X5J5F8_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5F8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5F8_MOUSE|X5J5F8
GAELARPGASVKLSCKASGYTFTDYYINWVKQRTGQGLEWIGEIYPGSGNTYYNEKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARWHPVYYAMDYWGQGTSVTVSS
					

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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	68.4	Low	90.9	Very high	77 Å²	77	74.4 Å²	74.4	79%	0.794	48%	0.478	S	S	*	.				0	-172.4	0	0	0	0	0	0	108.9	T106 S107	G1-T106 PolarHBondContact N-OG1 2.79Å; G1-T106 WeakPolarHBondContact O-CA 3.31Å; G1-T106 WeakPolarHBondContact O-CG2 3.5Å; G1-S107 PolarHBondContact O-N 2.96Å
2	A	83.7	Confident	91.4	Very high	84 Å²	84	77.9 Å²	77.9	69%	0.694	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.5	164.9	0	0	0	0	0	108.3	S107	A2-S107 CarbonylContact C-O 3.47Å; A2-S107 WeakPolarHBondContact CA-O 3.3Å
3	E	88.9	Confident	91.9	Very high	83 Å²	83	72.3 Å²	72.3	39%	0.388	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.2	179.9	-64.8	-64.8	158.4	0	0	109	V11 L13 T106 S107 V108 T109	E3-V11 HydrophobicContact CB-CG2 3.93Å; E3-V11 HydrophobicContact CG-CG2 3.92Å; E3-L13 HydrophobicContact CG-CD2 4.03Å; E3-T106 HydrophobicContact CG-CG2 3.99Å; E3-S107 PolarHBondContact N-O 3.38Å; E3-V108 HydrophobicContact CB-CG2 4.23Å; E3-V108 CarbonylContact O-C 3.52Å; E3-V108 WeakPolarHBondContact O-CA 3.48Å; E3-T109 PolarHBondContact O-N 3.36Å
4	L	91.3	Very high	92.3	Very high	132 Å²	132	72.6 Å²	72.6	69%	0.691	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	122	174.6	-176	65.9	0	0	0	109.1	T109	L4-T109 HydrophobicContact CD1-CG2 4.15Å
5	A	92.7	Very high	92.6	Very high	12 Å²	12	68.9 Å²	68.9	10%	0.099	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.7	-178.3	0	0	0	0	0	111.5	L79 T109 V110 S111	A5-L79 HydrophobicContact CB-CD1 3.52Å; A5-T109 PolarHBondContact N-O 3.1Å; A5-V110 VanDerWaalsContact O-CA 3.3Å; A5-V110 WeakPolarHBondContact O-CA 3.42Å; A5-S111 PolarHBondContact O-N 2.82Å; A5-S111 VanDerWaalsContact O-N 3.12Å
6	R	94.4	Very high	92.8	Very high	185 Å²	185	74.6 Å²	74.6	70%	0.698	45%	0.446	S	S	*	.			trans	-86.9	153.2	170.1	-66.8	-177.6	-178.8	178.1	0.2	110.2	G8 A9	R6-G8 PolarHBondContact O-N 3.12Å; R6-A9 WeakPolarHBondContact O-CB 3.43Å; R6-A9 PolarHBondContact O-N 3.22Å; R6-A9 VanDerWaalsContact O-N 3.09Å
7	P	95.9	Very high	92.8	Very high	74 Å²	74	70.9 Å²	70.9	48%	0.481	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.7	169.7	-26	34.2	0	0	0	111.8	A9 L79 V110 S111	P7-A9 PolarHBondContact O-N 2.93Å; P7-L79 CarbonylContact C-O 3.51Å; P7-L79 WeakPolarHBondContact CA-O 3.43Å; P7-V110 HydrophobicContact CG-CG1 4.16Å; P7-S111 WeakPolarHBondContact CD-O 2.84Å
8	G	94.8	Very high	92.7	Very high	54 Å²	54	71.9 Å²	71.9	56%	0.557	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-13.9	-176.7	0	0	0	0	0	115.1	R6 L79	R6-G8 PolarHBondContact O-N 3.12Å; G8-L79 PolarHBondContact N-O 2.77Å
9	A	96.3	Very high	92.6	Very high	37 Å²	37	72.8 Å²	72.8	31%	0.306	46%	0.462	S	S	.	.			trans	-70.2	171	176.1	0	0	0	0	0	112	R6 P7 S78 L79	R6-A9 WeakPolarHBondContact O-CB 3.43Å; R6-A9 PolarHBondContact O-N 3.22Å; R6-A9 VanDerWaalsContact O-N 3.09Å; P7-A9 PolarHBondContact O-N 2.93Å; A9-S78 PolarHBondContact O-N 2.81Å; A9-L79 WeakPolarHBondContact O-CB 3.3Å; A9-L79 VanDerWaalsContact O-CG 3.32Å; A9-L79 WeakPolarHBondContact O-CG 3.22Å; A9-L79 PolarHBondContact O-N 3.12Å
10	S	96.6	Very high	92.4	Very high	66 Å²	66	71.6 Å²	71.6	46%	0.462	45%	0.449	S	S	.	.			trans	-116.3	147.3	170.1	-56.2	0	0	0	0	110.2	L76	S10-L76 CarbonylContact C-O 3.58Å; S10-L76 WeakPolarHBondContact CA-O 3.43Å; S10-L76 WeakPolarHBondContact CB-O 3.33Å
11	V	96.9	Very high	92.5	Very high	14 Å²	14	72 Å²	72	9%	0.085	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.1	173.4	69.8	0	0	0	0	109.6	E3 L13 Q75 L76 L79 V108	E3-V11 HydrophobicContact CB-CG2 3.93Å; E3-V11 HydrophobicContact CG-CG2 3.92Å; V11-L13 HydrophobicContact CG1-CD2 4.5Å; V11-L13 HydrophobicContact CG2-CD2 3.96Å; V11-Q75 CarbonylContact O-C 3.4Å; V11-Q75 WeakPolarHBondContact O-CA 3.41Å; V11-L76 HydrophobicContact CG1-CB 4.07Å; V11-L76 HydrophobicContact CG1-CD1 4.25Å; V11-L76 PolarHBondContact N-O 2.8Å; V11-L76 PolarHBondContact O-N 2.98Å; V11-L79 HydrophobicContact CB-CD1 4.06Å; V11-L79 HydrophobicContact CG1-CD1 3.89Å; V11-L79 HydrophobicContact CG1-CD2 4.37Å; V11-V108 HydrophobicContact CG1-CG1 4.27Å; V11-V108 HydrophobicContact CG1-CG2 4.39Å
12	K	97.3	Very high	93.8	Very high	117 Å²	117	68.7 Å²	68.7	51%	0.509	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.7	175.9	-174.3	176.7	179.6	177.4	0	109.6	Y73 M74	K12-Y73 HydrophobicContact CD-CD1 4.4Å; K12-Y73 VanDerWaalsContact CE-CD1 3.45Å; K12-Y73 VanDerWaalsContact CE-CG 3.49Å; K12-Y73 HydrophobicContact CG-CD1 4.36Å; K12-M74 WeakPolarHBondContact CA-O 3.33Å
13	L	97.7	Very high	94.3	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.026	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	147	176	-53.8	-171.7	0	0	0	110	E3 V11 W29 Y73 M74 Y87 T106 V108	E3-L13 HydrophobicContact CG-CD2 4.03Å; V11-L13 HydrophobicContact CG1-CD2 4.5Å; V11-L13 HydrophobicContact CG2-CD2 3.96Å; L13-W29 HydrophobicContact CB-CH2 3.92Å; L13-W29 HydrophobicContact CB-CZ3 3.82Å; L13-W29 HydrophobicContact CD1-CZ3 4.41Å; L13-Y73 CarbonylContact O-C 3.6Å; L13-Y73 WeakPolarHBondContact O-CA 3.49Å; L13-Y73 WeakPolarHBondContact O-CB 3.35Å; L13-M74 HydrophobicContact CD1-CE 3.68Å; L13-M74 HydrophobicContact CG-CE 4.35Å; L13-M74 PolarHBondContact N-O 3.03Å; L13-M74 PolarHBondContact O-N 3.08Å; L13-Y87 VanDerWaalsContact CD1-CB 3.43Å; L13-Y87 HydrophobicContact CD1-CD1 4.46Å; L13-Y87 HydrophobicContact CD1-CD2 4.18Å; L13-Y87 HydrophobicContact CD1-CG 3.78Å; L13-T106 HydrophobicContact CD1-CG2 4.5Å; L13-T106 HydrophobicContact CD2-CG2 3.68Å; L13-V108 HydrophobicContact CD1-CG2 4.11Å; L13-V108 HydrophobicContact CD2-CG2 4.02Å
14	S	97.2	Very high	94.6	Very high	76 Å²	76	66.2 Å²	66.2	53%	0.531	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	148.2	177.6	64.4	0	0	0	0	111.5	A72	S14-A72 CarbonylContact C-O 3.57Å; S14-A72 WeakPolarHBondContact CA-O 3.49Å
15	C	96.6	Very high	94.7	Very high	18 Å²	18	62 Å²	62	12%	0.122	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	102.1	175.6	-179.4	0	0	0	0	108.4	W29 T71 A72 C89	C15-W29 HydrophobicContact CB-CH2 3.87Å; C15-W29 HydrophobicContact CB-CZ2 3.9Å; C15-T71 CarbonylContact O-C 3.59Å; C15-T71 WeakPolarHBondContact O-CA 2.99Å; C15-A72 HydrophobicContact CB-CB 4.4Å; C15-A72 PolarHBondContact N-O 2.93Å; C15-A72 PolarHBondContact O-N 2.84Å; C15-C89 HydrophobicContact CB-CB 3.47Å; C15-C89 VanDerWaalsContact CB-CB 3.47Å; C15-C89 WeakPolarHBondContact CB-SG 3.28Å; C15-C89 WeakPolarHBondContact SG-CB 3.26Å; C15-C89 CovalentContact SG-SG 2.03Å; C15-C89 PolarHBondContact SG-SG 3.38Å
16	K	95.9	Very high	94.8	Very high	159 Å²	159	63.6 Å²	63.6	69%	0.691	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.8	179.8	-173.9	172.1	-175.6	178.5	0	110	T71	K16-T71 HydrophobicContact CB-CG2 4.48Å
17	A	93.5	Very high	94.9	Very high	12 Å²	12	54.8 Å²	54.8	10%	0.099	34%	0.34	C	S	.	.			trans	-78.2	151.1	175	0	0	0	0	0	111.5	Y20 F22 S70	A17-Y20 HydrophobicContact CB-CE1 3.83Å; A17-Y20 HydrophobicContact CB-CE2 4.12Å; A17-Y20 VanDerWaalsContact CB-CZ 3.48Å; A17-Y20 VanDerWaalsContact CB-OH 3.28Å; A17-Y20 WeakPolarHBondContact CB-OH 3.38Å; A17-F22 HydrophobicContact CB-CB 4.11Å; A17-F22 HydrophobicContact CB-CD2 3.34Å; A17-F22 HydrophobicContact CB-CE2 4.02Å; A17-F22 HydrophobicContact CB-CG 4.04Å; A17-S70 WeakPolarHBondContact CB-O 3.47Å; A17-S70 PolarHBondContact N-O 3.26Å
18	S	91	Very high	95	Very high	89 Å²	89	51.4 Å²	51.4	62%	0.622	32%	0.318	S	S	*	.			trans	-150.3	144.9	174.1	64.6	0	0	0	0	109.9	Y20	S18-Y20 VanDerWaalsContact O-CD1 3.24Å; S18-Y20 WeakPolarHBondContact O-CD1 3.26Å
19	G	90.1	Very high	95.1	Very high	90 Å²	90	49 Å²	49	93%	0.928	29%	0.292	S	S	*	.	S	Bend	trans	78.9	12.6	174.8	0	0	0	0	0	116.3
20	Y	89.6	Confident	95.2	Very high	48 Å²	48	47.5 Å²	47.5	19%	0.188	28%	0.279	C	S	.	.	S	Bend	trans	-156.8	164.5	173.8	63.7	-86.2	0	0	0	112	A17 S18 F22 Y25 I27 R91	A17-Y20 HydrophobicContact CB-CE1 3.83Å; A17-Y20 HydrophobicContact CB-CE2 4.12Å; A17-Y20 VanDerWaalsContact CB-CZ 3.48Å; A17-Y20 VanDerWaalsContact CB-OH 3.28Å; A17-Y20 WeakPolarHBondContact CB-OH 3.38Å; S18-Y20 VanDerWaalsContact O-CD1 3.24Å; S18-Y20 WeakPolarHBondContact O-CD1 3.26Å; Y20-F22 HydrophobicContact CE2-CD2 4.43Å; Y20-F22 PolarHBondContact O-N 3.27Å; Y20-Y25 AromaticContact CD2-CD2 3.33Å; Y20-Y25 HydrophobicContact CD2-CD2 3.33Å; Y20-Y25 AromaticContact CD2-CE2 3.67Å; Y20-Y25 HydrophobicContact CD2-CE2 3.67Å; Y20-Y25 HydrophobicContact CD2-CG 4.14Å; Y20-Y25 AromaticContact CE2-CD2 3.74Å; Y20-Y25 HydrophobicContact CE2-CD2 3.74Å; Y20-Y25 HydrophobicContact CE2-CE2 4.49Å; Y20-Y25 HydrophobicContact CE2-CG 4.17Å; Y20-Y25 HydrophobicContact CG-CD2 4.35Å; Y20-Y25 HydrophobicContact CG-CE2 4.32Å; Y20-I27 WeakPolarHBondContact OH-CD1 3.3Å; Y20-R91 HydrophobicContact CE2-CG 4.3Å
21	T	94	Very high	95.2	Very high	81 Å²	81	44.5 Å²	44.5	50%	0.497	26%	0.257	S	S	.	.			trans	-70.3	97.3	173	-51.9	0	0	0	0	110	T23 D24 Y25	T21-T23 WeakPolarHBondContact CG2-OG1 3.35Å; T21-T23 PolarHBondContact O-N 2.92Å; T21-D24 VanDerWaalsContact CB-OD2 3.27Å; T21-D24 WeakPolarHBondContact CB-OD2 3.47Å; T21-D24 VanDerWaalsContact CG2-OD2 3.23Å; T21-D24 WeakPolarHBondContact CG2-OD2 3.47Å; T21-D24 PolarHBondContact O-N 2.75Å; T21-D24 VanDerWaalsContact O-N 3.09Å; T21-Y25 VanDerWaalsContact O-CD2 3.28Å; T21-Y25 WeakPolarHBondContact O-CD2 3.42Å
22	F	94.8	Very high	95.2	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.026	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-52.5	-32	-173.5	175.6	-117.5	0	0	0	114.7	A17 Y20 D24 I27 P46 A65 A72	A17-F22 HydrophobicContact CB-CB 4.11Å; A17-F22 HydrophobicContact CB-CD2 3.34Å; A17-F22 HydrophobicContact CB-CE2 4.02Å; A17-F22 HydrophobicContact CB-CG 4.04Å; Y20-F22 HydrophobicContact CE2-CD2 4.43Å; Y20-F22 PolarHBondContact O-N 3.27Å; F22-D24 VanDerWaalsContact C-N 3.26Å; F22-D24 PolarHBondContact O-N 2.81Å; F22-I27 HydrophobicContact CD2-CD1 4.19Å; F22-I27 HydrophobicContact CD2-CG1 4.38Å; F22-I27 HydrophobicContact CE2-CD1 3.84Å; F22-I27 HydrophobicContact CE2-CG1 3.62Å; F22-I27 HydrophobicContact CZ-CG1 4.29Å; F22-P46 HydrophobicContact CD1-CB 3.79Å; F22-P46 HydrophobicContact CD1-CG 4.08Å; F22-P46 HydrophobicContact CD2-CG 4.25Å; F22-P46 HydrophobicContact CE1-CB 3.43Å; F22-P46 VanDerWaalsContact CE1-CB 3.43Å; F22-P46 HydrophobicContact CE1-CG 3.61Å; F22-P46 HydrophobicContact CE2-CG 3.83Å; F22-P46 HydrophobicContact CG-CB 4.49Å; F22-P46 HydrophobicContact CG-CG 4.39Å; F22-P46 HydrophobicContact CZ-CB 3.85Å; F22-P46 HydrophobicContact CZ-CG 3.47Å; F22-P46 VanDerWaalsContact CZ-CG 3.47Å; F22-A65 HydrophobicContact CE1-CB 4.11Å; F22-A65 HydrophobicContact CZ-CB 4.18Å; F22-A72 HydrophobicContact CE2-CB 4.29Å; F22-A72 HydrophobicContact CZ-CB 3.95Å
23	T	95.6	Very high	95.1	Very high	43 Å²	43	44.3 Å²	44.3	26%	0.264	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-74.4	-10.7	-176.9	50.4	0	0	0	0	115.2	T21 Y45 G47 K67	T21-T23 WeakPolarHBondContact CG2-OG1 3.35Å; T21-T23 PolarHBondContact O-N 2.92Å; T23-Y45 VanDerWaalsContact O-CZ 3.24Å; T23-Y45 PolarHBondContact O-OH 3.09Å; T23-G47 WeakPolarHBondContact O-CA 3.4Å; T23-G47 PolarHBondContact O-N 3.15Å; T23-K67 HydrophobicContact CG2-CD 4.43Å; T23-K67 HydrophobicContact CG2-CG 4.14Å
24	D	93.8	Very high	94.6	Very high	73 Å²	73	51.1 Å²	51.1	39%	0.39	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-99	1.5	-172.1	-58.6	-8.1	0	0	0	112.6	T21 F22	T21-D24 VanDerWaalsContact CB-OD2 3.27Å; T21-D24 WeakPolarHBondContact CB-OD2 3.47Å; T21-D24 VanDerWaalsContact CG2-OD2 3.23Å; T21-D24 WeakPolarHBondContact CG2-OD2 3.47Å; T21-D24 PolarHBondContact O-N 2.75Å; T21-D24 VanDerWaalsContact O-N 3.09Å; F22-D24 VanDerWaalsContact C-N 3.26Å; F22-D24 PolarHBondContact O-N 2.81Å
25	Y	93.5	Very high	94.3	Very high	43 Å²	43	51.7 Å²	51.7	17%	0.169	32%	0.315	C	S	.	.	S	Bend	trans	-132.3	148	-172.6	-62	-85.7	0	0	0	112	Y20 T21 P46 R91 H93	Y20-Y25 AromaticContact CD2-CD2 3.33Å; Y20-Y25 HydrophobicContact CD2-CD2 3.33Å; Y20-Y25 AromaticContact CD2-CE2 3.67Å; Y20-Y25 HydrophobicContact CD2-CE2 3.67Å; Y20-Y25 HydrophobicContact CD2-CG 4.14Å; Y20-Y25 AromaticContact CE2-CD2 3.74Å; Y20-Y25 HydrophobicContact CE2-CD2 3.74Å; Y20-Y25 HydrophobicContact CE2-CE2 4.49Å; Y20-Y25 HydrophobicContact CE2-CG 4.17Å; Y20-Y25 HydrophobicContact CG-CD2 4.35Å; Y20-Y25 HydrophobicContact CG-CE2 4.32Å; T21-Y25 VanDerWaalsContact O-CD2 3.28Å; T21-Y25 WeakPolarHBondContact O-CD2 3.42Å; Y25-P46 WeakPolarHBondContact O-CD 3.35Å; Y25-R91 HydrophobicContact CD1-CG 4.06Å; Y25-R91 HydrophobicContact CG-CG 4.02Å; Y25-H93 HydrophobicContact CD1-CB 4.49Å; Y25-H93 HydrophobicContact CE1-CB 4.37Å; Y25-H93 AromaticContact CE1-CD2 3.41Å; Y25-H93 VanDerWaalsContact CE1-CD2 3.41Å; Y25-H93 WeakPolarHBondContact CE1-CD2 3.38Å; Y25-H93 AromaticContact CE1-CG 3.78Å; Y25-H93 AromaticContact CE1-NE2 3.67Å
26	Y	95	Very high	94.1	Very high	45 Å²	45	55.6 Å²	55.6	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140	169	-74.8	-101	0	0	0	110.1	E43 I44 Y45 Y52 W92	Y26-E43 HydrophobicContact CD1-CB 4.37Å; Y26-E43 VanDerWaalsContact CD1-CD 3.49Å; Y26-E43 HydrophobicContact CD1-CG 3.78Å; Y26-E43 HydrophobicContact CE1-CG 4.38Å; Y26-I44 WeakPolarHBondContact CA-O 3.34Å; Y26-Y45 HydrophobicContact CD1-CD2 4.37Å; Y26-Y45 AromaticContact CD2-CD2 3.59Å; Y26-Y45 HydrophobicContact CD2-CD2 3.59Å; Y26-Y45 HydrophobicContact CD2-CE2 4.28Å; Y26-Y45 HydrophobicContact CD2-CG 4.41Å; Y26-Y45 HydrophobicContact CE1-CD2 4.35Å; Y26-Y45 HydrophobicContact CE1-CG 4.26Å; Y26-Y45 AromaticContact CE2-CD2 3.54Å; Y26-Y45 HydrophobicContact CE2-CD2 3.54Å; Y26-Y45 HydrophobicContact CE2-CE2 4.17Å; Y26-Y45 HydrophobicContact CE2-CG 4.09Å; Y26-Y45 HydrophobicContact CG-CD2 4.03Å; Y26-Y45 AromaticContact CZ-CD2 3.94Å; Y26-Y52 HydrophobicContact CE1-CD2 4.29Å; Y26-Y52 HydrophobicContact CE1-CE2 4.16Å; Y26-W92 AromaticContact CD2-CE3 3.51Å; Y26-W92 HydrophobicContact CD2-CE3 3.51Å; Y26-W92 AromaticContact CD2-CZ3 3.54Å; Y26-W92 HydrophobicContact CD2-CZ3 3.54Å; Y26-W92 HydrophobicContact CE2-CE3 4.33Å; Y26-W92 AromaticContact CE2-CZ3 3.9Å; Y26-W92 HydrophobicContact CE2-CZ3 3.9Å; Y26-W92 HydrophobicContact CG-CE3 4.03Å; Y26-W92 HydrophobicContact CG-CZ3 4.41Å; Y26-W92 PolarHBondContact N-O 2.87Å; Y26-W92 PolarHBondContact O-N 2.92Å
27	I	97	Very high	94	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.6	171.5	-49.9	-60.1	0	0	0	108.2	Y20 F22 E43 I44 P46 A72 C89	Y20-I27 WeakPolarHBondContact OH-CD1 3.3Å; F22-I27 HydrophobicContact CD2-CD1 4.19Å; F22-I27 HydrophobicContact CD2-CG1 4.38Å; F22-I27 HydrophobicContact CE2-CD1 3.84Å; F22-I27 HydrophobicContact CE2-CG1 3.62Å; F22-I27 HydrophobicContact CZ-CG1 4.29Å; I27-E43 CarbonylContact O-C 3.6Å; I27-E43 VanDerWaalsContact O-CA 3.22Å; I27-E43 WeakPolarHBondContact O-CA 3.39Å; I27-I44 HydrophobicContact CB-CG2 4.09Å; I27-I44 PolarHBondContact N-O 3.33Å; I27-I44 PolarHBondContact O-N 3.46Å; I27-P46 HydrophobicContact CG1-CG 4.02Å; I27-A72 HydrophobicContact CB-CB 4.07Å; I27-A72 HydrophobicContact CG1-CB 4.17Å; I27-A72 HydrophobicContact CG2-CB 3.78Å; I27-C89 HydrophobicContact CG2-CB 4.18Å
28	N	97.4	Very high	94.1	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143.8	-179.7	-79.2	-101.2	0	0	0	110	W40 E43 C89 A90 W92 M99	N28-W40 PolarHBondContact OD1-NE1 2.81Å; N28-E43 HydrophobicContact CB-CB 4.47Å; N28-E43 PolarHBondContact ND2-OE2 3.3Å; N28-E43 PolarHBondContact OD1-OE2 2.79Å; N28-C89 CarbonylContact O-C 3.57Å; N28-C89 WeakPolarHBondContact O-CA 3.38Å; N28-A90 HydrophobicContact CB-CB 4.33Å; N28-A90 WeakPolarHBondContact CB-O 3.49Å; N28-A90 PolarHBondContact N-O 3.01Å; N28-A90 PolarHBondContact O-N 2.82Å; N28-W92 VanDerWaalsContact ND2-CB 3.3Å; N28-W92 WeakPolarHBondContact ND2-CB 3.44Å; N28-M99 HydrophobicContact CB-CE 3.87Å; N28-M99 HydrophobicContact CB-SD 4.26Å; N28-M99 VanDerWaalsContact CG-CE 3.5Å; N28-M99 WeakPolarHBondContact OD1-CE 3.43Å
29	W	98.1	Very high	94.3	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.015	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.3	173.7	-71.4	91.1	0	0	0	110	L13 C15 I41 G42 L63 A72 M74 F88 C89	L13-W29 HydrophobicContact CB-CH2 3.92Å; L13-W29 HydrophobicContact CB-CZ3 3.82Å; L13-W29 HydrophobicContact CD1-CZ3 4.41Å; C15-W29 HydrophobicContact CB-CH2 3.87Å; C15-W29 HydrophobicContact CB-CZ2 3.9Å; W29-I41 HydrophobicContact CB-CB 4.17Å; W29-I41 HydrophobicContact CB-CD1 4.31Å; W29-I41 WeakPolarHBondContact O-CB 3.16Å; W29-I41 PolarHBondContact O-N 2.93Å; W29-G42 PolarHBondContact N-O 3.14Å; W29-L63 HydrophobicContact CG-CD2 4.06Å; W29-A72 HydrophobicContact CZ2-CB 4.41Å; W29-M74 HydrophobicContact CB-SD 3.96Å; W29-M74 HydrophobicContact CD2-CB 3.58Å; W29-M74 HydrophobicContact CD2-CE 4.33Å; W29-M74 HydrophobicContact CD2-CG 4.42Å; W29-M74 HydrophobicContact CD2-SD 4.13Å; W29-M74 HydrophobicContact CE3-CB 3.86Å; W29-M74 HydrophobicContact CE3-CE 3.76Å; W29-M74 HydrophobicContact CE3-SD 4.14Å; W29-M74 HydrophobicContact CG-CB 4.08Å; W29-M74 HydrophobicContact CG-SD 4.07Å; W29-M74 HydrophobicContact CH2-CB 4.09Å; W29-M74 HydrophobicContact CZ2-CB 3.84Å; W29-M74 HydrophobicContact CZ3-CB 4.1Å; W29-M74 HydrophobicContact CZ3-CE 4.22Å; W29-F88 WeakPolarHBondContact CA-O 3.49Å; W29-C89 HydrophobicContact CD2-CB 4.41Å; W29-C89 HydrophobicContact CE3-CB 4.27Å; W29-C89 HydrophobicContact CH2-CB 4.39Å; W29-C89 HydrophobicContact CZ2-CB 4.5Å; W29-C89 HydrophobicContact CZ3-CB 4.27Å
30	V	97.8	Very high	94.7	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.2	-172.1	-175.4	0	0	0	0	109.5	L38 E39 Y87 F88 W102	V30-L38 HydrophobicContact CG1-CB 3.76Å; V30-L38 HydrophobicContact CG1-CD2 3.92Å; V30-L38 HydrophobicContact CG1-CG 4.29Å; V30-E39 CarbonylContact C-O 3.53Å; V30-E39 WeakPolarHBondContact CA-O 3.45Å; V30-Y87 CarbonylContact O-C 3.46Å; V30-Y87 WeakPolarHBondContact O-CA 3.47Å; V30-F88 HydrophobicContact CB-CB 4.47Å; V30-F88 PolarHBondContact N-O 2.86Å; V30-F88 PolarHBondContact O-N 2.86Å; V30-W102 HydrophobicContact CB-CH2 4.25Å; V30-W102 HydrophobicContact CB-CZ3 3.96Å; V30-W102 HydrophobicContact CG1-CH2 4.23Å; V30-W102 HydrophobicContact CG1-CZ3 4.14Å; V30-W102 HydrophobicContact CG2-CH2 3.83Å; V30-W102 HydrophobicContact CG2-CZ3 3.93Å
31	K	97.2	Very high	95.1	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.5	175.1	-177.4	-179.5	-177.6	179.2	0	109.6	E39 I41 F57 E82 D83 A85 Y87	K31-E39 HydrophobicContact CB-CB 4.33Å; K31-E39 PolarHBondContact N-O 3.04Å; K31-E39 PolarHBondContact O-N 2.88Å; K31-I41 HydrophobicContact CB-CD1 4Å; K31-I41 HydrophobicContact CB-CG1 4.16Å; K31-F57 HydrophobicContact CD-CE1 4.03Å; K31-F57 HydrophobicContact CD-CZ 4.01Å; K31-E82 WeakPolarHBondContact CE-O 3.32Å; K31-E82 PolarHBondContact NZ-O 2.87Å; K31-D83 IonicContact NZ-OD1 3.45Å; K31-D83 PolarHBondContact NZ-OD1 3.23Å; K31-A85 HydrophobicContact CD-CB 4.23Å; K31-A85 HydrophobicContact CG-CB 3.56Å; K31-Y87 HydrophobicContact CB-CD1 4.1Å; K31-Y87 HydrophobicContact CB-CE1 3.85Å; K31-Y87 HydrophobicContact CD-CE1 3.97Å; K31-Y87 WeakPolarHBondContact CE-OH 3.48Å; K31-Y87 HydrophobicContact CG-CD1 4.28Å; K31-Y87 HydrophobicContact CG-CE1 3.72Å
32	Q	97.1	Very high	95.2	Very high	77 Å²	77	45.3 Å²	45.3	36%	0.36	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	114.4	170.3	-167	-179.4	26.3	0	0	110.2	L38 A85 V86 F88	Q32-L38 HydrophobicContact CB-CD2 3.82Å; Q32-L38 HydrophobicContact CG-CD2 3.89Å; Q32-A85 WeakPolarHBondContact O-CA 3.24Å; Q32-A85 VanDerWaalsContact O-CB 3.31Å; Q32-A85 WeakPolarHBondContact O-CB 3.49Å; Q32-V86 PolarHBondContact N-O 3.05Å; Q32-V86 PolarHBondContact O-N 2.98Å; Q32-F88 HydrophobicContact CB-CD2 4.37Å; Q32-F88 HydrophobicContact CB-CE2 3.76Å
33	R	94.4	Very high	95.3	Very high	51 Å²	51	46.6 Å²	46.6	19%	0.192	27%	0.266	C	S	.	.			trans	-86.9	148	169.6	-64.1	-177.6	-128.1	-160.2	-3.3	109.7	G35 Q36 E39 E82 A85	R33-G35 PolarHBondContact O-N 2.84Å; R33-Q36 HydrophobicContact CB-CB 4.04Å; R33-Q36 HydrophobicContact CB-CG 4.02Å; R33-Q36 PolarHBondContact O-N 2.87Å; R33-E39 IonicContact CZ-OE1 3.39Å; R33-E39 IonicContact NE-OE1 2.84Å; R33-E39 PolarHBondContact NE-OE1 2.89Å; R33-E39 VanDerWaalsContact NE-OE1 3.15Å; R33-E39 IonicContact NH2-OE1 3.15Å; R33-E39 PolarHBondContact NH2-OE1 3.18Å; R33-E39 IonicContact NH2-OE2 3.45Å; R33-E82 IonicContact NH1-OE2 2.92Å; R33-A85 HydrophobicContact CG-CB 4.08Å
34	T	87.9	Confident	95.4	Very high	147 Å²	147	44.8 Å²	44.8	90%	0.902	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	124.8	175.1	-49.9	0	0	0	0	110.1	Q36	T34-Q36 VanDerWaalsContact C-N 3.27Å; T34-Q36 PolarHBondContact O-N 2.84Å
35	G	89.9	Confident	95.6	Very high	88 Å²	88	44.2 Å²	44.2	91%	0.907	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.7	5.7	-179	0	0	0	0	0	115.5	R33	R33-G35 PolarHBondContact O-N 2.84Å
36	Q	92.6	Very high	95.8	Very high	101 Å²	101	42.3 Å²	42.3	47%	0.472	24%	0.24	S	C	.	.	S	Bend	trans	-116.3	161.8	175.3	-56	-172.1	11.2	0	0	111.6	R33 T34	R33-Q36 HydrophobicContact CB-CB 4.04Å; R33-Q36 HydrophobicContact CB-CG 4.02Å; R33-Q36 PolarHBondContact O-N 2.87Å; T34-Q36 VanDerWaalsContact C-N 3.27Å; T34-Q36 PolarHBondContact O-N 2.84Å
37	G	93.1	Very high	95.8	Very high	56 Å²	56	41.4 Å²	41.4	58%	0.577	24%	0.244	S	C	*	.			trans	-68	174	173.3	0	0	0	0	0	113.1
38	L	95.4	Very high	95.7	Very high	94 Å²	94	44.5 Å²	44.5	49%	0.492	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.1	173	-64.9	176.3	0	0	0	110.2	V30 Q32 W102	V30-L38 HydrophobicContact CG1-CB 3.76Å; V30-L38 HydrophobicContact CG1-CD2 3.92Å; V30-L38 HydrophobicContact CG1-CG 4.29Å; Q32-L38 HydrophobicContact CB-CD2 3.82Å; Q32-L38 HydrophobicContact CG-CD2 3.89Å; L38-W102 HydrophobicContact CD1-CH2 3.92Å; L38-W102 HydrophobicContact CD1-CZ3 4.34Å
39	E	96.8	Very high	95.7	Very high	31 Å²	31	46.2 Å²	46.2	15%	0.145	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.4	173.6	-61.9	-168.2	-93.2	0	0	109.3	V30 K31 R33 I41 K56 F57	V30-E39 CarbonylContact C-O 3.53Å; V30-E39 WeakPolarHBondContact CA-O 3.45Å; K31-E39 HydrophobicContact CB-CB 4.33Å; K31-E39 PolarHBondContact N-O 3.04Å; K31-E39 PolarHBondContact O-N 2.88Å; R33-E39 IonicContact CZ-OE1 3.39Å; R33-E39 IonicContact NE-OE1 2.84Å; R33-E39 PolarHBondContact NE-OE1 2.89Å; R33-E39 VanDerWaalsContact NE-OE1 3.15Å; R33-E39 IonicContact NH2-OE1 3.15Å; R33-E39 PolarHBondContact NH2-OE1 3.18Å; R33-E39 IonicContact NH2-OE2 3.45Å; E39-I41 PolarHBondContact O-N 2.94Å; E39-K56 IonicContact OE2-NZ 3.15Å; E39-K56 PolarHBondContact OE2-NZ 2.83Å; E39-F57 HydrophobicContact CB-CE2 4.48Å; E39-F57 HydrophobicContact CB-CZ 4.45Å
40	W	96.9	Very high	95.6	Very high	81 Å²	81	50 Å²	50	31%	0.307	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.8	173.9	-178.1	79.5	0	0	0	110.7	N28 G42 E43 N54	N28-W40 PolarHBondContact OD1-NE1 2.81Å; W40-G42 VanDerWaalsContact CZ2-C 3.48Å; W40-G42 VanDerWaalsContact CZ2-CA 3.42Å; W40-E43 HydrophobicContact CZ2-CB 4.09Å; W40-E43 HydrophobicContact CZ2-CG 3.93Å; W40-N54 HydrophobicContact CE3-CB 3.77Å; W40-N54 HydrophobicContact CZ3-CB 3.98Å; W40-N54 VanDerWaalsContact O-CB 3.24Å; W40-N54 WeakPolarHBondContact O-CB 3.43Å; W40-N54 PolarHBondContact O-ND2 3.4Å
41	I	98.1	Very high	95.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-46.1	-177.6	-59.7	175.1	0	0	0	110.4	W29 K31 E39 N54 F57 A61 M74 Y87	W29-I41 HydrophobicContact CB-CB 4.17Å; W29-I41 HydrophobicContact CB-CD1 4.31Å; W29-I41 WeakPolarHBondContact O-CB 3.16Å; W29-I41 PolarHBondContact O-N 2.93Å; K31-I41 HydrophobicContact CB-CD1 4Å; K31-I41 HydrophobicContact CB-CG1 4.16Å; E39-I41 PolarHBondContact O-N 2.94Å; I41-N54 WeakPolarHBondContact O-CB 3.32Å; I41-N54 PolarHBondContact O-N 2.89Å; I41-F57 HydrophobicContact CB-CD2 4.28Å; I41-F57 HydrophobicContact CB-CG 4.24Å; I41-F57 HydrophobicContact CG1-CD1 4.2Å; I41-F57 HydrophobicContact CG1-CD2 4.27Å; I41-F57 HydrophobicContact CG1-CE1 4.08Å; I41-F57 HydrophobicContact CG1-CE2 4.14Å; I41-F57 HydrophobicContact CG1-CG 4.28Å; I41-F57 HydrophobicContact CG1-CZ 4.05Å; I41-F57 HydrophobicContact CG2-CB 3.75Å; I41-F57 HydrophobicContact CG2-CD1 4.03Å; I41-F57 HydrophobicContact CG2-CD2 4.29Å; I41-F57 HydrophobicContact CG2-CG 3.77Å; I41-A61 HydrophobicContact CG2-CB 3.76Å; I41-M74 HydrophobicContact CD1-CE 4.02Å; I41-M74 HydrophobicContact CD1-SD 3.58Å; I41-M74 VanDerWaalsContact CD1-SD 3.58Å; I41-M74 HydrophobicContact CG2-SD 3.96Å; I41-Y87 HydrophobicContact CD1-CD1 3.69Å; I41-Y87 HydrophobicContact CD1-CE1 3.75Å
42	G	97.6	Very high	95.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	177.1	-171.9	0	0	0	0	0	111.5	W29 W40 Y52	W29-G42 PolarHBondContact N-O 3.14Å; W40-G42 VanDerWaalsContact CZ2-C 3.48Å; W40-G42 VanDerWaalsContact CZ2-CA 3.42Å; G42-Y52 CarbonylContact C-O 3.51Å; G42-Y52 WeakPolarHBondContact CA-O 3.44Å
43	E	97.1	Very high	95.6	Very high	34 Å²	34	57.1 Å²	57.1	16%	0.159	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159	176.4	68.8	-175.4	167.8	0	0	112.1	Y26 I27 N28 W40 T51 Y52	Y26-E43 HydrophobicContact CD1-CB 4.37Å; Y26-E43 VanDerWaalsContact CD1-CD 3.49Å; Y26-E43 HydrophobicContact CD1-CG 3.78Å; Y26-E43 HydrophobicContact CE1-CG 4.38Å; I27-E43 CarbonylContact O-C 3.6Å; I27-E43 VanDerWaalsContact O-CA 3.22Å; I27-E43 WeakPolarHBondContact O-CA 3.39Å; N28-E43 HydrophobicContact CB-CB 4.47Å; N28-E43 PolarHBondContact ND2-OE2 3.3Å; N28-E43 PolarHBondContact OD1-OE2 2.79Å; W40-E43 HydrophobicContact CZ2-CB 4.09Å; W40-E43 HydrophobicContact CZ2-CG 3.93Å; E43-T51 VanDerWaalsContact O-CA 3.26Å; E43-T51 WeakPolarHBondContact O-CA 3.02Å; E43-Y52 HydrophobicContact CG-CD2 4.17Å; E43-Y52 PolarHBondContact N-O 2.8Å; E43-Y52 PolarHBondContact O-N 3.26Å
44	I	97.8	Very high	95.7	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.5	173.1	-175.5	166.2	0	0	0	110.1	Y26 I27 P46 N50 T51 L63 T64 A65 A72	Y26-I44 WeakPolarHBondContact CA-O 3.34Å; I27-I44 HydrophobicContact CB-CG2 4.09Å; I27-I44 PolarHBondContact N-O 3.33Å; I27-I44 PolarHBondContact O-N 3.46Å; I44-P46 WeakPolarHBondContact O-CD 3.17Å; I44-N50 CarbonylContact C-O 3.58Å; I44-N50 WeakPolarHBondContact CA-O 3.24Å; I44-T51 HydrophobicContact CB-CG2 3.96Å; I44-T51 HydrophobicContact CD1-CG2 3.91Å; I44-T51 HydrophobicContact CG1-CG2 3.79Å; I44-L63 HydrophobicContact CB-CB 4.21Å; I44-T64 VanDerWaalsContact CD1-C 3.44Å; I44-A65 HydrophobicContact CD1-CB 3.85Å; I44-A72 HydrophobicContact CG2-CB 4.37Å
45	Y	96.9	Very high	96.1	Very high	62 Å²	62	56.1 Å²	56.1	24%	0.243	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	105.7	166	-170.9	-115.2	0	0	0	109.4	T23 Y26 G47 S48 G49 N50	T23-Y45 VanDerWaalsContact O-CZ 3.24Å; T23-Y45 PolarHBondContact O-OH 3.09Å; Y26-Y45 HydrophobicContact CD1-CD2 4.37Å; Y26-Y45 AromaticContact CD2-CD2 3.59Å; Y26-Y45 HydrophobicContact CD2-CD2 3.59Å; Y26-Y45 HydrophobicContact CD2-CE2 4.28Å; Y26-Y45 HydrophobicContact CD2-CG 4.41Å; Y26-Y45 HydrophobicContact CE1-CD2 4.35Å; Y26-Y45 HydrophobicContact CE1-CG 4.26Å; Y26-Y45 AromaticContact CE2-CD2 3.54Å; Y26-Y45 HydrophobicContact CE2-CD2 3.54Å; Y26-Y45 HydrophobicContact CE2-CE2 4.17Å; Y26-Y45 HydrophobicContact CE2-CG 4.09Å; Y26-Y45 HydrophobicContact CG-CD2 4.03Å; Y26-Y45 AromaticContact CZ-CD2 3.94Å; Y45-G47 PolarHBondContact O-N 2.82Å; Y45-S48 WeakPolarHBondContact CD1-OG 3.26Å; Y45-S48 PolarHBondContact O-N 3.47Å; Y45-G49 WeakPolarHBondContact O-CA 3.18Å; Y45-G49 PolarHBondContact O-N 2.89Å; Y45-N50 PolarHBondContact N-O 3.33Å
46	P	96.8	Very high	96.3	Very high	2 Å²	2	59 Å²	59	1%	0.013	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-27.5	-173.8	-22.9	35.6	0	0	0	113.2	F22 Y25 I27 I44 A65 K67	F22-P46 HydrophobicContact CD1-CB 3.79Å; F22-P46 HydrophobicContact CD1-CG 4.08Å; F22-P46 HydrophobicContact CD2-CG 4.25Å; F22-P46 HydrophobicContact CE1-CB 3.43Å; F22-P46 VanDerWaalsContact CE1-CB 3.43Å; F22-P46 HydrophobicContact CE1-CG 3.61Å; F22-P46 HydrophobicContact CE2-CG 3.83Å; F22-P46 HydrophobicContact CG-CB 4.49Å; F22-P46 HydrophobicContact CG-CG 4.39Å; F22-P46 HydrophobicContact CZ-CB 3.85Å; F22-P46 HydrophobicContact CZ-CG 3.47Å; F22-P46 VanDerWaalsContact CZ-CG 3.47Å; Y25-P46 WeakPolarHBondContact O-CD 3.35Å; I27-P46 HydrophobicContact CG1-CG 4.02Å; I44-P46 WeakPolarHBondContact O-CD 3.17Å; P46-A65 HydrophobicContact CB-CB 3.85Å; P46-A65 HydrophobicContact CG-CB 4.21Å; P46-K67 WeakPolarHBondContact O-CE 2.99Å
47	G	95.8	Very high	96.5	Very high	26 Å²	26	54.8 Å²	54.8	27%	0.268	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-49.6	178.8	0	0	0	0	0	113.2	T23 Y45 K67	T23-G47 WeakPolarHBondContact O-CA 3.4Å; T23-G47 PolarHBondContact O-N 3.15Å; Y45-G47 PolarHBondContact O-N 2.82Å; G47-K67 WeakPolarHBondContact O-CE 3.44Å; G47-K67 PolarHBondContact O-NZ 3.29Å
48	S	95.8	Very high	96.5	Very high	67 Å²	67	58 Å²	58	47%	0.469	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-18.3	-179.7	67.7	0	0	0	0	114.4	Y45 N50	Y45-S48 WeakPolarHBondContact CD1-OG 3.26Å; Y45-S48 PolarHBondContact O-N 3.47Å; S48-N50 VanDerWaalsContact C-N 3.29Å; S48-N50 WeakPolarHBondContact OG-CB 3.41Å; S48-N50 PolarHBondContact OG-N 3.48Å; S48-N50 PolarHBondContact OG-ND2 2.69Å; S48-N50 VanDerWaalsContact OG-ND2 3.1Å; S48-N50 PolarHBondContact OG-OD1 3.39Å
49	G	95.7	Very high	96.4	Very high	39 Å²	39	57.3 Å²	57.3	40%	0.402	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	6.5	-170.2	0	0	0	0	0	114	Y45 T51	Y45-G49 WeakPolarHBondContact O-CA 3.18Å; Y45-G49 PolarHBondContact O-N 2.89Å; G49-T51 PolarHBondContact O-N 2.69Å
50	N	96.6	Very high	96.4	Very high	84 Å²	84	57.8 Å²	57.8	45%	0.449	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	137	177.1	-71	-10.5	0	0	0	110.6	I44 Y45 S48	I44-N50 CarbonylContact C-O 3.58Å; I44-N50 WeakPolarHBondContact CA-O 3.24Å; Y45-N50 PolarHBondContact N-O 3.33Å; S48-N50 VanDerWaalsContact C-N 3.29Å; S48-N50 WeakPolarHBondContact OG-CB 3.41Å; S48-N50 PolarHBondContact OG-N 3.48Å; S48-N50 PolarHBondContact OG-ND2 2.69Å; S48-N50 VanDerWaalsContact OG-ND2 3.1Å; S48-N50 PolarHBondContact OG-OD1 3.39Å
51	T	97.9	Very high	96.5	Very high	50 Å²	50	54.1 Å²	54.1	31%	0.307	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.2	179.1	51.9	0	0	0	0	110.7	E43 I44 G49 Y53 L63	E43-T51 VanDerWaalsContact O-CA 3.26Å; E43-T51 WeakPolarHBondContact O-CA 3.02Å; I44-T51 HydrophobicContact CB-CG2 3.96Å; I44-T51 HydrophobicContact CD1-CG2 3.91Å; I44-T51 HydrophobicContact CG1-CG2 3.79Å; G49-T51 PolarHBondContact O-N 2.69Å; T51-Y53 WeakPolarHBondContact OG1-CE2 3.12Å; T51-L63 HydrophobicContact CG2-CB 3.93Å
52	Y	97	Very high	96.5	Very high	119 Å²	119	57.3 Å²	57.3	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.5	170.5	-62.2	-82.3	0	0	0	108.5	Y26 G42 E43	Y26-Y52 HydrophobicContact CE1-CD2 4.29Å; Y26-Y52 HydrophobicContact CE1-CE2 4.16Å; G42-Y52 CarbonylContact C-O 3.51Å; G42-Y52 WeakPolarHBondContact CA-O 3.44Å; E43-Y52 HydrophobicContact CG-CD2 4.17Å; E43-Y52 PolarHBondContact N-O 2.8Å; E43-Y52 PolarHBondContact O-N 3.26Å
53	Y	97.8	Very high	96.5	Very high	63 Å²	63	57.7 Å²	57.7	25%	0.247	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.1	-176.2	-65.4	-90.8	0	0	0	110.1	T51 A61 L63	T51-Y53 WeakPolarHBondContact OG1-CE2 3.12Å; Y53-A61 HydrophobicContact CE1-CB 4.36Å; Y53-A61 WeakPolarHBondContact CE1-O 3.35Å; Y53-L63 HydrophobicContact CE1-CD1 4.07Å; Y53-L63 HydrophobicContact CE1-CG 3.71Å; Y53-L63 PolarHBondContact OH-N 2.82Å
54	N	97.1	Very high	96.6	Very high	46 Å²	46	59 Å²	59	25%	0.246	33%	0.325	C	S	.	.			trans	-70.1	134.4	156.6	-177.1	-29.8	0	0	0	108.6	W40 I41 K56 F57 K58	W40-N54 HydrophobicContact CE3-CB 3.77Å; W40-N54 HydrophobicContact CZ3-CB 3.98Å; W40-N54 VanDerWaalsContact O-CB 3.24Å; W40-N54 WeakPolarHBondContact O-CB 3.43Å; W40-N54 PolarHBondContact O-ND2 3.4Å; I41-N54 WeakPolarHBondContact O-CB 3.32Å; I41-N54 PolarHBondContact O-N 2.89Å; N54-K56 PolarHBondContact O-N 3.07Å; N54-K56 VanDerWaalsContact O-N 3.08Å; N54-K56 PolarHBondContact OD1-N 2.84Å; N54-K56 VanDerWaalsContact OD1-N 3.07Å; N54-F57 HydrophobicContact CB-CD2 4.03Å; N54-F57 PolarHBondContact O-N 2.83Å; N54-K58 PolarHBondContact O-N 2.93Å
55	E	95.8	Very high	96.6	Very high	131 Å²	131	60.4 Å²	60.4	61%	0.612	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-54.6	-31.4	-178.5	-69.5	-61.2	141.8	0	0	112.8	F57 K58	E55-F57 PolarHBondContact O-N 2.89Å; E55-K58 WeakPolarHBondContact O-CB 3.2Å; E55-K58 PolarHBondContact O-N 3.27Å; E55-K58 IonicContact OE1-NZ 3.21Å; E55-K58 PolarHBondContact OE1-NZ 3.29Å; E55-K58 WeakPolarHBondContact OE2-CD 3.39Å; E55-K58 IonicContact OE2-NZ 2.69Å; E55-K58 PolarHBondContact OE2-NZ 3.31Å; E55-K58 VanDerWaalsContact OE2-NZ 3.15Å
56	K	94.1	Very high	96.6	Very high	150 Å²	150	60 Å²	60	65%	0.652	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-60.6	-29.3	175	-69.8	-176.6	177.6	-179.6	0	114.3	E39 N54	E39-K56 IonicContact OE2-NZ 3.15Å; E39-K56 PolarHBondContact OE2-NZ 2.83Å; N54-K56 PolarHBondContact O-N 3.07Å; N54-K56 VanDerWaalsContact O-N 3.08Å; N54-K56 PolarHBondContact OD1-N 2.84Å; N54-K56 VanDerWaalsContact OD1-N 3.07Å
57	F	95.9	Very high	96.6	Very high	11 Å²	11	65.6 Å²	65.6	5%	0.048	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-108.5	-2.3	-174.1	-64.3	-85.2	0	0	0	112.8	K31 E39 I41 N54 E55 G59 K60 A61	K31-F57 HydrophobicContact CD-CE1 4.03Å; K31-F57 HydrophobicContact CD-CZ 4.01Å; E39-F57 HydrophobicContact CB-CE2 4.48Å; E39-F57 HydrophobicContact CB-CZ 4.45Å; I41-F57 HydrophobicContact CB-CD2 4.28Å; I41-F57 HydrophobicContact CB-CG 4.24Å; I41-F57 HydrophobicContact CG1-CD1 4.2Å; I41-F57 HydrophobicContact CG1-CD2 4.27Å; I41-F57 HydrophobicContact CG1-CE1 4.08Å; I41-F57 HydrophobicContact CG1-CE2 4.14Å; I41-F57 HydrophobicContact CG1-CG 4.28Å; I41-F57 HydrophobicContact CG1-CZ 4.05Å; I41-F57 HydrophobicContact CG2-CB 3.75Å; I41-F57 HydrophobicContact CG2-CD1 4.03Å; I41-F57 HydrophobicContact CG2-CD2 4.29Å; I41-F57 HydrophobicContact CG2-CG 3.77Å; N54-F57 HydrophobicContact CB-CD2 4.03Å; N54-F57 PolarHBondContact O-N 2.83Å; E55-F57 PolarHBondContact O-N 2.89Å; F57-G59 PolarHBondContact O-N 2.96Å; F57-K60 WeakPolarHBondContact O-CB 3.37Å; F57-K60 PolarHBondContact O-N 3.12Å; F57-A61 HydrophobicContact CB-CB 4.34Å; F57-A61 PolarHBondContact O-N 3.3Å
58	K	94.4	Very high	96.6	Very high	125 Å²	125	69.4 Å²	69.4	54%	0.543	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-61.8	126.2	175.4	-160.4	174.5	-170.6	170.9	0	109.4	N54 E55 K60	N54-K58 PolarHBondContact O-N 2.93Å; E55-K58 WeakPolarHBondContact O-CB 3.2Å; E55-K58 PolarHBondContact O-N 3.27Å; E55-K58 IonicContact OE1-NZ 3.21Å; E55-K58 PolarHBondContact OE1-NZ 3.29Å; E55-K58 WeakPolarHBondContact OE2-CD 3.39Å; E55-K58 IonicContact OE2-NZ 2.69Å; E55-K58 PolarHBondContact OE2-NZ 3.31Å; E55-K58 VanDerWaalsContact OE2-NZ 3.15Å; K58-K60 PolarHBondContact O-N 2.96Å
59	G	93.8	Very high	96.6	Very high	78 Å²	78	68 Å²	68	80%	0.804	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-14.7	-173.8	0	0	0	0	0	115.1	F57	F57-G59 PolarHBondContact O-N 2.96Å
60	K	96.1	Very high	96.7	Very high	42 Å²	42	68 Å²	68	18%	0.183	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-43.8	173.1	-173.8	78.1	178.9	-162.6	0	111.8	F57 K58 L76 S77 S78 D83	F57-K60 WeakPolarHBondContact O-CB 3.37Å; F57-K60 PolarHBondContact O-N 3.12Å; K58-K60 PolarHBondContact O-N 2.96Å; K60-L76 HydrophobicContact CG-CD2 4.48Å; K60-S77 WeakPolarHBondContact CD-O 2.97Å; K60-S77 WeakPolarHBondContact CE-O 3.19Å; K60-S77 PolarHBondContact NZ-O 2.91Å; K60-S77 PolarHBondContact O-N 2.86Å; K60-S78 PolarHBondContact NZ-O 2.75Å; K60-D83 WeakPolarHBondContact CE-OD2 3.38Å; K60-D83 IonicContact NZ-OD2 3.53Å; K60-D83 PolarHBondContact NZ-OD2 3.48Å
61	A	97.9	Very high	96.7	Very high	4 Å²	4	64.5 Å²	64.5	3%	0.033	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.1	-179.5	0	0	0	0	0	111	I41 Y53 F57 M74 Q75 L76	I41-A61 HydrophobicContact CG2-CB 3.76Å; Y53-A61 HydrophobicContact CE1-CB 4.36Å; Y53-A61 WeakPolarHBondContact CE1-O 3.35Å; F57-A61 HydrophobicContact CB-CB 4.34Å; F57-A61 PolarHBondContact O-N 3.3Å; A61-M74 HydrophobicContact CB-CG 4.39Å; A61-M74 HydrophobicContact CB-SD 4.45Å; A61-Q75 CarbonylContact C-O 3.56Å; A61-Q75 WeakPolarHBondContact CA-O 3.5Å; A61-L76 HydrophobicContact CB-CD2 4.03Å
62	T	98.4	Very high	96.7	Very high	67 Å²	67	62.1 Å²	62.1	41%	0.411	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.7	168.6	-61.1	0	0	0	0	108.9	T64 M74 Q75	T62-T64 HydrophobicContact CG2-CG2 4.32Å; T62-M74 WeakPolarHBondContact O-CA 3.37Å; T62-Q75 PolarHBondContact N-O 2.78Å; T62-Q75 PolarHBondContact O-N 2.03Å
63	L	98.6	Very high	96.8	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.9	-179.6	-52.9	-175.8	0	0	0	110.3	W29 I44 T51 Y53 Y73 M74	W29-L63 HydrophobicContact CG-CD2 4.06Å; I44-L63 HydrophobicContact CB-CB 4.21Å; T51-L63 HydrophobicContact CG2-CB 3.93Å; Y53-L63 HydrophobicContact CE1-CD1 4.07Å; Y53-L63 HydrophobicContact CE1-CG 3.71Å; Y53-L63 PolarHBondContact OH-N 2.82Å; L63-Y73 WeakPolarHBondContact CA-O 3.49Å; L63-M74 HydrophobicContact CD2-CB 3.69Å; L63-M74 HydrophobicContact CD2-CG 3.63Å; L63-M74 HydrophobicContact CD2-SD 4.26Å
64	T	98.3	Very high	96.8	Very high	60 Å²	60	55.9 Å²	55.9	37%	0.368	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.6	177.1	56.7	0	0	0	0	110.5	I44 T62 A72 Y73	I44-T64 VanDerWaalsContact CD1-C 3.44Å; T62-T64 HydrophobicContact CG2-CG2 4.32Å; T64-A72 CarbonylContact O-C 3.58Å; T64-A72 WeakPolarHBondContact O-CA 3.48Å; T64-Y73 PolarHBondContact N-O 3.21Å; T64-Y73 PolarHBondContact O-N 2.69Å
65	A	98.1	Very high	96.9	Very high	34 Å²	34	57.5 Å²	57.5	28%	0.281	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.9	176.3	0	0	0	0	0	110.8	F22 I44 P46 T71	F22-A65 HydrophobicContact CE1-CB 4.11Å; F22-A65 HydrophobicContact CZ-CB 4.18Å; I44-A65 HydrophobicContact CD1-CB 3.85Å; P46-A65 HydrophobicContact CB-CB 3.85Å; P46-A65 HydrophobicContact CG-CB 4.21Å; A65-T71 WeakPolarHBondContact CA-O 3.42Å
66	D	97.5	Very high	97	Very high	54 Å²	54	51.2 Å²	51.2	29%	0.289	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	111.4	169.6	175.4	7.9	0	0	0	109	S68 S69 S70 T71 Y73	D66-S68 VanDerWaalsContact C-N 3.32Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 2.88Å; D66-S68 PolarHBondContact OD1-OG 2.97Å; D66-S68 PolarHBondContact OD2-OG 2.92Å; D66-S69 WeakPolarHBondContact CB-OG 3.19Å; D66-S69 PolarHBondContact OD1-N 2.9Å; D66-S69 WeakPolarHBondContact OD2-CB 3.49Å; D66-S69 PolarHBondContact OD2-OG 2.9Å; D66-S70 WeakPolarHBondContact O-CA 3.28Å; D66-S70 PolarHBondContact O-N 3.25Å; D66-T71 PolarHBondContact N-O 3.33Å; D66-T71 PolarHBondContact O-N 2.97Å; D66-Y73 HydrophobicContact CB-CE2 3.96Å
67	K	96	Very high	97.1	Very high	119 Å²	119	45.5 Å²	45.5	52%	0.517	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-35.6	-179.6	-63.2	175.2	174.7	179.3	0	111.6	T23 P46 G47 S70	T23-K67 HydrophobicContact CG2-CD 4.43Å; T23-K67 HydrophobicContact CG2-CG 4.14Å; P46-K67 WeakPolarHBondContact O-CE 2.99Å; G47-K67 WeakPolarHBondContact O-CE 3.44Å; G47-K67 PolarHBondContact O-NZ 3.29Å; K67-S70 PolarHBondContact O-N 3.08Å
68	S	95.3	Very high	97.1	Very high	107 Å²	107	48.8 Å²	48.8	75%	0.748	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-40.3	-175.1	71.4	0	0	0	0	111.9	D66	D66-S68 VanDerWaalsContact C-N 3.32Å; D66-S68 WeakPolarHBondContact OD1-CB 3.46Å; D66-S68 PolarHBondContact OD1-N 2.88Å; D66-S68 PolarHBondContact OD1-OG 2.97Å; D66-S68 PolarHBondContact OD2-OG 2.92Å
69	S	96.8	Very high	97.2	Very high	37 Å²	37	42.9 Å²	42.9	26%	0.259	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1	177.2	64.8	0	0	0	0	113.7	D66 T71	D66-S69 WeakPolarHBondContact CB-OG 3.19Å; D66-S69 PolarHBondContact OD1-N 2.9Å; D66-S69 WeakPolarHBondContact OD2-CB 3.49Å; D66-S69 PolarHBondContact OD2-OG 2.9Å; S69-T71 PolarHBondContact O-N 3.2Å; S69-T71 PolarHBondContact O-OG1 3.39Å; S69-T71 WeakPolarHBondContact OG-CB 2.97Å; S69-T71 PolarHBondContact OG-OG1 3.15Å
70	S	97.1	Very high	97.3	Very high	40 Å²	40	42 Å²	42	28%	0.28	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	44.2	-174.2	-64.4	0	0	0	0	112.6	A17 D66 K67	A17-S70 WeakPolarHBondContact CB-O 3.47Å; A17-S70 PolarHBondContact N-O 3.26Å; D66-S70 WeakPolarHBondContact O-CA 3.28Å; D66-S70 PolarHBondContact O-N 3.25Å; K67-S70 PolarHBondContact O-N 3.08Å
71	T	98.1	Very high	97.2	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.5	-172.9	-57.5	0	0	0	0	110.9	C15 K16 A65 D66 S69 Y73	C15-T71 CarbonylContact O-C 3.59Å; C15-T71 WeakPolarHBondContact O-CA 2.99Å; K16-T71 HydrophobicContact CB-CG2 4.48Å; A65-T71 WeakPolarHBondContact CA-O 3.42Å; D66-T71 PolarHBondContact N-O 3.33Å; D66-T71 PolarHBondContact O-N 2.97Å; S69-T71 PolarHBondContact O-N 3.2Å; S69-T71 PolarHBondContact O-OG1 3.39Å; S69-T71 WeakPolarHBondContact OG-CB 2.97Å; S69-T71 PolarHBondContact OG-OG1 3.15Å; T71-Y73 HydrophobicContact CG2-CD1 4.26Å; T71-Y73 HydrophobicContact CG2-CD2 4.38Å; T71-Y73 HydrophobicContact CG2-CE1 3.65Å; T71-Y73 HydrophobicContact CG2-CE2 3.77Å; T71-Y73 WeakPolarHBondContact CG2-OH 3.18Å; T71-Y73 WeakPolarHBondContact O-CE2 3.5Å
72	A	98	Very high	97	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	149.2	168	0	0	0	0	0	109.8	S14 C15 F22 I27 W29 I44 T64	S14-A72 CarbonylContact C-O 3.57Å; S14-A72 WeakPolarHBondContact CA-O 3.49Å; C15-A72 HydrophobicContact CB-CB 4.4Å; C15-A72 PolarHBondContact N-O 2.93Å; C15-A72 PolarHBondContact O-N 2.84Å; F22-A72 HydrophobicContact CE2-CB 4.29Å; F22-A72 HydrophobicContact CZ-CB 3.95Å; I27-A72 HydrophobicContact CB-CB 4.07Å; I27-A72 HydrophobicContact CG1-CB 4.17Å; I27-A72 HydrophobicContact CG2-CB 3.78Å; W29-A72 HydrophobicContact CZ2-CB 4.41Å; I44-A72 HydrophobicContact CG2-CB 4.37Å; T64-A72 CarbonylContact O-C 3.58Å; T64-A72 WeakPolarHBondContact O-CA 3.48Å
73	Y	98.3	Very high	96.8	Very high	52 Å²	52	47.2 Å²	47.2	20%	0.204	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.6	176.7	-55	-89.4	0	0	0	111	K12 L13 L63 T64 D66 T71	K12-Y73 HydrophobicContact CD-CD1 4.4Å; K12-Y73 VanDerWaalsContact CE-CD1 3.45Å; K12-Y73 VanDerWaalsContact CE-CG 3.49Å; K12-Y73 HydrophobicContact CG-CD1 4.36Å; L13-Y73 CarbonylContact O-C 3.6Å; L13-Y73 WeakPolarHBondContact O-CA 3.49Å; L13-Y73 WeakPolarHBondContact O-CB 3.35Å; L63-Y73 WeakPolarHBondContact CA-O 3.49Å; T64-Y73 PolarHBondContact N-O 3.21Å; T64-Y73 PolarHBondContact O-N 2.69Å; D66-Y73 HydrophobicContact CB-CE2 3.96Å; T71-Y73 HydrophobicContact CG2-CD1 4.26Å; T71-Y73 HydrophobicContact CG2-CD2 4.38Å; T71-Y73 HydrophobicContact CG2-CE1 3.65Å; T71-Y73 HydrophobicContact CG2-CE2 3.77Å; T71-Y73 WeakPolarHBondContact CG2-OH 3.18Å; T71-Y73 WeakPolarHBondContact O-CE2 3.5Å
74	M	98.3	Very high	96.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.2	166.2	175.7	-178.5	67.9	0	0	108.5	K12 L13 W29 I41 A61 T62 L63 L76 Y87	K12-M74 WeakPolarHBondContact CA-O 3.33Å; L13-M74 HydrophobicContact CD1-CE 3.68Å; L13-M74 HydrophobicContact CG-CE 4.35Å; L13-M74 PolarHBondContact N-O 3.03Å; L13-M74 PolarHBondContact O-N 3.08Å; W29-M74 HydrophobicContact CB-SD 3.96Å; W29-M74 HydrophobicContact CD2-CB 3.58Å; W29-M74 HydrophobicContact CD2-CE 4.33Å; W29-M74 HydrophobicContact CD2-CG 4.42Å; W29-M74 HydrophobicContact CD2-SD 4.13Å; W29-M74 HydrophobicContact CE3-CB 3.86Å; W29-M74 HydrophobicContact CE3-CE 3.76Å; W29-M74 HydrophobicContact CE3-SD 4.14Å; W29-M74 HydrophobicContact CG-CB 4.08Å; W29-M74 HydrophobicContact CG-SD 4.07Å; W29-M74 HydrophobicContact CH2-CB 4.09Å; W29-M74 HydrophobicContact CZ2-CB 3.84Å; W29-M74 HydrophobicContact CZ3-CB 4.1Å; W29-M74 HydrophobicContact CZ3-CE 4.22Å; I41-M74 HydrophobicContact CD1-CE 4.02Å; I41-M74 HydrophobicContact CD1-SD 3.58Å; I41-M74 VanDerWaalsContact CD1-SD 3.58Å; I41-M74 HydrophobicContact CG2-SD 3.96Å; A61-M74 HydrophobicContact CB-CG 4.39Å; A61-M74 HydrophobicContact CB-SD 4.45Å; T62-M74 WeakPolarHBondContact O-CA 3.37Å; L63-M74 HydrophobicContact CD2-CB 3.69Å; L63-M74 HydrophobicContact CD2-CG 3.63Å; L63-M74 HydrophobicContact CD2-SD 4.26Å; M74-L76 HydrophobicContact CE-CD1 3.8Å; M74-L76 HydrophobicContact CE-CD2 4.3Å; M74-L76 HydrophobicContact CE-CG 3.93Å; M74-L76 HydrophobicContact CG-CD2 4.49Å; M74-L76 HydrophobicContact CG-CG 4.35Å; M74-L76 HydrophobicContact SD-CD2 4.09Å; M74-L76 HydrophobicContact SD-CG 4.25Å; M74-Y87 HydrophobicContact CE-CD1 3.6Å; M74-Y87 HydrophobicContact CE-CE1 4.13Å; M74-Y87 HydrophobicContact CE-CG 4.2Å
75	Q	98.2	Very high	96.7	Very high	79 Å²	79	46.2 Å²	46.2	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	125	167.9	-177.6	172.2	-9.5	0	0	109.4	V11 A61 T62	V11-Q75 CarbonylContact O-C 3.4Å; V11-Q75 WeakPolarHBondContact O-CA 3.41Å; A61-Q75 CarbonylContact C-O 3.56Å; A61-Q75 WeakPolarHBondContact CA-O 3.5Å; T62-Q75 PolarHBondContact N-O 2.78Å; T62-Q75 PolarHBondContact O-N 2.03Å
76	L	97.5	Very high	96.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.3	171	-67.5	166.7	0	0	0	108.5	S10 V11 K60 A61 M74 L79 Y87	S10-L76 CarbonylContact C-O 3.58Å; S10-L76 WeakPolarHBondContact CA-O 3.43Å; S10-L76 WeakPolarHBondContact CB-O 3.33Å; V11-L76 HydrophobicContact CG1-CB 4.07Å; V11-L76 HydrophobicContact CG1-CD1 4.25Å; V11-L76 PolarHBondContact N-O 2.8Å; V11-L76 PolarHBondContact O-N 2.98Å; K60-L76 HydrophobicContact CG-CD2 4.48Å; A61-L76 HydrophobicContact CB-CD2 4.03Å; M74-L76 HydrophobicContact CE-CD1 3.8Å; M74-L76 HydrophobicContact CE-CD2 4.3Å; M74-L76 HydrophobicContact CE-CG 3.93Å; M74-L76 HydrophobicContact CG-CD2 4.49Å; M74-L76 HydrophobicContact CG-CG 4.35Å; M74-L76 HydrophobicContact SD-CD2 4.09Å; M74-L76 HydrophobicContact SD-CG 4.25Å; L76-L79 HydrophobicContact CB-CD2 3.82Å; L76-L79 HydrophobicContact CD1-CD2 4.39Å; L76-Y87 HydrophobicContact CD1-CD1 4.17Å; L76-Y87 HydrophobicContact CD1-CE1 3.52Å; L76-Y87 HydrophobicContact CD1-CE2 4.15Å; L76-Y87 VanDerWaalsContact CD1-CZ 3.49Å
77	S	96.9	Very high	96.7	Very high	30 Å²	30	44.4 Å²	44.4	21%	0.21	26%	0.26	C	S	.	.			trans	-107.2	156.6	-177.1	-59.6	0	0	0	0	111.9	K60 L79	K60-S77 WeakPolarHBondContact CD-O 2.97Å; K60-S77 WeakPolarHBondContact CE-O 3.19Å; K60-S77 PolarHBondContact NZ-O 2.91Å; K60-S77 PolarHBondContact O-N 2.86Å; S77-L79 VanDerWaalsContact C-N 3.33Å; S77-L79 PolarHBondContact O-N 2.86Å
78	S	96.1	Very high	96.8	Very high	79 Å²	79	40.3 Å²	40.3	55%	0.552	24%	0.242	S	C	*	.	S	Bend	trans	52.6	47.7	172.9	-52.8	0	0	0	0	113.1	A9 K60	A9-S78 PolarHBondContact O-N 2.81Å; K60-S78 PolarHBondContact NZ-O 2.75Å
79	L	96.5	Very high	96.8	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.211	C	C	.	.			trans	-55.7	140.7	-171.7	-72	170.5	0	0	0	112.9	A5 P7 G8 A9 V11 L76 S77 D83 V110	A5-L79 HydrophobicContact CB-CD1 3.52Å; P7-L79 CarbonylContact C-O 3.51Å; P7-L79 WeakPolarHBondContact CA-O 3.43Å; G8-L79 PolarHBondContact N-O 2.77Å; A9-L79 WeakPolarHBondContact O-CB 3.3Å; A9-L79 VanDerWaalsContact O-CG 3.32Å; A9-L79 WeakPolarHBondContact O-CG 3.22Å; A9-L79 PolarHBondContact O-N 3.12Å; V11-L79 HydrophobicContact CB-CD1 4.06Å; V11-L79 HydrophobicContact CG1-CD1 3.89Å; V11-L79 HydrophobicContact CG1-CD2 4.37Å; L76-L79 HydrophobicContact CB-CD2 3.82Å; L76-L79 HydrophobicContact CD1-CD2 4.39Å; S77-L79 VanDerWaalsContact C-N 3.33Å; S77-L79 PolarHBondContact O-N 2.86Å; L79-D83 WeakPolarHBondContact CA-OD2 3.5Å; L79-D83 HydrophobicContact CD2-CB 3.65Å; L79-V110 HydrophobicContact CB-CG1 4.15Å; L79-V110 HydrophobicContact CB-CG2 3.96Å; L79-V110 HydrophobicContact CD1-CG2 4.24Å; L79-V110 HydrophobicContact CD2-CG2 4.41Å; L79-V110 HydrophobicContact CG-CG2 4.44Å
80	T	95.6	Very high	96.8	Very high	60 Å²	60	34.2 Å²	34.2	37%	0.368	20%	0.199	S	C	.	.			trans	-119.6	169.5	172.3	67.2	0	0	0	0	110.2	E82 D83 V110	T80-E82 PolarHBondContact O-N 2.87Å; T80-E82 VanDerWaalsContact O-N 3.14Å; T80-D83 PolarHBondContact N-OD2 2.95Å; T80-D83 WeakPolarHBondContact O-CB 3.26Å; T80-D83 PolarHBondContact O-N 3.25Å; T80-D83 PolarHBondContact OG1-OD2 3.05Å; T80-V110 WeakPolarHBondContact O-CB 3.34Å; T80-V110 WeakPolarHBondContact O-CG2 3.46Å
81	S	94.1	Very high	96.6	Very high	87 Å²	87	34.5 Å²	34.5	61%	0.608	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-55.1	-31.4	175.3	51.3	0	0	0	0	112.5	D83 S84	S81-D83 PolarHBondContact O-N 3.24Å; S81-S84 VanDerWaalsContact O-CB 3.3Å; S81-S84 WeakPolarHBondContact O-CB 3.38Å; S81-S84 PolarHBondContact O-N 2.84Å; S81-S84 VanDerWaalsContact O-N 3.08Å; S81-S84 PolarHBondContact O-OG 2.85Å
82	E	92.9	Very high	96.3	Very high	125 Å²	125	36.8 Å²	36.8	58%	0.584	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-66.7	-17.4	176.5	-60.8	-171	-175.4	0	0	114.1	K31 R33 T80	K31-E82 WeakPolarHBondContact CE-O 3.32Å; K31-E82 PolarHBondContact NZ-O 2.87Å; R33-E82 IonicContact NH1-OE2 2.92Å; T80-E82 PolarHBondContact O-N 2.87Å; T80-E82 VanDerWaalsContact O-N 3.14Å
83	D	95.4	Very high	95.5	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-81.1	-3	173.7	-63.2	-47.8	0	0	0	113	K31 K60 L79 T80 S81 A85 Y87 V110	K31-D83 IonicContact NZ-OD1 3.45Å; K31-D83 PolarHBondContact NZ-OD1 3.23Å; K60-D83 WeakPolarHBondContact CE-OD2 3.38Å; K60-D83 IonicContact NZ-OD2 3.53Å; K60-D83 PolarHBondContact NZ-OD2 3.48Å; L79-D83 WeakPolarHBondContact CA-OD2 3.5Å; L79-D83 HydrophobicContact CD2-CB 3.65Å; T80-D83 PolarHBondContact N-OD2 2.95Å; T80-D83 WeakPolarHBondContact O-CB 3.26Å; T80-D83 PolarHBondContact O-N 3.25Å; T80-D83 PolarHBondContact OG1-OD2 3.05Å; S81-D83 PolarHBondContact O-N 3.24Å; D83-A85 PolarHBondContact O-N 2.83Å; D83-A85 VanDerWaalsContact O-N 3.12Å; D83-Y87 WeakPolarHBondContact O-CE2 3.48Å; D83-Y87 PolarHBondContact O-OH 3.04Å; D83-V110 HydrophobicContact CB-CG2 4.23Å
84	S	96.6	Very high	94.4	Very high	41 Å²	41	37.6 Å²	37.6	29%	0.287	21%	0.211	S	C	.	.			trans	-67.7	111.4	171.7	-57.4	0	0	0	0	110.4	S81 V108 V110	S81-S84 VanDerWaalsContact O-CB 3.3Å; S81-S84 WeakPolarHBondContact O-CB 3.38Å; S81-S84 PolarHBondContact O-N 2.84Å; S81-S84 VanDerWaalsContact O-N 3.08Å; S81-S84 PolarHBondContact O-OG 2.85Å; S84-V108 CarbonylContact C-O 3.53Å; S84-V108 VanDerWaalsContact CA-O 3.26Å; S84-V108 WeakPolarHBondContact CA-O 3.36Å; S84-V110 PolarHBondContact OG-N 3.22Å
85	A	97.3	Very high	93.5	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	170.3	-172.3	0	0	0	0	0	111.2	K31 Q32 R33 D83 Y87 V108	K31-A85 HydrophobicContact CD-CB 4.23Å; K31-A85 HydrophobicContact CG-CB 3.56Å; Q32-A85 WeakPolarHBondContact O-CA 3.24Å; Q32-A85 VanDerWaalsContact O-CB 3.31Å; Q32-A85 WeakPolarHBondContact O-CB 3.49Å; R33-A85 HydrophobicContact CG-CB 4.08Å; D83-A85 PolarHBondContact O-N 2.83Å; D83-A85 VanDerWaalsContact O-N 3.12Å; A85-Y87 HydrophobicContact CB-CD2 4.3Å; A85-Y87 HydrophobicContact CB-CE2 3.77Å; A85-V108 PolarHBondContact N-O 3.18Å; A85-V108 PolarHBondContact O-N 3.38Å
86	V	97.6	Very high	92.4	Very high	47 Å²	47	46.7 Å²	46.7	29%	0.285	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.5	162.2	-171.9	0	0	0	0	108.6	Q32 F88	Q32-V86 PolarHBondContact N-O 3.05Å; Q32-V86 PolarHBondContact O-N 2.98Å; V86-F88 HydrophobicContact CB-CE2 3.84Å; V86-F88 HydrophobicContact CB-CZ 3.96Å; V86-F88 HydrophobicContact CG1-CD2 4.29Å; V86-F88 HydrophobicContact CG1-CE1 3.85Å; V86-F88 HydrophobicContact CG1-CE2 3.58Å; V86-F88 HydrophobicContact CG1-CZ 3.33Å
87	Y	97.9	Very high	91.5	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.7	179.9	-70.2	-91.1	0	0	0	110.1	L13 V30 K31 I41 M74 L76 D83 A85 G105 T106 V108	L13-Y87 VanDerWaalsContact CD1-CB 3.43Å; L13-Y87 HydrophobicContact CD1-CD1 4.46Å; L13-Y87 HydrophobicContact CD1-CD2 4.18Å; L13-Y87 HydrophobicContact CD1-CG 3.78Å; V30-Y87 CarbonylContact O-C 3.46Å; V30-Y87 WeakPolarHBondContact O-CA 3.47Å; K31-Y87 HydrophobicContact CB-CD1 4.1Å; K31-Y87 HydrophobicContact CB-CE1 3.85Å; K31-Y87 HydrophobicContact CD-CE1 3.97Å; K31-Y87 WeakPolarHBondContact CE-OH 3.48Å; K31-Y87 HydrophobicContact CG-CD1 4.28Å; K31-Y87 HydrophobicContact CG-CE1 3.72Å; I41-Y87 HydrophobicContact CD1-CD1 3.69Å; I41-Y87 HydrophobicContact CD1-CE1 3.75Å; M74-Y87 HydrophobicContact CE-CD1 3.6Å; M74-Y87 HydrophobicContact CE-CE1 4.13Å; M74-Y87 HydrophobicContact CE-CG 4.2Å; L76-Y87 HydrophobicContact CD1-CD1 4.17Å; L76-Y87 HydrophobicContact CD1-CE1 3.52Å; L76-Y87 HydrophobicContact CD1-CE2 4.15Å; L76-Y87 VanDerWaalsContact CD1-CZ 3.49Å; D83-Y87 WeakPolarHBondContact O-CE2 3.48Å; D83-Y87 PolarHBondContact O-OH 3.04Å; A85-Y87 HydrophobicContact CB-CD2 4.3Å; A85-Y87 HydrophobicContact CB-CE2 3.77Å; Y87-G105 CarbonylContact O-C 3.59Å; Y87-G105 VanDerWaalsContact O-CA 3.26Å; Y87-G105 WeakPolarHBondContact O-CA 3.23Å; Y87-T106 PolarHBondContact N-O 3.26Å; Y87-T106 PolarHBondContact O-N 3.3Å; Y87-V108 HydrophobicContact CD2-CB 3.94Å; Y87-V108 HydrophobicContact CD2-CG2 3.58Å; Y87-V108 HydrophobicContact CE2-CB 3.77Å; Y87-V108 HydrophobicContact CE2-CG2 3.83Å
88	F	97.5	Very high	90.7	Very high	32 Å²	32	55.9 Å²	55.9	14%	0.14	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	147.8	-179.2	-57.9	-86.6	0	0	0	110.1	W29 V30 Q32 V86 W102 G103 G105	W29-F88 WeakPolarHBondContact CA-O 3.49Å; V30-F88 HydrophobicContact CB-CB 4.47Å; V30-F88 PolarHBondContact N-O 2.86Å; V30-F88 PolarHBondContact O-N 2.86Å; Q32-F88 HydrophobicContact CB-CD2 4.37Å; Q32-F88 HydrophobicContact CB-CE2 3.76Å; V86-F88 HydrophobicContact CB-CE2 3.84Å; V86-F88 HydrophobicContact CB-CZ 3.96Å; V86-F88 HydrophobicContact CG1-CD2 4.29Å; V86-F88 HydrophobicContact CG1-CE1 3.85Å; V86-F88 HydrophobicContact CG1-CE2 3.58Å; V86-F88 HydrophobicContact CG1-CZ 3.33Å; F88-W102 HydrophobicContact CB-CE3 3.79Å; F88-W102 HydrophobicContact CB-CZ3 3.93Å; F88-W102 HydrophobicContact CG-CE3 4.22Å; F88-W102 HydrophobicContact CG-CZ3 4.39Å; F88-G103 WeakPolarHBondContact CD1-O 3.42Å; F88-G105 VanDerWaalsContact CD1-CA 3.43Å
89	C	96.8	Very high	90.1	Very high	14 Å²	14	55.3 Å²	55.3	10%	0.095	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	146.2	157.6	63.2	0	0	0	0	109.3	C15 I27 N28 W29 G103	C15-C89 HydrophobicContact CB-CB 3.47Å; C15-C89 VanDerWaalsContact CB-CB 3.47Å; C15-C89 WeakPolarHBondContact CB-SG 3.28Å; C15-C89 WeakPolarHBondContact SG-CB 3.26Å; C15-C89 CovalentContact SG-SG 2.03Å; C15-C89 PolarHBondContact SG-SG 3.38Å; I27-C89 HydrophobicContact CG2-CB 4.18Å; N28-C89 CarbonylContact O-C 3.57Å; N28-C89 WeakPolarHBondContact O-CA 3.38Å; W29-C89 HydrophobicContact CD2-CB 4.41Å; W29-C89 HydrophobicContact CE3-CB 4.27Å; W29-C89 HydrophobicContact CH2-CB 4.39Å; W29-C89 HydrophobicContact CZ2-CB 4.5Å; W29-C89 HydrophobicContact CZ3-CB 4.27Å; C89-G103 PolarHBondContact O-N 3.09Å
90	A	95.8	Very high	89.4	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.017	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.4	175.2	0	0	0	0	0	110.4	N28 M99 Y101 W102	N28-A90 HydrophobicContact CB-CB 4.33Å; N28-A90 WeakPolarHBondContact CB-O 3.49Å; N28-A90 PolarHBondContact N-O 3.01Å; N28-A90 PolarHBondContact O-N 2.82Å; A90-M99 HydrophobicContact CB-CB 4.27Å; A90-M99 HydrophobicContact CB-CG 4.4Å; A90-M99 HydrophobicContact CB-SD 4.1Å; A90-Y101 CarbonylContact C-O 3.58Å; A90-Y101 WeakPolarHBondContact CA-O 3.43Å; A90-W102 HydrophobicContact CB-CD2 3.72Å; A90-W102 HydrophobicContact CB-CE3 4.05Å; A90-W102 HydrophobicContact CB-CG 4.12Å; A90-W102 HydrophobicContact CB-CH2 4.38Å; A90-W102 HydrophobicContact CB-CZ2 4.09Å; A90-W102 HydrophobicContact CB-CZ3 4.37Å
91	R	94.1	Very high	89.1	Confident	47 Å²	47	61.7 Å²	61.7	18%	0.177	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	134.2	169.5	-176.8	-176	70.9	-176.8	5.7	108.4	Y20 Y25 M99 D100 Y101	Y20-R91 HydrophobicContact CE2-CG 4.3Å; Y25-R91 HydrophobicContact CD1-CG 4.06Å; Y25-R91 HydrophobicContact CG-CG 4.02Å; R91-M99 CarbonylContact O-C 3.58Å; R91-M99 VanDerWaalsContact O-CA 3.26Å; R91-M99 WeakPolarHBondContact O-CA 3.27Å; R91-D100 IonicContact CZ-OD1 3.94Å; R91-D100 IonicContact CZ-OD2 3.98Å; R91-D100 IonicContact NE-OD1 2.86Å; R91-D100 PolarHBondContact NE-OD1 3.3Å; R91-D100 IonicContact NE-OD2 3.59Å; R91-D100 IonicContact NH2-OD1 2.69Å; R91-D100 PolarHBondContact NH2-OD1 3.34Å; R91-D100 IonicContact NH2-OD2 3.33Å; R91-D100 PolarHBondContact NH2-OD2 2.77Å; R91-D100 PolarHBondContact O-N 2.6Å; R91-Y101 PolarHBondContact N-O 2.66Å
92	W	90.2	Very high	89.1	Confident	56 Å²	56	61.7 Å²	61.7	21%	0.212	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.6	168.7	177.9	87.5	0	0	0	110.8	Y26 N28 P94 Y97 A98 M99	Y26-W92 AromaticContact CD2-CE3 3.51Å; Y26-W92 HydrophobicContact CD2-CE3 3.51Å; Y26-W92 AromaticContact CD2-CZ3 3.54Å; Y26-W92 HydrophobicContact CD2-CZ3 3.54Å; Y26-W92 HydrophobicContact CE2-CE3 4.33Å; Y26-W92 AromaticContact CE2-CZ3 3.9Å; Y26-W92 HydrophobicContact CE2-CZ3 3.9Å; Y26-W92 HydrophobicContact CG-CE3 4.03Å; Y26-W92 HydrophobicContact CG-CZ3 4.41Å; Y26-W92 PolarHBondContact N-O 2.87Å; Y26-W92 PolarHBondContact O-N 2.92Å; N28-W92 VanDerWaalsContact ND2-CB 3.3Å; N28-W92 WeakPolarHBondContact ND2-CB 3.44Å; W92-P94 HydrophobicContact CE3-CB 4.3Å; W92-P94 HydrophobicContact CH2-CB 4Å; W92-P94 VanDerWaalsContact CZ3-CA 3.44Å; W92-P94 HydrophobicContact CZ3-CB 3.59Å; W92-Y97 HydrophobicContact CH2-CD1 4.39Å; W92-Y97 AromaticContact CZ2-CD1 3.74Å; W92-Y97 HydrophobicContact CZ2-CD1 3.74Å; W92-Y97 HydrophobicContact CZ2-CE1 4.36Å; W92-Y97 HydrophobicContact CZ2-CG 4.46Å; W92-A98 WeakPolarHBondContact CA-O 3.35Å; W92-M99 HydrophobicContact CB-CG 4.48Å
93	H	82	Confident	89.2	Confident	23 Å²	23	56.6 Å²	56.6	11%	0.106	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.8	-178	-163.6	-58.1	0	0	0	110.8	Y25 V95 Y96 Y97 A98 D100	Y25-H93 HydrophobicContact CD1-CB 4.49Å; Y25-H93 HydrophobicContact CE1-CB 4.37Å; Y25-H93 AromaticContact CE1-CD2 3.41Å; Y25-H93 VanDerWaalsContact CE1-CD2 3.41Å; Y25-H93 WeakPolarHBondContact CE1-CD2 3.38Å; Y25-H93 AromaticContact CE1-CG 3.78Å; Y25-H93 AromaticContact CE1-NE2 3.67Å; H93-V95 VanDerWaalsContact C-N 3.29Å; H93-V95 PolarHBondContact ND1-N 3.49Å; H93-V95 PolarHBondContact O-N 3.07Å; H93-Y96 HydrophobicContact CB-CD2 4.15Å; H93-Y96 AromaticContact CD2-CD2 3.59Å; H93-Y96 AromaticContact CD2-CE2 3.86Å; H93-Y96 AromaticContact CE1-CD2 3.51Å; H93-Y96 AromaticContact CE1-CE2 3.52Å; H93-Y96 AromaticContact CG-CD2 3.45Å; H93-Y96 VanDerWaalsContact CG-CD2 3.45Å; H93-Y96 AromaticContact ND1-CD2 3.37Å; H93-Y96 WeakPolarHBondContact ND1-CD2 3.34Å; H93-Y96 AromaticContact ND1-CE2 3.89Å; H93-Y96 AromaticContact NE2-CD2 3.66Å; H93-Y96 AromaticContact NE2-CE2 3.49Å; H93-Y96 WeakPolarHBondContact NE2-CE2 3.38Å; H93-Y96 PolarHBondContact O-N 2.96Å; H93-Y97 WeakPolarHBondContact O-CA 2.94Å; H93-Y97 PolarHBondContact O-N 3.34Å; H93-A98 PolarHBondContact N-O 3.05Å; H93-D100 IonicContact CD2-OD2 3.78Å
94	P	74.3	Confident	89.1	Confident	46 Å²	46	64.8 Å²	64.8	30%	0.299	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.6	-173.7	20.4	-30.1	0	0	0	114.2	W92	W92-P94 HydrophobicContact CE3-CB 4.3Å; W92-P94 HydrophobicContact CH2-CB 4Å; W92-P94 VanDerWaalsContact CZ3-CA 3.44Å; W92-P94 HydrophobicContact CZ3-CB 3.59Å
95	V	79.2	Confident	89.1	Confident	101 Å²	101	63.9 Å²	63.9	61%	0.612	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-39.7	178.1	-175.3	0	0	0	0	113	H93	H93-V95 VanDerWaalsContact C-N 3.29Å; H93-V95 PolarHBondContact ND1-N 3.49Å; H93-V95 PolarHBondContact O-N 3.07Å
96	Y	76.8	Confident	89.1	Confident	170 Å²	170	64.9 Å²	64.9	67%	0.667	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-3.7	-175.1	-57.1	-61.1	0	0	0	113	H93 A98	H93-Y96 HydrophobicContact CB-CD2 4.15Å; H93-Y96 AromaticContact CD2-CD2 3.59Å; H93-Y96 AromaticContact CD2-CE2 3.86Å; H93-Y96 AromaticContact CE1-CD2 3.51Å; H93-Y96 AromaticContact CE1-CE2 3.52Å; H93-Y96 AromaticContact CG-CD2 3.45Å; H93-Y96 VanDerWaalsContact CG-CD2 3.45Å; H93-Y96 AromaticContact ND1-CD2 3.37Å; H93-Y96 WeakPolarHBondContact ND1-CD2 3.34Å; H93-Y96 AromaticContact ND1-CE2 3.89Å; H93-Y96 AromaticContact NE2-CD2 3.66Å; H93-Y96 AromaticContact NE2-CE2 3.49Å; H93-Y96 WeakPolarHBondContact NE2-CE2 3.38Å; H93-Y96 PolarHBondContact O-N 2.96Å; Y96-A98 PolarHBondContact O-N 3.28Å; Y96-A98 VanDerWaalsContact O-N 3.12Å
97	Y	77.6	Confident	89	Confident	181 Å²	181	64.8 Å²	64.8	71%	0.71	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	32.8	-176.9	-61.2	-88.9	0	0	0	113.4	W92 H93	W92-Y97 HydrophobicContact CH2-CD1 4.39Å; W92-Y97 AromaticContact CZ2-CD1 3.74Å; W92-Y97 HydrophobicContact CZ2-CD1 3.74Å; W92-Y97 HydrophobicContact CZ2-CE1 4.36Å; W92-Y97 HydrophobicContact CZ2-CG 4.46Å; H93-Y97 WeakPolarHBondContact O-CA 2.94Å; H93-Y97 PolarHBondContact O-N 3.34Å
98	A	80.3	Confident	89	Confident	41 Å²	41	64.6 Å²	64.6	34%	0.339	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.9	-170.6	0	0	0	0	0	112.4	W92 H93 Y96 D100	W92-A98 WeakPolarHBondContact CA-O 3.35Å; H93-A98 PolarHBondContact N-O 3.05Å; Y96-A98 PolarHBondContact O-N 3.28Å; Y96-A98 VanDerWaalsContact O-N 3.12Å; A98-D100 PolarHBondContact O-N 3.5Å
99	M	83.8	Confident	88.9	Confident	67 Å²	67	66 Å²	66	33%	0.33	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	83.4	165	-67.5	-172.8	-170.5	0	0	109.2	N28 A90 R91 W92 W102	N28-M99 HydrophobicContact CB-CE 3.87Å; N28-M99 HydrophobicContact CB-SD 4.26Å; N28-M99 VanDerWaalsContact CG-CE 3.5Å; N28-M99 WeakPolarHBondContact OD1-CE 3.43Å; A90-M99 HydrophobicContact CB-CB 4.27Å; A90-M99 HydrophobicContact CB-CG 4.4Å; A90-M99 HydrophobicContact CB-SD 4.1Å; R91-M99 CarbonylContact O-C 3.58Å; R91-M99 VanDerWaalsContact O-CA 3.26Å; R91-M99 WeakPolarHBondContact O-CA 3.27Å; W92-M99 HydrophobicContact CB-CG 4.48Å; M99-W102 HydrophobicContact CB-CZ2 4.13Å; M99-W102 PolarHBondContact O-NE1 2.9Å; M99-W102 HydrophobicContact SD-CH2 4.25Å; M99-W102 HydrophobicContact SD-CZ2 3.78Å
100	D	82.5	Confident	88.9	Confident	68 Å²	68	65.8 Å²	65.8	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-21.6	-166.2	59.8	-3.6	0	0	0	114	R91 H93 A98	R91-D100 IonicContact CZ-OD1 3.94Å; R91-D100 IonicContact CZ-OD2 3.98Å; R91-D100 IonicContact NE-OD1 2.86Å; R91-D100 PolarHBondContact NE-OD1 3.3Å; R91-D100 IonicContact NE-OD2 3.59Å; R91-D100 IonicContact NH2-OD1 2.69Å; R91-D100 PolarHBondContact NH2-OD1 3.34Å; R91-D100 IonicContact NH2-OD2 3.33Å; R91-D100 PolarHBondContact NH2-OD2 2.77Å; R91-D100 PolarHBondContact O-N 2.6Å; H93-D100 IonicContact CD2-OD2 3.78Å; A98-D100 PolarHBondContact O-N 3.5Å
101	Y	89.1	Confident	88.7	Confident	127 Å²	127	68.4 Å²	68.4	50%	0.498	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.2	177.7	-173.5	-94.3	0	0	0	112.1	A90 R91	A90-Y101 CarbonylContact C-O 3.58Å; A90-Y101 WeakPolarHBondContact CA-O 3.43Å; R91-Y101 PolarHBondContact N-O 2.66Å
102	W	94.3	Very high	88	Confident	87 Å²	87	73.7 Å²	73.7	33%	0.33	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.5	-179.7	-69.9	69.5	0	0	0	110.9	V30 L38 F88 A90 M99	V30-W102 HydrophobicContact CB-CH2 4.25Å; V30-W102 HydrophobicContact CB-CZ3 3.96Å; V30-W102 HydrophobicContact CG1-CH2 4.23Å; V30-W102 HydrophobicContact CG1-CZ3 4.14Å; V30-W102 HydrophobicContact CG2-CH2 3.83Å; V30-W102 HydrophobicContact CG2-CZ3 3.93Å; L38-W102 HydrophobicContact CD1-CH2 3.92Å; L38-W102 HydrophobicContact CD1-CZ3 4.34Å; F88-W102 HydrophobicContact CB-CE3 3.79Å; F88-W102 HydrophobicContact CB-CZ3 3.93Å; F88-W102 HydrophobicContact CG-CE3 4.22Å; F88-W102 HydrophobicContact CG-CZ3 4.39Å; A90-W102 HydrophobicContact CB-CD2 3.72Å; A90-W102 HydrophobicContact CB-CE3 4.05Å; A90-W102 HydrophobicContact CB-CG 4.12Å; A90-W102 HydrophobicContact CB-CH2 4.38Å; A90-W102 HydrophobicContact CB-CZ2 4.09Å; A90-W102 HydrophobicContact CB-CZ3 4.37Å; M99-W102 HydrophobicContact CB-CZ2 4.13Å; M99-W102 PolarHBondContact O-NE1 2.9Å; M99-W102 HydrophobicContact SD-CH2 4.25Å; M99-W102 HydrophobicContact SD-CZ2 3.78Å
103	G	93.9	Very high	87.9	Confident	19 Å²	19	74.6 Å²	74.6	20%	0.196	40%	0.397	C	S	.	.			trans	-67.9	161.2	167.5	0	0	0	0	0	111.5	F88 C89 G105	F88-G103 WeakPolarHBondContact CD1-O 3.42Å; C89-G103 PolarHBondContact O-N 3.09Å; G103-G105 PolarHBondContact O-N 3.05Å
104	Q	94.1	Very high	88.2	Confident	182 Å²	182	77.3 Å²	77.3	85%	0.85	41%	0.413	S	S	*	.			trans	-64.3	-12	-179.9	-64.6	-62.1	-43.3	0	0	114.2
105	G	95.4	Very high	89	Confident	22 Å²	22	79.1 Å²	79.1	23%	0.227	42%	0.419	C	S	.	.			trans	86.1	153	-175.4	0	0	0	0	0	112.9	Y87 F88 G103	Y87-G105 CarbonylContact O-C 3.59Å; Y87-G105 VanDerWaalsContact O-CA 3.26Å; Y87-G105 WeakPolarHBondContact O-CA 3.23Å; F88-G105 VanDerWaalsContact CD1-CA 3.43Å; G103-G105 PolarHBondContact O-N 3.05Å
106	T	97.1	Very high	89.6	Confident	27 Å²	27	77.8 Å²	77.8	17%	0.166	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	123.3	172.2	-73.7	0	0	0	0	108.5	G1 E3 L13 Y87	G1-T106 PolarHBondContact N-OG1 2.79Å; G1-T106 WeakPolarHBondContact O-CA 3.31Å; G1-T106 WeakPolarHBondContact O-CG2 3.5Å; E3-T106 HydrophobicContact CG-CG2 3.99Å; L13-T106 HydrophobicContact CD1-CG2 4.5Å; L13-T106 HydrophobicContact CD2-CG2 3.68Å; Y87-T106 PolarHBondContact N-O 3.26Å; Y87-T106 PolarHBondContact O-N 3.3Å
107	S	97	Very high	90.4	Very high	45 Å²	45	72 Å²	72	32%	0.315	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.9	175	-175.5	0	0	0	0	108.8	G1 A2 E3	G1-S107 PolarHBondContact O-N 2.96Å; A2-S107 CarbonylContact C-O 3.47Å; A2-S107 WeakPolarHBondContact CA-O 3.3Å; E3-S107 PolarHBondContact N-O 3.38Å
108	V	96.9	Very high	91.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.6	168.4	179.3	0	0	0	0	107.3	E3 V11 L13 S84 A85 Y87 V110	E3-V108 HydrophobicContact CB-CG2 4.23Å; E3-V108 CarbonylContact O-C 3.52Å; E3-V108 WeakPolarHBondContact O-CA 3.48Å; V11-V108 HydrophobicContact CG1-CG1 4.27Å; V11-V108 HydrophobicContact CG1-CG2 4.39Å; L13-V108 HydrophobicContact CD1-CG2 4.11Å; L13-V108 HydrophobicContact CD2-CG2 4.02Å; S84-V108 CarbonylContact C-O 3.53Å; S84-V108 VanDerWaalsContact CA-O 3.26Å; S84-V108 WeakPolarHBondContact CA-O 3.36Å; A85-V108 PolarHBondContact N-O 3.18Å; A85-V108 PolarHBondContact O-N 3.38Å; Y87-V108 HydrophobicContact CD2-CB 3.94Å; Y87-V108 HydrophobicContact CD2-CG2 3.58Å; Y87-V108 HydrophobicContact CE2-CB 3.77Å; Y87-V108 HydrophobicContact CE2-CG2 3.83Å; V108-V110 HydrophobicContact CG1-CG2 4.26Å
109	T	96.6	Very high	92	Very high	62 Å²	62	66.4 Å²	66.4	38%	0.38	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125	176.4	-57.2	0	0	0	0	108.9	E3 L4 A5	E3-T109 PolarHBondContact O-N 3.36Å; L4-T109 HydrophobicContact CD1-CG2 4.15Å; A5-T109 PolarHBondContact N-O 3.1Å
110	V	95.4	Very high	92.7	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.055	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	107.3	179.8	-171.7	0	0	0	0	109.1	A5 P7 L79 T80 D83 S84 V108	A5-V110 VanDerWaalsContact O-CA 3.3Å; A5-V110 WeakPolarHBondContact O-CA 3.42Å; P7-V110 HydrophobicContact CG-CG1 4.16Å; L79-V110 HydrophobicContact CB-CG1 4.15Å; L79-V110 HydrophobicContact CB-CG2 3.96Å; L79-V110 HydrophobicContact CD1-CG2 4.24Å; L79-V110 HydrophobicContact CD2-CG2 4.41Å; L79-V110 HydrophobicContact CG-CG2 4.44Å; T80-V110 WeakPolarHBondContact O-CB 3.34Å; T80-V110 WeakPolarHBondContact O-CG2 3.46Å; D83-V110 HydrophobicContact CB-CG2 4.23Å; S84-V110 PolarHBondContact OG-N 3.22Å; V108-V110 HydrophobicContact CG1-CG2 4.26Å
111	S	91.5	Very high	93.5	Very high	57 Å²	57	66.3 Å²	66.3	40%	0.399	38%	0.377	S	S	.	.			trans	-138.8	149.2	-178.5	62.3	0	0	0	0	111.5	A5 P7	A5-S111 PolarHBondContact O-N 2.82Å; A5-S111 VanDerWaalsContact O-N 3.12Å; P7-S111 WeakPolarHBondContact CD-O 2.84Å
112	S	80.8	Confident	93.9	Very high	158 Å²	158	60.7 Å²	60.7	100%	1.105	37%	0.366	S	S	*	.			trans	-75.1	0	173.6	56.9	0	0	0	0	112.3

Retrieved 112 of 112 residues in 29.5 ms (Link to these results)

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