A0A075B5I2_MOUSE Loading...

T cell receptor beta, variable 10

AlphaFold DB , UniProt , Accession A0A075B5I2, Species MOUSE (Mus musculus, Mouse), Gene Trbv4, Length 113 aa.

						>A0A075B5I2_MOUSE|A0A075B5I2|Trbv4
MGCRLLSCVAFCLLGIGPLETAVFQTPNYHVTQVGNEVSFNCKQTLGHDTMYWYKQDSKKLLKIMFSYNNKQLIVNETVPRRFSPQSSDKAHLNLRIKSVEPEDSAVYLCASS
					

Structure Viewer

Loading PAE data...

(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	M	45.8	Very low	58.1	Low	217 Å²	217	117.3 Å²	117.3	100%	1.069	66%	0.66	S	S	*	*				0	93.9	0	-74.9	177	161.6	0	0	108.8
2	G	53.5	Low	58.6	Low	67 Å²	67	115.8 Å²	115.8	69%	0.691	66%	0.661	S	S	*	*			trans	179.9	16.8	-173.5	0	0	0	0	0	118.3	R4	G2-R4 PolarHBondContact O-N 3.41Å
3	C	54.7	Low	58.9	Low	110 Å²	110	116.2 Å²	116.2	74%	0.743	66%	0.658	S	S	*	*			trans	-90.3	60.6	157	-146.4	0	0	0	0	106.8
4	R	60.5	Low	59.1	Low	176 Å²	176	118.6 Å²	118.6	66%	0.664	67%	0.668	S	S	*	*			trans	-96.7	119.1	-169.5	-74.7	-167.1	174.2	-169.3	2.2	109.6	G2 L6	G2-R4 PolarHBondContact O-N 3.41Å; R4-L6 PolarHBondContact O-N 3.05Å
5	L	60.4	Low	59.4	Low	131 Å²	131	115.2 Å²	115.2	69%	0.686	67%	0.67	S	S	*	*	S	Bend	trans	77.5	-64.5	167.1	-84.8	78.3	0	0	0	118.8	S7 C8 V9	L5-S7 PolarHBondContact O-N 2.68Å; L5-C8 PolarHBondContact O-N 2.68Å; L5-V9 VanDerWaalsContact O-CG2 3.25Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.12Å
6	L	58	Low	59.5	Low	154 Å²	154	117 Å²	117	81%	0.806	67%	0.674	S	S	*	*	H	α-helix	trans	-63.7	-40.4	-161.5	-75.8	160.5	0	0	0	114.7	R4 A10	R4-L6 PolarHBondContact O-N 3.05Å; L6-A10 PolarHBondContact O-N 3.17Å
7	S	62.1	Low	59.8	Low	66 Å²	66	113.1 Å²	113.1	46%	0.462	67%	0.665	S	S	.	*	H	α-helix	trans	-70	-41.9	179.6	175.4	0	0	0	0	113	L5 V9 A10 F11	L5-S7 PolarHBondContact O-N 2.68Å; S7-V9 VanDerWaalsContact C-N 3.34Å; S7-V9 PolarHBondContact O-N 2.95Å; S7-A10 PolarHBondContact O-N 2.9Å; S7-F11 PolarHBondContact O-N 2.94Å
8	C	61	Low	59.9	Low	77 Å²	77	113.8 Å²	113.8	52%	0.52	67%	0.674	S	S	.	*	H	α-helix	trans	-67	-35.8	177.1	-63.1	0	0	0	0	111.9	L5 A10 F11 C12	L5-C8 PolarHBondContact O-N 2.68Å; C8-A10 VanDerWaalsContact C-N 3.33Å; C8-A10 PolarHBondContact O-N 2.68Å; C8-F11 PolarHBondContact O-N 3.43Å; C8-C12 WeakPolarHBondContact O-CB 3.43Å; C8-C12 PolarHBondContact O-N 2.91Å; C8-C12 PolarHBondContact O-SG 2.71Å
9	V	61.2	Low	59.8	Low	77 Å²	77	116.4 Å²	116.4	47%	0.467	68%	0.683	S	S	.	*	H	α-helix	trans	-64	-39.9	176.4	175.2	0	0	0	0	110.8	L5 S7 C12 L13	L5-V9 VanDerWaalsContact O-CG2 3.25Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3.12Å; S7-V9 VanDerWaalsContact C-N 3.34Å; S7-V9 PolarHBondContact O-N 2.95Å; V9-C12 PolarHBondContact O-N 2.87Å; V9-L13 HydrophobicContact CG1-CD1 4.03Å; V9-L13 VanDerWaalsContact O-CG 3.32Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 2.99Å
10	A	60.6	Low	60	Low	53 Å²	53	118.9 Å²	118.9	44%	0.438	69%	0.688	S	S	.	*	H	α-helix	trans	-64.5	-42.7	177.3	0	0	0	0	0	112.9	L6 S7 C8 L13	L6-A10 PolarHBondContact O-N 3.17Å; S7-A10 PolarHBondContact O-N 2.9Å; C8-A10 VanDerWaalsContact C-N 3.33Å; C8-A10 PolarHBondContact O-N 2.68Å; A10-L13 PolarHBondContact O-N 3.01Å
11	F	61.4	Low	60.6	Low	162 Å²	162	117.4 Å²	117.4	71%	0.711	68%	0.681	S	S	*	*	H	α-helix	trans	-68.5	-33.2	176.7	-93.6	-85.8	0	0	0	113.2	S7 C8 L13	S7-F11 PolarHBondContact O-N 2.94Å; C8-F11 PolarHBondContact O-N 3.43Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.81Å
12	C	64.1	Low	62.8	Low	100 Å²	100	107.9 Å²	107.9	68%	0.676	64%	0.636	S	S	*	*	H	α-helix	trans	-70.2	-25.1	176.9	-70.3	0	0	0	0	113.5	C8 V9	C8-C12 WeakPolarHBondContact O-CB 3.43Å; C8-C12 PolarHBondContact O-N 2.91Å; C8-C12 PolarHBondContact O-SG 2.71Å; V9-C12 PolarHBondContact O-N 2.87Å
13	L	62.5	Low	64.9	Low	120 Å²	120	106.6 Å²	106.6	63%	0.628	62%	0.615	S	S	*	*	H	α-helix	trans	-85.3	-16.8	-177.2	-69.1	172.2	0	0	0	114	V9 A10 F11 G15	V9-L13 HydrophobicContact CG1-CD1 4.03Å; V9-L13 VanDerWaalsContact O-CG 3.32Å; V9-L13 WeakPolarHBondContact O-CG 3.48Å; V9-L13 PolarHBondContact O-N 2.99Å; A10-L13 PolarHBondContact O-N 3.01Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.81Å; L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 3.43Å
14	L	62.3	Low	66.9	Low	150 Å²	150	105.8 Å²	105.8	79%	0.785	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-3.4	-179	-66.8	167.6	0	0	0	113.7
15	G	63.1	Low	68.6	Low	68 Å²	68	99.9 Å²	99.9	70%	0.701	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-0.3	-177.9	0	0	0	0	0	116	L13 G17	L13-G15 VanDerWaalsContact C-N 3.31Å; L13-G15 PolarHBondContact O-N 3.43Å; G15-G17 PolarHBondContact O-N 3.41Å
16	I	60.4	Low	70.4	Confident	144 Å²	144	97.8 Å²	97.8	74%	0.738	57%	0.572	S	S	*	*			trans	-96.6	72.9	-179.3	-49.1	175.7	0	0	0	108.6
17	G	65.1	Low	72.3	Confident	51 Å²	51	92.5 Å²	92.5	53%	0.526	55%	0.547	S	S	.	.			trans	-59.3	149.1	157.6	0	0	0	0	0	108.8	G15 L19	G15-G17 PolarHBondContact O-N 3.41Å; G17-L19 PolarHBondContact O-N 2.85Å; G17-L19 VanDerWaalsContact O-N 3.12Å
18	P	61.3	Low	73.8	Confident	126 Å²	126	96.5 Å²	96.5	82%	0.818	56%	0.563	S	S	*	*			trans	-51.4	126.1	170.2	-18.9	29.9	0	0	0	107.7	E20	P18-E20 PolarHBondContact O-N 2.9Å
19	L	58.9	Low	75.4	Confident	162 Å²	162	102.1 Å²	102.1	85%	0.848	58%	0.575	S	S	*	*			trans	-55	105.7	172.3	-178.9	67.5	0	0	0	106.4	G17 T21	G17-L19 PolarHBondContact O-N 2.85Å; G17-L19 VanDerWaalsContact O-N 3.12Å; L19-T21 PolarHBondContact O-N 3.19Å
20	E	63.2	Low	77.1	Confident	166 Å²	166	103 Å²	103	78%	0.776	57%	0.573	S	S	*	*			trans	-64.6	101.4	-175.4	-162.3	177.3	-172	0	0	107.1	P18 A22	P18-E20 PolarHBondContact O-N 2.9Å; E20-A22 PolarHBondContact O-N 2.9Å
21	T	72.7	Confident	78.9	Confident	89 Å²	89	106.9 Å²	106.9	55%	0.546	59%	0.591	S	S	.	*			trans	-69	106.3	176.6	54.2	0	0	0	0	106.9	L19 V23 F24	L19-T21 PolarHBondContact O-N 3.19Å; T21-V23 VanDerWaalsContact C-N 3.28Å; T21-V23 PolarHBondContact O-N 3.22Å; T21-F24 WeakPolarHBondContact O-CE1 3.44Å; T21-F24 WeakPolarHBondContact O-CE2 3.34Å; T21-F24 WeakPolarHBondContact O-CZ 3.3Å
22	A	92.6	Very high	80.6	Confident	16 Å²	16	101.7 Å²	101.7	13%	0.132	57%	0.573	C	S	.	*			trans	-90.6	7.3	-173.8	0	0	0	0	0	113.5	E20 Q44 T45 L46	E20-A22 PolarHBondContact O-N 2.9Å; A22-Q44 CarbonylContact O-C 3.54Å; A22-Q44 VanDerWaalsContact O-CA 3.23Å; A22-Q44 WeakPolarHBondContact O-CA 3.3Å; A22-T45 PolarHBondContact O-N 2.98Å; A22-T45 PolarHBondContact O-OG1 3.15Å; A22-L46 HydrophobicContact CB-CD1 3.87Å; A22-L46 HydrophobicContact CB-CD2 3.3Å; A22-L46 HydrophobicContact CB-CG 3.36Å
23	V	96.8	Very high	82.2	Confident	40 Å²	40	103.9 Å²	103.9	24%	0.242	57%	0.573	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.9	126	168.7	-175.6	0	0	0	0	108.3	T21 K43 Q44 L46	T21-V23 VanDerWaalsContact C-N 3.28Å; T21-V23 PolarHBondContact O-N 3.22Å; V23-K43 CarbonylContact C-O 3.53Å; V23-K43 WeakPolarHBondContact CA-O 3.43Å; V23-Q44 HydrophobicContact CG2-CB 4.09Å; V23-L46 HydrophobicContact CG2-CD1 4.35Å
24	F	96.7	Very high	83.9	Confident	94 Å²	94	102.5 Å²	102.5	41%	0.412	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.3	134.5	-175.1	-57.8	-88	0	0	0	109.8	T21 C42 K43 T45	T21-F24 WeakPolarHBondContact O-CE1 3.44Å; T21-F24 WeakPolarHBondContact O-CE2 3.34Å; T21-F24 WeakPolarHBondContact O-CZ 3.3Å; F24-C42 VanDerWaalsContact O-CA 3.3Å; F24-C42 WeakPolarHBondContact O-CA 3.48Å; F24-K43 PolarHBondContact N-O 2.66Å; F24-K43 PolarHBondContact O-N 2.83Å; F24-T45 HydrophobicContact CD2-CG2 4.47Å; F24-T45 HydrophobicContact CE2-CG2 3.89Å
25	Q	97.4	Very high	85.6	Confident	52 Å²	52	97.2 Å²	97.2	24%	0.243	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	141.8	177.2	-62	-176.4	-92.2	0	0	110.2	N28 N41 C42 W53 Y108 C110	Q25-N28 PolarHBondContact O-OD1 3.18Å; Q25-N41 CarbonylContact C-O 3.54Å; Q25-N41 VanDerWaalsContact CA-O 3.31Å; Q25-N41 WeakPolarHBondContact CA-O 3.43Å; Q25-C42 HydrophobicContact CG-CB 4.49Å; Q25-W53 VanDerWaalsContact NE2-CH2 3.28Å; Q25-Y108 PolarHBondContact NE2-O 3.31Å; Q25-C110 VanDerWaalsContact CD-CB 3.49Å; Q25-C110 VanDerWaalsContact CD-N 3.34Å; Q25-C110 HydrophobicContact CG-CB 3.7Å; Q25-C110 VanDerWaalsContact NE2-CB 3.26Å
26	T	97.7	Very high	87.2	Confident	86 Å²	86	97.2 Å²	97.2	53%	0.528	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	132	177.9	-58.5	0	0	0	0	111.3	N41	T26-N41 PolarHBondContact N-O 2.78Å; T26-N41 PolarHBondContact O-N 3.26Å
27	P	97.7	Very high	89	Confident	44 Å²	44	94.4 Å²	94.4	29%	0.286	52%	0.519	S	S	.	.			cis	-74.3	162.9	-5.3	34.2	-37.2	0	0	0	112	Y29 H30 F40	P27-Y29 VanDerWaalsContact C-N 3.34Å; P27-Y29 WeakPolarHBondContact CB-O 3.27Å; P27-H30 HydrophobicContact CG-CB 4.13Å; P27-F40 HydrophobicContact CG-CD1 4.41Å; P27-F40 HydrophobicContact CG-CE1 4.49Å
28	N	93.7	Very high	90.6	Very high	150 Å²	150	92.4 Å²	92.4	80%	0.802	50%	0.497	S	S	*	.	S	Bend	trans	-71.3	-29.8	176	-68.5	-29.9	0	0	0	112.8	Q25	Q25-N28 PolarHBondContact O-OD1 3.18Å
29	Y	95.3	Very high	92.3	Very high	195 Å²	195	89.2 Å²	89.2	77%	0.765	48%	0.477	S	S	*	.			trans	-146.3	154.5	173.8	63.5	-89.5	0	0	0	108.9	P27	P27-Y29 VanDerWaalsContact C-N 3.34Å; P27-Y29 WeakPolarHBondContact CB-O 3.27Å
30	H	96.3	Very high	94.2	Very high	95 Å²	95	82.7 Å²	82.7	44%	0.44	44%	0.442	S	S	.	.			trans	-146.1	133.5	177.2	-164.7	86.4	0	0	0	109.7	P27 V38 F40	P27-H30 HydrophobicContact CG-CB 4.13Å; H30-V38 WeakPolarHBondContact CD2-CG1 3.47Å; H30-V38 WeakPolarHBondContact NE2-CG1 3.28Å; H30-F40 HydrophobicContact CB-CE1 4.22Å; H30-F40 HydrophobicContact CB-CZ 4.43Å
31	V	97.2	Very high	95.9	Very high	135 Å²	135	78.6 Å²	78.6	82%	0.818	43%	0.426	S	S	*	.			trans	-123.2	124.5	175.8	-179.1	0	0	0	0	106.9
32	T	97.2	Very high	97.1	Very high	52 Å²	52	74.4 Å²	74.4	32%	0.319	40%	0.4	S	S	.	.			trans	-144.6	169	-176.3	-162.1	0	0	0	0	111	N36 V38 V100	T32-N36 HydrophobicContact CG2-CB 4.33Å; T32-N36 VanDerWaalsContact OG1-CB 3.27Å; T32-N36 WeakPolarHBondContact OG1-CB 3.32Å; T32-N36 PolarHBondContact OG1-ND2 2.95Å; T32-V38 HydrophobicContact CG2-CG1 3.52Å; T32-V100 HydrophobicContact CG2-CB 4.29Å; T32-V100 HydrophobicContact CG2-CG1 4.32Å; T32-V100 HydrophobicContact CG2-CG2 4.16Å
33	Q	97.9	Very high	97.3	Very high	146 Å²	146	78.3 Å²	78.3	68%	0.682	41%	0.414	S	S	*	.			trans	-80.7	149.8	173.1	-167.2	172.8	15.4	0	0	110.9	N36	Q33-N36 VanDerWaalsContact O-CB 3.3Å; Q33-N36 WeakPolarHBondContact O-CB 3.41Å; Q33-N36 PolarHBondContact O-N 3.48Å; Q33-N36 VanDerWaalsContact O-N 3.17Å
34	V	97.9	Very high	97.3	Very high	91 Å²	91	76.6 Å²	76.6	55%	0.552	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	139	171	176.7	0	0	0	0	110.2	N36 V100 P102	V34-N36 VanDerWaalsContact C-N 3.25Å; V34-N36 PolarHBondContact O-N 2.95Å; V34-V100 WeakPolarHBondContact CA-O 3.24Å; V34-P102 HydrophobicContact CG2-CG 4.03Å
35	G	97.9	Very high	97.3	Very high	39 Å²	39	75.8 Å²	75.8	40%	0.402	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-16.6	-178.3	0	0	0	0	0	114.5	V100	G35-V100 PolarHBondContact N-O 2.88Å
36	N	98.3	Very high	97.2	Very high	69 Å²	69	77.5 Å²	77.5	37%	0.369	42%	0.416	S	S	.	.			trans	-71.5	155.1	174.5	-72	-9.6	0	0	0	111.4	T32 Q33 V34 V100	T32-N36 HydrophobicContact CG2-CB 4.33Å; T32-N36 VanDerWaalsContact OG1-CB 3.27Å; T32-N36 WeakPolarHBondContact OG1-CB 3.32Å; T32-N36 PolarHBondContact OG1-ND2 2.95Å; Q33-N36 VanDerWaalsContact O-CB 3.3Å; Q33-N36 WeakPolarHBondContact O-CB 3.41Å; Q33-N36 PolarHBondContact O-N 3.48Å; Q33-N36 VanDerWaalsContact O-N 3.17Å; V34-N36 VanDerWaalsContact C-N 3.25Å; V34-N36 PolarHBondContact O-N 2.95Å; N36-V100 WeakPolarHBondContact O-CG2 3.13Å; N36-V100 PolarHBondContact O-N 2.92Å
37	E	98.1	Very high	97	Very high	85 Å²	85	75.5 Å²	75.5	40%	0.397	41%	0.412	S	S	.	.			trans	-85.9	142.5	170.9	179.6	170.4	99	0	0	111.3	R96 I97	E37-R96 HydrophobicContact CG-CG 4.26Å; E37-R96 IonicContact OE1-CZ 3.54Å; E37-R96 IonicContact OE1-NE 3.95Å; E37-R96 PolarHBondContact OE1-NE 2.78Å; E37-R96 VanDerWaalsContact OE1-NE 3.12Å; E37-R96 IonicContact OE1-NH2 2.68Å; E37-R96 PolarHBondContact OE1-NH2 3.28Å; E37-R96 IonicContact OE2-CZ 3.8Å; E37-R96 IonicContact OE2-NE 2.94Å; E37-R96 PolarHBondContact OE2-NE 2.81Å; E37-R96 IonicContact OE2-NH2 2.68Å; E37-R96 PolarHBondContact OE2-NH2 3.48Å; E37-I97 VanDerWaalsContact CA-O 3.32Å; E37-I97 WeakPolarHBondContact CA-O 3.29Å; E37-I97 WeakPolarHBondContact CG-O 3.35Å
38	V	97.7	Very high	97	Very high	9 Å²	9	76 Å²	76	6%	0.055	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	149.6	171.1	-56.6	0	0	0	0	110.9	H30 T32 F40 R96 I97 V100	H30-V38 WeakPolarHBondContact CD2-CG1 3.47Å; H30-V38 WeakPolarHBondContact NE2-CG1 3.28Å; T32-V38 HydrophobicContact CG2-CG1 3.52Å; V38-F40 HydrophobicContact CG2-CE2 3.84Å; V38-F40 HydrophobicContact CG2-CZ 4.32Å; V38-R96 WeakPolarHBondContact O-CA 3.37Å; V38-I97 HydrophobicContact CG2-CB 3.76Å; V38-I97 HydrophobicContact CG2-CD1 3.81Å; V38-I97 HydrophobicContact CG2-CG1 3.94Å; V38-I97 PolarHBondContact N-O 3.32Å; V38-I97 PolarHBondContact O-N 2.9Å; V38-V100 HydrophobicContact CB-CG2 4.36Å; V38-V100 HydrophobicContact CG1-CG2 3.86Å; V38-V100 HydrophobicContact CG2-CG2 3.6Å
39	S	98.1	Very high	97.1	Very high	58 Å²	58	72.3 Å²	72.3	41%	0.406	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.7	176.6	-64.1	0	0	0	0	110.7	L95	S39-L95 CarbonylContact C-O 3.55Å; S39-L95 WeakPolarHBondContact CA-O 3.31Å
40	F	98.2	Very high	97.2	Very high	26 Å²	26	63.7 Å²	63.7	11%	0.114	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.1	173.9	-55.9	-85.7	0	0	0	108.7	P27 H30 V38 W53 N94 L95 I97	P27-F40 HydrophobicContact CG-CD1 4.41Å; P27-F40 HydrophobicContact CG-CE1 4.49Å; H30-F40 HydrophobicContact CB-CE1 4.22Å; H30-F40 HydrophobicContact CB-CZ 4.43Å; V38-F40 HydrophobicContact CG2-CE2 3.84Å; V38-F40 HydrophobicContact CG2-CZ 4.32Å; F40-W53 HydrophobicContact CB-CH2 3.67Å; F40-W53 HydrophobicContact CB-CZ2 3.99Å; F40-W53 HydrophobicContact CG-CH2 4.43Å; F40-N94 CarbonylContact O-C 3.5Å; F40-N94 VanDerWaalsContact O-CA 3.3Å; F40-N94 WeakPolarHBondContact O-CA 3.37Å; F40-L95 HydrophobicContact CB-CB 4.38Å; F40-L95 HydrophobicContact CD2-CB 4.49Å; F40-L95 HydrophobicContact CD2-CD2 4.31Å; F40-L95 HydrophobicContact CD2-CG 4.46Å; F40-L95 PolarHBondContact N-O 2.82Å; F40-L95 PolarHBondContact O-N 2.87Å; F40-I97 HydrophobicContact CE2-CD1 4.06Å
41	N	98.1	Very high	97.3	Very high	80 Å²	80	59.3 Å²	59.3	43%	0.428	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	139.4	171.3	-61.6	-66.6	0	0	0	109.3	Q25 T26 N94	Q25-N41 CarbonylContact C-O 3.54Å; Q25-N41 VanDerWaalsContact CA-O 3.31Å; Q25-N41 WeakPolarHBondContact CA-O 3.43Å; T26-N41 PolarHBondContact N-O 2.78Å; T26-N41 PolarHBondContact O-N 3.26Å; N41-N94 VanDerWaalsContact CA-OD1 3.26Å; N41-N94 WeakPolarHBondContact CA-OD1 3.43Å; N41-N94 PolarHBondContact OD1-ND2 3.46Å
42	C	98	Very high	97.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.6	167.8	-179.6	0	0	0	0	110.9	F24 Q25 M51 W53 H92 L93 N94 C110	F24-C42 VanDerWaalsContact O-CA 3.3Å; F24-C42 WeakPolarHBondContact O-CA 3.48Å; Q25-C42 HydrophobicContact CG-CB 4.49Å; C42-M51 HydrophobicContact CB-CE 4.41Å; C42-M51 WeakPolarHBondContact SG-CE 3.29Å; C42-W53 HydrophobicContact CB-CH2 4.35Å; C42-W53 HydrophobicContact CB-CZ2 3.65Å; C42-H92 WeakPolarHBondContact O-CA 3.18Å; C42-L93 WeakPolarHBondContact CB-O 3.22Å; C42-L93 PolarHBondContact O-N 2.88Å; C42-L93 VanDerWaalsContact O-N 3.11Å; C42-N94 PolarHBondContact N-OD1 3.02Å; C42-N94 VanDerWaalsContact N-OD1 3.15Å; C42-C110 HydrophobicContact CB-CB 3.6Å; C42-C110 WeakPolarHBondContact CB-SG 3.47Å; C42-C110 WeakPolarHBondContact SG-CB 3.29Å; C42-C110 CovalentContact SG-SG 2Å; C42-C110 PolarHBondContact SG-SG 3.22Å
43	K	97.5	Very high	97.3	Very high	97 Å²	97	52.7 Å²	52.7	42%	0.422	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.7	178.6	-179.7	-179.8	179.1	-178	0	110.8	V23 F24 A91 H92	V23-K43 CarbonylContact C-O 3.53Å; V23-K43 WeakPolarHBondContact CA-O 3.43Å; F24-K43 PolarHBondContact N-O 2.66Å; F24-K43 PolarHBondContact O-N 2.83Å; K43-A91 CarbonylContact C-O 3.58Å; K43-A91 WeakPolarHBondContact CA-O 3.5Å; K43-H92 WeakPolarHBondContact CD-NE2 3.23Å
44	Q	96.5	Very high	97.2	Very high	5 Å²	5	48.7 Å²	48.7	2%	0.023	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.6	169.2	63.8	83.9	10.4	0	0	112.3	A22 V23 H48 M51 K90 A91	A22-Q44 CarbonylContact O-C 3.54Å; A22-Q44 VanDerWaalsContact O-CA 3.23Å; A22-Q44 WeakPolarHBondContact O-CA 3.3Å; V23-Q44 HydrophobicContact CG2-CB 4.09Å; Q44-H48 PolarHBondContact NE2-O 3.04Å; Q44-M51 HydrophobicContact CB-CE 4.1Å; Q44-M51 HydrophobicContact CG-CE 3.86Å; Q44-M51 HydrophobicContact CG-CG 4.15Å; Q44-M51 HydrophobicContact CG-SD 3.81Å; Q44-K90 PolarHBondContact NE2-O 2.92Å; Q44-A91 PolarHBondContact N-O 2.92Å
45	T	96.3	Very high	97.1	Very high	77 Å²	77	46.6 Å²	46.6	47%	0.472	26%	0.256	S	S	.	.			trans	-123	13	177.9	56.3	0	0	0	0	113.1	A22 F24	A22-T45 PolarHBondContact O-N 2.98Å; A22-T45 PolarHBondContact O-OG1 3.15Å; F24-T45 HydrophobicContact CD2-CG2 4.47Å; F24-T45 HydrophobicContact CE2-CG2 3.89Å
46	L	94.9	Very high	97	Very high	88 Å²	88	47.7 Å²	47.7	46%	0.461	25%	0.251	S	S	.	.	S	Bend	trans	-84	-13.3	-179.6	-66.8	169.5	0	0	0	113.4	A22 V23 H48	A22-L46 HydrophobicContact CB-CD1 3.87Å; A22-L46 HydrophobicContact CB-CD2 3.3Å; A22-L46 HydrophobicContact CB-CG 3.36Å; V23-L46 HydrophobicContact CG2-CD1 4.35Å; L46-H48 HydrophobicContact CB-CB 4.4Å; L46-H48 WeakPolarHBondContact CD1-CE1 3.32Å; L46-H48 WeakPolarHBondContact CD1-ND1 3.36Å; L46-H48 PolarHBondContact O-N 2.95Å
47	G	94.6	Very high	96.5	Very high	43 Å²	43	46.7 Å²	46.7	44%	0.443	25%	0.245	S	C	.	.			trans	73.8	8.1	-174.9	0	0	0	0	0	113.8	K90	G47-K90 PolarHBondContact O-NZ 3Å
48	H	96.8	Very high	95.8	Very high	55 Å²	55	48.1 Å²	48.1	26%	0.255	27%	0.265	S	S	.	.			trans	-51.9	148.5	171.6	-74.1	172.8	0	0	0	112.3	Q44 L46 S112 S113	Q44-H48 PolarHBondContact NE2-O 3.04Å; L46-H48 HydrophobicContact CB-CB 4.4Å; L46-H48 WeakPolarHBondContact CD1-CE1 3.32Å; L46-H48 WeakPolarHBondContact CD1-ND1 3.36Å; L46-H48 PolarHBondContact O-N 2.95Å; H48-S112 PolarHBondContact ND1-O 2.78Å; H48-S112 VanDerWaalsContact ND1-O 3.16Å; H48-S112 PolarHBondContact ND1-OG 3.04Å; H48-S113 VanDerWaalsContact CB-C 3.43Å; H48-S113 WeakPolarHBondContact CB-O 3.49Å; H48-S113 VanDerWaalsContact CG-C 3.4Å; H48-S113 VanDerWaalsContact ND1-CA 3.33Å; H48-S113 WeakPolarHBondContact ND1-CA 3.25Å; H48-S113 PolarHBondContact ND1-N 3.29Å
49	D	96.4	Very high	95.3	Very high	72 Å²	72	56.3 Å²	56.3	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-92.7	-23.1	-176.8	-71.4	-28.5	0	0	0	112.1	N69 N70 K90 S113	D49-N69 CarbonylContact O-C 3.47Å; D49-N69 WeakPolarHBondContact O-CA 3.32Å; D49-N70 PolarHBondContact O-N 2.87Å; D49-K90 IonicContact OD1-NZ 2.91Å; D49-K90 PolarHBondContact OD1-NZ 3.03Å; D49-S113 PolarHBondContact N-O 3.24Å; D49-S113 VanDerWaalsContact N-O 3.17Å
50	T	97.2	Very high	94.4	Very high	14 Å²	14	61.5 Å²	61.5	9%	0.086	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.7	-176.1	-48	0	0	0	0	111.6	Y52 S67 Y68 N69 I74 S112 S113	T50-Y52 WeakPolarHBondContact CB-OH 3.26Å; T50-Y52 HydrophobicContact CG2-CD1 4.37Å; T50-Y52 HydrophobicContact CG2-CE1 3.59Å; T50-Y52 HydrophobicContact CG2-CE2 3.96Å; T50-Y52 VanDerWaalsContact CG2-OH 3.3Å; T50-Y52 WeakPolarHBondContact CG2-OH 3.08Å; T50-S67 WeakPolarHBondContact CG2-OG 2.97Å; T50-Y68 CarbonylContact C-O 3.57Å; T50-Y68 VanDerWaalsContact CA-O 3.24Å; T50-Y68 WeakPolarHBondContact CA-O 3.47Å; T50-Y68 WeakPolarHBondContact CG2-O 3.3Å; T50-N69 PolarHBondContact OG1-ND2 2.78Å; T50-I74 HydrophobicContact CG2-CD1 4.05Å; T50-S112 CarbonylContact O-C 3.59Å; T50-S112 WeakPolarHBondContact O-CA 3.31Å; T50-S112 WeakPolarHBondContact O-CB 3.4Å; T50-S113 PolarHBondContact N-O 3.28Å; T50-S113 PolarHBondContact O-N 3.38Å
51	M	98.1	Very high	94	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.015	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155	171.5	-64.6	-170.1	78	0	0	111.3	C42 Q44 S67 Y68 H92 L93 A111	C42-M51 HydrophobicContact CB-CE 4.41Å; C42-M51 WeakPolarHBondContact SG-CE 3.29Å; Q44-M51 HydrophobicContact CB-CE 4.1Å; Q44-M51 HydrophobicContact CG-CE 3.86Å; Q44-M51 HydrophobicContact CG-CG 4.15Å; Q44-M51 HydrophobicContact CG-SD 3.81Å; M51-S67 WeakPolarHBondContact O-CA 3.35Å; M51-Y68 PolarHBondContact N-O 3.4Å; M51-Y68 PolarHBondContact O-N 3.47Å; M51-H92 VanDerWaalsContact SD-C 3.57Å; M51-H92 PolarHBondContact SD-N 3.13Å; M51-H92 VanDerWaalsContact SD-N 3.43Å; M51-L93 HydrophobicContact CB-CB 3.77Å; M51-L93 HydrophobicContact CB-CD2 3.73Å; M51-L93 HydrophobicContact CB-CG 4.39Å; M51-L93 HydrophobicContact CE-CB 4.23Å; M51-L93 HydrophobicContact CG-CB 4.48Å; M51-L93 HydrophobicContact SD-CB 3.95Å; M51-A111 WeakPolarHBondContact CA-O 3.32Å
52	Y	97.3	Very high	93.8	Very high	47 Å²	47	65 Å²	65	18%	0.184	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.5	-171.7	-48.1	-89.5	0	0	0	111.2	T50 Y54 I64 F66 S67 C110 A111	T50-Y52 WeakPolarHBondContact CB-OH 3.26Å; T50-Y52 HydrophobicContact CG2-CD1 4.37Å; T50-Y52 HydrophobicContact CG2-CE1 3.59Å; T50-Y52 HydrophobicContact CG2-CE2 3.96Å; T50-Y52 VanDerWaalsContact CG2-OH 3.3Å; T50-Y52 WeakPolarHBondContact CG2-OH 3.08Å; Y52-Y54 VanDerWaalsContact CB-CE2 3.5Å; Y52-Y54 HydrophobicContact CG-CE2 4.2Å; Y52-I64 HydrophobicContact CD1-CD1 3.95Å; Y52-F66 WeakPolarHBondContact CA-O 3.36Å; Y52-S67 VanDerWaalsContact CD1-OG 3.25Å; Y52-S67 WeakPolarHBondContact CD1-OG 2.92Å; Y52-S67 WeakPolarHBondContact CE1-OG 3.32Å; Y52-C110 VanDerWaalsContact O-CA 3.32Å; Y52-C110 WeakPolarHBondContact O-CA 3.33Å; Y52-C110 PolarHBondContact O-SG 3.05Å; Y52-A111 HydrophobicContact CD2-CB 4.23Å; Y52-A111 PolarHBondContact N-O 3.34Å; Y52-A111 PolarHBondContact O-N 3.47Å; Y52-A111 VanDerWaalsContact O-N 3.13Å
53	W	97.8	Very high	93.6	Very high	1 Å²	1	70.3 Å²	70.3	0%	0.004	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.8	160.1	-84.5	102.2	0	0	0	110	Q25 F40 C42 M65 F66 L93 L95 L109 C110	Q25-W53 VanDerWaalsContact NE2-CH2 3.28Å; F40-W53 HydrophobicContact CB-CH2 3.67Å; F40-W53 HydrophobicContact CB-CZ2 3.99Å; F40-W53 HydrophobicContact CG-CH2 4.43Å; C42-W53 HydrophobicContact CB-CH2 4.35Å; C42-W53 HydrophobicContact CB-CZ2 3.65Å; W53-M65 HydrophobicContact CB-CB 4.37Å; W53-M65 HydrophobicContact CB-SD 4.31Å; W53-M65 WeakPolarHBondContact O-CB 3.24Å; W53-M65 PolarHBondContact O-N 2.87Å; W53-F66 HydrophobicContact CB-CD2 4.27Å; W53-F66 PolarHBondContact N-O 2.79Å; W53-F66 VanDerWaalsContact N-O 3.11Å; W53-F66 PolarHBondContact O-N 3.47Å; W53-L93 PolarHBondContact NE1-O 2.81Å; W53-L95 HydrophobicContact CD2-CB 4.07Å; W53-L95 HydrophobicContact CD2-CD2 4.03Å; W53-L95 HydrophobicContact CE3-CD2 4.1Å; W53-L95 HydrophobicContact CG-CB 4.39Å; W53-L95 HydrophobicContact CG-CD2 4.36Å; W53-L95 HydrophobicContact CZ2-CB 3.87Å; W53-L109 CarbonylContact C-O 3.59Å; W53-L109 WeakPolarHBondContact CA-O 3.34Å; W53-C110 HydrophobicContact CD2-CB 4.2Å; W53-C110 HydrophobicContact CE3-CB 4.12Å; W53-C110 HydrophobicContact CH2-CB 3.99Å; W53-C110 HydrophobicContact CZ2-CB 4.05Å; W53-C110 HydrophobicContact CZ3-CB 4.02Å
54	Y	96.4	Very high	93.5	Very high	63 Å²	63	68 Å²	68	25%	0.247	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.6	172.9	-59.1	-95.7	0	0	0	110.2	Y52 L62 K63 I64 Y108 L109 A111	Y52-Y54 VanDerWaalsContact CB-CE2 3.5Å; Y52-Y54 HydrophobicContact CG-CE2 4.2Å; Y54-L62 HydrophobicContact CD1-CD1 4.45Å; Y54-L62 HydrophobicContact CD1-CD2 4.22Å; Y54-L62 HydrophobicContact CD1-CG 4.02Å; Y54-L62 HydrophobicContact CG-CD1 4.24Å; Y54-L62 HydrophobicContact CG-CD2 4.46Å; Y54-L62 HydrophobicContact CG-CG 4.29Å; Y54-K63 CarbonylContact C-O 3.58Å; Y54-K63 WeakPolarHBondContact CA-O 3.44Å; Y54-K63 WeakPolarHBondContact CB-O 3.33Å; Y54-I64 HydrophobicContact CD1-CB 3.96Å; Y54-I64 HydrophobicContact CD1-CG1 4.41Å; Y54-I64 HydrophobicContact CE1-CB 3.82Å; Y54-I64 HydrophobicContact CE1-CD1 4.47Å; Y54-I64 HydrophobicContact CE1-CG1 4.12Å; Y54-Y108 CarbonylContact O-C 3.51Å; Y54-Y108 WeakPolarHBondContact O-CA 3.33Å; Y54-L109 PolarHBondContact N-O 3.03Å; Y54-L109 PolarHBondContact O-N 3.4Å; Y54-A111 HydrophobicContact CE2-CB 4.05Å
55	K	95.5	Very high	93.5	Very high	47 Å²	47	68.2 Å²	68.2	20%	0.204	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.8	167.9	-173.1	176.1	179.8	-179.9	0	108.2	K63 M65 E103 D104 A106 Y108	K55-K63 PolarHBondContact N-O 2.8Å; K55-K63 PolarHBondContact O-N 2Å; K55-M65 HydrophobicContact CB-CG 3.89Å; K55-M65 HydrophobicContact CB-SD 3.72Å; K55-E103 PolarHBondContact NZ-O 3.17Å; K55-D104 IonicContact NZ-OD1 3.65Å; K55-A106 HydrophobicContact CD-CB 4.18Å; K55-A106 VanDerWaalsContact CE-CB 3.42Å; K55-A106 HydrophobicContact CG-CB 3.69Å; K55-Y108 HydrophobicContact CB-CD1 4.32Å; K55-Y108 HydrophobicContact CB-CE1 4.14Å; K55-Y108 HydrophobicContact CD-CE1 3.89Å; K55-Y108 WeakPolarHBondContact CE-OH 3.11Å; K55-Y108 HydrophobicContact CG-CD1 4.33Å; K55-Y108 HydrophobicContact CG-CE1 3.81Å
56	Q	94.9	Very high	93.5	Very high	61 Å²	61	64.7 Å²	64.7	29%	0.285	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.5	168.8	-171.6	175	37.6	0	0	108.7	K60 L61 L62 A106 V107	Q56-K60 PolarHBondContact NE2-O 3.11Å; Q56-L61 WeakPolarHBondContact CA-O 3.38Å; Q56-L62 HydrophobicContact CB-CD1 3.84Å; Q56-A106 WeakPolarHBondContact O-CB 3.33Å; Q56-V107 HydrophobicContact CB-CB 4.23Å; Q56-V107 PolarHBondContact N-O 3.49Å; Q56-V107 PolarHBondContact O-N 3.22Å
57	D	87.9	Confident	93.5	Very high	48 Å²	48	60.5 Å²	60.5	26%	0.257	31%	0.306	S	S	.	.			trans	-74.4	175	179.1	65.6	24.6	0	0	0	112.3	K59 K60 L61	D57-K59 PolarHBondContact O-N 2.86Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 VanDerWaalsContact OD1-CA 3.32Å; D57-K59 WeakPolarHBondContact OD1-CA 3.36Å; D57-K59 WeakPolarHBondContact OD1-CB 3.45Å; D57-K59 PolarHBondContact OD1-N 2.94Å; D57-K60 WeakPolarHBondContact O-CA 3.4Å; D57-K60 PolarHBondContact O-N 2.81Å; D57-K60 PolarHBondContact OD1-N 2.74Å; D57-L61 PolarHBondContact N-O 3.09Å; D57-L61 PolarHBondContact OD1-N 2.75Å
58	S	84.7	Confident	93.7	Very high	115 Å²	115	60 Å²	60	80%	0.804	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.5	178	58.8	0	0	0	0	113.8	K60	S58-K60 PolarHBondContact O-N 2.99Å
59	K	86.4	Confident	93.7	Very high	181 Å²	181	60 Å²	60	79%	0.787	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	7.2	172.9	-59.1	-179.5	179.7	178.7	0	112.2	D57 L61	D57-K59 PolarHBondContact O-N 2.86Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 VanDerWaalsContact OD1-CA 3.32Å; D57-K59 WeakPolarHBondContact OD1-CA 3.36Å; D57-K59 WeakPolarHBondContact OD1-CB 3.45Å; D57-K59 PolarHBondContact OD1-N 2.94Å; K59-L61 PolarHBondContact O-N 3.43Å
60	K	79.3	Confident	93.5	Very high	167 Å²	167	59.8 Å²	59.8	73%	0.726	29%	0.292	S	S	*	.			trans	64	12.6	177.6	-55.9	-175.8	177.9	-178.8	0	114.7	Q56 D57 S58 L62	Q56-K60 PolarHBondContact NE2-O 3.11Å; D57-K60 WeakPolarHBondContact O-CA 3.4Å; D57-K60 PolarHBondContact O-N 2.81Å; D57-K60 PolarHBondContact OD1-N 2.74Å; S58-K60 PolarHBondContact O-N 2.99Å; K60-L62 PolarHBondContact O-N 2.85Å
61	L	89.6	Confident	93.3	Very high	97 Å²	97	64.7 Å²	64.7	51%	0.508	31%	0.312	S	S	.	.			trans	-80.1	120.4	176.2	-178.7	60.3	0	0	0	109.4	Q56 D57 K59 K63	Q56-L61 WeakPolarHBondContact CA-O 3.38Å; D57-L61 PolarHBondContact N-O 3.09Å; D57-L61 PolarHBondContact OD1-N 2.75Å; K59-L61 PolarHBondContact O-N 3.43Å; L61-K63 HydrophobicContact CD2-CG 4.42Å; L61-K63 HydrophobicContact CG-CG 4.2Å
62	L	94.1	Very high	93.2	Very high	84 Å²	84	71.3 Å²	71.3	44%	0.44	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.3	176.1	-170.5	68.5	0	0	0	109.6	Y54 Q56 K60 L109	Y54-L62 HydrophobicContact CD1-CD1 4.45Å; Y54-L62 HydrophobicContact CD1-CD2 4.22Å; Y54-L62 HydrophobicContact CD1-CG 4.02Å; Y54-L62 HydrophobicContact CG-CD1 4.24Å; Y54-L62 HydrophobicContact CG-CD2 4.46Å; Y54-L62 HydrophobicContact CG-CG 4.29Å; Q56-L62 HydrophobicContact CB-CD1 3.84Å; K60-L62 PolarHBondContact O-N 2.85Å; L62-L109 HydrophobicContact CD1-CD1 3.94Å
63	K	94.4	Very high	93.1	Very high	112 Å²	112	72.9 Å²	72.9	49%	0.487	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.9	176.8	-63.6	-178.6	-176.4	174.9	0	110.1	Y54 K55 L61	Y54-K63 CarbonylContact C-O 3.58Å; Y54-K63 WeakPolarHBondContact CA-O 3.44Å; Y54-K63 WeakPolarHBondContact CB-O 3.33Å; K55-K63 PolarHBondContact N-O 2.8Å; K55-K63 PolarHBondContact O-N 2Å; L61-K63 HydrophobicContact CD2-CG 4.42Å; L61-K63 HydrophobicContact CG-CG 4.2Å
64	I	95.5	Very high	93	Very high	49 Å²	49	77.4 Å²	77.4	25%	0.251	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.8	168.4	-168.7	169.8	0	0	0	109.1	Y52 Y54 V75 E77	Y52-I64 HydrophobicContact CD1-CD1 3.95Å; Y54-I64 HydrophobicContact CD1-CB 3.96Å; Y54-I64 HydrophobicContact CD1-CG1 4.41Å; Y54-I64 HydrophobicContact CE1-CB 3.82Å; Y54-I64 HydrophobicContact CE1-CD1 4.47Å; Y54-I64 HydrophobicContact CE1-CG1 4.12Å; I64-V75 HydrophobicContact CD1-CG1 4.29Å; I64-V75 HydrophobicContact CG2-CG1 4.5Å; I64-E77 HydrophobicContact CG2-CG 3.63Å; I64-E77 WeakPolarHBondContact O-CB 3.22Å
65	M	96.1	Very high	92.8	Very high	8 Å²	8	76.7 Å²	76.7	4%	0.039	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-53.5	174.4	-60.2	172.7	73.8	0	0	109.8	W53 K55 E77 V79 F83 L95 Y108	W53-M65 HydrophobicContact CB-CB 4.37Å; W53-M65 HydrophobicContact CB-SD 4.31Å; W53-M65 WeakPolarHBondContact O-CB 3.24Å; W53-M65 PolarHBondContact O-N 2.87Å; K55-M65 HydrophobicContact CB-CG 3.89Å; K55-M65 HydrophobicContact CB-SD 3.72Å; M65-E77 PolarHBondContact O-N 3.36Å; M65-V79 HydrophobicContact CB-CG1 3.92Å; M65-V79 HydrophobicContact CE-CG1 4.21Å; M65-V79 HydrophobicContact CG-CG1 4.36Å; M65-F83 HydrophobicContact CE-CD1 3.36Å; M65-F83 HydrophobicContact CE-CE1 3.61Å; M65-F83 HydrophobicContact CE-CG 4.12Å; M65-L95 HydrophobicContact CE-CD2 4.28Å; M65-L95 HydrophobicContact SD-CD2 4.44Å; M65-Y108 HydrophobicContact CE-CD1 4.32Å; M65-Y108 HydrophobicContact CE-CE1 3.92Å; M65-Y108 HydrophobicContact SD-CD1 3.78Å; M65-Y108 HydrophobicContact SD-CE1 3.88Å
66	F	94.8	Very high	92.6	Very high	3 Å²	3	78.6 Å²	78.6	1%	0.013	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.6	-175.3	-48.1	-79.4	0	0	0	111	Y52 W53 Y68 L73 V75 N76 V79 F83 P85 L95	Y52-F66 WeakPolarHBondContact CA-O 3.36Å; W53-F66 HydrophobicContact CB-CD2 4.27Å; W53-F66 PolarHBondContact N-O 2.79Å; W53-F66 VanDerWaalsContact N-O 3.11Å; W53-F66 PolarHBondContact O-N 3.47Å; F66-Y68 HydrophobicContact CB-CD2 4.38Å; F66-Y68 HydrophobicContact CB-CE2 4.22Å; F66-L73 HydrophobicContact CD1-CD1 4.46Å; F66-V75 CarbonylContact C-O 3.46Å; F66-V75 VanDerWaalsContact CA-O 3.27Å; F66-V75 WeakPolarHBondContact CA-O 3.22Å; F66-N76 WeakPolarHBondContact CE1-OD1 3.47Å; F66-V79 HydrophobicContact CD1-CG2 4.29Å; F66-V79 HydrophobicContact CE1-CB 4.19Å; F66-V79 HydrophobicContact CE1-CG1 4.14Å; F66-V79 HydrophobicContact CE1-CG2 3.18Å; F66-V79 HydrophobicContact CE2-CG1 4.19Å; F66-V79 HydrophobicContact CE2-CG2 4.39Å; F66-V79 HydrophobicContact CZ-CB 3.86Å; F66-V79 HydrophobicContact CZ-CG1 3.77Å; F66-V79 HydrophobicContact CZ-CG2 3.23Å; F66-F83 HydrophobicContact CE2-CB 4.35Å; F66-F83 HydrophobicContact CZ-CB 3.95Å; F66-P85 HydrophobicContact CB-CB 4.47Å; F66-P85 HydrophobicContact CD1-CB 4.37Å; F66-P85 HydrophobicContact CD1-CG 3.66Å; F66-P85 HydrophobicContact CD2-CB 4.03Å; F66-P85 HydrophobicContact CD2-CG 4.12Å; F66-P85 HydrophobicContact CE1-CG 3.7Å; F66-P85 HydrophobicContact CE2-CB 4.32Å; F66-P85 HydrophobicContact CE2-CG 4.2Å; F66-P85 HydrophobicContact CG-CB 4.05Å; F66-P85 HydrophobicContact CG-CG 3.85Å; F66-P85 HydrophobicContact CZ-CG 3.99Å; F66-L95 HydrophobicContact CD2-CD1 4.41Å; F66-L95 HydrophobicContact CE2-CD1 3.8Å
67	S	96.6	Very high	92.2	Very high	1 Å²	1	80.9 Å²	80.9	1%	0.007	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.9	164.1	-176.6	0	0	0	0	110.6	T50 M51 Y52 I74 V75	T50-S67 WeakPolarHBondContact CG2-OG 2.97Å; M51-S67 WeakPolarHBondContact O-CA 3.35Å; Y52-S67 VanDerWaalsContact CD1-OG 3.25Å; Y52-S67 WeakPolarHBondContact CD1-OG 2.92Å; Y52-S67 WeakPolarHBondContact CE1-OG 3.32Å; S67-I74 WeakPolarHBondContact O-CG1 3.18Å; S67-I74 PolarHBondContact O-N 3.23Å; S67-I74 WeakPolarHBondContact OG-CD1 3.35Å; S67-I74 WeakPolarHBondContact OG-CG1 3.24Å; S67-V75 PolarHBondContact N-O 2.92Å; S67-V75 PolarHBondContact O-N 2.81Å
68	Y	97.5	Very high	91.8	Very high	33 Å²	33	85.2 Å²	85.2	13%	0.129	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.5	179.1	-83.9	-105.6	0	0	0	109.9	T50 M51 F66 K71 Q72 L73 P85 L93	T50-Y68 CarbonylContact C-O 3.57Å; T50-Y68 VanDerWaalsContact CA-O 3.24Å; T50-Y68 WeakPolarHBondContact CA-O 3.47Å; T50-Y68 WeakPolarHBondContact CG2-O 3.3Å; M51-Y68 PolarHBondContact N-O 3.4Å; M51-Y68 PolarHBondContact O-N 3.47Å; F66-Y68 HydrophobicContact CB-CD2 4.38Å; F66-Y68 HydrophobicContact CB-CE2 4.22Å; Y68-K71 WeakPolarHBondContact CD1-O 3.32Å; Y68-Q72 CarbonylContact C-O 3.55Å; Y68-Q72 WeakPolarHBondContact CA-O 3.34Å; Y68-L73 HydrophobicContact CD1-CB 4.48Å; Y68-L73 HydrophobicContact CD2-CD1 3.98Å; Y68-L73 HydrophobicContact CE1-CB 3.92Å; Y68-L73 HydrophobicContact CE1-CD1 4.5Å; Y68-L73 HydrophobicContact CE2-CB 4.26Å; Y68-L73 HydrophobicContact CE2-CD1 3.32Å; Y68-L73 HydrophobicContact CE2-CG 4.38Å; Y68-P85 HydrophobicContact CE2-CB 3.66Å; Y68-P85 HydrophobicContact CE2-CG 3.65Å; Y68-P85 WeakPolarHBondContact OH-CG 3.33Å; Y68-L93 HydrophobicContact CD1-CD1 4.43Å; Y68-L93 HydrophobicContact CD2-CD1 3.46Å; Y68-L93 VanDerWaalsContact CD2-CD1 3.46Å; Y68-L93 HydrophobicContact CD2-CD2 4.24Å; Y68-L93 HydrophobicContact CE2-CD1 3.96Å; Y68-L93 HydrophobicContact CG-CD1 3.74Å
69	N	97.1	Very high	91.8	Very high	54 Å²	54	81.3 Å²	81.3	29%	0.289	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119	169.4	-177.2	-53.1	0	0	0	108.8	D49 T50 K71 Q72 I74	D49-N69 CarbonylContact O-C 3.47Å; D49-N69 WeakPolarHBondContact O-CA 3.32Å; T50-N69 PolarHBondContact OG1-ND2 2.78Å; N69-K71 VanDerWaalsContact C-N 3.25Å; N69-K71 PolarHBondContact O-N 3.24Å; N69-K71 VanDerWaalsContact O-N 3.12Å; N69-Q72 PolarHBondContact N-O 2.77Å; N69-Q72 WeakPolarHBondContact O-CB 2.97Å; N69-Q72 PolarHBondContact O-N 3.25Å; N69-I74 HydrophobicContact CB-CD1 4.12Å; N69-I74 HydrophobicContact CB-CG2 4.13Å
70	N	93.1	Very high	92.1	Very high	68 Å²	68	75.2 Å²	75.2	36%	0.364	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	47.9	178.3	-69.6	-55.5	0	0	0	113.5	D49 Q72 K90	D49-N70 PolarHBondContact O-N 2.87Å; N70-Q72 VanDerWaalsContact C-N 3.26Å; N70-Q72 PolarHBondContact O-N 2.96Å; N70-K90 VanDerWaalsContact OD1-CB 3.29Å; N70-K90 WeakPolarHBondContact OD1-CB 3.33Å; N70-K90 WeakPolarHBondContact OD1-CD 3.48Å
71	K	92.7	Very high	92.8	Very high	117 Å²	117	78.7 Å²	78.7	51%	0.509	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-4	-176.8	-47	167.1	60.6	155.2	0	116.7	Y68 N69 S87 S88	Y68-K71 WeakPolarHBondContact CD1-O 3.32Å; N69-K71 VanDerWaalsContact C-N 3.25Å; N69-K71 PolarHBondContact O-N 3.24Å; N69-K71 VanDerWaalsContact O-N 3.12Å; K71-S87 WeakPolarHBondContact CA-OG 3.32Å; K71-S88 VanDerWaalsContact CD-O 3.22Å; K71-S88 WeakPolarHBondContact CD-O 3.41Å; K71-S88 WeakPolarHBondContact CE-O 3.39Å; K71-S88 PolarHBondContact NZ-O 3.15Å
72	Q	95.7	Very high	93.1	Very high	141 Å²	141	76.1 Å²	76.1	66%	0.659	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.5	177.9	-59.3	-177.9	4.2	0	0	110.1	Y68 N69 N70 I74	Y68-Q72 CarbonylContact C-O 3.55Å; Y68-Q72 WeakPolarHBondContact CA-O 3.34Å; N69-Q72 PolarHBondContact N-O 2.77Å; N69-Q72 WeakPolarHBondContact O-CB 2.97Å; N69-Q72 PolarHBondContact O-N 3.25Å; N70-Q72 VanDerWaalsContact C-N 3.26Å; N70-Q72 PolarHBondContact O-N 2.96Å; Q72-I74 PolarHBondContact O-N 2.91Å
73	L	95	Very high	93.2	Very high	81 Å²	81	72.6 Å²	72.6	42%	0.424	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	119.4	174	178.5	68.3	0	0	0	109.3	F66 Y68 V75 N76	F66-L73 HydrophobicContact CD1-CD1 4.46Å; Y68-L73 HydrophobicContact CD1-CB 4.48Å; Y68-L73 HydrophobicContact CD2-CD1 3.98Å; Y68-L73 HydrophobicContact CE1-CB 3.92Å; Y68-L73 HydrophobicContact CE1-CD1 4.5Å; Y68-L73 HydrophobicContact CE2-CB 4.26Å; Y68-L73 HydrophobicContact CE2-CD1 3.32Å; Y68-L73 HydrophobicContact CE2-CG 4.38Å; L73-V75 VanDerWaalsContact CD1-O 3.22Å; L73-V75 WeakPolarHBondContact CD1-O 3.4Å; L73-N76 HydrophobicContact CD1-CB 4.17Å; L73-N76 HydrophobicContact CD2-CB 4.12Å; L73-N76 HydrophobicContact CG-CB 4.42Å
74	I	94.9	Very high	93.2	Very high	96 Å²	96	68.9 Å²	68.9	49%	0.492	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-26.8	178.7	58.6	165.1	0	0	0	113.1	T50 S67 N69 Q72	T50-I74 HydrophobicContact CG2-CD1 4.05Å; S67-I74 WeakPolarHBondContact O-CG1 3.18Å; S67-I74 PolarHBondContact O-N 3.23Å; S67-I74 WeakPolarHBondContact OG-CD1 3.35Å; S67-I74 WeakPolarHBondContact OG-CG1 3.24Å; N69-I74 HydrophobicContact CB-CD1 4.12Å; N69-I74 HydrophobicContact CB-CG2 4.13Å; Q72-I74 PolarHBondContact O-N 2.91Å
75	V	92.7	Very high	93.2	Very high	48 Å²	48	67.9 Å²	67.9	29%	0.291	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	133.8	175.4	178.6	0	0	0	0	109.1	I64 F66 S67 L73 E77	I64-V75 HydrophobicContact CD1-CG1 4.29Å; I64-V75 HydrophobicContact CG2-CG1 4.5Å; F66-V75 CarbonylContact C-O 3.46Å; F66-V75 VanDerWaalsContact CA-O 3.27Å; F66-V75 WeakPolarHBondContact CA-O 3.22Å; S67-V75 PolarHBondContact N-O 2.92Å; S67-V75 PolarHBondContact O-N 2.81Å; L73-V75 VanDerWaalsContact CD1-O 3.22Å; L73-V75 WeakPolarHBondContact CD1-O 3.4Å; V75-E77 HydrophobicContact CG1-CG 4.07Å
76	N	90.8	Very high	93.2	Very high	86 Å²	86	73.3 Å²	73.3	46%	0.46	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	97.4	173.3	-175.1	5.9	0	0	0	109.6	F66 L73 T78 V79	F66-N76 WeakPolarHBondContact CE1-OD1 3.47Å; L73-N76 HydrophobicContact CD1-CB 4.17Å; L73-N76 HydrophobicContact CD2-CB 4.12Å; L73-N76 HydrophobicContact CG-CB 4.42Å; N76-T78 PolarHBondContact O-N 3.23Å; N76-V79 VanDerWaalsContact OD1-CG2 3.24Å; N76-V79 WeakPolarHBondContact OD1-CG2 3.39Å
77	E	87.7	Confident	93.3	Very high	109 Å²	109	74.1 Å²	74.1	51%	0.509	37%	0.37	S	S	.	.			trans	-87.1	90	-176.1	-77.6	-60.7	157.3	0	0	111.2	I64 M65 V75 V79	I64-E77 HydrophobicContact CG2-CG 3.63Å; I64-E77 WeakPolarHBondContact O-CB 3.22Å; M65-E77 PolarHBondContact O-N 3.36Å; V75-E77 HydrophobicContact CG1-CG 4.07Å; E77-V79 WeakPolarHBondContact O-CG1 3.37Å; E77-V79 PolarHBondContact O-N 2.83Å
78	T	80	Confident	93.3	Very high	139 Å²	139	76.9 Å²	76.9	85%	0.853	39%	0.389	S	S	*	.	S	Bend	trans	31.5	48.5	167.2	-44.9	0	0	0	0	114.5	N76	N76-T78 PolarHBondContact O-N 3.23Å
79	V	84.9	Confident	93.2	Very high	33 Å²	33	78.1 Å²	78.1	20%	0.2	40%	0.398	C	S	.	.			trans	-81.4	147.1	177.6	-70.3	0	0	0	0	110.3	M65 F66 N76 E77 F83	M65-V79 HydrophobicContact CB-CG1 3.92Å; M65-V79 HydrophobicContact CE-CG1 4.21Å; M65-V79 HydrophobicContact CG-CG1 4.36Å; F66-V79 HydrophobicContact CD1-CG2 4.29Å; F66-V79 HydrophobicContact CE1-CB 4.19Å; F66-V79 HydrophobicContact CE1-CG1 4.14Å; F66-V79 HydrophobicContact CE1-CG2 3.18Å; F66-V79 HydrophobicContact CE2-CG1 4.19Å; F66-V79 HydrophobicContact CE2-CG2 4.39Å; F66-V79 HydrophobicContact CZ-CB 3.86Å; F66-V79 HydrophobicContact CZ-CG1 3.77Å; F66-V79 HydrophobicContact CZ-CG2 3.23Å; N76-V79 VanDerWaalsContact OD1-CG2 3.24Å; N76-V79 WeakPolarHBondContact OD1-CG2 3.39Å; E77-V79 WeakPolarHBondContact O-CG1 3.37Å; E77-V79 PolarHBondContact O-N 2.83Å; V79-F83 HydrophobicContact CB-CB 4.39Å
80	P	91.9	Very high	93.1	Very high	54 Å²	54	79.2 Å²	79.2	35%	0.351	40%	0.401	S	S	.	.			trans	-57.2	143.3	171.6	-24.5	34	0	0	0	111.7	R82 F83	P80-R82 HydrophobicContact CB-CG 3.78Å; P80-R82 PolarHBondContact O-N 2.95Å; P80-F83 HydrophobicContact CB-CD2 3.97Å; P80-F83 HydrophobicContact CB-CE2 4.25Å; P80-F83 HydrophobicContact CG-CD2 4.11Å; P80-F83 HydrophobicContact CG-CE2 4.05Å; P80-F83 PolarHBondContact O-N 3.34Å
81	R	93.3	Very high	93.3	Very high	240 Å²	240	77.1 Å²	77.1	91%	0.906	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.8	-177.9	-60	-174.7	-158.7	-93.9	1	114.4	F83	R81-F83 PolarHBondContact O-N 2.91Å
82	R	95.9	Very high	93.6	Very high	43 Å²	43	74 Å²	74	16%	0.162	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.3	173.8	55.9	167.6	-175.6	-87.2	5.9	113	P80 I97 K98 S99 E101 D104	P80-R82 HydrophobicContact CB-CG 3.78Å; P80-R82 PolarHBondContact O-N 2.95Å; R82-I97 WeakPolarHBondContact O-CA 3.33Å; R82-K98 PolarHBondContact O-N 3.12Å; R82-S99 WeakPolarHBondContact CD-O 3.35Å; R82-E101 IonicContact CZ-OE1 3.82Å; R82-E101 IonicContact CZ-OE2 3.43Å; R82-E101 IonicContact NE-OE1 2.81Å; R82-E101 IonicContact NE-OE2 3.41Å; R82-E101 IonicContact NH1-OE1 3.54Å; R82-E101 PolarHBondContact NH1-OE1 3.26Å; R82-E101 IonicContact NH1-OE2 3.51Å; R82-E101 PolarHBondContact NH1-OE2 2.85Å; R82-E101 IonicContact NH2-OE2 2.81Å; R82-E101 PolarHBondContact NH2-OE2 2.82Å; R82-D104 IonicContact CZ-OD1 2.81Å; R82-D104 IonicContact CZ-OD2 3.83Å; R82-D104 IonicContact NE-OD1 3.07Å; R82-D104 PolarHBondContact NE-OD1 2.94Å; R82-D104 IonicContact NE-OD2 3.62Å; R82-D104 PolarHBondContact NE-OD2 3.16Å; R82-D104 IonicContact NH2-OD1 2.85Å; R82-D104 PolarHBondContact NH2-OD1 2.97Å; R82-D104 IonicContact NH2-OD2 2.94Å; R82-D104 PolarHBondContact NH2-OD2 3.45Å
83	F	96.8	Very high	93.7	Very high	10 Å²	10	67.3 Å²	67.3	4%	0.044	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.7	172.4	-68.1	-99.5	0	0	0	109.7	M65 F66 V79 P80 R81 L95 R96 I97 D104 Y108	M65-F83 HydrophobicContact CE-CD1 3.36Å; M65-F83 HydrophobicContact CE-CE1 3.61Å; M65-F83 HydrophobicContact CE-CG 4.12Å; F66-F83 HydrophobicContact CE2-CB 4.35Å; F66-F83 HydrophobicContact CZ-CB 3.95Å; V79-F83 HydrophobicContact CB-CB 4.39Å; P80-F83 HydrophobicContact CB-CD2 3.97Å; P80-F83 HydrophobicContact CB-CE2 4.25Å; P80-F83 HydrophobicContact CG-CD2 4.11Å; P80-F83 HydrophobicContact CG-CE2 4.05Å; P80-F83 PolarHBondContact O-N 3.34Å; R81-F83 PolarHBondContact O-N 2.91Å; F83-L95 HydrophobicContact CD1-CD1 4.23Å; F83-R96 CarbonylContact C-O 3.57Å; F83-R96 WeakPolarHBondContact CA-O 3.49Å; F83-I97 HydrophobicContact CD1-CD1 4Å; F83-I97 HydrophobicContact CD1-CG1 3.71Å; F83-I97 HydrophobicContact CE1-CD1 3.4Å; F83-I97 HydrophobicContact CE1-CG1 3.64Å; F83-I97 HydrophobicContact CE1-CG2 4.28Å; F83-I97 HydrophobicContact CE2-CG2 4.4Å; F83-I97 HydrophobicContact CZ-CD1 4.02Å; F83-I97 HydrophobicContact CZ-CG1 4.38Å; F83-I97 HydrophobicContact CZ-CG2 4.21Å; F83-D104 WeakPolarHBondContact CE2-OD1 3.13Å; F83-D104 HydrophobicContact CZ-CB 4.22Å; F83-D104 VanDerWaalsContact CZ-OD1 3.29Å; F83-D104 WeakPolarHBondContact CZ-OD1 3.3Å; F83-Y108 AromaticContact CE1-CE1 3.84Å; F83-Y108 HydrophobicContact CE1-CE1 3.84Å
84	S	94.8	Very high	93.8	Very high	34 Å²	34	65.1 Å²	65.1	24%	0.238	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	100.4	-175.8	-65.6	0	0	0	0	109.2	R96	S84-R96 PolarHBondContact N-O 3.12Å; S84-R96 PolarHBondContact O-N 3.35Å
85	P	96	Very high	94	Very high	27 Å²	27	60.7 Å²	60.7	18%	0.175	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	143.3	171.2	31.5	-35.8	0	0	0	110.5	F66 Y68 L93 N94	F66-P85 HydrophobicContact CB-CB 4.47Å; F66-P85 HydrophobicContact CD1-CB 4.37Å; F66-P85 HydrophobicContact CD1-CG 3.66Å; F66-P85 HydrophobicContact CD2-CB 4.03Å; F66-P85 HydrophobicContact CD2-CG 4.12Å; F66-P85 HydrophobicContact CE1-CG 3.7Å; F66-P85 HydrophobicContact CE2-CB 4.32Å; F66-P85 HydrophobicContact CE2-CG 4.2Å; F66-P85 HydrophobicContact CG-CB 4.05Å; F66-P85 HydrophobicContact CG-CG 3.85Å; F66-P85 HydrophobicContact CZ-CG 3.99Å; Y68-P85 HydrophobicContact CE2-CB 3.66Å; Y68-P85 HydrophobicContact CE2-CG 3.65Å; Y68-P85 WeakPolarHBondContact OH-CG 3.33Å; P85-L93 HydrophobicContact CB-CD1 4.17Å; P85-N94 CarbonylContact C-O 3.51Å; P85-N94 WeakPolarHBondContact CA-O 3.27Å
86	Q	95.8	Very high	94.2	Very high	123 Å²	123	63.4 Å²	63.4	58%	0.575	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	111.3	177.2	-177.4	179.4	2.5	0	0	109.9	N94	Q86-N94 HydrophobicContact CB-CB 4.45Å; Q86-N94 PolarHBondContact N-O 3.45Å; Q86-N94 PolarHBondContact O-N 3.44Å
87	S	96.9	Very high	94.5	Very high	20 Å²	20	59.5 Å²	59.5	14%	0.14	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.8	174	179.2	0	0	0	0	110.3	K71 D89 H92	K71-S87 WeakPolarHBondContact CA-OG 3.32Å; S87-D89 PolarHBondContact OG-O 2.94Å; S87-H92 WeakPolarHBondContact CA-O 3.34Å; S87-H92 PolarHBondContact OG-O 3.44Å; S87-H92 VanDerWaalsContact OG-O 3.09Å
88	S	95.4	Very high	95	Very high	58 Å²	58	59.9 Å²	59.9	41%	0.406	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-34	176.8	53.1	0	0	0	0	112.4	K71 H92	K71-S88 VanDerWaalsContact CD-O 3.22Å; K71-S88 WeakPolarHBondContact CD-O 3.41Å; K71-S88 WeakPolarHBondContact CE-O 3.39Å; K71-S88 PolarHBondContact NZ-O 3.15Å; S88-H92 WeakPolarHBondContact OG-CB 3.35Å
89	D	95.9	Very high	95.9	Very high	59 Å²	59	55.6 Å²	55.6	32%	0.316	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	-175.5	-178.9	56.3	55.2	0	0	0	109.1	S87 A91 H92	S87-D89 PolarHBondContact OG-O 2.94Å; D89-A91 PolarHBondContact O-N 2.93Å; D89-A91 VanDerWaalsContact OD1-CA 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.4Å; D89-A91 WeakPolarHBondContact OD1-CB 3.47Å; D89-A91 PolarHBondContact OD1-N 3.48Å; D89-H92 VanDerWaalsContact CG-ND1 3.25Å; D89-H92 PolarHBondContact O-N 3.11Å; D89-H92 VanDerWaalsContact O-O 3.09Å; D89-H92 IonicContact OD1-CE1 3.07Å; D89-H92 IonicContact OD1-CG 2.68Å; D89-H92 PolarHBondContact OD1-N 2.81Å; D89-H92 IonicContact OD1-ND1 2.9Å; D89-H92 PolarHBondContact OD1-ND1 3.21Å; D89-H92 IonicContact OD2-CE1 2.71Å; D89-H92 IonicContact OD2-ND1 3.12Å; D89-H92 PolarHBondContact OD2-ND1 3.06Å
90	K	96.1	Very high	96.5	Very high	78 Å²	78	55 Å²	55	34%	0.339	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.5	179.6	74.8	174.5	-169.7	153.7	0	115	Q44 G47 D49 N70	Q44-K90 PolarHBondContact NE2-O 2.92Å; G47-K90 PolarHBondContact O-NZ 3Å; D49-K90 IonicContact OD1-NZ 2.91Å; D49-K90 PolarHBondContact OD1-NZ 3.03Å; N70-K90 VanDerWaalsContact OD1-CB 3.29Å; N70-K90 WeakPolarHBondContact OD1-CB 3.33Å; N70-K90 WeakPolarHBondContact OD1-CD 3.48Å
91	A	97.1	Very high	96.7	Very high	24 Å²	24	55.2 Å²	55.2	20%	0.198	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-10.9	179.2	0	0	0	0	0	113	K43 Q44 D89	K43-A91 CarbonylContact C-O 3.58Å; K43-A91 WeakPolarHBondContact CA-O 3.5Å; Q44-A91 PolarHBondContact N-O 2.92Å; D89-A91 PolarHBondContact O-N 2.93Å; D89-A91 VanDerWaalsContact OD1-CA 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.4Å; D89-A91 WeakPolarHBondContact OD1-CB 3.47Å; D89-A91 PolarHBondContact OD1-N 3.48Å
92	H	98.1	Very high	96.8	Very high	51 Å²	51	47.8 Å²	47.8	24%	0.236	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.9	-177.1	-56.3	87.1	0	0	0	113.2	C42 K43 M51 S87 S88 D89	C42-H92 WeakPolarHBondContact O-CA 3.18Å; K43-H92 WeakPolarHBondContact CD-NE2 3.23Å; M51-H92 VanDerWaalsContact SD-C 3.57Å; M51-H92 PolarHBondContact SD-N 3.13Å; M51-H92 VanDerWaalsContact SD-N 3.43Å; S87-H92 WeakPolarHBondContact CA-O 3.34Å; S87-H92 PolarHBondContact OG-O 3.44Å; S87-H92 VanDerWaalsContact OG-O 3.09Å; S88-H92 WeakPolarHBondContact OG-CB 3.35Å; D89-H92 VanDerWaalsContact CG-ND1 3.25Å; D89-H92 PolarHBondContact O-N 3.11Å; D89-H92 VanDerWaalsContact O-O 3.09Å; D89-H92 IonicContact OD1-CE1 3.07Å; D89-H92 IonicContact OD1-CG 2.68Å; D89-H92 PolarHBondContact OD1-N 2.81Å; D89-H92 IonicContact OD1-ND1 2.9Å; D89-H92 PolarHBondContact OD1-ND1 3.21Å; D89-H92 IonicContact OD2-CE1 2.71Å; D89-H92 IonicContact OD2-ND1 3.12Å; D89-H92 PolarHBondContact OD2-ND1 3.06Å
93	L	97.9	Very high	96.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	91.5	171.8	-179.3	62.3	0	0	0	109.2	C42 M51 W53 Y68 P85	C42-L93 WeakPolarHBondContact CB-O 3.22Å; C42-L93 PolarHBondContact O-N 2.88Å; C42-L93 VanDerWaalsContact O-N 3.11Å; M51-L93 HydrophobicContact CB-CB 3.77Å; M51-L93 HydrophobicContact CB-CD2 3.73Å; M51-L93 HydrophobicContact CB-CG 4.39Å; M51-L93 HydrophobicContact CE-CB 4.23Å; M51-L93 HydrophobicContact CG-CB 4.48Å; M51-L93 HydrophobicContact SD-CB 3.95Å; W53-L93 PolarHBondContact NE1-O 2.81Å; Y68-L93 HydrophobicContact CD1-CD1 4.43Å; Y68-L93 HydrophobicContact CD2-CD1 3.46Å; Y68-L93 VanDerWaalsContact CD2-CD1 3.46Å; Y68-L93 HydrophobicContact CD2-CD2 4.24Å; Y68-L93 HydrophobicContact CE2-CD1 3.96Å; Y68-L93 HydrophobicContact CG-CD1 3.74Å; P85-L93 HydrophobicContact CB-CD1 4.17Å
94	N	98	Very high	96.5	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.193	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	153.2	179	-62.1	-17.8	0	0	0	110.7	F40 N41 C42 P85 Q86	F40-N94 CarbonylContact O-C 3.5Å; F40-N94 VanDerWaalsContact O-CA 3.3Å; F40-N94 WeakPolarHBondContact O-CA 3.37Å; N41-N94 VanDerWaalsContact CA-OD1 3.26Å; N41-N94 WeakPolarHBondContact CA-OD1 3.43Å; N41-N94 PolarHBondContact OD1-ND2 3.46Å; C42-N94 PolarHBondContact N-OD1 3.02Å; C42-N94 VanDerWaalsContact N-OD1 3.15Å; P85-N94 CarbonylContact C-O 3.51Å; P85-N94 WeakPolarHBondContact CA-O 3.27Å; Q86-N94 HydrophobicContact CB-CB 4.45Å; Q86-N94 PolarHBondContact N-O 3.45Å; Q86-N94 PolarHBondContact O-N 3.44Å
95	L	97.9	Very high	96.5	Very high	2 Å²	2	54 Å²	54	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121	177.2	177.8	63.7	0	0	0	109.7	S39 F40 W53 M65 F66 F83 Y108	S39-L95 CarbonylContact C-O 3.55Å; S39-L95 WeakPolarHBondContact CA-O 3.31Å; F40-L95 HydrophobicContact CB-CB 4.38Å; F40-L95 HydrophobicContact CD2-CB 4.49Å; F40-L95 HydrophobicContact CD2-CD2 4.31Å; F40-L95 HydrophobicContact CD2-CG 4.46Å; F40-L95 PolarHBondContact N-O 2.82Å; F40-L95 PolarHBondContact O-N 2.87Å; W53-L95 HydrophobicContact CD2-CB 4.07Å; W53-L95 HydrophobicContact CD2-CD2 4.03Å; W53-L95 HydrophobicContact CE3-CD2 4.1Å; W53-L95 HydrophobicContact CG-CB 4.39Å; W53-L95 HydrophobicContact CG-CD2 4.36Å; W53-L95 HydrophobicContact CZ2-CB 3.87Å; M65-L95 HydrophobicContact CE-CD2 4.28Å; M65-L95 HydrophobicContact SD-CD2 4.44Å; F66-L95 HydrophobicContact CD2-CD1 4.41Å; F66-L95 HydrophobicContact CE2-CD1 3.8Å; F83-L95 HydrophobicContact CD1-CD1 4.23Å; L95-Y108 HydrophobicContact CD2-CD1 3.91Å; L95-Y108 HydrophobicContact CD2-CE1 4.4Å
96	R	97.7	Very high	96.5	Very high	106 Å²	106	54.3 Å²	54.3	40%	0.4	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.2	173.8	-176.9	173.9	175.3	160.3	6.3	110.2	E37 V38 F83 S84	E37-R96 HydrophobicContact CG-CG 4.26Å; E37-R96 IonicContact OE1-CZ 3.54Å; E37-R96 IonicContact OE1-NE 3.95Å; E37-R96 PolarHBondContact OE1-NE 2.78Å; E37-R96 VanDerWaalsContact OE1-NE 3.12Å; E37-R96 IonicContact OE1-NH2 2.68Å; E37-R96 PolarHBondContact OE1-NH2 3.28Å; E37-R96 IonicContact OE2-CZ 3.8Å; E37-R96 IonicContact OE2-NE 2.94Å; E37-R96 PolarHBondContact OE2-NE 2.81Å; E37-R96 IonicContact OE2-NH2 2.68Å; E37-R96 PolarHBondContact OE2-NH2 3.48Å; V38-R96 WeakPolarHBondContact O-CA 3.37Å; F83-R96 CarbonylContact C-O 3.57Å; F83-R96 WeakPolarHBondContact CA-O 3.49Å; S84-R96 PolarHBondContact N-O 3.12Å; S84-R96 PolarHBondContact O-N 3.35Å
97	I	97.4	Very high	96.5	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	108.2	172.6	-46.2	176.2	0	0	0	106.7	E37 V38 F40 R82 F83 S99 V100	E37-I97 VanDerWaalsContact CA-O 3.32Å; E37-I97 WeakPolarHBondContact CA-O 3.29Å; E37-I97 WeakPolarHBondContact CG-O 3.35Å; V38-I97 HydrophobicContact CG2-CB 3.76Å; V38-I97 HydrophobicContact CG2-CD1 3.81Å; V38-I97 HydrophobicContact CG2-CG1 3.94Å; V38-I97 PolarHBondContact N-O 3.32Å; V38-I97 PolarHBondContact O-N 2.9Å; F40-I97 HydrophobicContact CE2-CD1 4.06Å; R82-I97 WeakPolarHBondContact O-CA 3.33Å; F83-I97 HydrophobicContact CD1-CD1 4Å; F83-I97 HydrophobicContact CD1-CG1 3.71Å; F83-I97 HydrophobicContact CE1-CD1 3.4Å; F83-I97 HydrophobicContact CE1-CG1 3.64Å; F83-I97 HydrophobicContact CE1-CG2 4.28Å; F83-I97 HydrophobicContact CE2-CG2 4.4Å; F83-I97 HydrophobicContact CZ-CD1 4.02Å; F83-I97 HydrophobicContact CZ-CG1 4.38Å; F83-I97 HydrophobicContact CZ-CG2 4.21Å; I97-S99 PolarHBondContact O-N 2.93Å; I97-V100 HydrophobicContact CB-CG2 4.3Å; I97-V100 HydrophobicContact CG2-CG2 4.07Å
98	K	97.7	Very high	96.5	Very high	118 Å²	118	52.5 Å²	52.5	51%	0.513	29%	0.286	S	S	.	.	S	Bend	trans	-66	-35.3	-169.8	-67.5	178.5	-179.2	174.2	0	114.1	R82	R82-K98 PolarHBondContact O-N 3.12Å
99	S	97.7	Very high	96.5	Very high	48 Å²	48	52.9 Å²	52.9	34%	0.336	28%	0.283	S	S	.	.	S	Bend	trans	-147.3	104.6	-179.6	169.2	0	0	0	0	107.5	R82 I97	R82-S99 WeakPolarHBondContact CD-O 3.35Å; I97-S99 PolarHBondContact O-N 2.93Å
100	V	97.5	Very high	96.6	Very high	20 Å²	20	50.7 Å²	50.7	12%	0.121	27%	0.272	C	S	.	.			trans	-70.7	134.7	-178.7	171.6	0	0	0	0	110.8	T32 V34 G35 N36 V38 I97 D104	T32-V100 HydrophobicContact CG2-CB 4.29Å; T32-V100 HydrophobicContact CG2-CG1 4.32Å; T32-V100 HydrophobicContact CG2-CG2 4.16Å; V34-V100 WeakPolarHBondContact CA-O 3.24Å; G35-V100 PolarHBondContact N-O 2.88Å; N36-V100 WeakPolarHBondContact O-CG2 3.13Å; N36-V100 PolarHBondContact O-N 2.92Å; V38-V100 HydrophobicContact CB-CG2 4.36Å; V38-V100 HydrophobicContact CG1-CG2 3.86Å; V38-V100 HydrophobicContact CG2-CG2 3.6Å; I97-V100 HydrophobicContact CB-CG2 4.3Å; I97-V100 HydrophobicContact CG2-CG2 4.07Å; V100-D104 HydrophobicContact CG1-CB 4.31Å
101	E	97	Very high	96.6	Very high	59 Å²	59	48.5 Å²	48.5	28%	0.276	27%	0.269	S	S	.	.			trans	-111.8	158.3	171.6	-67.2	166.2	-161.6	0	0	110.6	R82 E103 D104	R82-E101 IonicContact CZ-OE1 3.82Å; R82-E101 IonicContact CZ-OE2 3.43Å; R82-E101 IonicContact NE-OE1 2.81Å; R82-E101 IonicContact NE-OE2 3.41Å; R82-E101 IonicContact NH1-OE1 3.54Å; R82-E101 PolarHBondContact NH1-OE1 3.26Å; R82-E101 IonicContact NH1-OE2 3.51Å; R82-E101 PolarHBondContact NH1-OE2 2.85Å; R82-E101 IonicContact NH2-OE2 2.81Å; R82-E101 PolarHBondContact NH2-OE2 2.82Å; E101-E103 HydrophobicContact CB-CG 4.14Å; E101-E103 WeakPolarHBondContact CB-OE2 3.49Å; E101-E103 PolarHBondContact O-N 2.85Å; E101-D104 PolarHBondContact N-OD2 3.4Å; E101-D104 VanDerWaalsContact O-CB 3.28Å; E101-D104 WeakPolarHBondContact O-CB 3.08Å; E101-D104 PolarHBondContact O-N 2.89Å
102	P	95	Very high	96.6	Very high	85 Å²	85	48.2 Å²	48.2	55%	0.552	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-52.4	-38	-179.8	-28.8	36.7	0	0	0	114.6	V34 D104 S105	V34-P102 HydrophobicContact CG2-CG 4.03Å; P102-D104 PolarHBondContact O-N 3.25Å; P102-S105 VanDerWaalsContact O-CB 3.31Å; P102-S105 WeakPolarHBondContact O-CB 3.43Å; P102-S105 PolarHBondContact O-N 3.28Å; P102-S105 PolarHBondContact O-OG 3.42Å
103	E	93.1	Very high	96.5	Very high	116 Å²	116	50.1 Å²	50.1	54%	0.542	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-66.9	-10.6	175.8	60.9	-101.3	-124.4	0	0	115	K55 E101 S105	K55-E103 PolarHBondContact NZ-O 3.17Å; E101-E103 HydrophobicContact CB-CG 4.14Å; E101-E103 WeakPolarHBondContact CB-OE2 3.49Å; E101-E103 PolarHBondContact O-N 2.85Å; E103-S105 VanDerWaalsContact C-N 3.25Å
104	D	94.6	Very high	96.4	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.032	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-82.2	-8.2	175.5	-61	-30.3	0	0	0	112	K55 R82 F83 V100 E101 P102 A106 Y108	K55-D104 IonicContact NZ-OD1 3.65Å; R82-D104 IonicContact CZ-OD1 2.81Å; R82-D104 IonicContact CZ-OD2 3.83Å; R82-D104 IonicContact NE-OD1 3.07Å; R82-D104 PolarHBondContact NE-OD1 2.94Å; R82-D104 IonicContact NE-OD2 3.62Å; R82-D104 PolarHBondContact NE-OD2 3.16Å; R82-D104 IonicContact NH2-OD1 2.85Å; R82-D104 PolarHBondContact NH2-OD1 2.97Å; R82-D104 IonicContact NH2-OD2 2.94Å; R82-D104 PolarHBondContact NH2-OD2 3.45Å; F83-D104 WeakPolarHBondContact CE2-OD1 3.13Å; F83-D104 HydrophobicContact CZ-CB 4.22Å; F83-D104 VanDerWaalsContact CZ-OD1 3.29Å; F83-D104 WeakPolarHBondContact CZ-OD1 3.3Å; V100-D104 HydrophobicContact CG1-CB 4.31Å; E101-D104 PolarHBondContact N-OD2 3.4Å; E101-D104 VanDerWaalsContact O-CB 3.28Å; E101-D104 WeakPolarHBondContact O-CB 3.08Å; E101-D104 PolarHBondContact O-N 2.89Å; P102-D104 PolarHBondContact O-N 3.25Å; D104-A106 PolarHBondContact O-N 3.3Å; D104-Y108 VanDerWaalsContact O-CE2 3.32Å; D104-Y108 WeakPolarHBondContact O-CE2 3.25Å; D104-Y108 PolarHBondContact O-OH 3.27Å
105	S	94.8	Very high	96.3	Very high	96 Å²	96	53.5 Å²	53.5	67%	0.671	30%	0.304	S	S	*	.			trans	-62.8	105	172.2	-56.1	0	0	0	0	110.7	P102 E103	P102-S105 VanDerWaalsContact O-CB 3.31Å; P102-S105 WeakPolarHBondContact O-CB 3.43Å; P102-S105 PolarHBondContact O-N 3.28Å; P102-S105 PolarHBondContact O-OG 3.42Å; E103-S105 VanDerWaalsContact C-N 3.25Å
106	A	95.5	Very high	96.2	Very high	33 Å²	33	56.4 Å²	56.4	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-162.2	172.5	-173.5	0	0	0	0	0	110.6	K55 Q56 D104 Y108	K55-A106 HydrophobicContact CD-CB 4.18Å; K55-A106 VanDerWaalsContact CE-CB 3.42Å; K55-A106 HydrophobicContact CG-CB 3.69Å; Q56-A106 WeakPolarHBondContact O-CB 3.33Å; D104-A106 PolarHBondContact O-N 3.3Å; A106-Y108 HydrophobicContact CB-CE2 3.92Å
107	V	95.8	Very high	96.2	Very high	77 Å²	77	53.5 Å²	53.5	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	131.2	165.6	179.7	0	0	0	0	108.5	Q56 L109	Q56-V107 HydrophobicContact CB-CB 4.23Å; Q56-V107 PolarHBondContact N-O 3.49Å; Q56-V107 PolarHBondContact O-N 3.22Å; V107-L109 HydrophobicContact CG1-CD2 3.89Å; V107-L109 HydrophobicContact CG1-CG 4.06Å
108	Y	96.5	Very high	96.1	Very high	28 Å²	28	56.6 Å²	56.6	11%	0.11	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.6	177.5	-65.8	-90.6	0	0	0	109.8	Q25 Y54 K55 M65 F83 L95 D104 A106	Q25-Y108 PolarHBondContact NE2-O 3.31Å; Y54-Y108 CarbonylContact O-C 3.51Å; Y54-Y108 WeakPolarHBondContact O-CA 3.33Å; K55-Y108 HydrophobicContact CB-CD1 4.32Å; K55-Y108 HydrophobicContact CB-CE1 4.14Å; K55-Y108 HydrophobicContact CD-CE1 3.89Å; K55-Y108 WeakPolarHBondContact CE-OH 3.11Å; K55-Y108 HydrophobicContact CG-CD1 4.33Å; K55-Y108 HydrophobicContact CG-CE1 3.81Å; M65-Y108 HydrophobicContact CE-CD1 4.32Å; M65-Y108 HydrophobicContact CE-CE1 3.92Å; M65-Y108 HydrophobicContact SD-CD1 3.78Å; M65-Y108 HydrophobicContact SD-CE1 3.88Å; F83-Y108 AromaticContact CE1-CE1 3.84Å; F83-Y108 HydrophobicContact CE1-CE1 3.84Å; L95-Y108 HydrophobicContact CD2-CD1 3.91Å; L95-Y108 HydrophobicContact CD2-CE1 4.4Å; D104-Y108 VanDerWaalsContact O-CE2 3.32Å; D104-Y108 WeakPolarHBondContact O-CE2 3.25Å; D104-Y108 PolarHBondContact O-OH 3.27Å; A106-Y108 HydrophobicContact CB-CE2 3.92Å
109	L	96.2	Very high	96	Very high	66 Å²	66	52.5 Å²	52.5	35%	0.346	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.8	-176.7	-61.1	174.5	0	0	0	110.1	W53 Y54 L62 V107	W53-L109 CarbonylContact C-O 3.59Å; W53-L109 WeakPolarHBondContact CA-O 3.34Å; Y54-L109 PolarHBondContact N-O 3.03Å; Y54-L109 PolarHBondContact O-N 3.4Å; L62-L109 HydrophobicContact CD1-CD1 3.94Å; V107-L109 HydrophobicContact CG1-CD2 3.89Å; V107-L109 HydrophobicContact CG1-CG 4.06Å
110	C	97.1	Very high	95.8	Very high	13 Å²	13	52.9 Å²	52.9	9%	0.088	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.6	173.1	-176.7	0	0	0	0	109.6	Q25 C42 Y52 W53	Q25-C110 VanDerWaalsContact CD-CB 3.49Å; Q25-C110 VanDerWaalsContact CD-N 3.34Å; Q25-C110 HydrophobicContact CG-CB 3.7Å; Q25-C110 VanDerWaalsContact NE2-CB 3.26Å; C42-C110 HydrophobicContact CB-CB 3.6Å; C42-C110 WeakPolarHBondContact CB-SG 3.47Å; C42-C110 WeakPolarHBondContact SG-CB 3.29Å; C42-C110 CovalentContact SG-SG 2Å; C42-C110 PolarHBondContact SG-SG 3.22Å; Y52-C110 VanDerWaalsContact O-CA 3.32Å; Y52-C110 WeakPolarHBondContact O-CA 3.33Å; Y52-C110 PolarHBondContact O-SG 3.05Å; W53-C110 HydrophobicContact CD2-CB 4.2Å; W53-C110 HydrophobicContact CE3-CB 4.12Å; W53-C110 HydrophobicContact CH2-CB 3.99Å; W53-C110 HydrophobicContact CZ2-CB 4.05Å; W53-C110 HydrophobicContact CZ3-CB 4.02Å
111	A	97.1	Very high	95.7	Very high	32 Å²	32	55.4 Å²	55.4	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	171.4	178.4	0	0	0	0	0	111	M51 Y52 Y54	M51-A111 WeakPolarHBondContact CA-O 3.32Å; Y52-A111 HydrophobicContact CD2-CB 4.23Å; Y52-A111 PolarHBondContact N-O 3.34Å; Y52-A111 PolarHBondContact O-N 3.47Å; Y52-A111 VanDerWaalsContact O-N 3.13Å; Y54-A111 HydrophobicContact CE2-CB 4.05Å
112	S	96.6	Very high	95.6	Very high	18 Å²	18	55.1 Å²	55.1	13%	0.126	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.3	173.3	63.9	0	0	0	0	111.9	H48 T50	H48-S112 PolarHBondContact ND1-O 2.78Å; H48-S112 VanDerWaalsContact ND1-O 3.16Å; H48-S112 PolarHBondContact ND1-OG 3.04Å; T50-S112 CarbonylContact O-C 3.59Å; T50-S112 WeakPolarHBondContact O-CA 3.31Å; T50-S112 WeakPolarHBondContact O-CB 3.4Å
113	S	95	Very high	95.7	Very high	91 Å²	91	52.4 Å²	52.4	64%	0.636	32%	0.323	S	S	*	.			trans	-152.2	0	174.8	-173.8	0	0	0	0	113	H48 D49 T50	H48-S113 VanDerWaalsContact CB-C 3.43Å; H48-S113 WeakPolarHBondContact CB-O 3.49Å; H48-S113 VanDerWaalsContact CG-C 3.4Å; H48-S113 VanDerWaalsContact ND1-CA 3.33Å; H48-S113 WeakPolarHBondContact ND1-CA 3.25Å; H48-S113 PolarHBondContact ND1-N 3.29Å; D49-S113 PolarHBondContact N-O 3.24Å; D49-S113 VanDerWaalsContact N-O 3.17Å; T50-S113 PolarHBondContact N-O 3.28Å; T50-S113 PolarHBondContact O-N 3.38Å

Retrieved 113 of 113 residues in 81.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).