A0A075B633_MOUSE Loading...

T cell receptor alpha variable 8n-2

AlphaFold DB , UniProt , Accession A0A075B633, Species MOUSE (Mus musculus, Mouse), Gene Trav8n-2, Length 112 aa.

						>A0A075B633_MOUSE|A0A075B633|Trav8n-2
MNRFLGISLVTLWFQVAWAKSQWGEENLQALSIQEGEDVTMNCSYKTYTTVVQWYRQKSGKGPAQLILIRSNEREKRSGRLRATLDTSSQSSSLSITGTLATDTAVYFCATD
					

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(Predicted Aligned Error values between residue pairs)

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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	50.1	Low	65.1	Low	231 Å²	231	126.9 Å²	126.9	100%	1.138	66%	0.659	S	S	*	*				0	69.6	0	-163.2	160.7	70.7	0	0	108.8
2	N	57.6	Low	66.3	Low	142 Å²	142	125.3 Å²	125.3	76%	0.759	65%	0.651	S	S	*	*			trans	-149.6	8.4	-175.1	-97.9	-4.5	0	0	0	113.9
3	R	57.1	Low	67.3	Low	224 Å²	224	129.7 Å²	129.7	85%	0.845	65%	0.654	S	S	*	*	S	Bend	trans	-84.8	-18.7	-178.4	-89.2	177.5	67.7	-156.6	1.7	114.4
4	F	58.2	Low	68.3	Low	183 Å²	183	131.4 Å²	131.4	80%	0.803	66%	0.655	S	S	*	*	H	α-helix	trans	-82.7	-23.8	-178	-67.9	-72.1	0	0	0	114	G6	F4-G6 VanDerWaalsContact C-N 3.34Å; F4-G6 PolarHBondContact O-N 3.46Å
5	L	61.4	Low	69.1	Low	124 Å²	124	130.8 Å²	130.8	65%	0.649	65%	0.65	S	S	*	*	H	α-helix	trans	-67.1	-34	175.4	-92.2	102.1	0	0	0	112.8	I7 S8 L9	L5-I7 PolarHBondContact O-N 3.48Å; L5-S8 PolarHBondContact O-N 3.39Å; L5-L9 PolarHBondContact O-N 3.42Å
6	G	62.1	Low	69.7	Low	44 Å²	44	126.4 Å²	126.4	45%	0.454	63%	0.632	S	S	.	*	H	α-helix	trans	-64.9	-37.7	-179.1	0	0	0	0	0	113.6	F4	F4-G6 VanDerWaalsContact C-N 3.34Å; F4-G6 PolarHBondContact O-N 3.46Å
7	I	62.2	Low	70.4	Confident	111 Å²	111	122.4 Å²	122.4	57%	0.569	62%	0.624	S	S	*	*	H	α-helix	trans	-70.4	-37.6	179.8	-60.4	172.4	0	0	0	110.6	L5 L9 V10 T11	L5-I7 PolarHBondContact O-N 3.48Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 3.38Å; I7-V10 PolarHBondContact O-N 3.24Å; I7-T11 PolarHBondContact O-N 3.45Å
8	S	73.1	Confident	70.9	Confident	71 Å²	71	124.3 Å²	124.3	50%	0.497	62%	0.622	S	S	.	*	H	α-helix	trans	-64.9	-31.4	179.8	-174	0	0	0	0	113.4	L5 T11 L12	L5-S8 PolarHBondContact O-N 3.39Å; S8-T11 PolarHBondContact O-OG1 3.39Å; S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 3.2Å
9	L	76.3	Confident	71.3	Confident	101 Å²	101	119.8 Å²	119.8	53%	0.529	61%	0.606	S	S	.	*	H	α-helix	trans	-71.3	-45.6	177.9	-76.1	162.1	0	0	0	111	L5 I7 T11 L12 W13	L5-L9 PolarHBondContact O-N 3.42Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 3.38Å; L9-T11 PolarHBondContact O-N 3.4Å; L9-L12 WeakPolarHBondContact O-CB 3.5Å; L9-L12 PolarHBondContact O-N 3.41Å; L9-W13 PolarHBondContact O-N 3.36Å
10	V	79	Confident	71.5	Confident	86 Å²	86	121.4 Å²	121.4	52%	0.521	61%	0.608	S	S	.	*	H	α-helix	trans	-61.8	-43.4	-176.7	178.7	0	0	0	0	112	I7 L12 W13 F14	I7-V10 PolarHBondContact O-N 3.24Å; V10-L12 VanDerWaalsContact C-N 3.34Å; V10-W13 PolarHBondContact O-N 3.47Å; V10-F14 HydrophobicContact CG1-CD2 4.18Å; V10-F14 HydrophobicContact CG1-CE2 4.38Å; V10-F14 PolarHBondContact O-N 3.29Å; V10-F14 VanDerWaalsContact O-N 3.08Å
11	T	79.1	Confident	71.5	Confident	79 Å²	79	119.9 Å²	119.9	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-65.1	-40.2	177.3	57.1	0	0	0	0	111.5	I7 S8 L9 W13 F14 Q15	I7-T11 PolarHBondContact O-N 3.45Å; S8-T11 PolarHBondContact O-OG1 3.39Å; L9-T11 PolarHBondContact O-N 3.4Å; T11-W13 PolarHBondContact O-N 2.96Å; T11-F14 PolarHBondContact O-N 3.36Å; T11-Q15 VanDerWaalsContact O-CG 3.31Å; T11-Q15 WeakPolarHBondContact O-CG 3.48Å; T11-Q15 PolarHBondContact O-N 3.25Å
12	L	79.9	Confident	72.3	Confident	108 Å²	108	115.5 Å²	115.5	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-61.3	-43.3	175.9	-141.3	98.2	0	0	0	111.5	S8 L9 V10 F14 Q15 V16	S8-L12 WeakPolarHBondContact O-CB 3.45Å; S8-L12 PolarHBondContact O-N 3.2Å; L9-L12 WeakPolarHBondContact O-CB 3.5Å; L9-L12 PolarHBondContact O-N 3.41Å; V10-L12 VanDerWaalsContact C-N 3.34Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-F14 PolarHBondContact O-N 2.98Å; L12-Q15 PolarHBondContact O-N 3.08Å; L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.28Å; L12-V16 PolarHBondContact O-N 2.83Å
13	W	79.1	Confident	72.2	Confident	182 Å²	182	119 Å²	119	69%	0.689	59%	0.589	S	S	*	*	H	α-helix	trans	-60	-42.8	175.5	-78.9	107.9	0	0	0	112.2	L9 V10 T11 V16 A17	L9-W13 PolarHBondContact O-N 3.36Å; V10-W13 PolarHBondContact O-N 3.47Å; T11-W13 PolarHBondContact O-N 2.96Å; W13-V16 PolarHBondContact O-N 3.34Å; W13-A17 VanDerWaalsContact O-CB 3.28Å; W13-A17 WeakPolarHBondContact O-CB 3.23Å; W13-A17 PolarHBondContact O-N 2.9Å
14	F	81.1	Confident	71.8	Confident	153 Å²	153	111.1 Å²	111.1	67%	0.671	58%	0.577	S	S	*	*	H	α-helix	trans	-63.5	-43.4	176	-99.2	-85.9	0	0	0	112.4	V10 T11 L12 V16 A17 W18	V10-F14 HydrophobicContact CG1-CD2 4.18Å; V10-F14 HydrophobicContact CG1-CE2 4.38Å; V10-F14 PolarHBondContact O-N 3.29Å; V10-F14 VanDerWaalsContact O-N 3.08Å; T11-F14 PolarHBondContact O-N 3.36Å; L12-F14 VanDerWaalsContact C-N 3.34Å; L12-F14 PolarHBondContact O-N 2.98Å; F14-V16 VanDerWaalsContact C-N 3.34Å; F14-V16 PolarHBondContact O-N 3.38Å; F14-A17 PolarHBondContact O-N 2.91Å; F14-W18 WeakPolarHBondContact O-CB 3.31Å; F14-W18 PolarHBondContact O-N 3.5Å
15	Q	79.8	Confident	71.7	Confident	123 Å²	123	111.8 Å²	111.8	58%	0.575	58%	0.582	S	S	*	*	H	α-helix	trans	-62.7	-41.9	176.1	-65.9	-65.3	-62.7	0	0	111.3	T11 L12 A19	T11-Q15 VanDerWaalsContact O-CG 3.31Å; T11-Q15 WeakPolarHBondContact O-CG 3.48Å; T11-Q15 PolarHBondContact O-N 3.25Å; L12-Q15 PolarHBondContact O-N 3.08Å; Q15-A19 VanDerWaalsContact O-CB 3.29Å; Q15-A19 WeakPolarHBondContact O-CB 3.45Å; Q15-A19 PolarHBondContact O-N 3Å
16	V	79.7	Confident	71.8	Confident	60 Å²	60	113.3 Å²	113.3	36%	0.364	59%	0.586	S	S	.	*	H	α-helix	trans	-67.3	-40.9	177.1	172.9	0	0	0	0	111.5	L12 W13 F14 A19 K20	L12-V16 WeakPolarHBondContact O-CB 3.3Å; L12-V16 VanDerWaalsContact O-CG2 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.28Å; L12-V16 PolarHBondContact O-N 2.83Å; W13-V16 PolarHBondContact O-N 3.34Å; F14-V16 VanDerWaalsContact C-N 3.34Å; F14-V16 PolarHBondContact O-N 3.38Å; V16-A19 PolarHBondContact O-N 3.4Å; V16-K20 HydrophobicContact CG1-CD 4.24Å; V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 VanDerWaalsContact O-CG 3.3Å; V16-K20 WeakPolarHBondContact O-CG 3.36Å; V16-K20 PolarHBondContact O-N 3.5Å
17	A	81.5	Confident	72	Confident	59 Å²	59	117.9 Å²	117.9	49%	0.488	60%	0.6	S	S	.	*	H	α-helix	trans	-66.3	-43	177.6	0	0	0	0	0	111.7	W13 F14 K20 S21	W13-A17 VanDerWaalsContact O-CB 3.28Å; W13-A17 WeakPolarHBondContact O-CB 3.23Å; W13-A17 PolarHBondContact O-N 2.9Å; F14-A17 PolarHBondContact O-N 2.91Å; A17-K20 PolarHBondContact O-N 2.88Å; A17-S21 PolarHBondContact O-N 3.37Å
18	W	79.4	Confident	72.8	Confident	157 Å²	157	119.1 Å²	119.1	60%	0.595	61%	0.607	S	S	*	*	H	α-helix	trans	-64.1	-46.5	175.3	-173.9	7.4	0	0	0	111.1	F14 K20 S21 Q22	F14-W18 WeakPolarHBondContact O-CB 3.31Å; F14-W18 PolarHBondContact O-N 3.5Å; W18-K20 PolarHBondContact O-N 2.88Å; W18-S21 PolarHBondContact O-N 2.91Å; W18-S21 VanDerWaalsContact O-N 3.1Å; W18-S21 PolarHBondContact O-OG 3.39Å; W18-Q22 PolarHBondContact O-N 3.15Å
19	A	77.9	Confident	73.5	Confident	38 Å²	38	121.7 Å²	121.7	31%	0.314	61%	0.612	S	S	.	*	H	α-helix	trans	-54.3	-53.1	173.5	0	0	0	0	0	110.4	Q15 V16 S21 Q22 W23	Q15-A19 VanDerWaalsContact O-CB 3.29Å; Q15-A19 WeakPolarHBondContact O-CB 3.45Å; Q15-A19 PolarHBondContact O-N 3Å; V16-A19 PolarHBondContact O-N 3.4Å; A19-S21 PolarHBondContact O-N 3.08Å; A19-S21 VanDerWaalsContact O-N 3.16Å; A19-Q22 WeakPolarHBondContact O-CB 3.29Å; A19-Q22 PolarHBondContact O-N 3.06Å; A19-W23 PolarHBondContact O-N 2.89Å
20	K	76.1	Confident	74.2	Confident	152 Å²	152	121.8 Å²	121.8	66%	0.661	63%	0.627	S	S	*	*	H	α-helix	trans	-56.2	-35.2	178	-74.5	178.8	177.3	-171	0	113.8	V16 A17 W18 Q22 W23	V16-K20 HydrophobicContact CG1-CD 4.24Å; V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 VanDerWaalsContact O-CG 3.3Å; V16-K20 WeakPolarHBondContact O-CG 3.36Å; V16-K20 PolarHBondContact O-N 3.5Å; A17-K20 PolarHBondContact O-N 2.88Å; W18-K20 PolarHBondContact O-N 2.88Å; K20-Q22 VanDerWaalsContact C-N 3.25Å; K20-Q22 PolarHBondContact O-N 3.32Å; K20-W23 PolarHBondContact O-N 2.99Å
21	S	71.2	Confident	74.8	Confident	89 Å²	89	122.4 Å²	122.4	62%	0.622	63%	0.627	S	S	*	*	H	α-helix	trans	-67.3	-24.7	177	73.8	0	0	0	0	113.8	A17 W18 A19	A17-S21 PolarHBondContact O-N 3.37Å; W18-S21 PolarHBondContact O-N 2.91Å; W18-S21 VanDerWaalsContact O-N 3.1Å; W18-S21 PolarHBondContact O-OG 3.39Å; A19-S21 PolarHBondContact O-N 3.08Å; A19-S21 VanDerWaalsContact O-N 3.16Å
22	Q	65.9	Low	75.5	Confident	139 Å²	139	124.6 Å²	124.6	65%	0.65	65%	0.645	S	S	*	*	H	α-helix	trans	-83.8	-23.1	177.8	-67.7	179.7	-90.2	0	0	112.9	W18 A19 K20 G24	W18-Q22 PolarHBondContact O-N 3.15Å; A19-Q22 WeakPolarHBondContact O-CB 3.29Å; A19-Q22 PolarHBondContact O-N 3.06Å; K20-Q22 VanDerWaalsContact C-N 3.25Å; K20-Q22 PolarHBondContact O-N 3.32Å; Q22-G24 PolarHBondContact O-N 3.26Å
23	W	56.1	Low	76.2	Confident	217 Å²	217	122.4 Å²	122.4	82%	0.822	63%	0.633	S	S	*	*	S	Bend	trans	-82.8	77.4	174.3	-63.2	54.5	0	0	0	106.5	A19 K20 E25	A19-W23 PolarHBondContact O-N 2.89Å; K20-W23 PolarHBondContact O-N 2.99Å; W23-E25 PolarHBondContact O-N 3.48Å
24	G	48.8	Very low	77	Confident	57 Å²	57	120.3 Å²	120.3	59%	0.588	63%	0.631	S	S	*	*			trans	-53.8	139.9	166	0	0	0	0	0	108.7	Q22 E26	Q22-G24 PolarHBondContact O-N 3.26Å; G24-E26 PolarHBondContact O-N 3.28Å
25	E	56.6	Low	77.7	Confident	197 Å²	197	119 Å²	119	92%	0.921	63%	0.627	S	S	*	*			trans	-67	84.3	176.9	-164.5	139.2	-163.4	0	0	108.6	W23 N27	W23-E25 PolarHBondContact O-N 3.48Å; E25-N27 PolarHBondContact O-N 3.28Å
26	E	62.1	Low	78.6	Confident	156 Å²	156	115.5 Å²	115.5	73%	0.729	63%	0.625	S	S	*	*			trans	-56.3	125.8	164.2	-81.4	-171	148.1	0	0	106.6	G24 L28	G24-E26 PolarHBondContact O-N 3.28Å; E26-L28 HydrophobicContact CB-CG 4.31Å; E26-L28 PolarHBondContact O-N 3.28Å
27	N	66.3	Low	79.5	Confident	140 Å²	140	117.5 Å²	117.5	75%	0.749	63%	0.63	S	S	*	*			trans	-71.2	73.9	-179.4	-168.3	-20.6	0	0	0	109.2	E25 Q29	E25-N27 PolarHBondContact O-N 3.28Å; N27-Q29 PolarHBondContact O-N 3.37Å
28	L	79.5	Confident	80.2	Confident	138 Å²	138	120.1 Å²	120.1	72%	0.723	64%	0.636	S	S	*	*			trans	-78.1	106.9	176.6	-71	174.8	0	0	0	108.1	E26	E26-L28 HydrophobicContact CB-CG 4.31Å; E26-L28 PolarHBondContact O-N 3.28Å
29	Q	87.6	Confident	81.1	Confident	125 Å²	125	113.4 Å²	113.4	58%	0.584	61%	0.612	S	S	*	*			trans	-91	112.6	172.6	-64.2	-173.7	-24.4	0	0	109.2	N27	N27-Q29 PolarHBondContact O-N 3.37Å
30	A	91.7	Very high	82	Confident	103 Å²	103	114.7 Å²	114.7	85%	0.851	62%	0.616	S	S	*	*			trans	-83.1	120.9	170	0	0	0	0	0	109.3
31	L	91.1	Very high	83	Confident	99 Å²	99	108.6 Å²	108.6	52%	0.518	59%	0.59	S	S	.	*			trans	-116.2	131.7	178	-62.1	173.3	0	0	0	109.4	I33 V39 M41	L31-I33 HydrophobicContact CB-CD1 4.13Å; L31-I33 HydrophobicContact CB-CG1 4.35Å; L31-V39 HydrophobicContact CD1-CG2 3.96Å; L31-M41 HydrophobicContact CD1-CG 4.15Å
32	S	94.3	Very high	84.2	Confident	125 Å²	125	109.8 Å²	109.8	87%	0.874	59%	0.59	S	S	*	*			trans	-121.5	121	171.5	-174.6	0	0	0	0	108
33	I	93.6	Very high	85.6	Confident	61 Å²	61	103.5 Å²	103.5	31%	0.313	56%	0.561	S	S	.	*			trans	-138.9	143.5	-164.9	-57.3	-179.6	0	0	0	107.5	L31 E37 V39	L31-I33 HydrophobicContact CB-CD1 4.13Å; L31-I33 HydrophobicContact CB-CG1 4.35Å; I33-E37 HydrophobicContact CG2-CB 3.64Å; I33-E37 HydrophobicContact CG2-CG 4.49Å; I33-E37 WeakPolarHBondContact CG2-OE2 3.43Å; I33-V39 HydrophobicContact CD1-CB 3.34Å; I33-V39 HydrophobicContact CD1-CG1 4.36Å; I33-V39 HydrophobicContact CD1-CG2 3.11Å
34	Q	96.3	Very high	87.4	Confident	138 Å²	138	98 Å²	98	65%	0.645	56%	0.556	S	S	*	*			trans	-78.6	145.7	178.1	-64	-65.9	-24.5	0	0	110.8	G36 E37 T99	Q34-G36 PolarHBondContact O-N 2.94Å; Q34-E37 HydrophobicContact CB-CG 4.02Å; Q34-E37 PolarHBondContact N-OE2 2.79Å; Q34-E37 WeakPolarHBondContact O-CB 3.35Å; Q34-E37 PolarHBondContact O-N 2.64Å; Q34-E37 VanDerWaalsContact O-N 3.08Å; Q34-T99 PolarHBondContact O-OG1 3.1Å
35	E	96.8	Very high	89.4	Confident	125 Å²	125	96.6 Å²	96.6	58%	0.584	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	135	175.6	-165.6	167.6	-150.7	0	0	110.5	E37 T99 L100 A101	E35-E37 VanDerWaalsContact C-N 3.35Å; E35-T99 VanDerWaalsContact CG-O 3.22Å; E35-T99 WeakPolarHBondContact CG-O 3.22Å; E35-L100 HydrophobicContact CG-CD2 4.49Å; E35-L100 WeakPolarHBondContact OE1-CA 3.4Å; E35-A101 PolarHBondContact OE1-N 3.16Å
36	G	97.7	Very high	91.1	Very high	51 Å²	51	97 Å²	97	53%	0.526	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-13.6	-175.2	0	0	0	0	0	114.9	Q34 T99	Q34-G36 PolarHBondContact O-N 2.94Å; G36-T99 PolarHBondContact N-O 3.34Å
37	E	98	Very high	92.5	Very high	101 Å²	101	94.4 Å²	94.4	47%	0.472	53%	0.527	S	S	.	.			trans	-76.4	156.4	172.2	-64.3	-176.2	142.4	0	0	111.4	I33 Q34 E35 T99	I33-E37 HydrophobicContact CG2-CB 3.64Å; I33-E37 HydrophobicContact CG2-CG 4.49Å; I33-E37 WeakPolarHBondContact CG2-OE2 3.43Å; Q34-E37 HydrophobicContact CB-CG 4.02Å; Q34-E37 PolarHBondContact N-OE2 2.79Å; Q34-E37 WeakPolarHBondContact O-CB 3.35Å; Q34-E37 PolarHBondContact O-N 2.64Å; Q34-E37 VanDerWaalsContact O-N 3.08Å; E35-E37 VanDerWaalsContact C-N 3.35Å; E37-T99 WeakPolarHBondContact O-CB 3.45Å; E37-T99 VanDerWaalsContact O-CG2 3.22Å; E37-T99 WeakPolarHBondContact O-CG2 3.47Å; E37-T99 PolarHBondContact O-N 3.36Å; E37-T99 PolarHBondContact O-OG1 3.04Å
38	D	97.8	Very high	93.8	Very high	114 Å²	114	95 Å²	95	61%	0.61	52%	0.519	S	S	*	.			trans	-89	139.4	173	-69.8	-4	0	0	0	110.1	I96 T97 G98	D38-I96 WeakPolarHBondContact CA-O 3.22Å; D38-T97 WeakPolarHBondContact OD1-CA 3.36Å; D38-G98 PolarHBondContact OD1-N 2.91Å
39	V	97.2	Very high	94.5	Very high	16 Å²	16	88.6 Å²	88.6	10%	0.097	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.2	174.4	61.6	0	0	0	0	110.5	L31 I33 M41 S95 I96 T99	L31-V39 HydrophobicContact CD1-CG2 3.96Å; I33-V39 HydrophobicContact CD1-CB 3.34Å; I33-V39 HydrophobicContact CD1-CG1 4.36Å; I33-V39 HydrophobicContact CD1-CG2 3.11Å; V39-M41 HydrophobicContact CG2-CG 4.46Å; V39-S95 CarbonylContact O-C 3.59Å; V39-S95 WeakPolarHBondContact O-CA 3.3Å; V39-I96 HydrophobicContact CG1-CB 3.75Å; V39-I96 HydrophobicContact CG1-CD1 4.24Å; V39-I96 HydrophobicContact CG1-CG1 3.95Å; V39-I96 PolarHBondContact N-O 2.82Å; V39-I96 PolarHBondContact O-N 2.9Å; V39-T99 HydrophobicContact CB-CG2 4.2Å; V39-T99 HydrophobicContact CG1-CG2 3.56Å
40	T	97.3	Very high	94.9	Very high	65 Å²	65	85.2 Å²	85.2	40%	0.399	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.8	166.8	-61.2	0	0	0	0	110.5	L94 S95	T40-L94 WeakPolarHBondContact CA-O 3.27Å; T40-S95 PolarHBondContact OG1-OG 2.86Å
41	M	96.6	Very high	95.1	Very high	25 Å²	25	81.4 Å²	81.4	12%	0.123	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.9	173.8	-62.8	159.9	-71.7	0	0	108.7	L31 V39 W54 S93 L94 I96 Y107	L31-M41 HydrophobicContact CD1-CG 4.15Å; V39-M41 HydrophobicContact CG2-CG 4.46Å; M41-W54 HydrophobicContact CB-CH2 4.3Å; M41-W54 HydrophobicContact CB-CZ3 4.25Å; M41-S93 CarbonylContact O-C 3.52Å; M41-S93 VanDerWaalsContact O-CA 3.24Å; M41-S93 WeakPolarHBondContact O-CA 3.44Å; M41-L94 HydrophobicContact CE-CB 4.14Å; M41-L94 HydrophobicContact CE-CD2 3.62Å; M41-L94 HydrophobicContact CE-CG 3.83Å; M41-L94 PolarHBondContact N-O 3.47Å; M41-L94 PolarHBondContact O-N 2.85Å; M41-I96 HydrophobicContact CE-CD1 4.07Å; M41-I96 HydrophobicContact CE-CG1 4.16Å; M41-Y107 HydrophobicContact CE-CD1 3.67Å; M41-Y107 HydrophobicContact CE-CD2 4.34Å; M41-Y107 HydrophobicContact CE-CE1 4.05Å; M41-Y107 HydrophobicContact CE-CG 3.82Å; M41-Y107 WeakPolarHBondContact SD-CB 3.27Å; M41-Y107 HydrophobicContact SD-CD1 3.92Å; M41-Y107 HydrophobicContact SD-CD2 3.7Å; M41-Y107 HydrophobicContact SD-CE2 4.46Å; M41-Y107 HydrophobicContact SD-CG 3.39Å
42	N	96	Very high	95.4	Very high	114 Å²	114	76.7 Å²	76.7	61%	0.61	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.4	-179.7	-62.8	-50.3	0	0	0	110.4	S93	N42-S93 WeakPolarHBondContact OD1-CB 3.46Å
43	C	95.2	Very high	95.6	Very high	7 Å²	7	73 Å²	73	5%	0.047	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.6	176.3	166.7	0	0	0	0	108.4	W54 S91 S92 C109	C43-W54 HydrophobicContact CB-CH2 3.59Å; C43-W54 HydrophobicContact CB-CZ2 3.66Å; C43-S91 CarbonylContact O-C 3.54Å; C43-S91 WeakPolarHBondContact O-CA 3.33Å; C43-S92 PolarHBondContact N-O 3.01Å; C43-S92 PolarHBondContact O-N 2.82Å; C43-C109 HydrophobicContact CB-CB 3.58Å; C43-C109 WeakPolarHBondContact CB-SG 3.3Å; C43-C109 WeakPolarHBondContact SG-CB 3.32Å; C43-C109 CovalentContact SG-SG 2Å; C43-C109 PolarHBondContact SG-SG 2.93Å
44	S	94.3	Very high	95.8	Very high	101 Å²	101	70.3 Å²	70.3	71%	0.706	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.8	172.1	-59	0	0	0	0	109.1	Q90	S44-Q90 WeakPolarHBondContact CA-O 3.37Å
45	Y	92.1	Very high	95.8	Very high	27 Å²	27	66.2 Å²	66.2	11%	0.106	35%	0.349	C	S	.	.			trans	-130.2	160	-177.6	48.2	-99.3	0	0	0	110.5	T47 T49 V52 L85 Q90 T111	Y45-T47 WeakPolarHBondContact CD2-O 3.23Å; Y45-T47 WeakPolarHBondContact CE2-O 3.3Å; Y45-T49 HydrophobicContact CD1-CG2 4.36Å; Y45-T49 HydrophobicContact CD2-CG2 3.93Å; Y45-T49 HydrophobicContact CE1-CG2 3.96Å; Y45-T49 HydrophobicContact CE2-CG2 3.45Å; Y45-T49 VanDerWaalsContact CE2-CG2 3.45Å; Y45-T49 HydrophobicContact CG-CG2 4.33Å; Y45-T49 VanDerWaalsContact CZ-CG2 3.46Å; Y45-V52 HydrophobicContact CD1-CG2 4.35Å; Y45-V52 HydrophobicContact CE1-CG2 3.78Å; Y45-L85 HydrophobicContact CE1-CD1 4.31Å; Y45-L85 WeakPolarHBondContact OH-CD1 3.17Å; Y45-Q90 WeakPolarHBondContact CD1-O 3.35Å; Y45-Q90 HydrophobicContact CD2-CB 3.68Å; Y45-Q90 HydrophobicContact CD2-CG 4.24Å; Y45-Q90 VanDerWaalsContact CE1-C 3.45Å; Y45-Q90 WeakPolarHBondContact CE1-O 3.36Å; Y45-Q90 HydrophobicContact CE2-CB 3.46Å; Y45-Q90 VanDerWaalsContact CE2-CB 3.46Å; Y45-Q90 HydrophobicContact CE2-CG 3.86Å; Y45-Q90 VanDerWaalsContact CZ-CA 3.47Å; Y45-Q90 PolarHBondContact N-O 2.91Å; Y45-Q90 VanDerWaalsContact N-O 3.07Å; Y45-Q90 WeakPolarHBondContact O-CB 3.47Å; Y45-T111 HydrophobicContact CD1-CG2 3.92Å; Y45-T111 HydrophobicContact CD2-CG2 4.33Å; Y45-T111 HydrophobicContact CG-CG2 3.75Å
46	K	91.4	Very high	95.9	Very high	205 Å²	205	63.2 Å²	63.2	89%	0.891	33%	0.333	S	S	*	.	S	Bend	trans	-96	-19	-174.1	-64.9	-177	179.9	177.5	0	114	Q90	K46-Q90 VanDerWaalsContact C-OE1 3.23Å; K46-Q90 PolarHBondContact O-OE1 2.65Å; K46-Q90 VanDerWaalsContact O-OE1 3.12Å
47	T	91.6	Very high	95.8	Very high	103 Å²	103	64.4 Å²	64.4	63%	0.632	32%	0.324	S	S	*	.	S	Bend	trans	-113.4	134.7	-174.2	-54	0	0	0	0	108.9	Y45 T49	Y45-T47 WeakPolarHBondContact CD2-O 3.23Å; Y45-T47 WeakPolarHBondContact CE2-O 3.3Å; T47-T49 PolarHBondContact O-N 2.85Å
48	Y	93.2	Very high	95.8	Very high	152 Å²	152	62.7 Å²	62.7	60%	0.596	32%	0.315	S	S	*	.			trans	-54.5	127.1	173.3	176.5	-93.4	0	0	0	110.6	T50	Y48-T50 HydrophobicContact CE1-CG2 3.69Å
49	T	94.8	Very high	95.6	Very high	3 Å²	3	63.4 Å²	63.4	2%	0.018	33%	0.329	C	S	.	.			trans	-134.6	152	173.9	177	0	0	0	0	110.2	Y45 T47 V51 V52 T87 T111 D112	Y45-T49 HydrophobicContact CD1-CG2 4.36Å; Y45-T49 HydrophobicContact CD2-CG2 3.93Å; Y45-T49 HydrophobicContact CE1-CG2 3.96Å; Y45-T49 HydrophobicContact CE2-CG2 3.45Å; Y45-T49 VanDerWaalsContact CE2-CG2 3.45Å; Y45-T49 HydrophobicContact CG-CG2 4.33Å; Y45-T49 VanDerWaalsContact CZ-CG2 3.46Å; T47-T49 PolarHBondContact O-N 2.85Å; T49-V51 PolarHBondContact OG1-N 3.27Å; T49-V51 PolarHBondContact OG1-O 2.81Å; T49-V52 HydrophobicContact CG2-CG2 3.99Å; T49-T87 WeakPolarHBondContact O-CG2 3.24Å; T49-T111 HydrophobicContact CG2-CG2 3.55Å; T49-D112 VanDerWaalsContact CB-OD1 3.27Å; T49-D112 WeakPolarHBondContact CB-OD1 3.14Å; T49-D112 PolarHBondContact OG1-OD1 2.71Å
50	T	95.7	Very high	95.6	Very high	54 Å²	54	66.7 Å²	66.7	33%	0.331	37%	0.367	S	S	.	.	S	Bend	trans	-101.7	-3.3	172.3	63.3	0	0	0	0	112.9	Y48 R70 S71	Y48-T50 HydrophobicContact CE1-CG2 3.69Å; T50-R70 CarbonylContact O-C 3.52Å; T50-R70 WeakPolarHBondContact O-CA 3.48Å; T50-S71 PolarHBondContact O-N 3.3Å
51	V	96.4	Very high	95.5	Very high	23 Å²	23	70.3 Å²	70.3	14%	0.139	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	128.3	-174.4	-174.6	0	0	0	0	110.2	T49 L68 I69 R70	T49-V51 PolarHBondContact OG1-N 3.27Å; T49-V51 PolarHBondContact OG1-O 2.81Å; V51-L68 HydrophobicContact CG1-CD1 4.08Å; V51-L68 HydrophobicContact CG1-CD2 3.88Å; V51-L68 HydrophobicContact CG1-CG 3.79Å; V51-I69 WeakPolarHBondContact CA-O 3.42Å; V51-R70 HydrophobicContact CG2-CG 4.18Å
52	V	97.3	Very high	95.5	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136	170.1	175.3	0	0	0	0	109.6	Y45 T49 I69 L85 C109	Y45-V52 HydrophobicContact CD1-CG2 4.35Å; Y45-V52 HydrophobicContact CE1-CG2 3.78Å; T49-V52 HydrophobicContact CG2-CG2 3.99Å; V52-I69 HydrophobicContact CB-CG2 4.06Å; V52-I69 PolarHBondContact N-O 2.9Å; V52-I69 WeakPolarHBondContact O-CG2 3.36Å; V52-I69 PolarHBondContact O-N 2.87Å; V52-L85 HydrophobicContact CB-CD1 4.36Å; V52-L85 HydrophobicContact CG2-CD1 3.62Å; V52-C109 HydrophobicContact CG1-CB 3.97Å
53	Q	97.6	Very high	95.5	Very high	47 Å²	47	69.8 Å²	69.8	22%	0.22	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.2	176	-57.5	-173.9	37.8	0	0	109.6	Y55 L68 C109 A110	Q53-Y55 HydrophobicContact CB-CD2 4.4Å; Q53-Y55 HydrophobicContact CB-CE2 3.67Å; Q53-Y55 PolarHBondContact OE1-OH 2.97Å; Q53-L68 HydrophobicContact CG-CB 4.43Å; Q53-L68 HydrophobicContact CG-CD1 4.04Å; Q53-L68 HydrophobicContact CG-CG 4.12Å; Q53-C109 CarbonylContact O-C 3.51Å; Q53-C109 VanDerWaalsContact O-CA 3.24Å; Q53-C109 WeakPolarHBondContact O-CA 3.27Å; Q53-A110 PolarHBondContact N-O 2.91Å; Q53-A110 PolarHBondContact O-N 3.03Å
54	W	98.1	Very high	95.6	Very high	5 Å²	5	71.8 Å²	71.8	2%	0.019	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.1	173.9	-76.5	93.2	0	0	0	110.7	M41 C43 L66 I67 S92 L94 C109	M41-W54 HydrophobicContact CB-CH2 4.3Å; M41-W54 HydrophobicContact CB-CZ3 4.25Å; C43-W54 HydrophobicContact CB-CH2 3.59Å; C43-W54 HydrophobicContact CB-CZ2 3.66Å; W54-L66 PolarHBondContact O-N 2.79Å; W54-I67 HydrophobicContact CB-CG2 3.68Å; W54-I67 HydrophobicContact CG-CG2 4.06Å; W54-I67 PolarHBondContact N-O 2.96Å; W54-I67 PolarHBondContact O-N 2.76Å; W54-S92 PolarHBondContact NE1-OG 3.09Å; W54-L94 HydrophobicContact CB-CD2 4.1Å; W54-L94 HydrophobicContact CD2-CB 3.51Å; W54-L94 HydrophobicContact CD2-CD2 3.91Å; W54-L94 HydrophobicContact CD2-CG 4.24Å; W54-L94 HydrophobicContact CE3-CB 3.68Å; W54-L94 HydrophobicContact CE3-CD2 3.7Å; W54-L94 HydrophobicContact CE3-CG 4.32Å; W54-L94 HydrophobicContact CG-CB 4.09Å; W54-L94 HydrophobicContact CG-CD1 4.48Å; W54-L94 HydrophobicContact CG-CD2 4.1Å; W54-L94 HydrophobicContact CG-CG 4.46Å; W54-L94 HydrophobicContact CH2-CB 3.92Å; W54-L94 HydrophobicContact CZ2-CB 3.79Å; W54-L94 HydrophobicContact CZ3-CB 3.87Å; W54-L94 HydrophobicContact CZ3-CD2 4.4Å; W54-C109 HydrophobicContact CD2-CB 4.28Å; W54-C109 HydrophobicContact CE3-CB 4.26Å; W54-C109 HydrophobicContact CH2-CB 4.4Å; W54-C109 HydrophobicContact CZ2-CB 4.39Å; W54-C109 HydrophobicContact CZ3-CB 4.33Å
55	Y	97.6	Very high	95.8	Very high	52 Å²	52	72 Å²	72	20%	0.204	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.3	179.6	-70.2	-93.8	0	0	0	111.4	Q53 P63 A64 Q65 Y107 F108 A110	Q53-Y55 HydrophobicContact CB-CD2 4.4Å; Q53-Y55 HydrophobicContact CB-CE2 3.67Å; Q53-Y55 PolarHBondContact OE1-OH 2.97Å; Y55-P63 HydrophobicContact CD1-CB 4.03Å; Y55-A64 WeakPolarHBondContact CA-O 3.24Å; Y55-Q65 HydrophobicContact CD1-CB 4.17Å; Y55-Q65 HydrophobicContact CE1-CB 3.82Å; Y55-Q65 HydrophobicContact CE1-CG 4.36Å; Y55-Y107 WeakPolarHBondContact O-CA 3.13Å; Y55-F108 VanDerWaalsContact CB-CE2 3.45Å; Y55-F108 HydrophobicContact CD1-CE2 4.46Å; Y55-F108 HydrophobicContact CD2-CD2 4.1Å; Y55-F108 AromaticContact CD2-CE2 3.75Å; Y55-F108 HydrophobicContact CD2-CE2 3.75Å; Y55-F108 HydrophobicContact CG-CD2 4.24Å; Y55-F108 AromaticContact CG-CE2 3.64Å; Y55-F108 HydrophobicContact CG-CE2 3.64Å; Y55-F108 HydrophobicContact CG-CZ 4.03Å; Y55-F108 PolarHBondContact N-O 2.53Å; Y55-F108 PolarHBondContact O-N 2.84Å; Y55-A110 HydrophobicContact CE2-CB 4.1Å
56	R	97	Very high	96	Very high	63 Å²	63	72.3 Å²	72.3	24%	0.238	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.4	168.3	-179.4	-179.9	63.5	-175.8	-7.3	109.9	A64 L66 D103 A105 V106 Y107	R56-A64 PolarHBondContact N-O 2.99Å; R56-A64 PolarHBondContact O-N 3.4Å; R56-L66 HydrophobicContact CB-CD1 3.7Å; R56-L66 HydrophobicContact CB-CD2 3.88Å; R56-L66 HydrophobicContact CB-CG 3.76Å; R56-D103 IonicContact NH1-OD1 3.75Å; R56-A105 HydrophobicContact CG-CB 3.4Å; R56-V106 WeakPolarHBondContact CA-O 3.42Å; R56-Y107 HydrophobicContact CB-CD1 4.21Å; R56-Y107 HydrophobicContact CB-CE1 4.05Å; R56-Y107 WeakPolarHBondContact CD-OH 3.36Å; R56-Y107 HydrophobicContact CG-CD1 4.4Å; R56-Y107 HydrophobicContact CG-CE1 3.96Å; R56-Y107 HydrophobicContact CG-CE2 4.35Å
57	Q	97.3	Very high	96.3	Very high	76 Å²	76	62.8 Å²	62.8	36%	0.355	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	108.2	173.5	-171.2	177.2	2	0	0	110	K61 A105 V106 F108	Q57-K61 VanDerWaalsContact CG-O 3.23Å; Q57-K61 WeakPolarHBondContact CG-O 3.13Å; Q57-K61 PolarHBondContact NE2-O 3.3Å; Q57-A105 VanDerWaalsContact O-CB 3.3Å; Q57-A105 WeakPolarHBondContact O-CB 3.35Å; Q57-V106 HydrophobicContact CB-CB 4.43Å; Q57-V106 PolarHBondContact N-O 2.95Å; Q57-V106 PolarHBondContact O-N 3.12Å; Q57-F108 HydrophobicContact CB-CE1 4.22Å
58	K	96.6	Very high	96.6	Very high	65 Å²	65	59.4 Å²	59.4	28%	0.283	34%	0.338	S	S	.	.			trans	-77.8	154.3	171.7	-67.3	-169.7	171.7	-162.9	0	110	G60 K61 T102 A105	K58-G60 PolarHBondContact O-N 3.23Å; K58-K61 HydrophobicContact CB-CB 4.41Å; K58-K61 HydrophobicContact CB-CD 4.36Å; K58-K61 HydrophobicContact CB-CG 4.48Å; K58-K61 PolarHBondContact O-N 2.82Å; K58-T102 WeakPolarHBondContact CE-O 3.04Å; K58-T102 PolarHBondContact NZ-O 2.89Å; K58-A105 HydrophobicContact CG-CB 4.26Å
59	S	94.8	Very high	96.8	Very high	128 Å²	128	52.2 Å²	52.2	90%	0.895	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	129.9	176.3	-171.3	0	0	0	0	111.5	K61	S59-K61 PolarHBondContact O-N 2.84Å
60	G	96	Very high	97	Very high	86 Å²	86	57.7 Å²	57.7	89%	0.887	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	6.9	-178.9	0	0	0	0	0	115.9	K58	K58-G60 PolarHBondContact O-N 3.23Å
61	K	96.3	Very high	96.9	Very high	140 Å²	140	57.5 Å²	57.5	61%	0.609	33%	0.332	S	S	*	.	S	Bend	trans	-117.4	157.2	178.6	-60.6	-166.5	178.8	-170	0	111.5	Q57 K58 S59	Q57-K61 VanDerWaalsContact CG-O 3.23Å; Q57-K61 WeakPolarHBondContact CG-O 3.13Å; Q57-K61 PolarHBondContact NE2-O 3.3Å; K58-K61 HydrophobicContact CB-CB 4.41Å; K58-K61 HydrophobicContact CB-CD 4.36Å; K58-K61 HydrophobicContact CB-CG 4.48Å; K58-K61 PolarHBondContact O-N 2.82Å; S59-K61 PolarHBondContact O-N 2.84Å
62	G	95.9	Very high	96.9	Very high	55 Å²	55	62.8 Å²	62.8	57%	0.567	36%	0.359	S	S	*	.			trans	-71.4	164.1	169.1	0	0	0	0	0	112.1
63	P	96.7	Very high	96.8	Very high	74 Å²	74	66 Å²	66	48%	0.481	37%	0.374	S	S	.	.			trans	-58.8	137.6	173.2	-26	36.4	0	0	0	113.1	Y55 F108	Y55-P63 HydrophobicContact CD1-CB 4.03Å; P63-F108 HydrophobicContact CB-CE1 4.17Å; P63-F108 HydrophobicContact CB-CZ 3.56Å; P63-F108 HydrophobicContact CG-CE1 4.17Å; P63-F108 HydrophobicContact CG-CZ 3.65Å
64	A	97.5	Very high	96.5	Very high	49 Å²	49	73.5 Å²	73.5	41%	0.405	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.7	171.8	0	0	0	0	0	110.1	Y55 R56 L66	Y55-A64 WeakPolarHBondContact CA-O 3.24Å; R56-A64 PolarHBondContact N-O 2.99Å; R56-A64 PolarHBondContact O-N 3.4Å; A64-L66 PolarHBondContact O-N 2.86Å
65	Q	97.6	Very high	96.5	Very high	106 Å²	106	76.7 Å²	76.7	50%	0.495	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.3	176.4	-168.6	-165.7	-69	0	0	109.6	Y55	Y55-Q65 HydrophobicContact CD1-CB 4.17Å; Y55-Q65 HydrophobicContact CE1-CB 3.82Å; Y55-Q65 HydrophobicContact CE1-CG 4.36Å
66	L	97.2	Very high	96.5	Very high	32 Å²	32	77 Å²	77	17%	0.168	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-52.3	176	-69.6	-174.7	0	0	0	111.9	W54 R56 A64 L81 L94 Y107	W54-L66 PolarHBondContact O-N 2.79Å; R56-L66 HydrophobicContact CB-CD1 3.7Å; R56-L66 HydrophobicContact CB-CD2 3.88Å; R56-L66 HydrophobicContact CB-CG 3.76Å; A64-L66 PolarHBondContact O-N 2.86Å; L66-L81 HydrophobicContact CB-CD1 3.96Å; L66-L81 HydrophobicContact CD1-CD1 4.11Å; L66-L81 HydrophobicContact CD2-CD1 4.19Å; L66-L81 HydrophobicContact CG-CD1 4.33Å; L66-L94 HydrophobicContact CD1-CD2 3.94Å; L66-Y107 HydrophobicContact CD1-CD1 3.86Å; L66-Y107 HydrophobicContact CD1-CE1 3.59Å
67	I	97.8	Very high	96.5	Very high	6 Å²	6	82 Å²	82	3%	0.031	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	133.8	-172.8	-170.7	161.8	0	0	0	110.1	W54 K76 A83 L94	W54-I67 HydrophobicContact CB-CG2 3.68Å; W54-I67 HydrophobicContact CG-CG2 4.06Å; W54-I67 PolarHBondContact N-O 2.96Å; W54-I67 PolarHBondContact O-N 2.76Å; I67-K76 HydrophobicContact CD1-CB 3.86Å; I67-K76 HydrophobicContact CD1-CD 4Å; I67-K76 HydrophobicContact CD1-CG 3.83Å; I67-K76 VanDerWaalsContact CD1-O 3.31Å; I67-K76 WeakPolarHBondContact CD1-O 3.41Å; I67-K76 HydrophobicContact CG1-CB 4.42Å; I67-K76 HydrophobicContact CG1-CD 3.8Å; I67-K76 HydrophobicContact CG1-CG 4.22Å; I67-A83 HydrophobicContact CD1-CB 3.81Å; I67-A83 HydrophobicContact CG1-CB 4.18Å; I67-A83 HydrophobicContact CG2-CB 3.75Å; I67-L94 HydrophobicContact CG2-CD1 3.93Å
68	L	97.4	Very high	96.5	Very high	32 Å²	32	81.7 Å²	81.7	17%	0.168	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122	169.5	179.2	157.7	0	0	0	107.1	V51 Q53 R70 K76	V51-L68 HydrophobicContact CG1-CD1 4.08Å; V51-L68 HydrophobicContact CG1-CD2 3.88Å; V51-L68 HydrophobicContact CG1-CG 3.79Å; Q53-L68 HydrophobicContact CG-CB 4.43Å; Q53-L68 HydrophobicContact CG-CD1 4.04Å; Q53-L68 HydrophobicContact CG-CG 4.12Å; L68-R70 HydrophobicContact CD2-CG 3.78Å; L68-K76 WeakPolarHBondContact O-CD 3.35Å; L68-K76 WeakPolarHBondContact O-CE 3.46Å; L68-K76 PolarHBondContact O-NZ 2.9Å
69	I	97.9	Very high	96.5	Very high	0 Å²	0	82.4 Å²	82.4	0%	0	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.4	177.9	-174.3	162.2	0	0	0	110.4	V51 V52 E73 K76 A83 L85	V51-I69 WeakPolarHBondContact CA-O 3.42Å; V52-I69 HydrophobicContact CB-CG2 4.06Å; V52-I69 PolarHBondContact N-O 2.9Å; V52-I69 WeakPolarHBondContact O-CG2 3.36Å; V52-I69 PolarHBondContact O-N 2.87Å; I69-E73 WeakPolarHBondContact CA-OE2 3.33Å; I69-E73 HydrophobicContact CG1-CB 4.3Å; I69-K76 HydrophobicContact CD1-CB 4.07Å; I69-K76 HydrophobicContact CG1-CB 4.26Å; I69-A83 HydrophobicContact CB-CB 4.27Å; I69-A83 HydrophobicContact CD1-CB 4.08Å; I69-A83 VanDerWaalsContact CD1-O 3.3Å; I69-A83 WeakPolarHBondContact CD1-O 3.21Å; I69-A83 HydrophobicContact CG2-CB 4.24Å; I69-L85 HydrophobicContact CD1-CB 3.93Å; I69-L85 HydrophobicContact CG1-CB 3.94Å; I69-L85 HydrophobicContact CG2-CB 4.02Å; I69-L85 HydrophobicContact CG2-CD2 4.4Å
70	R	97.4	Very high	96.6	Very high	118 Å²	118	80.2 Å²	80.2	45%	0.445	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	154	176	-61.4	-168	175.8	80.3	0.5	111.1	T50 V51 L68 N72 E73	T50-R70 CarbonylContact O-C 3.52Å; T50-R70 WeakPolarHBondContact O-CA 3.48Å; V51-R70 HydrophobicContact CG2-CG 4.18Å; L68-R70 HydrophobicContact CD2-CG 3.78Å; R70-N72 WeakPolarHBondContact CB-OD1 3.37Å; R70-N72 PolarHBondContact O-N 2.91Å; R70-N72 VanDerWaalsContact O-N 3.12Å; R70-E73 HydrophobicContact CB-CG 4.45Å; R70-E73 PolarHBondContact N-OE2 2.78Å; R70-E73 WeakPolarHBondContact O-CB 3.48Å; R70-E73 PolarHBondContact O-N 2.72Å
71	S	95.2	Very high	96.7	Very high	51 Å²	51	77.4 Å²	77.4	36%	0.357	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.4	-177.8	57.3	0	0	0	0	113.8	T50 E73	T50-S71 PolarHBondContact O-N 3.3Å; S71-E73 VanDerWaalsContact C-N 3.34Å
72	N	95.8	Very high	96.8	Very high	134 Å²	134	75 Å²	75	72%	0.717	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-13	176.2	68.5	-34.3	0	0	0	114.3	R70	R70-N72 WeakPolarHBondContact CB-OD1 3.37Å; R70-N72 PolarHBondContact O-N 2.91Å; R70-N72 VanDerWaalsContact O-N 3.12Å
73	E	95.5	Very high	96.9	Very high	67 Å²	67	72.4 Å²	72.4	31%	0.313	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-27.6	180	-66	173	127.2	0	0	111.8	I69 R70 S71 E75 K76	I69-E73 WeakPolarHBondContact CA-OE2 3.33Å; I69-E73 HydrophobicContact CG1-CB 4.3Å; R70-E73 HydrophobicContact CB-CG 4.45Å; R70-E73 PolarHBondContact N-OE2 2.78Å; R70-E73 WeakPolarHBondContact O-CB 3.48Å; R70-E73 PolarHBondContact O-N 2.72Å; S71-E73 VanDerWaalsContact C-N 3.34Å; E73-E75 PolarHBondContact O-N 3.26Å; E73-E75 VanDerWaalsContact O-O 3.13Å; E73-K76 WeakPolarHBondContact OE1-CE 3.18Å; E73-K76 IonicContact OE1-NZ 2.95Å; E73-K76 PolarHBondContact OE1-NZ 2.91Å; E73-K76 IonicContact OE2-NZ 2.8Å; E73-K76 PolarHBondContact OE2-NZ 2.83Å
74	R	91.2	Very high	97	Very high	205 Å²	205	70.9 Å²	70.9	77%	0.774	36%	0.355	S	S	*	.	S	Bend	trans	55.4	-46.8	-169.8	-177.6	-179.9	-92.5	-177.9	-5.5	114.5	T84 L85	R74-T84 WeakPolarHBondContact O-CA 3.45Å; R74-L85 PolarHBondContact O-N 2.94Å
75	E	97.4	Very high	97	Very high	71 Å²	71	69 Å²	69	33%	0.332	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.7	174.3	-179.9	-179.3	107.5	0	0	110	E73 R77 R82 A83 T84	E73-E75 PolarHBondContact O-N 3.26Å; E73-E75 VanDerWaalsContact O-O 3.13Å; E75-R77 IonicContact OE1-CZ 3.23Å; E75-R77 IonicContact OE1-NE 3.88Å; E75-R77 IonicContact OE1-NH1 2.72Å; E75-R77 PolarHBondContact OE1-NH1 3.07Å; E75-R77 IonicContact OE1-NH2 3.97Å; E75-R77 PolarHBondContact OE1-NH2 2.75Å; E75-R77 IonicContact OE2-NH2 3.4Å; E75-R82 HydrophobicContact CG-CG 3.74Å; E75-R82 WeakPolarHBondContact OE2-CD 3.43Å; E75-A83 CarbonylContact C-O 3.55Å; E75-A83 VanDerWaalsContact CA-O 3.27Å; E75-A83 WeakPolarHBondContact CA-O 3.47Å; E75-T84 HydrophobicContact CB-CG2 4.45Å; E75-T84 HydrophobicContact CG-CG2 4.34Å
76	K	98.1	Very high	96.9	Very high	60 Å²	60	67 Å²	67	26%	0.261	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.8	174.5	-167.5	179.5	-169.1	144	0	110.8	I67 L68 I69 E73 R82 A83	I67-K76 HydrophobicContact CD1-CB 3.86Å; I67-K76 HydrophobicContact CD1-CD 4Å; I67-K76 HydrophobicContact CD1-CG 3.83Å; I67-K76 VanDerWaalsContact CD1-O 3.31Å; I67-K76 WeakPolarHBondContact CD1-O 3.41Å; I67-K76 HydrophobicContact CG1-CB 4.42Å; I67-K76 HydrophobicContact CG1-CD 3.8Å; I67-K76 HydrophobicContact CG1-CG 4.22Å; L68-K76 WeakPolarHBondContact O-CD 3.35Å; L68-K76 WeakPolarHBondContact O-CE 3.46Å; L68-K76 PolarHBondContact O-NZ 2.9Å; I69-K76 HydrophobicContact CD1-CB 4.07Å; I69-K76 HydrophobicContact CG1-CB 4.26Å; E73-K76 WeakPolarHBondContact OE1-CE 3.18Å; E73-K76 IonicContact OE1-NZ 2.95Å; E73-K76 PolarHBondContact OE1-NZ 2.91Å; E73-K76 IonicContact OE2-NZ 2.8Å; E73-K76 PolarHBondContact OE2-NZ 2.83Å; K76-R82 CarbonylContact O-C 3.47Å; K76-R82 WeakPolarHBondContact O-CA 3.29Å; K76-A83 PolarHBondContact N-O 2.87Å; K76-A83 PolarHBondContact O-N 2.9Å
77	R	97.6	Very high	96.8	Very high	168 Å²	168	67.4 Å²	67.4	63%	0.634	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.8	176.8	-69.9	-168.6	175.7	89.5	13.8	111.9	E75 L81 R82	E75-R77 IonicContact OE1-CZ 3.23Å; E75-R77 IonicContact OE1-NE 3.88Å; E75-R77 IonicContact OE1-NH1 2.72Å; E75-R77 PolarHBondContact OE1-NH1 3.07Å; E75-R77 IonicContact OE1-NH2 3.97Å; E75-R77 PolarHBondContact OE1-NH2 2.75Å; E75-R77 IonicContact OE2-NH2 3.4Å; R77-L81 CarbonylContact C-O 3.59Å; R77-L81 VanDerWaalsContact CA-O 3.29Å; R77-L81 WeakPolarHBondContact CA-O 3.38Å; R77-R82 HydrophobicContact CG-CB 4.25Å; R77-R82 HydrophobicContact CG-CG 4.17Å
78	S	96.2	Very high	96.6	Very high	68 Å²	68	72.1 Å²	72.1	48%	0.476	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	102.8	169	-173.4	0	0	0	0	109.8	R80 L81	S78-R80 PolarHBondContact O-N 2.69Å; S78-L81 PolarHBondContact N-O 2.89Å; S78-L81 VanDerWaalsContact O-CB 3.28Å; S78-L81 WeakPolarHBondContact O-CB 3.37Å; S78-L81 PolarHBondContact O-N 3.16Å
79	G	96.7	Very high	96.5	Very high	81 Å²	81	73.4 Å²	73.4	84%	0.835	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	-122.4	-172.7	0	0	0	0	0	111.7	L81	G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 2.78Å
80	R	97.4	Very high	96.4	Very high	82 Å²	82	76.7 Å²	76.7	31%	0.309	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.3	176.3	-63.5	-175.7	-59.8	110.6	3.6	113.8	S78 I96 T97 G98 D103	S78-R80 PolarHBondContact O-N 2.69Å; R80-I96 HydrophobicContact CB-CG2 4.39Å; R80-I96 WeakPolarHBondContact O-CA 3.34Å; R80-T97 WeakPolarHBondContact CB-O 3.43Å; R80-T97 WeakPolarHBondContact CD-O 3.48Å; R80-T97 PolarHBondContact NH1-O 3.05Å; R80-T97 PolarHBondContact O-N 3.02Å; R80-T97 PolarHBondContact O-OG1 2.63Å; R80-G98 PolarHBondContact NH1-O 2.84Å; R80-D103 IonicContact CZ-OD1 2.93Å; R80-D103 IonicContact CZ-OD2 2.82Å; R80-D103 VanDerWaalsContact CZ-OD2 3.23Å; R80-D103 IonicContact NH1-OD2 3.84Å; R80-D103 PolarHBondContact NH1-OD2 3.48Å; R80-D103 VanDerWaalsContact NH2-CG 3.27Å; R80-D103 IonicContact NH2-OD1 2.99Å; R80-D103 PolarHBondContact NH2-OD1 2.82Å; R80-D103 IonicContact NH2-OD2 2.78Å; R80-D103 PolarHBondContact NH2-OD2 2.8Å
81	L	98.1	Very high	96.4	Very high	26 Å²	26	72.7 Å²	72.7	14%	0.136	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	140.2	-177.5	-53.9	178.6	0	0	0	111.3	L66 R77 S78 G79 L94 S95 I96	L66-L81 HydrophobicContact CB-CD1 3.96Å; L66-L81 HydrophobicContact CD1-CD1 4.11Å; L66-L81 HydrophobicContact CD2-CD1 4.19Å; L66-L81 HydrophobicContact CG-CD1 4.33Å; R77-L81 CarbonylContact C-O 3.59Å; R77-L81 VanDerWaalsContact CA-O 3.29Å; R77-L81 WeakPolarHBondContact CA-O 3.38Å; S78-L81 PolarHBondContact N-O 2.89Å; S78-L81 VanDerWaalsContact O-CB 3.28Å; S78-L81 WeakPolarHBondContact O-CB 3.37Å; S78-L81 PolarHBondContact O-N 3.16Å; G79-L81 VanDerWaalsContact C-N 3.25Å; G79-L81 PolarHBondContact O-N 2.78Å; L81-L94 HydrophobicContact CB-CD1 4.28Å; L81-L94 HydrophobicContact CD2-CD1 4.48Å; L81-S95 CarbonylContact C-O 3.5Å; L81-S95 WeakPolarHBondContact CA-O 3.31Å; L81-I96 HydrophobicContact CD2-CB 4.27Å; L81-I96 HydrophobicContact CD2-CD1 4.09Å; L81-I96 HydrophobicContact CD2-CG1 3.66Å; L81-I96 HydrophobicContact CD2-CG2 4.12Å
82	R	98.4	Very high	96.5	Very high	91 Å²	91	70.3 Å²	70.3	34%	0.343	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.4	169.4	179.4	-173.6	71	176.8	-7	109.5	E75 K76 R77 L94 S95	E75-R82 HydrophobicContact CG-CG 3.74Å; E75-R82 WeakPolarHBondContact OE2-CD 3.43Å; K76-R82 CarbonylContact O-C 3.47Å; K76-R82 WeakPolarHBondContact O-CA 3.29Å; R77-R82 HydrophobicContact CG-CB 4.25Å; R77-R82 HydrophobicContact CG-CG 4.17Å; R82-L94 CarbonylContact O-C 3.53Å; R82-L94 WeakPolarHBondContact O-CA 3.36Å; R82-S95 PolarHBondContact N-O 2.59Å; R82-S95 PolarHBondContact NH2-OG 3.35Å; R82-S95 PolarHBondContact O-N 2.95Å
83	A	98.5	Very high	96.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146	170.3	0	0	0	0	0	111	I67 I69 E75 K76 S93	I67-A83 HydrophobicContact CD1-CB 3.81Å; I67-A83 HydrophobicContact CG1-CB 4.18Å; I67-A83 HydrophobicContact CG2-CB 3.75Å; I69-A83 HydrophobicContact CB-CB 4.27Å; I69-A83 HydrophobicContact CD1-CB 4.08Å; I69-A83 VanDerWaalsContact CD1-O 3.3Å; I69-A83 WeakPolarHBondContact CD1-O 3.21Å; I69-A83 HydrophobicContact CG2-CB 4.24Å; E75-A83 CarbonylContact C-O 3.55Å; E75-A83 VanDerWaalsContact CA-O 3.27Å; E75-A83 WeakPolarHBondContact CA-O 3.47Å; K76-A83 PolarHBondContact N-O 2.87Å; K76-A83 PolarHBondContact O-N 2.9Å; A83-S93 CarbonylContact C-O 3.5Å; A83-S93 WeakPolarHBondContact CA-O 3.21Å
84	T	98.3	Very high	96.7	Very high	41 Å²	41	61.5 Å²	61.5	25%	0.252	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.9	167	68.5	0	0	0	0	110.2	R74 E75 S92 S93	R74-T84 WeakPolarHBondContact O-CA 3.45Å; E75-T84 HydrophobicContact CB-CG2 4.45Å; E75-T84 HydrophobicContact CG-CG2 4.34Å; T84-S92 WeakPolarHBondContact O-CA 3.44Å; T84-S92 WeakPolarHBondContact O-CB 3.01Å; T84-S92 PolarHBondContact O-OG 3.45Å; T84-S93 PolarHBondContact N-O 3.46Å; T84-S93 PolarHBondContact O-N 3.34Å; T84-S93 VanDerWaalsContact O-N 3.16Å; T84-S93 PolarHBondContact OG1-N 3.33Å; T84-S93 PolarHBondContact OG1-OG 2.87Å
85	L	97.7	Very high	97	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.052	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.8	175.3	177.5	56.9	0	0	0	109.4	Y45 V52 I69 R74 T87	Y45-L85 HydrophobicContact CE1-CD1 4.31Å; Y45-L85 WeakPolarHBondContact OH-CD1 3.17Å; V52-L85 HydrophobicContact CB-CD1 4.36Å; V52-L85 HydrophobicContact CG2-CD1 3.62Å; I69-L85 HydrophobicContact CD1-CB 3.93Å; I69-L85 HydrophobicContact CG1-CB 3.94Å; I69-L85 HydrophobicContact CG2-CB 4.02Å; I69-L85 HydrophobicContact CG2-CD2 4.4Å; R74-L85 PolarHBondContact O-N 2.94Å; L85-T87 HydrophobicContact CD1-CG2 4.43Å; L85-T87 HydrophobicContact CD2-CG2 4.38Å; L85-T87 HydrophobicContact CG-CG2 4.15Å
86	D	96	Very high	97.1	Very high	63 Å²	63	48.6 Å²	48.6	34%	0.337	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	98.5	172.5	179.6	3.9	0	0	0	109.2	S88 S89 Q90 S91	D86-S88 PolarHBondContact O-N 3.24Å; D86-S88 WeakPolarHBondContact OD1-CB 2.96Å; D86-S88 PolarHBondContact OD1-N 2.85Å; D86-S88 PolarHBondContact OD1-OG 2.93Å; D86-S89 WeakPolarHBondContact CB-OG 3.34Å; D86-S89 PolarHBondContact O-N 2.84Å; D86-S89 PolarHBondContact O-OG 2.87Å; D86-S89 PolarHBondContact OD1-N 3.49Å; D86-S89 WeakPolarHBondContact OD2-CB 3.28Å; D86-S89 PolarHBondContact OD2-OG 2Å; D86-Q90 PolarHBondContact O-N 3.4Å; D86-Q90 VanDerWaalsContact O-N 3.09Å; D86-S91 PolarHBondContact N-O 2.78Å; D86-S91 PolarHBondContact O-N 3.07Å
87	T	94.7	Very high	97.1	Very high	41 Å²	41	48.9 Å²	48.9	25%	0.252	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.5	179.7	55.8	0	0	0	0	112.8	T49 L85	T49-T87 WeakPolarHBondContact O-CG2 3.24Å; L85-T87 HydrophobicContact CD1-CG2 4.43Å; L85-T87 HydrophobicContact CD2-CG2 4.38Å; L85-T87 HydrophobicContact CG-CG2 4.15Å
88	S	94	Very high	97.1	Very high	105 Å²	105	42.1 Å²	42.1	73%	0.734	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-38.3	178.8	75	0	0	0	0	111.9	D86	D86-S88 PolarHBondContact O-N 3.24Å; D86-S88 WeakPolarHBondContact OD1-CB 2.96Å; D86-S88 PolarHBondContact OD1-N 2.85Å; D86-S88 PolarHBondContact OD1-OG 2.93Å
89	S	95.2	Very high	97.2	Very high	60 Å²	60	39.5 Å²	39.5	42%	0.42	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2	175.1	62.6	0	0	0	0	113.8	D86 S91	D86-S89 WeakPolarHBondContact CB-OG 3.34Å; D86-S89 PolarHBondContact O-N 2.84Å; D86-S89 PolarHBondContact O-OG 2.87Å; D86-S89 PolarHBondContact OD1-N 3.49Å; D86-S89 WeakPolarHBondContact OD2-CB 3.28Å; D86-S89 PolarHBondContact OD2-OG 2Å; S89-S91 PolarHBondContact O-N 2.77Å; S89-S91 PolarHBondContact OG-OG 2.99Å
90	Q	95.5	Very high	97.2	Very high	69 Å²	69	39.3 Å²	39.3	32%	0.322	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	46	-175.4	-65.1	177.1	87.1	0	0	112.1	S44 Y45 K46 D86	S44-Q90 WeakPolarHBondContact CA-O 3.37Å; Y45-Q90 WeakPolarHBondContact CD1-O 3.35Å; Y45-Q90 HydrophobicContact CD2-CB 3.68Å; Y45-Q90 HydrophobicContact CD2-CG 4.24Å; Y45-Q90 VanDerWaalsContact CE1-C 3.45Å; Y45-Q90 WeakPolarHBondContact CE1-O 3.36Å; Y45-Q90 HydrophobicContact CE2-CB 3.46Å; Y45-Q90 VanDerWaalsContact CE2-CB 3.46Å; Y45-Q90 HydrophobicContact CE2-CG 3.86Å; Y45-Q90 VanDerWaalsContact CZ-CA 3.47Å; Y45-Q90 PolarHBondContact N-O 2.91Å; Y45-Q90 VanDerWaalsContact N-O 3.07Å; Y45-Q90 WeakPolarHBondContact O-CB 3.47Å; K46-Q90 VanDerWaalsContact C-OE1 3.23Å; K46-Q90 PolarHBondContact O-OE1 2.65Å; K46-Q90 VanDerWaalsContact O-OE1 3.12Å; D86-Q90 PolarHBondContact O-N 3.4Å; D86-Q90 VanDerWaalsContact O-N 3.09Å
91	S	96.6	Very high	97.1	Very high	34 Å²	34	38.6 Å²	38.6	24%	0.238	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.1	-174.3	76.7	0	0	0	0	113.1	C43 D86 S89	C43-S91 CarbonylContact O-C 3.54Å; C43-S91 WeakPolarHBondContact O-CA 3.33Å; D86-S91 PolarHBondContact N-O 2.78Å; D86-S91 PolarHBondContact O-N 3.07Å; S89-S91 PolarHBondContact O-N 2.77Å; S89-S91 PolarHBondContact OG-OG 2.99Å
92	S	97.6	Very high	97	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.1	170.9	-177.4	0	0	0	0	108.9	C43 W54 T84	C43-S92 PolarHBondContact N-O 3.01Å; C43-S92 PolarHBondContact O-N 2.82Å; W54-S92 PolarHBondContact NE1-OG 3.09Å; T84-S92 WeakPolarHBondContact O-CA 3.44Å; T84-S92 WeakPolarHBondContact O-CB 3.01Å; T84-S92 PolarHBondContact O-OG 3.45Å
93	S	97.9	Very high	96.9	Very high	15 Å²	15	37.7 Å²	37.7	11%	0.105	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.2	170.7	77.2	0	0	0	0	111	M41 N42 A83 T84	M41-S93 CarbonylContact O-C 3.52Å; M41-S93 VanDerWaalsContact O-CA 3.24Å; M41-S93 WeakPolarHBondContact O-CA 3.44Å; N42-S93 WeakPolarHBondContact OD1-CB 3.46Å; A83-S93 CarbonylContact C-O 3.5Å; A83-S93 WeakPolarHBondContact CA-O 3.21Å; T84-S93 PolarHBondContact N-O 3.46Å; T84-S93 PolarHBondContact O-N 3.34Å; T84-S93 VanDerWaalsContact O-N 3.16Å; T84-S93 PolarHBondContact OG1-N 3.33Å; T84-S93 PolarHBondContact OG1-OG 2.87Å
94	L	98.4	Very high	96.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.2	170.3	176.3	66.9	0	0	0	108.8	T40 M41 W54 L66 I67 L81 R82 Y107	T40-L94 WeakPolarHBondContact CA-O 3.27Å; M41-L94 HydrophobicContact CE-CB 4.14Å; M41-L94 HydrophobicContact CE-CD2 3.62Å; M41-L94 HydrophobicContact CE-CG 3.83Å; M41-L94 PolarHBondContact N-O 3.47Å; M41-L94 PolarHBondContact O-N 2.85Å; W54-L94 HydrophobicContact CB-CD2 4.1Å; W54-L94 HydrophobicContact CD2-CB 3.51Å; W54-L94 HydrophobicContact CD2-CD2 3.91Å; W54-L94 HydrophobicContact CD2-CG 4.24Å; W54-L94 HydrophobicContact CE3-CB 3.68Å; W54-L94 HydrophobicContact CE3-CD2 3.7Å; W54-L94 HydrophobicContact CE3-CG 4.32Å; W54-L94 HydrophobicContact CG-CB 4.09Å; W54-L94 HydrophobicContact CG-CD1 4.48Å; W54-L94 HydrophobicContact CG-CD2 4.1Å; W54-L94 HydrophobicContact CG-CG 4.46Å; W54-L94 HydrophobicContact CH2-CB 3.92Å; W54-L94 HydrophobicContact CZ2-CB 3.79Å; W54-L94 HydrophobicContact CZ3-CB 3.87Å; W54-L94 HydrophobicContact CZ3-CD2 4.4Å; L66-L94 HydrophobicContact CD1-CD2 3.94Å; I67-L94 HydrophobicContact CG2-CD1 3.93Å; L81-L94 HydrophobicContact CB-CD1 4.28Å; L81-L94 HydrophobicContact CD2-CD1 4.48Å; R82-L94 CarbonylContact O-C 3.53Å; R82-L94 WeakPolarHBondContact O-CA 3.36Å; L94-Y107 HydrophobicContact CD2-CD1 3.86Å; L94-Y107 HydrophobicContact CD2-CE1 4.3Å
95	S	98.2	Very high	96.8	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.028	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.9	170.7	-50.2	0	0	0	0	111.3	V39 T40 L81 R82	V39-S95 CarbonylContact O-C 3.59Å; V39-S95 WeakPolarHBondContact O-CA 3.3Å; T40-S95 PolarHBondContact OG1-OG 2.86Å; L81-S95 CarbonylContact C-O 3.5Å; L81-S95 WeakPolarHBondContact CA-O 3.31Å; R82-S95 PolarHBondContact N-O 2.59Å; R82-S95 PolarHBondContact NH2-OG 3.35Å; R82-S95 PolarHBondContact O-N 2.95Å
96	I	98.3	Very high	96.7	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.1	167.3	-45	-176.1	0	0	0	107	D38 V39 M41 R80 L81 T99 Y107	D38-I96 WeakPolarHBondContact CA-O 3.22Å; V39-I96 HydrophobicContact CG1-CB 3.75Å; V39-I96 HydrophobicContact CG1-CD1 4.24Å; V39-I96 HydrophobicContact CG1-CG1 3.95Å; V39-I96 PolarHBondContact N-O 2.82Å; V39-I96 PolarHBondContact O-N 2.9Å; M41-I96 HydrophobicContact CE-CD1 4.07Å; M41-I96 HydrophobicContact CE-CG1 4.16Å; R80-I96 HydrophobicContact CB-CG2 4.39Å; R80-I96 WeakPolarHBondContact O-CA 3.34Å; L81-I96 HydrophobicContact CD2-CB 4.27Å; L81-I96 HydrophobicContact CD2-CD1 4.09Å; L81-I96 HydrophobicContact CD2-CG1 3.66Å; L81-I96 HydrophobicContact CD2-CG2 4.12Å; I96-T99 HydrophobicContact CB-CG2 4.32Å; I96-T99 HydrophobicContact CG2-CG2 4.36Å; I96-Y107 HydrophobicContact CD1-CE1 3.69Å; I96-Y107 VanDerWaalsContact CD1-OH 3.27Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.1Å
97	T	98.2	Very high	96.7	Very high	65 Å²	65	45.1 Å²	45.1	40%	0.399	29%	0.287	S	S	.	.	S	Bend	trans	-87.8	141.1	175.8	58.9	0	0	0	0	111.2	D38 R80	D38-T97 WeakPolarHBondContact OD1-CA 3.36Å; R80-T97 WeakPolarHBondContact CB-O 3.43Å; R80-T97 WeakPolarHBondContact CD-O 3.48Å; R80-T97 PolarHBondContact NH1-O 3.05Å; R80-T97 PolarHBondContact O-N 3.02Å; R80-T97 PolarHBondContact O-OG1 2.63Å
98	G	97.9	Very high	96.8	Very high	26 Å²	26	46.4 Å²	46.4	27%	0.268	29%	0.29	S	S	.	.	S	Bend	trans	51.1	66.4	179.8	0	0	0	0	0	111.8	D38 R80	D38-G98 PolarHBondContact OD1-N 2.91Å; R80-G98 PolarHBondContact NH1-O 2.84Å
99	T	97.6	Very high	96.9	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.08	27%	0.268	C	S	.	.			trans	-54.3	143.6	-177.6	50.2	0	0	0	0	111.6	Q34 E35 G36 E37 V39 I96	Q34-T99 PolarHBondContact O-OG1 3.1Å; E35-T99 VanDerWaalsContact CG-O 3.22Å; E35-T99 WeakPolarHBondContact CG-O 3.22Å; G36-T99 PolarHBondContact N-O 3.34Å; E37-T99 WeakPolarHBondContact O-CB 3.45Å; E37-T99 VanDerWaalsContact O-CG2 3.22Å; E37-T99 WeakPolarHBondContact O-CG2 3.47Å; E37-T99 PolarHBondContact O-N 3.36Å; E37-T99 PolarHBondContact O-OG1 3.04Å; V39-T99 HydrophobicContact CB-CG2 4.2Å; V39-T99 HydrophobicContact CG1-CG2 3.56Å; I96-T99 HydrophobicContact CB-CG2 4.32Å; I96-T99 HydrophobicContact CG2-CG2 4.36Å
100	L	97.5	Very high	96.9	Very high	77 Å²	77	42.2 Å²	42.2	40%	0.403	26%	0.262	S	S	.	.			trans	-114.8	156.4	175.4	-62.6	177.5	0	0	0	109.7	E35 T102 D103	E35-L100 HydrophobicContact CG-CD2 4.49Å; E35-L100 WeakPolarHBondContact OE1-CA 3.4Å; L100-T102 PolarHBondContact O-N 3.22Å; L100-D103 PolarHBondContact N-OD2 2.81Å; L100-D103 WeakPolarHBondContact O-CB 3.45Å; L100-D103 PolarHBondContact O-N 2.85Å
101	A	95.8	Very high	96.9	Very high	67 Å²	67	41.5 Å²	41.5	55%	0.554	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-52.6	-31.8	173	0	0	0	0	0	112.6	E35 D103 T104	E35-A101 PolarHBondContact OE1-N 3.16Å; A101-D103 PolarHBondContact O-N 3.12Å; A101-T104 WeakPolarHBondContact O-CB 3.37Å; A101-T104 PolarHBondContact O-N 2.93Å; A101-T104 PolarHBondContact O-OG1 3.4Å
102	T	95.7	Very high	96.2	Very high	85 Å²	85	47.1 Å²	47.1	52%	0.521	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-71.2	-8.8	177.9	69.7	0	0	0	0	115.3	K58 L100	K58-T102 WeakPolarHBondContact CE-O 3.04Å; K58-T102 PolarHBondContact NZ-O 2.89Å; L100-T102 PolarHBondContact O-N 3.22Å
103	D	96.7	Very high	96.1	Very high	14 Å²	14	49.5 Å²	49.5	8%	0.075	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-84.4	-10.7	174.1	-64.3	-38.3	0	0	0	112.4	R56 R80 L100 A101 A105 Y107	R56-D103 IonicContact NH1-OD1 3.75Å; R80-D103 IonicContact CZ-OD1 2.93Å; R80-D103 IonicContact CZ-OD2 2.82Å; R80-D103 VanDerWaalsContact CZ-OD2 3.23Å; R80-D103 IonicContact NH1-OD2 3.84Å; R80-D103 PolarHBondContact NH1-OD2 3.48Å; R80-D103 VanDerWaalsContact NH2-CG 3.27Å; R80-D103 IonicContact NH2-OD1 2.99Å; R80-D103 PolarHBondContact NH2-OD1 2.82Å; R80-D103 IonicContact NH2-OD2 2.78Å; R80-D103 PolarHBondContact NH2-OD2 2.8Å; L100-D103 PolarHBondContact N-OD2 2.81Å; L100-D103 WeakPolarHBondContact O-CB 3.45Å; L100-D103 PolarHBondContact O-N 2.85Å; A101-D103 PolarHBondContact O-N 3.12Å; D103-A105 PolarHBondContact O-N 2.69Å; D103-Y107 VanDerWaalsContact O-CE2 3.3Å; D103-Y107 WeakPolarHBondContact O-CE2 3.44Å; D103-Y107 PolarHBondContact O-OH 2.8Å
104	T	96.5	Very high	96	Very high	116 Å²	116	51.3 Å²	51.3	71%	0.712	32%	0.315	S	S	*	.			trans	-57	112.6	175.7	-52.4	0	0	0	0	111.1	A101	A101-T104 WeakPolarHBondContact O-CB 3.37Å; A101-T104 PolarHBondContact O-N 2.93Å; A101-T104 PolarHBondContact O-OG1 3.4Å
105	A	96.6	Very high	95.9	Very high	31 Å²	31	54.1 Å²	54.1	26%	0.256	33%	0.332	S	S	.	.	S	Bend	trans	-169.5	170.5	-174.5	0	0	0	0	0	111.1	R56 Q57 K58 D103 Y107	R56-A105 HydrophobicContact CG-CB 3.4Å; Q57-A105 VanDerWaalsContact O-CB 3.3Å; Q57-A105 WeakPolarHBondContact O-CB 3.35Å; K58-A105 HydrophobicContact CG-CB 4.26Å; D103-A105 PolarHBondContact O-N 2.69Å; A105-Y107 HydrophobicContact CB-CD2 4.26Å; A105-Y107 HydrophobicContact CB-CE2 3.74Å; A105-Y107 WeakPolarHBondContact O-CD2 3.41Å
106	V	95.9	Very high	95.8	Very high	80 Å²	80	57.1 Å²	57.1	49%	0.485	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.9	162.2	-179.9	0	0	0	0	108.4	R56 Q57 F108	R56-V106 WeakPolarHBondContact CA-O 3.42Å; Q57-V106 HydrophobicContact CB-CB 4.43Å; Q57-V106 PolarHBondContact N-O 2.95Å; Q57-V106 PolarHBondContact O-N 3.12Å; V106-F108 HydrophobicContact CG1-CD1 4.4Å
107	Y	96.8	Very high	95.6	Very high	42 Å²	42	60.5 Å²	60.5	17%	0.165	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.5	177.1	-69.6	-102.6	0	0	0	109.1	M41 Y55 R56 L66 L94 I96 D103 A105	M41-Y107 HydrophobicContact CE-CD1 3.67Å; M41-Y107 HydrophobicContact CE-CD2 4.34Å; M41-Y107 HydrophobicContact CE-CE1 4.05Å; M41-Y107 HydrophobicContact CE-CG 3.82Å; M41-Y107 WeakPolarHBondContact SD-CB 3.27Å; M41-Y107 HydrophobicContact SD-CD1 3.92Å; M41-Y107 HydrophobicContact SD-CD2 3.7Å; M41-Y107 HydrophobicContact SD-CE2 4.46Å; M41-Y107 HydrophobicContact SD-CG 3.39Å; Y55-Y107 WeakPolarHBondContact O-CA 3.13Å; R56-Y107 HydrophobicContact CB-CD1 4.21Å; R56-Y107 HydrophobicContact CB-CE1 4.05Å; R56-Y107 WeakPolarHBondContact CD-OH 3.36Å; R56-Y107 HydrophobicContact CG-CD1 4.4Å; R56-Y107 HydrophobicContact CG-CE1 3.96Å; R56-Y107 HydrophobicContact CG-CE2 4.35Å; L66-Y107 HydrophobicContact CD1-CD1 3.86Å; L66-Y107 HydrophobicContact CD1-CE1 3.59Å; L94-Y107 HydrophobicContact CD2-CD1 3.86Å; L94-Y107 HydrophobicContact CD2-CE1 4.3Å; I96-Y107 HydrophobicContact CD1-CE1 3.69Å; I96-Y107 VanDerWaalsContact CD1-OH 3.27Å; I96-Y107 WeakPolarHBondContact CD1-OH 3.1Å; D103-Y107 VanDerWaalsContact O-CE2 3.3Å; D103-Y107 WeakPolarHBondContact O-CE2 3.44Å; D103-Y107 PolarHBondContact O-OH 2.8Å; A105-Y107 HydrophobicContact CB-CD2 4.26Å; A105-Y107 HydrophobicContact CB-CE2 3.74Å; A105-Y107 WeakPolarHBondContact O-CD2 3.41Å
108	F	95.5	Very high	95.5	Very high	69 Å²	69	60.2 Å²	60.2	30%	0.303	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.5	178.6	57.9	-92.5	0	0	0	110.7	Y55 Q57 P63 V106	Y55-F108 VanDerWaalsContact CB-CE2 3.45Å; Y55-F108 HydrophobicContact CD1-CE2 4.46Å; Y55-F108 HydrophobicContact CD2-CD2 4.1Å; Y55-F108 AromaticContact CD2-CE2 3.75Å; Y55-F108 HydrophobicContact CD2-CE2 3.75Å; Y55-F108 HydrophobicContact CG-CD2 4.24Å; Y55-F108 AromaticContact CG-CE2 3.64Å; Y55-F108 HydrophobicContact CG-CE2 3.64Å; Y55-F108 HydrophobicContact CG-CZ 4.03Å; Y55-F108 PolarHBondContact N-O 2.53Å; Y55-F108 PolarHBondContact O-N 2.84Å; Q57-F108 HydrophobicContact CB-CE1 4.22Å; P63-F108 HydrophobicContact CB-CE1 4.17Å; P63-F108 HydrophobicContact CB-CZ 3.56Å; P63-F108 HydrophobicContact CG-CE1 4.17Å; P63-F108 HydrophobicContact CG-CZ 3.65Å; V106-F108 HydrophobicContact CG1-CD1 4.4Å
109	C	96.2	Very high	95.3	Very high	41 Å²	41	62.6 Å²	62.6	28%	0.277	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	153.6	175.6	60.1	0	0	0	0	110.1	C43 V52 Q53 W54	C43-C109 HydrophobicContact CB-CB 3.58Å; C43-C109 WeakPolarHBondContact CB-SG 3.3Å; C43-C109 WeakPolarHBondContact SG-CB 3.32Å; C43-C109 CovalentContact SG-SG 2Å; C43-C109 PolarHBondContact SG-SG 2.93Å; V52-C109 HydrophobicContact CG1-CB 3.97Å; Q53-C109 CarbonylContact O-C 3.51Å; Q53-C109 VanDerWaalsContact O-CA 3.24Å; Q53-C109 WeakPolarHBondContact O-CA 3.27Å; W54-C109 HydrophobicContact CD2-CB 4.28Å; W54-C109 HydrophobicContact CE3-CB 4.26Å; W54-C109 HydrophobicContact CH2-CB 4.4Å; W54-C109 HydrophobicContact CZ2-CB 4.39Å; W54-C109 HydrophobicContact CZ3-CB 4.33Å
110	A	96.1	Very high	95.1	Very high	36 Å²	36	66.5 Å²	66.5	30%	0.298	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141	168.2	0	0	0	0	0	109.5	Q53 Y55	Q53-A110 PolarHBondContact N-O 2.91Å; Q53-A110 PolarHBondContact O-N 3.03Å; Y55-A110 HydrophobicContact CE2-CB 4.1Å
111	T	94.4	Very high	94.9	Very high	54 Å²	54	65.6 Å²	65.6	33%	0.331	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	166.5	165.8	67.4	0	0	0	0	109.1	Y45 T49	Y45-T111 HydrophobicContact CD1-CG2 3.92Å; Y45-T111 HydrophobicContact CD2-CG2 4.33Å; Y45-T111 HydrophobicContact CG-CG2 3.75Å; T49-T111 HydrophobicContact CG2-CG2 3.55Å
112	D	82.9	Confident	94.8	Very high	152 Å²	152	65.5 Å²	65.5	81%	0.813	39%	0.385	S	S	*	.			trans	-67.6	0	162.9	54.2	-8.8	0	0	0	112.6	T49	T49-D112 VanDerWaalsContact CB-OD1 3.27Å; T49-D112 WeakPolarHBondContact CB-OD1 3.14Å; T49-D112 PolarHBondContact OG1-OD1 2.71Å

Retrieved 112 of 112 residues in 62.7 ms (Link to these results)

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