A0A075B655_MOUSE Loading...

T cell receptor alpha variable 17

AlphaFold DB , UniProt , Accession A0A075B655, Species MOUSE (Mus musculus, Mouse), Gene Trav17, Length 113 aa.

						>A0A075B655_MOUSE|A0A075B655|Trav17
MFPVTILLLSAFFSLRGNSAQSVDQPDAHVTLSEGASLELRCSYSYSAAPYLFWYVQYPGQSLQFLLKYITGDTVVKGTKGFEAEFRKSNSSFNLKKSPAHWSDSAKYFCALE
					

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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	54.3	Low	48.9	Very low	228 Å²	228	147.4 Å²	147.4	100%	1.123	82%	0.818	S	S	*	*				0	110.6	0	-75.6	161.5	86.7	0	0	108.4
2	F	39.8	Very low	49.1	Very low	207 Å²	207	150.5 Å²	150.5	91%	0.908	82%	0.818	S	S	*	*			trans	-160.7	107.6	150.4	-79.2	-68	0	0	0	105.5
3	P	43.2	Very low	48.7	Very low	121 Å²	121	152.8 Å²	152.8	79%	0.786	82%	0.816	S	S	*	*			trans	-83.2	127.7	173.2	32	-26.6	0	0	0	108.3
4	V	45.8	Very low	48.4	Very low	127 Å²	127	149.6 Å²	149.6	77%	0.77	81%	0.811	S	S	*	*			trans	-100.3	112.2	166.2	-180	0	0	0	0	106.7	I6	V4-I6 HydrophobicContact CG1-CG1 4.27Å
5	T	56	Low	48.3	Very low	133 Å²	133	149.9 Å²	149.9	82%	0.816	81%	0.811	S	S	*	*			trans	-82.8	120.4	172.8	31.4	0	0	0	0	109.3
6	I	54.5	Low	48.2	Very low	139 Å²	139	156.5 Å²	156.5	71%	0.713	82%	0.821	S	S	*	*			trans	-109.2	109.2	170.4	-61.3	176.9	0	0	0	107	V4 L8	V4-I6 HydrophobicContact CG1-CG1 4.27Å; I6-L8 HydrophobicContact CG2-CD1 3.9Å; I6-L8 HydrophobicContact CG2-CG 3.96Å
7	L	47.7	Very low	48	Very low	168 Å²	168	150 Å²	150	88%	0.88	80%	0.8	S	S	*	*			trans	-86.9	120.7	167.9	-83.8	161.5	0	0	0	108.3
8	L	46.5	Very low	48.5	Very low	154 Å²	154	151.3 Å²	151.3	81%	0.806	81%	0.807	S	S	*	*			trans	-138.3	131.6	167.2	-73.2	173.2	0	0	0	110.9	I6	I6-L8 HydrophobicContact CG2-CD1 3.9Å; I6-L8 HydrophobicContact CG2-CG 3.96Å
9	L	44.5	Very low	49.2	Very low	171 Å²	171	148.3 Å²	148.3	90%	0.895	80%	0.8	S	S	*	*			trans	-53.4	131.2	-173.5	-86.5	80.2	0	0	0	112.9	A11	L9-A11 PolarHBondContact O-N 3Å; L9-A11 VanDerWaalsContact O-N 3.15Å
10	S	51.8	Low	50.5	Low	98 Å²	98	144.3 Å²	144.3	69%	0.685	79%	0.787	S	S	*	*			trans	-73.8	97.7	163.1	47.8	0	0	0	0	109.9	F12	S10-F12 PolarHBondContact O-N 3.19Å
11	A	53.2	Low	52.4	Low	75 Å²	75	141.2 Å²	141.2	62%	0.62	77%	0.768	S	S	*	*			trans	-80.3	95.2	163.4	0	0	0	0	0	108.7	L9 F13	L9-A11 PolarHBondContact O-N 3Å; L9-A11 VanDerWaalsContact O-N 3.15Å; A11-F13 VanDerWaalsContact C-N 3.32Å; A11-F13 HydrophobicContact CB-CD2 3.97Å; A11-F13 HydrophobicContact CB-CE2 4.09Å; A11-F13 PolarHBondContact O-N 3.33Å
12	F	51.3	Low	54.3	Low	185 Å²	185	133.2 Å²	133.2	81%	0.811	74%	0.735	S	S	*	*			trans	-72	87.1	168.4	-81.7	-82.4	0	0	0	109.5	S10 S14	S10-F12 PolarHBondContact O-N 3.19Å; F12-S14 PolarHBondContact O-N 2.79Å
13	F	44	Very low	57	Low	180 Å²	180	126 Å²	126	79%	0.789	71%	0.708	S	S	*	*			trans	-83.8	97.3	166.1	-87.6	-88.4	0	0	0	109.4	A11 L15	A11-F13 VanDerWaalsContact C-N 3.32Å; A11-F13 HydrophobicContact CB-CD2 3.97Å; A11-F13 HydrophobicContact CB-CE2 4.09Å; A11-F13 PolarHBondContact O-N 3.33Å; F13-L15 PolarHBondContact O-N 3.45Å
14	S	44.6	Very low	59.6	Low	108 Å²	108	124.5 Å²	124.5	76%	0.755	69%	0.692	S	S	*	*			trans	-89.4	93.3	164.6	-68.8	0	0	0	0	109.4	F12 R16	F12-S14 PolarHBondContact O-N 2.79Å; S14-R16 PolarHBondContact O-N 3.03Å
15	L	47.9	Very low	62.1	Low	155 Å²	155	121.6 Å²	121.6	81%	0.812	67%	0.671	S	S	*	*			trans	-84.1	98.2	163.7	-77.9	163.2	0	0	0	108.2	F13 G17	F13-L15 PolarHBondContact O-N 3.45Å; L15-G17 PolarHBondContact O-N 3.02Å; L15-G17 VanDerWaalsContact O-N 3.11Å
16	R	46.5	Very low	64	Low	255 Å²	255	118.1 Å²	118.1	96%	0.962	65%	0.65	S	S	*	*			trans	-75.4	91.6	166.4	-88.7	-172.4	178.4	-147.8	0.4	109	S14	S14-R16 PolarHBondContact O-N 3.03Å
17	G	45	Very low	65.9	Low	46 Å²	46	114.3 Å²	114.3	47%	0.474	63%	0.632	S	S	.	*			trans	-97.5	135.8	164.6	0	0	0	0	0	110.7	L15 S19 A20	L15-G17 PolarHBondContact O-N 3.02Å; L15-G17 VanDerWaalsContact O-N 3.11Å; G17-S19 PolarHBondContact O-N 3.15Å; G17-S19 VanDerWaalsContact O-N 3.14Å; G17-A20 PolarHBondContact O-N 3.24Å
18	N	57	Low	68	Low	173 Å²	173	110.5 Å²	110.5	93%	0.925	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	107.6	173.7	-146.2	42.4	0	0	0	107.2
19	S	61.4	Low	70.2	Confident	95 Å²	95	111.6 Å²	111.6	66%	0.664	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	77	61.4	-164	-52.1	0	0	0	0	115.2	G17 Q21	G17-S19 PolarHBondContact O-N 3.15Å; G17-S19 VanDerWaalsContact O-N 3.14Å; S19-Q21 PolarHBondContact O-N 2.82Å
20	A	75.5	Confident	72.7	Confident	67 Å²	67	106.6 Å²	106.6	55%	0.554	60%	0.601	S	S	*	*			trans	-69.4	113.8	167.7	0	0	0	0	0	110	G17	G17-A20 PolarHBondContact O-N 3.24Å
21	Q	89.1	Confident	74.8	Confident	80 Å²	80	108.7 Å²	108.7	37%	0.374	61%	0.61	S	S	.	*			trans	-79.7	138.7	169.1	69.3	-179.2	-0.3	0	0	110.1	S19 S45 Y46 L112 E113	S19-Q21 PolarHBondContact O-N 2.82Å; Q21-S45 VanDerWaalsContact CA-O 3.29Å; Q21-S45 WeakPolarHBondContact CA-O 3.36Å; Q21-Y46 HydrophobicContact CB-CD2 3.62Å; Q21-Y46 HydrophobicContact CB-CE2 4.06Å; Q21-Y46 HydrophobicContact CB-CG 4.22Å; Q21-L112 HydrophobicContact CB-CD2 3.74Å; Q21-L112 HydrophobicContact CG-CD2 4.23Å; Q21-E113 PolarHBondContact NE2-OXT 3.26Å; Q21-E113 PolarHBondContact OE1-OXT 3.18Å
22	S	94.4	Very high	76.8	Confident	61 Å²	61	108.3 Å²	108.3	43%	0.427	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.7	157.7	-178.5	70.7	0	0	0	0	112.6	Y44 S45	S22-Y44 CarbonylContact O-C 3.59Å; S22-Y44 WeakPolarHBondContact O-CA 3.43Å; S22-S45 PolarHBondContact N-O 3.11Å; S22-S45 PolarHBondContact O-N 3.25Å; S22-S45 WeakPolarHBondContact OG-CB 3.24Å
23	V	97.1	Very high	78.9	Confident	56 Å²	56	104 Å²	104	34%	0.339	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.8	145	167.5	-71	0	0	0	0	109.3	S43 L112	V23-S43 CarbonylContact C-O 3.46Å; V23-S43 VanDerWaalsContact CA-O 3.31Å; V23-S43 WeakPolarHBondContact CA-O 3.32Å; V23-L112 HydrophobicContact CG1-CB 3.49Å; V23-L112 VanDerWaalsContact CG1-CB 3.49Å
24	D	97.3	Very high	81.4	Confident	88 Å²	88	100.8 Å²	100.8	47%	0.471	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.1	125.9	176.7	-179.5	74.8	0	0	0	110	C42 S43	D24-C42 WeakPolarHBondContact O-CA 3.46Å; D24-S43 PolarHBondContact N-O 3.24Å; D24-S43 PolarHBondContact O-N 2.78Å
25	Q	98.2	Very high	83.9	Confident	66 Å²	66	97.8 Å²	97.8	31%	0.308	56%	0.564	S	S	.	*			trans	-116.9	95.8	174.5	-70.5	-176.6	-110.1	0	0	107.6	D27 C42 Y108 C110	Q25-D27 VanDerWaalsContact C-N 3.27Å; Q25-D27 PolarHBondContact O-N 2.84Å; Q25-C42 HydrophobicContact CG-CB 4.5Å; Q25-Y108 PolarHBondContact NE2-O 2.87Å; Q25-C110 HydrophobicContact CG-CB 4Å
26	P	95.9	Very high	86.3	Confident	60 Å²	60	92.2 Å²	92.2	39%	0.39	54%	0.54	S	S	.	.			trans	-71.4	-23	-168.2	27.6	-36.5	0	0	0	113.3	R41	P26-R41 HydrophobicContact CG-CB 3.99Å; P26-R41 VanDerWaalsContact CG-CZ 3.42Å
27	D	94.6	Very high	88.8	Confident	60 Å²	60	84.2 Å²	84.2	32%	0.321	52%	0.523	S	S	.	.			trans	-93.8	101.7	-177.6	-56.2	-57.4	0	0	0	110.3	Q25 H29 V30 R41	Q25-D27 VanDerWaalsContact C-N 3.27Å; Q25-D27 PolarHBondContact O-N 2.84Å; D27-H29 VanDerWaalsContact C-N 3.26Å; D27-H29 PolarHBondContact O-N 2.57Å; D27-V30 HydrophobicContact CB-CG2 3.75Å; D27-R41 IonicContact OD1-CZ 3.23Å; D27-R41 IonicContact OD1-NE 2.89Å; D27-R41 IonicContact OD1-NH2 3.28Å; D27-R41 PolarHBondContact OD1-NH2 3.04Å; D27-R41 IonicContact OD2-CZ 2.81Å; D27-R41 IonicContact OD2-NE 3.21Å; D27-R41 PolarHBondContact OD2-NE 2.9Å; D27-R41 IonicContact OD2-NH2 3.24Å; D27-R41 PolarHBondContact OD2-NH2 2.81Å; D27-R41 VanDerWaalsContact OD2-NH2 3.1Å
28	A	91.8	Very high	91.3	Very high	88 Å²	88	82.8 Å²	82.8	73%	0.727	50%	0.504	S	S	*	.	S	Bend	trans	-64.5	-33.2	175.6	0	0	0	0	0	112.4
29	H	93.4	Very high	93.2	Very high	176 Å²	176	78.9 Å²	78.9	82%	0.815	48%	0.48	S	S	*	.			trans	-144.1	134.5	179.6	-61.2	-79.1	0	0	0	110.3	D27	D27-H29 VanDerWaalsContact C-N 3.26Å; D27-H29 PolarHBondContact O-N 2.57Å
30	V	96.1	Very high	95	Very high	66 Å²	66	75.2 Å²	75.2	40%	0.4	45%	0.454	S	S	.	.			trans	-123.5	128.1	172.6	179.7	0	0	0	0	107.9	D27 L32 L38 L40	D27-V30 HydrophobicContact CB-CG2 3.75Å; V30-L32 HydrophobicContact CG1-CD2 4.16Å; V30-L38 HydrophobicContact CG1-CD1 4.48Å; V30-L40 HydrophobicContact CB-CD2 4.05Å; V30-L40 HydrophobicContact CG1-CD2 4.45Å; V30-L40 HydrophobicContact CG2-CD2 3.74Å
31	T	96.3	Very high	96.1	Very high	142 Å²	142	77.6 Å²	77.6	87%	0.871	45%	0.448	S	S	*	.			trans	-122.4	130.7	175.6	-55.2	0	0	0	0	108.3
32	L	95.4	Very high	96.5	Very high	67 Å²	67	73.8 Å²	73.8	35%	0.351	43%	0.431	S	S	.	.			trans	-148.5	157.2	-179.6	58.4	90.8	0	0	0	110	V30 A36 L38 A100	V30-L32 HydrophobicContact CG1-CD2 4.16Å; L32-A36 HydrophobicContact CB-CB 4.48Å; L32-A36 HydrophobicContact CD1-CB 4.21Å; L32-L38 HydrophobicContact CD2-CB 3.93Å; L32-L38 HydrophobicContact CD2-CD1 3.48Å; L32-L38 VanDerWaalsContact CD2-CD1 3.48Å; L32-L38 HydrophobicContact CD2-CG 4.32Å; L32-A100 HydrophobicContact CD1-CB 3.56Å
33	S	96.5	Very high	96.7	Very high	94 Å²	94	72.9 Å²	72.9	66%	0.657	42%	0.424	S	S	*	.			trans	-75.4	146.5	176.5	-57.2	0	0	0	0	111.2	G35 A36	S33-G35 PolarHBondContact O-N 3.08Å; S33-A36 WeakPolarHBondContact O-CB 3.37Å; S33-A36 PolarHBondContact O-N 3.04Å; S33-A36 VanDerWaalsContact O-N 3.08Å
34	E	96.6	Very high	96.6	Very high	114 Å²	114	71 Å²	71	53%	0.533	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	140.6	169.8	178.6	163.3	-142.8	0	0	110.9	A36 H101 W102	E34-A36 VanDerWaalsContact C-N 3.27Å; E34-A36 PolarHBondContact O-N 3.17Å; E34-H101 IonicContact OE1-ND1 3.1Å; E34-H101 PolarHBondContact OE1-ND1 2.92Å; E34-W102 PolarHBondContact OE1-N 2.81Å
35	G	96.8	Very high	96.5	Very high	45 Å²	45	70 Å²	70	46%	0.464	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-16.7	-174.4	0	0	0	0	0	114.5	S33 A100	S33-G35 PolarHBondContact O-N 3.08Å; G35-A100 PolarHBondContact N-O 3.43Å
36	A	98	Very high	96.2	Very high	37 Å²	37	70.5 Å²	70.5	31%	0.306	41%	0.411	S	S	.	.	S	Bend	trans	-72.5	161.1	177.2	0	0	0	0	0	112.2	L32 S33 E34 A100	L32-A36 HydrophobicContact CB-CB 4.48Å; L32-A36 HydrophobicContact CD1-CB 4.21Å; S33-A36 WeakPolarHBondContact O-CB 3.37Å; S33-A36 PolarHBondContact O-N 3.04Å; S33-A36 VanDerWaalsContact O-N 3.08Å; E34-A36 VanDerWaalsContact C-N 3.27Å; E34-A36 PolarHBondContact O-N 3.17Å; A36-A100 WeakPolarHBondContact O-CB 3.16Å; A36-A100 PolarHBondContact O-N 2.9Å
37	S	98	Very high	95.8	Very high	88 Å²	88	72.9 Å²	72.9	62%	0.615	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-79.3	121.8	171.9	-62.4	0	0	0	0	110.2	S98	S37-S98 WeakPolarHBondContact OG-CB 3.35Å; S37-S98 PolarHBondContact OG-OG 2.72Å
38	L	97.3	Very high	95.5	Very high	15 Å²	15	72.5 Å²	72.5	8%	0.079	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	136	172.4	171.2	69.2	0	0	0	110.1	V30 L32 L40 F82 K96 K97 A100	V30-L38 HydrophobicContact CG1-CD1 4.48Å; L32-L38 HydrophobicContact CD2-CB 3.93Å; L32-L38 HydrophobicContact CD2-CD1 3.48Å; L32-L38 VanDerWaalsContact CD2-CD1 3.48Å; L32-L38 HydrophobicContact CD2-CG 4.32Å; L38-L40 HydrophobicContact CD1-CD2 3.72Å; L38-L40 HydrophobicContact CD1-CG 3.85Å; L38-L40 HydrophobicContact CG-CG 4.28Å; L38-F82 HydrophobicContact CD2-CE1 3.75Å; L38-K96 VanDerWaalsContact O-CA 3.29Å; L38-K96 WeakPolarHBondContact O-CA 3.19Å; L38-K97 HydrophobicContact CB-CB 4.31Å; L38-K97 HydrophobicContact CD2-CB 4.28Å; L38-K97 PolarHBondContact N-O 2.9Å; L38-K97 PolarHBondContact O-N 3.1Å; L38-K97 VanDerWaalsContact O-N 3.09Å; L38-A100 HydrophobicContact CB-CB 4.1Å
39	E	97.8	Very high	95.5	Very high	91 Å²	91	72.1 Å²	72.1	43%	0.425	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	123.9	162.8	-177	167.4	169.4	0	0	109.5	N94 L95 K96	E39-N94 HydrophobicContact CG-CB 4.21Å; E39-N94 PolarHBondContact OE1-ND2 2.8Å; E39-L95 CarbonylContact C-O 3.53Å; E39-L95 WeakPolarHBondContact CA-O 3.34Å; E39-K96 HydrophobicContact CB-CG 4.41Å; E39-K96 HydrophobicContact CG-CG 4.18Å
40	L	98.5	Very high	95.5	Very high	19 Å²	19	64 Å²	64	10%	0.099	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.3	172.1	-59	-179.7	0	0	0	109.2	V30 L38 W54 N94 L95 Y108	V30-L40 HydrophobicContact CB-CD2 4.05Å; V30-L40 HydrophobicContact CG1-CD2 4.45Å; V30-L40 HydrophobicContact CG2-CD2 3.74Å; L38-L40 HydrophobicContact CD1-CD2 3.72Å; L38-L40 HydrophobicContact CD1-CG 3.85Å; L38-L40 HydrophobicContact CG-CG 4.28Å; L40-W54 HydrophobicContact CB-CH2 3.88Å; L40-W54 HydrophobicContact CB-CZ2 4.45Å; L40-W54 HydrophobicContact CB-CZ3 4.44Å; L40-W54 HydrophobicContact CD1-CZ3 4.49Å; L40-N94 CarbonylContact O-C 3.59Å; L40-N94 VanDerWaalsContact O-CA 3.24Å; L40-N94 WeakPolarHBondContact O-CA 3.18Å; L40-N94 WeakPolarHBondContact O-CB 3.44Å; L40-L95 HydrophobicContact CB-CB 4.26Å; L40-L95 HydrophobicContact CD1-CD2 4.27Å; L40-L95 PolarHBondContact N-O 2.91Å; L40-L95 PolarHBondContact O-N 2.81Å; L40-Y108 VanDerWaalsContact CD1-CB 3.43Å; L40-Y108 HydrophobicContact CD1-CD1 3.96Å; L40-Y108 HydrophobicContact CD1-CD2 3.58Å; L40-Y108 HydrophobicContact CD1-CE2 4.32Å; L40-Y108 HydrophobicContact CD1-CG 3.38Å
41	R	98.4	Very high	95.5	Very high	116 Å²	116	65.6 Å²	65.6	44%	0.438	39%	0.393	S	S	.	.			trans	-80.4	135.2	-176.1	-63.3	-175.2	-65.9	152.7	-3.9	111.1	P26 D27 N94	P26-R41 HydrophobicContact CG-CB 3.99Å; P26-R41 VanDerWaalsContact CG-CZ 3.42Å; D27-R41 IonicContact OD1-CZ 3.23Å; D27-R41 IonicContact OD1-NE 2.89Å; D27-R41 IonicContact OD1-NH2 3.28Å; D27-R41 PolarHBondContact OD1-NH2 3.04Å; D27-R41 IonicContact OD2-CZ 2.81Å; D27-R41 IonicContact OD2-NE 3.21Å; D27-R41 PolarHBondContact OD2-NE 2.9Å; D27-R41 IonicContact OD2-NH2 3.24Å; D27-R41 PolarHBondContact OD2-NH2 2.81Å; D27-R41 VanDerWaalsContact OD2-NH2 3.1Å; R41-N94 WeakPolarHBondContact CA-OD1 3.29Å
42	C	98.3	Very high	95.6	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.007	35%	0.352	C	S	.	.			trans	-138.9	126.5	167.5	174.5	0	0	0	0	109	D24 Q25 W54 S92 F93 N94 C110	D24-C42 WeakPolarHBondContact O-CA 3.46Å; Q25-C42 HydrophobicContact CG-CB 4.5Å; C42-W54 HydrophobicContact CB-CH2 3.99Å; C42-W54 HydrophobicContact CB-CZ2 3.38Å; C42-S92 CarbonylContact O-C 3.54Å; C42-S92 VanDerWaalsContact O-CA 3.28Å; C42-S92 WeakPolarHBondContact O-CA 3.18Å; C42-S92 WeakPolarHBondContact O-CB 3.5Å; C42-F93 PolarHBondContact O-N 3.5Å; C42-N94 PolarHBondContact N-OD1 2.86Å; C42-N94 PolarHBondContact O-OD1 2.85Å; C42-C110 HydrophobicContact CB-CB 3.53Å; C42-C110 WeakPolarHBondContact CB-SG 3.36Å; C42-C110 WeakPolarHBondContact SG-CB 3.43Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 3.21Å
43	S	97.8	Very high	95.8	Very high	42 Å²	42	56.8 Å²	56.8	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	155.4	168.3	67.1	0	0	0	0	110.2	V23 D24 S91	V23-S43 CarbonylContact C-O 3.46Å; V23-S43 VanDerWaalsContact CA-O 3.31Å; V23-S43 WeakPolarHBondContact CA-O 3.32Å; D24-S43 PolarHBondContact N-O 3.24Å; D24-S43 PolarHBondContact O-N 2.78Å; S43-S91 CarbonylContact C-O 3.52Å; S43-S91 WeakPolarHBondContact CA-O 3.29Å
44	Y	96	Very high	95.9	Very high	15 Å²	15	52.3 Å²	52.3	6%	0.059	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.9	177	71.9	-91.4	0	0	0	110.8	S22 P50 L52 F86 S91	S22-Y44 CarbonylContact O-C 3.59Å; S22-Y44 WeakPolarHBondContact O-CA 3.43Å; Y44-P50 HydrophobicContact CD2-CB 4.2Å; Y44-P50 HydrophobicContact CD2-CG 4.3Å; Y44-P50 HydrophobicContact CE1-CG 4.11Å; Y44-P50 HydrophobicContact CE2-CB 4.05Å; Y44-P50 HydrophobicContact CE2-CG 3.71Å; Y44-L52 HydrophobicContact CD1-CD1 3.57Å; Y44-L52 HydrophobicContact CD1-CD2 4.04Å; Y44-L52 HydrophobicContact CD1-CG 4.44Å; Y44-L52 HydrophobicContact CE1-CD1 3.67Å; Y44-L52 HydrophobicContact CG-CD1 4.37Å; Y44-L52 HydrophobicContact CG-CD2 4.14Å; Y44-F86 HydrophobicContact CE1-CD2 4.41Å; Y44-F86 AromaticContact CE1-CE2 3.78Å; Y44-F86 HydrophobicContact CE1-CE2 3.78Å; Y44-F86 AromaticContact CZ-CE2 3.91Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.31Å; Y44-S91 VanDerWaalsContact CD1-C 3.41Å; Y44-S91 WeakPolarHBondContact CD1-O 3.39Å; Y44-S91 VanDerWaalsContact CE1-CA 3.41Å; Y44-S91 PolarHBondContact N-O 3.15Å; Y44-S91 WeakPolarHBondContact O-CB 3.29Å
45	S	95.2	Very high	96	Very high	69 Å²	69	50 Å²	50	48%	0.483	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107	168	-175.5	0	0	0	0	107.6	Q21 S22	Q21-S45 VanDerWaalsContact CA-O 3.29Å; Q21-S45 WeakPolarHBondContact CA-O 3.36Å; S22-S45 PolarHBondContact N-O 3.11Å; S22-S45 PolarHBondContact O-N 3.25Å; S22-S45 WeakPolarHBondContact OG-CB 3.24Å
46	Y	92.4	Very high	96.1	Very high	76 Å²	76	48 Å²	48	30%	0.298	27%	0.274	S	S	.	.			trans	-157.3	134.3	174.8	-166.8	-142.8	0	0	0	110	Q21 A48 P50 L112	Q21-Y46 HydrophobicContact CB-CD2 3.62Å; Q21-Y46 HydrophobicContact CB-CE2 4.06Å; Q21-Y46 HydrophobicContact CB-CG 4.22Å; Y46-A48 HydrophobicContact CD1-CB 4.16Å; Y46-A48 HydrophobicContact CE1-CB 3.68Å; Y46-A48 HydrophobicContact CE2-CB 4.3Å; Y46-P50 HydrophobicContact CD1-CB 4.03Å; Y46-L112 HydrophobicContact CD1-CD1 4.28Å; Y46-L112 HydrophobicContact CG-CD2 4.37Å
47	S	86.3	Confident	96.1	Very high	109 Å²	109	49.1 Å²	49.1	76%	0.762	27%	0.273	S	S	*	.	S	Bend	trans	-82.2	-20.3	-176.7	53.1	0	0	0	0	113.3
48	A	89.1	Confident	96.1	Very high	52 Å²	52	46 Å²	46	43%	0.43	25%	0.248	S	C	.	.	S	Bend	trans	-97.5	-174	178.7	0	0	0	0	0	112	Y46 P50	Y46-A48 HydrophobicContact CD1-CB 4.16Å; Y46-A48 HydrophobicContact CE1-CB 3.68Å; Y46-A48 HydrophobicContact CE2-CB 4.3Å; A48-P50 VanDerWaalsContact O-CD 3.28Å; A48-P50 WeakPolarHBondContact O-CD 3.39Å
49	A	90.5	Very high	96.1	Very high	80 Å²	80	50.6 Å²	50.6	66%	0.661	28%	0.279	S	S	*	.			trans	-71.2	114.9	173.6	0	0	0	0	0	109.4
50	P	94.4	Very high	96.1	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.039	31%	0.305	C	S	.	.			trans	-82.5	146.3	-176.3	35.4	-37.3	0	0	0	111.3	Y44 Y46 A48 L52 F86 L112	Y44-P50 HydrophobicContact CD2-CB 4.2Å; Y44-P50 HydrophobicContact CD2-CG 4.3Å; Y44-P50 HydrophobicContact CE1-CG 4.11Å; Y44-P50 HydrophobicContact CE2-CB 4.05Å; Y44-P50 HydrophobicContact CE2-CG 3.71Å; Y46-P50 HydrophobicContact CD1-CB 4.03Å; A48-P50 VanDerWaalsContact O-CD 3.28Å; A48-P50 WeakPolarHBondContact O-CD 3.39Å; P50-L52 HydrophobicContact CB-CD1 4.22Å; P50-L52 HydrophobicContact CB-CD2 4.29Å; P50-L52 HydrophobicContact CB-CG 3.98Å; P50-L52 HydrophobicContact CG-CD1 3.95Å; P50-L52 HydrophobicContact CG-CG 4.23Å; P50-F86 HydrophobicContact CG-CE2 3.7Å; P50-F86 HydrophobicContact CG-CZ 4.13Å; P50-L112 HydrophobicContact CB-CD1 3.32Å
51	Y	96.8	Very high	96	Very high	100 Å²	100	54.6 Å²	54.6	39%	0.392	32%	0.322	S	S	.	.			trans	-100.2	118	160.3	-60	-18.2	0	0	0	108.5	F53 Y69 I70 L112 E113	Y51-F53 WeakPolarHBondContact O-CE2 3.43Å; Y51-Y69 WeakPolarHBondContact CA-O 3.02Å; Y51-I70 HydrophobicContact CD1-CB 4.11Å; Y51-I70 HydrophobicContact CD1-CG1 4.3Å; Y51-I70 HydrophobicContact CD1-CG2 3.74Å; Y51-I70 HydrophobicContact CE1-CB 4.31Å; Y51-I70 HydrophobicContact CE1-CG2 3.45Å; Y51-I70 VanDerWaalsContact CE1-CG2 3.45Å; Y51-I70 HydrophobicContact CG-CG1 4.37Å; Y51-I70 HydrophobicContact CG-CG2 4.41Å; Y51-L112 WeakPolarHBondContact O-CA 3.39Å; Y51-E113 PolarHBondContact O-N 2.97Å
52	L	98.1	Very high	96	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141	-171.2	-65.5	165.1	0	0	0	110.5	Y44 P50 K68 Y69 F86 F93 A111 L112	Y44-L52 HydrophobicContact CD1-CD1 3.57Å; Y44-L52 HydrophobicContact CD1-CD2 4.04Å; Y44-L52 HydrophobicContact CD1-CG 4.44Å; Y44-L52 HydrophobicContact CE1-CD1 3.67Å; Y44-L52 HydrophobicContact CG-CD1 4.37Å; Y44-L52 HydrophobicContact CG-CD2 4.14Å; P50-L52 HydrophobicContact CB-CD1 4.22Å; P50-L52 HydrophobicContact CB-CD2 4.29Å; P50-L52 HydrophobicContact CB-CG 3.98Å; P50-L52 HydrophobicContact CG-CD1 3.95Å; P50-L52 HydrophobicContact CG-CG 4.23Å; L52-K68 CarbonylContact O-C 3.49Å; L52-K68 WeakPolarHBondContact O-CA 3.33Å; L52-K68 WeakPolarHBondContact O-CB 3.39Å; L52-Y69 PolarHBondContact N-O 3.48Å; L52-Y69 PolarHBondContact O-N 3.34Å; L52-F86 HydrophobicContact CD1-CD2 3.74Å; L52-F86 HydrophobicContact CD1-CE2 3.93Å; L52-F93 HydrophobicContact CB-CB 4.38Å; L52-F93 HydrophobicContact CB-CD1 3.52Å; L52-F93 HydrophobicContact CB-CE1 3.79Å; L52-F93 HydrophobicContact CB-CG 3.95Å; L52-F93 HydrophobicContact CB-CZ 4.45Å; L52-F93 HydrophobicContact CD1-CB 3.74Å; L52-F93 HydrophobicContact CD1-CD1 4.44Å; L52-F93 HydrophobicContact CD1-CG 4.06Å; L52-A111 WeakPolarHBondContact CA-O 3.43Å; L52-L112 HydrophobicContact CD2-CB 4.06Å; L52-L112 HydrophobicContact CD2-CD1 3.8Å; L52-L112 HydrophobicContact CD2-CG 4.49Å; L52-L112 HydrophobicContact CG-CD1 4.46Å
53	F	98.6	Very high	95.9	Very high	24 Å²	24	57.3 Å²	57.3	11%	0.105	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.4	-172.8	-52.3	-99.8	0	0	0	110.6	Y51 Y55 F65 K68 C110 A111 E113	Y51-F53 WeakPolarHBondContact O-CE2 3.43Å; F53-Y55 HydrophobicContact CB-CD2 4.17Å; F53-Y55 HydrophobicContact CB-CE2 3.52Å; F53-Y55 HydrophobicContact CG-CE2 4.26Å; F53-F65 HydrophobicContact CD1-CE2 4.09Å; F53-K68 HydrophobicContact CD1-CB 3.54Å; F53-K68 HydrophobicContact CD1-CD 4.2Å; F53-K68 HydrophobicContact CE1-CB 3.88Å; F53-K68 HydrophobicContact CE1-CD 3.8Å; F53-K68 HydrophobicContact CE1-CG 4.5Å; F53-K68 HydrophobicContact CG-CB 4.27Å; F53-C110 WeakPolarHBondContact O-CA 3.37Å; F53-A111 HydrophobicContact CB-CB 4.34Å; F53-A111 PolarHBondContact N-O 2.73Å; F53-A111 PolarHBondContact O-N 2.99Å; F53-E113 HydrophobicContact CE2-CB 3.88Å
54	W	98.8	Very high	96	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.3	164	-82.3	99.9	0	0	0	110.9	L40 C42 L66 L67 F93 L95 F109 C110	L40-W54 HydrophobicContact CB-CH2 3.88Å; L40-W54 HydrophobicContact CB-CZ2 4.45Å; L40-W54 HydrophobicContact CB-CZ3 4.44Å; L40-W54 HydrophobicContact CD1-CZ3 4.49Å; C42-W54 HydrophobicContact CB-CH2 3.99Å; C42-W54 HydrophobicContact CB-CZ2 3.38Å; W54-L66 HydrophobicContact CB-CB 4.24Å; W54-L66 HydrophobicContact CB-CD1 4.43Å; W54-L66 WeakPolarHBondContact O-CB 3.38Å; W54-L66 PolarHBondContact O-N 3.45Å; W54-L67 HydrophobicContact CB-CD1 3.89Å; W54-L67 HydrophobicContact CB-CG 4.26Å; W54-L67 HydrophobicContact CG-CD1 4.15Å; W54-L67 PolarHBondContact N-O 3.48Å; W54-F93 AromaticContact CD1-CD1 3.5Å; W54-F93 AromaticContact CD1-CE1 3.41Å; W54-F93 VanDerWaalsContact CD1-CE1 3.41Å; W54-F93 AromaticContact NE1-CD1 3.49Å; W54-F93 AromaticContact NE1-CE1 3.91Å; W54-F93 PolarHBondContact NE1-O 2.82Å; W54-L95 HydrophobicContact CB-CD1 4.02Å; W54-L95 HydrophobicContact CD2-CB 3.77Å; W54-L95 HydrophobicContact CD2-CD1 4.3Å; W54-L95 HydrophobicContact CD2-CD2 4.07Å; W54-L95 HydrophobicContact CD2-CG 4.28Å; W54-L95 HydrophobicContact CE3-CB 4.28Å; W54-L95 HydrophobicContact CE3-CD2 4.05Å; W54-L95 HydrophobicContact CG-CB 4.12Å; W54-L95 HydrophobicContact CG-CD1 3.81Å; W54-L95 HydrophobicContact CG-CD2 4.29Å; W54-L95 HydrophobicContact CG-CG 4.3Å; W54-L95 HydrophobicContact CH2-CB 4.3Å; W54-L95 HydrophobicContact CZ2-CB 3.79Å; W54-F109 WeakPolarHBondContact CA-O 3.4Å; W54-F109 VanDerWaalsContact CE3-C 3.49Å; W54-C110 HydrophobicContact CD2-CB 4.24Å; W54-C110 HydrophobicContact CE3-CB 4.2Å; W54-C110 HydrophobicContact CH2-CB 3.88Å; W54-C110 HydrophobicContact CZ2-CB 3.91Å; W54-C110 HydrophobicContact CZ3-CB 4.01Å
55	Y	98.7	Very high	96.1	Very high	66 Å²	66	61.9 Å²	61.9	26%	0.259	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.2	173.2	-63.8	-94.7	0	0	0	110.5	F53 L63 Q64 F65 Y108 F109 A111	F53-Y55 HydrophobicContact CB-CD2 4.17Å; F53-Y55 HydrophobicContact CB-CE2 3.52Å; F53-Y55 HydrophobicContact CG-CE2 4.26Å; Y55-L63 VanDerWaalsContact CB-CD2 3.5Å; Y55-L63 HydrophobicContact CD1-CD2 3.81Å; Y55-L63 HydrophobicContact CD1-CG 4.49Å; Y55-L63 HydrophobicContact CD2-CD2 4.23Å; Y55-L63 HydrophobicContact CG-CD2 3.59Å; Y55-L63 HydrophobicContact CG-CG 4.42Å; Y55-Q64 CarbonylContact C-O 3.48Å; Y55-Q64 WeakPolarHBondContact CA-O 3.19Å; Y55-Q64 WeakPolarHBondContact CB-O 3.42Å; Y55-F65 HydrophobicContact CD1-CB 4.16Å; Y55-F65 HydrophobicContact CD1-CD2 4.46Å; Y55-F65 HydrophobicContact CE1-CB 3.95Å; Y55-F65 AromaticContact CE1-CD2 3.95Å; Y55-F65 HydrophobicContact CE1-CD2 3.95Å; Y55-F65 HydrophobicContact CE1-CG 4.46Å; Y55-Y108 CarbonylContact O-C 3.52Å; Y55-Y108 WeakPolarHBondContact O-CA 3.28Å; Y55-F109 PolarHBondContact N-O 2.89Å; Y55-F109 PolarHBondContact O-N 3.07Å; Y55-A111 HydrophobicContact CE2-CB 4.33Å
56	V	98.6	Very high	96.2	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.1	172.8	64.6	0	0	0	0	110.1	Y58 Q64 L66 A106 K107 Y108	V56-Y58 HydrophobicContact CB-CE2 4.48Å; V56-Y58 HydrophobicContact CG1-CD2 4.34Å; V56-Y58 HydrophobicContact CG1-CE2 3.7Å; V56-Y58 HydrophobicContact CG2-CD2 4.3Å; V56-Y58 HydrophobicContact CG2-CE1 4.28Å; V56-Y58 HydrophobicContact CG2-CE2 3.9Å; V56-Q64 HydrophobicContact CG1-CB 3.93Å; V56-Q64 PolarHBondContact N-O 3.42Å; V56-Q64 PolarHBondContact O-N 2.9Å; V56-L66 HydrophobicContact CB-CD1 3.98Å; V56-L66 HydrophobicContact CB-CD2 4.25Å; V56-L66 HydrophobicContact CB-CG 4.08Å; V56-L66 HydrophobicContact CG1-CD1 4.33Å; V56-L66 HydrophobicContact CG1-CD2 3.69Å; V56-L66 HydrophobicContact CG1-CG 3.91Å; V56-A106 HydrophobicContact CG2-CB 3.43Å; V56-A106 VanDerWaalsContact CG2-CB 3.43Å; V56-K107 CarbonylContact C-O 3.51Å; V56-K107 WeakPolarHBondContact CA-O 3.38Å; V56-Y108 HydrophobicContact CB-CD1 4.05Å; V56-Y108 HydrophobicContact CB-CE1 3.96Å; V56-Y108 HydrophobicContact CG2-CD1 3.98Å; V56-Y108 HydrophobicContact CG2-CE1 3.61Å; V56-Y108 HydrophobicContact CG2-CE2 4.39Å
57	Q	98.5	Very high	96.5	Very high	62 Å²	62	55.4 Å²	55.4	29%	0.29	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	106.5	171.2	-174	-176.1	47.2	0	0	109.2	Q61 L63 K107 F109	Q57-Q61 WeakPolarHBondContact CG-O 3.46Å; Q57-L63 HydrophobicContact CB-CD1 4.2Å; Q57-K107 HydrophobicContact CB-CB 4.35Å; Q57-K107 PolarHBondContact N-O 2.94Å; Q57-K107 PolarHBondContact O-N 2.86Å; Q57-F109 HydrophobicContact CB-CD2 4.5Å; Q57-F109 HydrophobicContact CB-CE2 3.8Å
58	Y	97.4	Very high	97.1	Very high	21 Å²	21	55 Å²	55	8%	0.082	32%	0.317	C	S	.	.			trans	-75.4	155.3	171.7	-65.2	-77	0	0	0	111.1	V56 G60 Q61 K80 S103 A106	V56-Y58 HydrophobicContact CB-CE2 4.48Å; V56-Y58 HydrophobicContact CG1-CD2 4.34Å; V56-Y58 HydrophobicContact CG1-CE2 3.7Å; V56-Y58 HydrophobicContact CG2-CD2 4.3Å; V56-Y58 HydrophobicContact CG2-CE1 4.28Å; V56-Y58 HydrophobicContact CG2-CE2 3.9Å; Y58-G60 PolarHBondContact O-N 2.93Å; Y58-Q61 PolarHBondContact O-N 2.76Å; Y58-K80 VanDerWaalsContact CE2-NZ 3.31Å; Y58-K80 PolarHBondContact OH-NZ 2.94Å; Y58-S103 VanDerWaalsContact CE1-O 3.24Å; Y58-S103 WeakPolarHBondContact CE1-O 3.33Å; Y58-A106 HydrophobicContact CD1-CB 3.63Å; Y58-A106 HydrophobicContact CE1-CB 3.79Å; Y58-A106 HydrophobicContact CG-CB 4.27Å
59	P	97.3	Very high	97.5	Very high	112 Å²	112	53.8 Å²	53.8	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	124.5	175.9	-27.5	35.6	0	0	0	112.2	Q61	P59-Q61 VanDerWaalsContact C-N 3.26Å; P59-Q61 PolarHBondContact O-N 3.4Å
60	G	97.5	Very high	97.8	Very high	94 Å²	94	53 Å²	53	97%	0.969	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	5.5	179.2	0	0	0	0	0	115.9	Y58	Y58-G60 PolarHBondContact O-N 2.93Å
61	Q	97.6	Very high	97.8	Very high	101 Å²	101	58.3 Å²	58.3	47%	0.472	32%	0.318	S	S	.	.			trans	-111.4	160.1	-178.9	-59.3	-176.4	21.4	0	0	111.9	Q57 Y58 P59	Q57-Q61 WeakPolarHBondContact CG-O 3.46Å; Y58-Q61 PolarHBondContact O-N 2.76Å; P59-Q61 VanDerWaalsContact C-N 3.26Å; P59-Q61 PolarHBondContact O-N 3.4Å
62	S	97.5	Very high	97.7	Very high	88 Å²	88	56 Å²	56	62%	0.615	33%	0.325	S	S	*	.			trans	-69.8	165.3	170.2	61.6	0	0	0	0	111.3	Q64	S62-Q64 PolarHBondContact O-N 3.08Å
63	L	97.6	Very high	97.6	Very high	86 Å²	86	62.6 Å²	62.6	45%	0.45	36%	0.36	S	S	.	.			trans	-55.9	136.2	168.1	-121.3	86.7	0	0	0	110	Y55 Q57 F109	Y55-L63 VanDerWaalsContact CB-CD2 3.5Å; Y55-L63 HydrophobicContact CD1-CD2 3.81Å; Y55-L63 HydrophobicContact CD1-CG 4.49Å; Y55-L63 HydrophobicContact CD2-CD2 4.23Å; Y55-L63 HydrophobicContact CG-CD2 3.59Å; Y55-L63 HydrophobicContact CG-CG 4.42Å; Q57-L63 HydrophobicContact CB-CD1 4.2Å; L63-F109 HydrophobicContact CD1-CD2 3.85Å; L63-F109 HydrophobicContact CD1-CE2 3.86Å; L63-F109 HydrophobicContact CG-CD2 4.35Å
64	Q	98.3	Very high	97.4	Very high	59 Å²	59	64.5 Å²	64.5	28%	0.276	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.3	177.4	-70.1	170.9	42.5	0	0	109.6	Y55 V56 S62	Y55-Q64 CarbonylContact C-O 3.48Å; Y55-Q64 WeakPolarHBondContact CA-O 3.19Å; Y55-Q64 WeakPolarHBondContact CB-O 3.42Å; V56-Q64 HydrophobicContact CG1-CB 3.93Å; V56-Q64 PolarHBondContact N-O 3.42Å; V56-Q64 PolarHBondContact O-N 2.9Å; S62-Q64 PolarHBondContact O-N 3.08Å
65	F	98.3	Very high	97.4	Very high	94 Å²	94	67.8 Å²	67.8	41%	0.412	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	133.8	178	175.6	-106.7	0	0	0	111.4	F53 Y55 L67 K68	F53-F65 HydrophobicContact CD1-CE2 4.09Å; Y55-F65 HydrophobicContact CD1-CB 4.16Å; Y55-F65 HydrophobicContact CD1-CD2 4.46Å; Y55-F65 HydrophobicContact CE1-CB 3.95Å; Y55-F65 AromaticContact CE1-CD2 3.95Å; Y55-F65 HydrophobicContact CE1-CD2 3.95Å; Y55-F65 HydrophobicContact CE1-CG 4.46Å; F65-L67 WeakPolarHBondContact CE2-O 3.36Å; F65-L67 VanDerWaalsContact CZ-CA 3.47Å; F65-K68 HydrophobicContact CE2-CB 3.91Å; F65-K68 HydrophobicContact CE2-CD 4.42Å; F65-K68 HydrophobicContact CE2-CG 4.37Å; F65-K68 HydrophobicContact CZ-CB 3.88Å; F65-K68 HydrophobicContact CZ-CD 4.06Å; F65-K68 HydrophobicContact CZ-CG 3.9Å
66	L	98.4	Very high	97.4	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-57.5	174.4	-70.5	-179.9	0	0	0	112.4	W54 V56 G78 T79 F82 L95 Y108	W54-L66 HydrophobicContact CB-CB 4.24Å; W54-L66 HydrophobicContact CB-CD1 4.43Å; W54-L66 WeakPolarHBondContact O-CB 3.38Å; W54-L66 PolarHBondContact O-N 3.45Å; V56-L66 HydrophobicContact CB-CD1 3.98Å; V56-L66 HydrophobicContact CB-CD2 4.25Å; V56-L66 HydrophobicContact CB-CG 4.08Å; V56-L66 HydrophobicContact CG1-CD1 4.33Å; V56-L66 HydrophobicContact CG1-CD2 3.69Å; V56-L66 HydrophobicContact CG1-CG 3.91Å; L66-G78 VanDerWaalsContact O-CA 3.28Å; L66-G78 WeakPolarHBondContact O-CA 3.16Å; L66-T79 PolarHBondContact O-N 3.3Å; L66-T79 VanDerWaalsContact O-N 3.17Å; L66-F82 HydrophobicContact CD1-CD2 4.33Å; L66-F82 HydrophobicContact CD1-CG 4.3Å; L66-F82 HydrophobicContact CD2-CD2 3.97Å; L66-F82 HydrophobicContact CD2-CE2 4.38Å; L66-L95 HydrophobicContact CD1-CD1 4.48Å; L66-L95 HydrophobicContact CD1-CD2 3.76Å; L66-Y108 HydrophobicContact CD1-CD1 3.89Å; L66-Y108 HydrophobicContact CD1-CE1 3.91Å
67	L	98.6	Very high	97.4	Very high	4 Å²	4	74.1 Å²	74.1	2%	0.021	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	166.1	-174.7	52.5	78.3	0	0	0	111.9	W54 F65 V76 F82 A84 F93 L95	W54-L67 HydrophobicContact CB-CD1 3.89Å; W54-L67 HydrophobicContact CB-CG 4.26Å; W54-L67 HydrophobicContact CG-CD1 4.15Å; W54-L67 PolarHBondContact N-O 3.48Å; F65-L67 WeakPolarHBondContact CE2-O 3.36Å; F65-L67 VanDerWaalsContact CZ-CA 3.47Å; L67-V76 HydrophobicContact CB-CG2 4.49Å; L67-V76 HydrophobicContact CD1-CG2 3.89Å; L67-V76 HydrophobicContact CD2-CG2 4.38Å; L67-V76 HydrophobicContact CG-CG2 4.5Å; L67-F82 HydrophobicContact CD2-CB 4.36Å; L67-A84 HydrophobicContact CD1-CB 3.59Å; L67-A84 HydrophobicContact CD2-CB 4.08Å; L67-F93 HydrophobicContact CD1-CE1 3.76Å; L67-F93 HydrophobicContact CD1-CZ 3.56Å; L67-L95 HydrophobicContact CD1-CD1 4.23Å; L67-L95 HydrophobicContact CD2-CD1 3.72Å; L67-L95 HydrophobicContact CG-CD1 4.09Å
68	K	98.1	Very high	97.3	Very high	101 Å²	101	72.4 Å²	72.4	44%	0.439	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	156.6	176.5	68.6	-173.4	-179.5	177.9	0	112.7	L52 F53 F65 I70	L52-K68 CarbonylContact O-C 3.49Å; L52-K68 WeakPolarHBondContact O-CA 3.33Å; L52-K68 WeakPolarHBondContact O-CB 3.39Å; F53-K68 HydrophobicContact CD1-CB 3.54Å; F53-K68 HydrophobicContact CD1-CD 4.2Å; F53-K68 HydrophobicContact CE1-CB 3.88Å; F53-K68 HydrophobicContact CE1-CD 3.8Å; F53-K68 HydrophobicContact CE1-CG 4.5Å; F53-K68 HydrophobicContact CG-CB 4.27Å; F65-K68 HydrophobicContact CE2-CB 3.91Å; F65-K68 HydrophobicContact CE2-CD 4.42Å; F65-K68 HydrophobicContact CE2-CG 4.37Å; F65-K68 HydrophobicContact CZ-CB 3.88Å; F65-K68 HydrophobicContact CZ-CD 4.06Å; F65-K68 HydrophobicContact CZ-CG 3.9Å; K68-I70 HydrophobicContact CD-CD1 3.87Å; K68-I70 HydrophobicContact CD-CG1 4.2Å; K68-I70 HydrophobicContact CG-CG1 4.42Å
69	Y	98.3	Very high	97.3	Very high	27 Å²	27	74.6 Å²	74.6	11%	0.106	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.1	164.4	175.3	-95.3	0	0	0	109.4	Y51 L52 D73 V76 F86	Y51-Y69 WeakPolarHBondContact CA-O 3.02Å; L52-Y69 PolarHBondContact N-O 3.48Å; L52-Y69 PolarHBondContact O-N 3.34Å; Y69-D73 WeakPolarHBondContact CE2-O 3.44Å; Y69-V76 HydrophobicContact CD2-CG1 4.19Å; Y69-F86 HydrophobicContact CD1-CB 3.93Å; Y69-F86 AromaticContact CD1-CD1 3.96Å; Y69-F86 HydrophobicContact CD1-CD1 3.96Å; Y69-F86 AromaticContact CD1-CD2 3.71Å; Y69-F86 HydrophobicContact CD1-CD2 3.71Å; Y69-F86 HydrophobicContact CD1-CE1 4.38Å; Y69-F86 HydrophobicContact CD1-CE2 4.16Å; Y69-F86 AromaticContact CD1-CG 3.57Å; Y69-F86 HydrophobicContact CD1-CG 3.57Å; Y69-F86 HydrophobicContact CD1-CZ 4.48Å; Y69-F86 HydrophobicContact CD2-CB 3.71Å; Y69-F86 HydrophobicContact CD2-CD1 4.35Å; Y69-F86 HydrophobicContact CD2-CG 4.11Å; Y69-F86 HydrophobicContact CE1-CB 4.14Å; Y69-F86 AromaticContact CE1-CD1 3.31Å; Y69-F86 HydrophobicContact CE1-CD1 3.31Å; Y69-F86 AromaticContact CE1-CD2 3.78Å; Y69-F86 HydrophobicContact CE1-CD2 3.78Å; Y69-F86 AromaticContact CE1-CE1 3.49Å; Y69-F86 HydrophobicContact CE1-CE1 3.49Å; Y69-F86 VanDerWaalsContact CE1-CE1 3.49Å; Y69-F86 AromaticContact CE1-CE2 3.94Å; Y69-F86 HydrophobicContact CE1-CE2 3.94Å; Y69-F86 AromaticContact CE1-CG 3.45Å; Y69-F86 HydrophobicContact CE1-CG 3.45Å; Y69-F86 VanDerWaalsContact CE1-CG 3.45Å; Y69-F86 AromaticContact CE1-CZ 3.8Å; Y69-F86 HydrophobicContact CE1-CZ 3.8Å; Y69-F86 HydrophobicContact CE2-CB 3.94Å; Y69-F86 AromaticContact CE2-CD1 3.77Å; Y69-F86 HydrophobicContact CE2-CD1 3.77Å; Y69-F86 HydrophobicContact CE2-CG 4.01Å; Y69-F86 HydrophobicContact CG-CB 3.7Å; Y69-F86 HydrophobicContact CG-CD1 4.43Å; Y69-F86 HydrophobicContact CG-CD2 4.32Å; Y69-F86 AromaticContact CG-CG 3.9Å; Y69-F86 HydrophobicContact CG-CG 3.9Å; Y69-F86 AromaticContact CZ-CD1 3.19Å; Y69-F86 AromaticContact CZ-CE1 3.6Å; Y69-F86 AromaticContact CZ-CG 3.67Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.47Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.39Å
70	I	96.1	Very high	97.2	Very high	62 Å²	62	74.6 Å²	74.6	32%	0.318	43%	0.428	S	S	.	.	S	Bend	trans	-124.4	-52.1	175.9	-63.8	180	0	0	0	109	Y51 K68	Y51-I70 HydrophobicContact CD1-CB 4.11Å; Y51-I70 HydrophobicContact CD1-CG1 4.3Å; Y51-I70 HydrophobicContact CD1-CG2 3.74Å; Y51-I70 HydrophobicContact CE1-CB 4.31Å; Y51-I70 HydrophobicContact CE1-CG2 3.45Å; Y51-I70 VanDerWaalsContact CE1-CG2 3.45Å; Y51-I70 HydrophobicContact CG-CG1 4.37Å; Y51-I70 HydrophobicContact CG-CG2 4.41Å; K68-I70 HydrophobicContact CD-CD1 3.87Å; K68-I70 HydrophobicContact CD-CG1 4.2Å; K68-I70 HydrophobicContact CG-CG1 4.42Å
71	T	94.9	Very high	97.2	Very high	118 Å²	118	72.8 Å²	72.8	72%	0.724	41%	0.409	S	S	*	.	S	Bend	trans	-164.9	168.9	177.2	-173.2	0	0	0	0	109.2
72	G	94.3	Very high	97.2	Very high	51 Å²	51	68.1 Å²	68.1	53%	0.526	39%	0.387	S	S	.	.	S	Bend	trans	88.7	-136.9	178.1	0	0	0	0	0	112.7	T74	G72-T74 PolarHBondContact O-N 2.81Å
73	D	95.8	Very high	97.3	Very high	139 Å²	139	67.6 Å²	67.6	74%	0.743	38%	0.375	S	S	*	.			trans	-56.7	132.3	-174.7	-67.1	-26.4	0	0	0	111.7	Y69	Y69-D73 WeakPolarHBondContact CE2-O 3.44Å
74	T	96	Very high	97.3	Very high	65 Å²	65	63.6 Å²	63.6	40%	0.399	36%	0.355	S	S	.	.	S	Bend	trans	-72.5	-32.3	-178.4	53.5	0	0	0	0	111.8	G72 E85 F86	G72-T74 PolarHBondContact O-N 2.81Å; T74-E85 CarbonylContact O-C 3.59Å; T74-E85 VanDerWaalsContact O-CA 3.32Å; T74-E85 WeakPolarHBondContact O-CA 3.04Å; T74-F86 WeakPolarHBondContact CB-O 3.4Å; T74-F86 HydrophobicContact CG2-CD1 4.4Å; T74-F86 PolarHBondContact O-N 2.82Å
75	V	97.8	Very high	97.3	Very high	69 Å²	69	63 Å²	63	42%	0.418	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.1	175.5	-178.1	0	0	0	0	108.9	A84 E85	V75-A84 WeakPolarHBondContact CA-O 3.34Å; V75-E85 HydrophobicContact CG2-CB 4.45Å; V75-E85 HydrophobicContact CG2-CG 3.98Å
76	V	98.1	Very high	97.2	Very high	22 Å²	22	59.3 Å²	59.3	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.8	179.5	-61.4	0	0	0	0	110.3	L67 Y69 E83 A84 F93	L67-V76 HydrophobicContact CB-CG2 4.49Å; L67-V76 HydrophobicContact CD1-CG2 3.89Å; L67-V76 HydrophobicContact CD2-CG2 4.38Å; L67-V76 HydrophobicContact CG-CG2 4.5Å; Y69-V76 HydrophobicContact CD2-CG1 4.19Å; V76-E83 CarbonylContact O-C 3.48Å; V76-E83 WeakPolarHBondContact O-CA 3.33Å; V76-E83 WeakPolarHBondContact O-CB 3.27Å; V76-A84 HydrophobicContact CG2-CB 4Å; V76-A84 WeakPolarHBondContact CG2-O 2.97Å; V76-A84 PolarHBondContact N-O 3.22Å; V76-A84 PolarHBondContact O-N 2.96Å; V76-F93 HydrophobicContact CG2-CE2 3.67Å; V76-F93 HydrophobicContact CG2-CZ 3.65Å
77	K	98.1	Very high	97.2	Very high	177 Å²	177	64.2 Å²	64.2	77%	0.77	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.9	174.5	-65.6	-176.8	178.6	-179.5	0	109.8
78	G	97.2	Very high	96.9	Very high	26 Å²	26	71.8 Å²	71.8	27%	0.268	39%	0.387	S	S	.	.			trans	-107.9	-165.8	178.2	0	0	0	0	0	113.6	L66 F82	L66-G78 VanDerWaalsContact O-CA 3.28Å; L66-G78 WeakPolarHBondContact O-CA 3.16Å; G78-F82 WeakPolarHBondContact CA-O 3.13Å; G78-F82 PolarHBondContact N-O 2.02Å
79	T	97	Very high	96.7	Very high	68 Å²	68	72 Å²	72	42%	0.417	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-75.2	160.3	173.1	63.1	0	0	0	0	111.2	L66 G81 F82	L66-T79 PolarHBondContact O-N 3.3Å; L66-T79 VanDerWaalsContact O-N 3.17Å; T79-G81 PolarHBondContact O-N 2.72Å; T79-F82 WeakPolarHBondContact O-CD2 3.46Å; T79-F82 PolarHBondContact O-N 3.04Å; T79-F82 VanDerWaalsContact O-N 3.08Å
80	K	95.2	Very high	96.5	Very high	111 Å²	111	75.6 Å²	75.6	48%	0.483	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	54.3	29.1	172.8	-55.1	-179.1	-177.9	179.1	0	115.3	Y58 F82 K97	Y58-K80 VanDerWaalsContact CE2-NZ 3.31Å; Y58-K80 PolarHBondContact OH-NZ 2.94Å; K80-F82 VanDerWaalsContact C-N 3.27Å; K80-F82 HydrophobicContact CB-CD2 4.06Å; K80-F82 HydrophobicContact CB-CE2 4.18Å; K80-F82 PolarHBondContact O-N 2.94Å; K80-K97 VanDerWaalsContact O-CE 3.31Å; K80-K97 WeakPolarHBondContact O-CE 3.31Å; K80-K97 PolarHBondContact O-NZ 3.31Å
81	G	97.4	Very high	96.5	Very high	57 Å²	57	74.6 Å²	74.6	59%	0.588	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	74.4	12.8	178.2	0	0	0	0	0	114.6	T79	T79-G81 PolarHBondContact O-N 2.72Å
82	F	98.5	Very high	96.7	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.009	39%	0.39	C	S	.	.			trans	-76.7	146.1	169	-72.4	-81.8	0	0	0	110.6	L38 L66 L67 G78 T79 K80 L95 K96 K97 D104 Y108	L38-F82 HydrophobicContact CD2-CE1 3.75Å; L66-F82 HydrophobicContact CD1-CD2 4.33Å; L66-F82 HydrophobicContact CD1-CG 4.3Å; L66-F82 HydrophobicContact CD2-CD2 3.97Å; L66-F82 HydrophobicContact CD2-CE2 4.38Å; L67-F82 HydrophobicContact CD2-CB 4.36Å; G78-F82 WeakPolarHBondContact CA-O 3.13Å; G78-F82 PolarHBondContact N-O 2.02Å; T79-F82 WeakPolarHBondContact O-CD2 3.46Å; T79-F82 PolarHBondContact O-N 3.04Å; T79-F82 VanDerWaalsContact O-N 3.08Å; K80-F82 VanDerWaalsContact C-N 3.27Å; K80-F82 HydrophobicContact CB-CD2 4.06Å; K80-F82 HydrophobicContact CB-CE2 4.18Å; K80-F82 PolarHBondContact O-N 2.94Å; F82-L95 HydrophobicContact CB-CD1 4.05Å; F82-L95 HydrophobicContact CD1-CD1 4.16Å; F82-L95 HydrophobicContact CD1-CD2 3.73Å; F82-L95 HydrophobicContact CD1-CG 3.83Å; F82-L95 HydrophobicContact CE1-CD2 4.06Å; F82-L95 HydrophobicContact CG-CD1 4.46Å; F82-K96 WeakPolarHBondContact CA-O 3.24Å; F82-K97 HydrophobicContact CD1-CB 3.74Å; F82-K97 HydrophobicContact CD1-CD 3.99Å; F82-K97 HydrophobicContact CD1-CG 4.44Å; F82-K97 HydrophobicContact CD2-CD 4.14Å; F82-K97 HydrophobicContact CE1-CB 3.82Å; F82-K97 HydrophobicContact CE1-CD 3.68Å; F82-K97 HydrophobicContact CE1-CG 4.4Å; F82-K97 HydrophobicContact CE2-CD 3.82Å; F82-K97 HydrophobicContact CG-CB 4.46Å; F82-K97 HydrophobicContact CG-CD 4.21Å; F82-K97 HydrophobicContact CZ-CD 3.56Å; F82-D104 HydrophobicContact CZ-CB 4.25Å; F82-Y108 AromaticContact CE1-CE1 3.81Å; F82-Y108 HydrophobicContact CE1-CE1 3.81Å; F82-Y108 HydrophobicContact CE2-CE1 4.48Å; F82-Y108 AromaticContact CZ-CE1 3.73Å; F82-Y108 HydrophobicContact CZ-CE1 3.73Å; F82-Y108 AromaticContact CZ-CZ 3.91Å; F82-Y108 VanDerWaalsContact CZ-OH 3.29Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.08Å
83	E	98.6	Very high	96.9	Very high	78 Å²	78	67.1 Å²	67.1	36%	0.364	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.1	170.3	62.6	-179.7	-157.7	0	0	110	V76 L95 K96	V76-E83 CarbonylContact O-C 3.48Å; V76-E83 WeakPolarHBondContact O-CA 3.33Å; V76-E83 WeakPolarHBondContact O-CB 3.27Å; E83-L95 CarbonylContact O-C 3.52Å; E83-K96 HydrophobicContact CG-CB 4.13Å; E83-K96 PolarHBondContact N-O 2.95Å; E83-K96 PolarHBondContact O-N 2.77Å
84	A	98.5	Very high	97	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.7	171.4	0	0	0	0	0	110	L67 V75 V76 F93 N94 L95	L67-A84 HydrophobicContact CD1-CB 3.59Å; L67-A84 HydrophobicContact CD2-CB 4.08Å; V75-A84 WeakPolarHBondContact CA-O 3.34Å; V76-A84 HydrophobicContact CG2-CB 4Å; V76-A84 WeakPolarHBondContact CG2-O 2.97Å; V76-A84 PolarHBondContact N-O 3.22Å; V76-A84 PolarHBondContact O-N 2.96Å; A84-F93 HydrophobicContact CB-CD1 4.49Å; A84-F93 HydrophobicContact CB-CD2 3.94Å; A84-F93 HydrophobicContact CB-CE1 4.17Å; A84-F93 HydrophobicContact CB-CE2 3.54Å; A84-F93 HydrophobicContact CB-CG 4.41Å; A84-F93 HydrophobicContact CB-CZ 3.69Å; A84-N94 VanDerWaalsContact CA-O 3.27Å; A84-N94 WeakPolarHBondContact CA-O 3.29Å; A84-N94 WeakPolarHBondContact CB-O 3.46Å; A84-L95 HydrophobicContact CB-CD1 4.38Å
85	E	97.7	Very high	97.1	Very high	47 Å²	47	58.7 Å²	58.7	22%	0.22	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.6	177.7	-172.1	-174	175.9	0	0	110.2	T74 V75 R87	T74-E85 CarbonylContact O-C 3.59Å; T74-E85 VanDerWaalsContact O-CA 3.32Å; T74-E85 WeakPolarHBondContact O-CA 3.04Å; V75-E85 HydrophobicContact CG2-CB 4.45Å; V75-E85 HydrophobicContact CG2-CG 3.98Å; E85-R87 HydrophobicContact CG-CG 4.03Å; E85-R87 PolarHBondContact O-N 2.82Å; E85-R87 IonicContact OE1-CZ 2.72Å; E85-R87 VanDerWaalsContact OE1-CZ 3.28Å; E85-R87 IonicContact OE1-NE 2.77Å; E85-R87 PolarHBondContact OE1-NE 2.74Å; E85-R87 IonicContact OE1-NH2 2.97Å; E85-R87 PolarHBondContact OE1-NH2 2.75Å; E85-R87 IonicContact OE2-CZ 3.7Å; E85-R87 VanDerWaalsContact OE2-CZ 3.23Å; E85-R87 IonicContact OE2-NE 3.85Å; E85-R87 PolarHBondContact OE2-NE 3.09Å; E85-R87 IonicContact OE2-NH2 2.73Å; E85-R87 PolarHBondContact OE2-NH2 2.81Å
86	F	97.6	Very high	97.2	Very high	16 Å²	16	58.3 Å²	58.3	7%	0.07	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	116.6	171.2	174	-109.5	0	0	0	110.4	Y44 P50 L52 Y69 T74 K88 F93	Y44-F86 HydrophobicContact CE1-CD2 4.41Å; Y44-F86 AromaticContact CE1-CE2 3.78Å; Y44-F86 HydrophobicContact CE1-CE2 3.78Å; Y44-F86 AromaticContact CZ-CE2 3.91Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.31Å; P50-F86 HydrophobicContact CG-CE2 3.7Å; P50-F86 HydrophobicContact CG-CZ 4.13Å; L52-F86 HydrophobicContact CD1-CD2 3.74Å; L52-F86 HydrophobicContact CD1-CE2 3.93Å; Y69-F86 HydrophobicContact CD1-CB 3.93Å; Y69-F86 AromaticContact CD1-CD1 3.96Å; Y69-F86 HydrophobicContact CD1-CD1 3.96Å; Y69-F86 AromaticContact CD1-CD2 3.71Å; Y69-F86 HydrophobicContact CD1-CD2 3.71Å; Y69-F86 HydrophobicContact CD1-CE1 4.38Å; Y69-F86 HydrophobicContact CD1-CE2 4.16Å; Y69-F86 AromaticContact CD1-CG 3.57Å; Y69-F86 HydrophobicContact CD1-CG 3.57Å; Y69-F86 HydrophobicContact CD1-CZ 4.48Å; Y69-F86 HydrophobicContact CD2-CB 3.71Å; Y69-F86 HydrophobicContact CD2-CD1 4.35Å; Y69-F86 HydrophobicContact CD2-CG 4.11Å; Y69-F86 HydrophobicContact CE1-CB 4.14Å; Y69-F86 AromaticContact CE1-CD1 3.31Å; Y69-F86 HydrophobicContact CE1-CD1 3.31Å; Y69-F86 AromaticContact CE1-CD2 3.78Å; Y69-F86 HydrophobicContact CE1-CD2 3.78Å; Y69-F86 AromaticContact CE1-CE1 3.49Å; Y69-F86 HydrophobicContact CE1-CE1 3.49Å; Y69-F86 VanDerWaalsContact CE1-CE1 3.49Å; Y69-F86 AromaticContact CE1-CE2 3.94Å; Y69-F86 HydrophobicContact CE1-CE2 3.94Å; Y69-F86 AromaticContact CE1-CG 3.45Å; Y69-F86 HydrophobicContact CE1-CG 3.45Å; Y69-F86 VanDerWaalsContact CE1-CG 3.45Å; Y69-F86 AromaticContact CE1-CZ 3.8Å; Y69-F86 HydrophobicContact CE1-CZ 3.8Å; Y69-F86 HydrophobicContact CE2-CB 3.94Å; Y69-F86 AromaticContact CE2-CD1 3.77Å; Y69-F86 HydrophobicContact CE2-CD1 3.77Å; Y69-F86 HydrophobicContact CE2-CG 4.01Å; Y69-F86 HydrophobicContact CG-CB 3.7Å; Y69-F86 HydrophobicContact CG-CD1 4.43Å; Y69-F86 HydrophobicContact CG-CD2 4.32Å; Y69-F86 AromaticContact CG-CG 3.9Å; Y69-F86 HydrophobicContact CG-CG 3.9Å; Y69-F86 AromaticContact CZ-CD1 3.19Å; Y69-F86 AromaticContact CZ-CE1 3.6Å; Y69-F86 AromaticContact CZ-CG 3.67Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.47Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.39Å; T74-F86 WeakPolarHBondContact CB-O 3.4Å; T74-F86 HydrophobicContact CG2-CD1 4.4Å; T74-F86 PolarHBondContact O-N 2.82Å; F86-K88 HydrophobicContact CE1-CB 3.89Å; F86-K88 HydrophobicContact CZ-CB 3.85Å; F86-K88 HydrophobicContact CZ-CG 4.35Å; F86-F93 HydrophobicContact CB-CD2 4.05Å; F86-F93 HydrophobicContact CB-CE2 4.35Å
87	R	96.6	Very high	97.2	Very high	107 Å²	107	58.2 Å²	58.2	40%	0.404	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	93.8	178.6	-66	-179.1	171.5	-112.1	-5.4	110.2	E85 S89 N90 S91 S92	E85-R87 HydrophobicContact CG-CG 4.03Å; E85-R87 PolarHBondContact O-N 2.82Å; E85-R87 IonicContact OE1-CZ 2.72Å; E85-R87 VanDerWaalsContact OE1-CZ 3.28Å; E85-R87 IonicContact OE1-NE 2.77Å; E85-R87 PolarHBondContact OE1-NE 2.74Å; E85-R87 IonicContact OE1-NH2 2.97Å; E85-R87 PolarHBondContact OE1-NH2 2.75Å; E85-R87 IonicContact OE2-CZ 3.7Å; E85-R87 VanDerWaalsContact OE2-CZ 3.23Å; E85-R87 IonicContact OE2-NE 3.85Å; E85-R87 PolarHBondContact OE2-NE 3.09Å; E85-R87 IonicContact OE2-NH2 2.73Å; E85-R87 PolarHBondContact OE2-NH2 2.81Å; R87-S89 VanDerWaalsContact C-N 3.28Å; R87-S89 PolarHBondContact O-N 2.92Å; R87-N90 PolarHBondContact O-N 2.85Å; R87-S91 PolarHBondContact O-N 3.39Å; R87-S91 VanDerWaalsContact O-N 3.08Å; R87-S92 PolarHBondContact N-O 2.83Å; R87-S92 PolarHBondContact O-N 3.26Å; R87-S92 VanDerWaalsContact O-N 3.09Å
88	K	93.7	Very high	97.1	Very high	162 Å²	162	53.7 Å²	53.7	70%	0.704	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-57.5	-36.7	179.1	-172.1	175.2	-179.4	177.4	0	113.4	F86 N90 S91	F86-K88 HydrophobicContact CE1-CB 3.89Å; F86-K88 HydrophobicContact CZ-CB 3.85Å; F86-K88 HydrophobicContact CZ-CG 4.35Å; K88-N90 PolarHBondContact O-N 2.81Å; K88-S91 PolarHBondContact O-N 3.11Å
89	S	93.8	Very high	97.2	Very high	105 Å²	105	55.4 Å²	55.4	73%	0.734	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.2	-29.3	-178.9	61.5	0	0	0	0	113.3	R87	R87-S89 VanDerWaalsContact C-N 3.28Å; R87-S89 PolarHBondContact O-N 2.92Å
90	N	94.1	Very high	97.2	Very high	103 Å²	103	52.4 Å²	52.4	55%	0.551	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-111.3	5.1	-176.4	-61.7	11.4	0	0	0	111.5	R87 K88 S92	R87-N90 PolarHBondContact O-N 2.85Å; K88-N90 PolarHBondContact O-N 2.81Å; N90-S92 PolarHBondContact O-N 3.02Å
91	S	96.5	Very high	97.3	Very high	42 Å²	42	51.1 Å²	51.1	29%	0.294	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.1	50.3	-168.3	-53.7	0	0	0	0	112.5	S43 Y44 R87 K88	S43-S91 CarbonylContact C-O 3.52Å; S43-S91 WeakPolarHBondContact CA-O 3.29Å; Y44-S91 VanDerWaalsContact CD1-C 3.41Å; Y44-S91 WeakPolarHBondContact CD1-O 3.39Å; Y44-S91 VanDerWaalsContact CE1-CA 3.41Å; Y44-S91 PolarHBondContact N-O 3.15Å; Y44-S91 WeakPolarHBondContact O-CB 3.29Å; R87-S91 PolarHBondContact O-N 3.39Å; R87-S91 VanDerWaalsContact O-N 3.08Å; K88-S91 PolarHBondContact O-N 3.11Å
92	S	97.7	Very high	97.2	Very high	12 Å²	12	57.4 Å²	57.4	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154	-173	76.6	0	0	0	0	113.5	C42 R87 N90	C42-S92 CarbonylContact O-C 3.54Å; C42-S92 VanDerWaalsContact O-CA 3.28Å; C42-S92 WeakPolarHBondContact O-CA 3.18Å; C42-S92 WeakPolarHBondContact O-CB 3.5Å; R87-S92 PolarHBondContact N-O 2.83Å; R87-S92 PolarHBondContact O-N 3.26Å; R87-S92 VanDerWaalsContact O-N 3.09Å; N90-S92 PolarHBondContact O-N 3.02Å
93	F	98.3	Very high	97.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	65.6	177.7	-171.9	-125.2	0	0	0	110	C42 L52 W54 L67 V76 A84 F86	C42-F93 PolarHBondContact O-N 3.5Å; L52-F93 HydrophobicContact CB-CB 4.38Å; L52-F93 HydrophobicContact CB-CD1 3.52Å; L52-F93 HydrophobicContact CB-CE1 3.79Å; L52-F93 HydrophobicContact CB-CG 3.95Å; L52-F93 HydrophobicContact CB-CZ 4.45Å; L52-F93 HydrophobicContact CD1-CB 3.74Å; L52-F93 HydrophobicContact CD1-CD1 4.44Å; L52-F93 HydrophobicContact CD1-CG 4.06Å; W54-F93 AromaticContact CD1-CD1 3.5Å; W54-F93 AromaticContact CD1-CE1 3.41Å; W54-F93 VanDerWaalsContact CD1-CE1 3.41Å; W54-F93 AromaticContact NE1-CD1 3.49Å; W54-F93 AromaticContact NE1-CE1 3.91Å; W54-F93 PolarHBondContact NE1-O 2.82Å; L67-F93 HydrophobicContact CD1-CE1 3.76Å; L67-F93 HydrophobicContact CD1-CZ 3.56Å; V76-F93 HydrophobicContact CG2-CE2 3.67Å; V76-F93 HydrophobicContact CG2-CZ 3.65Å; A84-F93 HydrophobicContact CB-CD1 4.49Å; A84-F93 HydrophobicContact CB-CD2 3.94Å; A84-F93 HydrophobicContact CB-CE1 4.17Å; A84-F93 HydrophobicContact CB-CE2 3.54Å; A84-F93 HydrophobicContact CB-CG 4.41Å; A84-F93 HydrophobicContact CB-CZ 3.69Å; F86-F93 HydrophobicContact CB-CD2 4.05Å; F86-F93 HydrophobicContact CB-CE2 4.35Å
94	N	98.4	Very high	97	Very high	27 Å²	27	57 Å²	57	14%	0.144	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.8	-174.2	-62.7	-6.4	0	0	0	110.6	E39 L40 R41 C42 A84	E39-N94 HydrophobicContact CG-CB 4.21Å; E39-N94 PolarHBondContact OE1-ND2 2.8Å; L40-N94 CarbonylContact O-C 3.59Å; L40-N94 VanDerWaalsContact O-CA 3.24Å; L40-N94 WeakPolarHBondContact O-CA 3.18Å; L40-N94 WeakPolarHBondContact O-CB 3.44Å; R41-N94 WeakPolarHBondContact CA-OD1 3.29Å; C42-N94 PolarHBondContact N-OD1 2.86Å; C42-N94 PolarHBondContact O-OD1 2.85Å; A84-N94 VanDerWaalsContact CA-O 3.27Å; A84-N94 WeakPolarHBondContact CA-O 3.29Å; A84-N94 WeakPolarHBondContact CB-O 3.46Å
95	L	98.7	Very high	97	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.9	173.1	-169.2	70.1	0	0	0	109.4	E39 L40 W54 L66 L67 F82 E83 A84 Y108	E39-L95 CarbonylContact C-O 3.53Å; E39-L95 WeakPolarHBondContact CA-O 3.34Å; L40-L95 HydrophobicContact CB-CB 4.26Å; L40-L95 HydrophobicContact CD1-CD2 4.27Å; L40-L95 PolarHBondContact N-O 2.91Å; L40-L95 PolarHBondContact O-N 2.81Å; W54-L95 HydrophobicContact CB-CD1 4.02Å; W54-L95 HydrophobicContact CD2-CB 3.77Å; W54-L95 HydrophobicContact CD2-CD1 4.3Å; W54-L95 HydrophobicContact CD2-CD2 4.07Å; W54-L95 HydrophobicContact CD2-CG 4.28Å; W54-L95 HydrophobicContact CE3-CB 4.28Å; W54-L95 HydrophobicContact CE3-CD2 4.05Å; W54-L95 HydrophobicContact CG-CB 4.12Å; W54-L95 HydrophobicContact CG-CD1 3.81Å; W54-L95 HydrophobicContact CG-CD2 4.29Å; W54-L95 HydrophobicContact CG-CG 4.3Å; W54-L95 HydrophobicContact CH2-CB 4.3Å; W54-L95 HydrophobicContact CZ2-CB 3.79Å; L66-L95 HydrophobicContact CD1-CD1 4.48Å; L66-L95 HydrophobicContact CD1-CD2 3.76Å; L67-L95 HydrophobicContact CD1-CD1 4.23Å; L67-L95 HydrophobicContact CD2-CD1 3.72Å; L67-L95 HydrophobicContact CG-CD1 4.09Å; F82-L95 HydrophobicContact CB-CD1 4.05Å; F82-L95 HydrophobicContact CD1-CD1 4.16Å; F82-L95 HydrophobicContact CD1-CD2 3.73Å; F82-L95 HydrophobicContact CD1-CG 3.83Å; F82-L95 HydrophobicContact CE1-CD2 4.06Å; F82-L95 HydrophobicContact CG-CD1 4.46Å; E83-L95 CarbonylContact O-C 3.52Å; A84-L95 HydrophobicContact CB-CD1 4.38Å; L95-Y108 HydrophobicContact CD2-CD1 3.66Å; L95-Y108 HydrophobicContact CD2-CE1 4.06Å
96	K	98.6	Very high	97	Very high	60 Å²	60	60.3 Å²	60.3	26%	0.261	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.7	-179.6	-65.9	178.2	179.2	175.3	0	110.9	L38 E39 F82 E83	L38-K96 VanDerWaalsContact O-CA 3.29Å; L38-K96 WeakPolarHBondContact O-CA 3.19Å; E39-K96 HydrophobicContact CB-CG 4.41Å; E39-K96 HydrophobicContact CG-CG 4.18Å; F82-K96 WeakPolarHBondContact CA-O 3.24Å; E83-K96 HydrophobicContact CG-CB 4.13Å; E83-K96 PolarHBondContact N-O 2.95Å; E83-K96 PolarHBondContact O-N 2.77Å
97	K	98.4	Very high	97	Very high	21 Å²	21	66 Å²	66	9%	0.091	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	136.3	169.2	179.6	168	176.5	169	0	109.9	L38 K80 F82 P99 D104	L38-K97 HydrophobicContact CB-CB 4.31Å; L38-K97 HydrophobicContact CD2-CB 4.28Å; L38-K97 PolarHBondContact N-O 2.9Å; L38-K97 PolarHBondContact O-N 3.1Å; L38-K97 VanDerWaalsContact O-N 3.09Å; K80-K97 VanDerWaalsContact O-CE 3.31Å; K80-K97 WeakPolarHBondContact O-CE 3.31Å; K80-K97 PolarHBondContact O-NZ 3.31Å; F82-K97 HydrophobicContact CD1-CB 3.74Å; F82-K97 HydrophobicContact CD1-CD 3.99Å; F82-K97 HydrophobicContact CD1-CG 4.44Å; F82-K97 HydrophobicContact CD2-CD 4.14Å; F82-K97 HydrophobicContact CE1-CB 3.82Å; F82-K97 HydrophobicContact CE1-CD 3.68Å; F82-K97 HydrophobicContact CE1-CG 4.4Å; F82-K97 HydrophobicContact CE2-CD 3.82Å; F82-K97 HydrophobicContact CG-CB 4.46Å; F82-K97 HydrophobicContact CG-CD 4.21Å; F82-K97 HydrophobicContact CZ-CD 3.56Å; K97-P99 WeakPolarHBondContact CE-O 3.48Å; K97-D104 WeakPolarHBondContact CD-OD2 3.21Å; K97-D104 WeakPolarHBondContact CE-OD2 3.28Å; K97-D104 IonicContact NZ-OD1 3.33Å; K97-D104 PolarHBondContact NZ-OD1 3.08Å; K97-D104 IonicContact NZ-OD2 2.72Å; K97-D104 PolarHBondContact NZ-OD2 3.05Å
98	S	97.3	Very high	97.1	Very high	81 Å²	81	62.2 Å²	62.2	57%	0.566	33%	0.334	S	S	*	.	S	Bend	trans	-147.7	123.1	173.8	-168.7	0	0	0	0	110.1	S37	S37-S98 WeakPolarHBondContact OG-CB 3.35Å; S37-S98 PolarHBondContact OG-OG 2.72Å
99	P	97.9	Very high	97.4	Very high	63 Å²	63	58.1 Å²	58.1	41%	0.409	32%	0.317	S	S	.	.	S	Bend	cis	-75.8	152	-6.3	31.1	-33.8	0	0	0	112.8	K97	K97-P99 WeakPolarHBondContact CE-O 3.48Å
100	A	97.4	Very high	97.6	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.033	29%	0.285	C	S	.	.			trans	-80.4	140.8	165.7	0	0	0	0	0	111	L32 G35 A36 L38	L32-A100 HydrophobicContact CD1-CB 3.56Å; G35-A100 PolarHBondContact N-O 3.43Å; A36-A100 WeakPolarHBondContact O-CB 3.16Å; A36-A100 PolarHBondContact O-N 2.9Å; L38-A100 HydrophobicContact CB-CB 4.1Å
101	H	96.9	Very high	97.8	Very high	85 Å²	85	50.2 Å²	50.2	39%	0.394	27%	0.272	S	S	.	.			trans	-113.1	159.1	177.7	-73.7	-73.5	0	0	0	111.9	E34 S103 D104	E34-H101 IonicContact OE1-ND1 3.1Å; E34-H101 PolarHBondContact OE1-ND1 2.92Å; H101-S103 PolarHBondContact O-N 3.28Å; H101-S103 VanDerWaalsContact O-N 3.11Å; H101-D104 PolarHBondContact N-OD2 3.21Å; H101-D104 VanDerWaalsContact O-CB 3.29Å; H101-D104 WeakPolarHBondContact O-CB 3.28Å; H101-D104 PolarHBondContact O-N 3.27Å
102	W	95.9	Very high	97.7	Very high	188 Å²	188	49.6 Å²	49.6	71%	0.712	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32.9	175.4	64.7	-97	0	0	0	112.5	E34 D104 S105	E34-W102 PolarHBondContact OE1-N 2.81Å; W102-D104 PolarHBondContact O-N 3.43Å; W102-S105 VanDerWaalsContact O-CB 3.32Å; W102-S105 WeakPolarHBondContact O-CB 3.48Å; W102-S105 PolarHBondContact O-N 2.78Å; W102-S105 VanDerWaalsContact O-N 3.15Å; W102-S105 PolarHBondContact O-OG 3.14Å
103	S	96.1	Very high	97.3	Very high	59 Å²	59	55.5 Å²	55.5	41%	0.413	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-71	-8.4	179	60.5	0	0	0	0	113.8	Y58 H101 S105	Y58-S103 VanDerWaalsContact CE1-O 3.24Å; Y58-S103 WeakPolarHBondContact CE1-O 3.33Å; H101-S103 PolarHBondContact O-N 3.28Å; H101-S103 VanDerWaalsContact O-N 3.11Å; S103-S105 VanDerWaalsContact C-N 3.3Å
104	D	97.3	Very high	97.2	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.064	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-85.9	0.3	172.3	-60.4	-46.5	0	0	0	112.6	F82 K97 H101 W102 A106 Y108	F82-D104 HydrophobicContact CZ-CB 4.25Å; K97-D104 WeakPolarHBondContact CD-OD2 3.21Å; K97-D104 WeakPolarHBondContact CE-OD2 3.28Å; K97-D104 IonicContact NZ-OD1 3.33Å; K97-D104 PolarHBondContact NZ-OD1 3.08Å; K97-D104 IonicContact NZ-OD2 2.72Å; K97-D104 PolarHBondContact NZ-OD2 3.05Å; H101-D104 PolarHBondContact N-OD2 3.21Å; H101-D104 VanDerWaalsContact O-CB 3.29Å; H101-D104 WeakPolarHBondContact O-CB 3.28Å; H101-D104 PolarHBondContact O-N 3.27Å; W102-D104 PolarHBondContact O-N 3.43Å; D104-A106 PolarHBondContact O-N 3.09Å; D104-Y108 WeakPolarHBondContact O-CE2 3.32Å; D104-Y108 PolarHBondContact O-OH 3.28Å
105	S	97.8	Very high	97.1	Very high	87 Å²	87	59.9 Å²	59.9	61%	0.608	31%	0.314	S	S	*	.			trans	-67.1	105.5	177	-58.6	0	0	0	0	111.1	W102 S103	W102-S105 VanDerWaalsContact O-CB 3.32Å; W102-S105 WeakPolarHBondContact O-CB 3.48Å; W102-S105 PolarHBondContact O-N 2.78Å; W102-S105 VanDerWaalsContact O-N 3.15Å; W102-S105 PolarHBondContact O-OG 3.14Å; S103-S105 VanDerWaalsContact C-N 3.3Å
106	A	98	Very high	97.1	Very high	32 Å²	32	63.2 Å²	63.2	26%	0.264	33%	0.331	S	S	.	.	S	Bend	trans	-162.5	176.9	-173.7	0	0	0	0	0	112	V56 Y58 D104 Y108	V56-A106 HydrophobicContact CG2-CB 3.43Å; V56-A106 VanDerWaalsContact CG2-CB 3.43Å; Y58-A106 HydrophobicContact CD1-CB 3.63Å; Y58-A106 HydrophobicContact CE1-CB 3.79Å; Y58-A106 HydrophobicContact CG-CB 4.27Å; D104-A106 PolarHBondContact O-N 3.09Å; A106-Y108 HydrophobicContact CB-CE2 3.9Å; A106-Y108 WeakPolarHBondContact O-CD2 3.41Å; A106-Y108 WeakPolarHBondContact O-CE2 3.47Å
107	K	98.4	Very high	97	Very high	135 Å²	135	63.4 Å²	63.4	59%	0.587	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.5	165.3	-63.9	-179.1	-177.7	178.7	0	109.6	V56 Q57 F109	V56-K107 CarbonylContact C-O 3.51Å; V56-K107 WeakPolarHBondContact CA-O 3.38Å; Q57-K107 HydrophobicContact CB-CB 4.35Å; Q57-K107 PolarHBondContact N-O 2.94Å; Q57-K107 PolarHBondContact O-N 2.86Å; K107-F109 HydrophobicContact CB-CE2 3.75Å; K107-F109 HydrophobicContact CB-CZ 3.94Å; K107-F109 HydrophobicContact CD-CZ 4.22Å
108	Y	98.6	Very high	96.9	Very high	28 Å²	28	66.1 Å²	66.1	11%	0.11	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.4	-178.9	-66.5	-95.9	0	0	0	110.1	Q25 L40 Y55 V56 L66 F82 L95 D104 A106	Q25-Y108 PolarHBondContact NE2-O 2.87Å; L40-Y108 VanDerWaalsContact CD1-CB 3.43Å; L40-Y108 HydrophobicContact CD1-CD1 3.96Å; L40-Y108 HydrophobicContact CD1-CD2 3.58Å; L40-Y108 HydrophobicContact CD1-CE2 4.32Å; L40-Y108 HydrophobicContact CD1-CG 3.38Å; Y55-Y108 CarbonylContact O-C 3.52Å; Y55-Y108 WeakPolarHBondContact O-CA 3.28Å; V56-Y108 HydrophobicContact CB-CD1 4.05Å; V56-Y108 HydrophobicContact CB-CE1 3.96Å; V56-Y108 HydrophobicContact CG2-CD1 3.98Å; V56-Y108 HydrophobicContact CG2-CE1 3.61Å; V56-Y108 HydrophobicContact CG2-CE2 4.39Å; L66-Y108 HydrophobicContact CD1-CD1 3.89Å; L66-Y108 HydrophobicContact CD1-CE1 3.91Å; F82-Y108 AromaticContact CE1-CE1 3.81Å; F82-Y108 HydrophobicContact CE1-CE1 3.81Å; F82-Y108 HydrophobicContact CE2-CE1 4.48Å; F82-Y108 AromaticContact CZ-CE1 3.73Å; F82-Y108 HydrophobicContact CZ-CE1 3.73Å; F82-Y108 AromaticContact CZ-CZ 3.91Å; F82-Y108 VanDerWaalsContact CZ-OH 3.29Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.08Å; L95-Y108 HydrophobicContact CD2-CD1 3.66Å; L95-Y108 HydrophobicContact CD2-CE1 4.06Å; D104-Y108 WeakPolarHBondContact O-CE2 3.32Å; D104-Y108 PolarHBondContact O-OH 3.28Å; A106-Y108 HydrophobicContact CB-CE2 3.9Å; A106-Y108 WeakPolarHBondContact O-CD2 3.41Å; A106-Y108 WeakPolarHBondContact O-CE2 3.47Å
109	F	98.6	Very high	96.9	Very high	77 Å²	77	65.1 Å²	65.1	34%	0.338	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.2	-174.3	-59.6	-83.8	0	0	0	109.9	W54 Y55 Q57 L63 K107	W54-F109 WeakPolarHBondContact CA-O 3.4Å; W54-F109 VanDerWaalsContact CE3-C 3.49Å; Y55-F109 PolarHBondContact N-O 2.89Å; Y55-F109 PolarHBondContact O-N 3.07Å; Q57-F109 HydrophobicContact CB-CD2 4.5Å; Q57-F109 HydrophobicContact CB-CE2 3.8Å; L63-F109 HydrophobicContact CD1-CD2 3.85Å; L63-F109 HydrophobicContact CD1-CE2 3.86Å; L63-F109 HydrophobicContact CG-CD2 4.35Å; K107-F109 HydrophobicContact CB-CE2 3.75Å; K107-F109 HydrophobicContact CB-CZ 3.94Å; K107-F109 HydrophobicContact CD-CZ 4.22Å
110	C	98.4	Very high	96.8	Very high	9 Å²	9	65.2 Å²	65.2	6%	0.061	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.3	166.9	-167.6	0	0	0	0	108.9	Q25 C42 F53 W54	Q25-C110 HydrophobicContact CG-CB 4Å; C42-C110 HydrophobicContact CB-CB 3.53Å; C42-C110 WeakPolarHBondContact CB-SG 3.36Å; C42-C110 WeakPolarHBondContact SG-CB 3.43Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 3.21Å; F53-C110 WeakPolarHBondContact O-CA 3.37Å; W54-C110 HydrophobicContact CD2-CB 4.24Å; W54-C110 HydrophobicContact CE3-CB 4.2Å; W54-C110 HydrophobicContact CH2-CB 3.88Å; W54-C110 HydrophobicContact CZ2-CB 3.91Å; W54-C110 HydrophobicContact CZ3-CB 4.01Å
111	A	97.8	Very high	96.7	Very high	33 Å²	33	69.9 Å²	69.9	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.8	177.9	0	0	0	0	0	111.2	L52 F53 Y55	L52-A111 WeakPolarHBondContact CA-O 3.43Å; F53-A111 HydrophobicContact CB-CB 4.34Å; F53-A111 PolarHBondContact N-O 2.73Å; F53-A111 PolarHBondContact O-N 2.99Å; Y55-A111 HydrophobicContact CE2-CB 4.33Å
112	L	95.8	Very high	96.7	Very high	29 Å²	29	68.7 Å²	68.7	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	176.2	170.4	66.3	0	0	0	108.4	Q21 V23 Y46 P50 Y51 L52	Q21-L112 HydrophobicContact CB-CD2 3.74Å; Q21-L112 HydrophobicContact CG-CD2 4.23Å; V23-L112 HydrophobicContact CG1-CB 3.49Å; V23-L112 VanDerWaalsContact CG1-CB 3.49Å; Y46-L112 HydrophobicContact CD1-CD1 4.28Å; Y46-L112 HydrophobicContact CG-CD2 4.37Å; P50-L112 HydrophobicContact CB-CD1 3.32Å; Y51-L112 WeakPolarHBondContact O-CA 3.39Å; L52-L112 HydrophobicContact CD2-CB 4.06Å; L52-L112 HydrophobicContact CD2-CD1 3.8Å; L52-L112 HydrophobicContact CD2-CG 4.49Å; L52-L112 HydrophobicContact CG-CD1 4.46Å
113	E	88.1	Confident	96.8	Very high	135 Å²	135	57.8 Å²	57.8	63%	0.631	32%	0.318	S	S	*	.			trans	-105.6	0	169.4	-178.7	177.7	-151.5	0	0	111.5	Q21 Y51 F53	Q21-E113 PolarHBondContact NE2-OXT 3.26Å; Q21-E113 PolarHBondContact OE1-OXT 3.18Å; Y51-E113 PolarHBondContact O-N 2.97Å; F53-E113 HydrophobicContact CE2-CB 3.88Å

Retrieved 113 of 113 residues in 149.8 ms (Link to these results)

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