A0A075B6A1_MOUSE Loading...

T cell receptor alpha variable 14D-1

AlphaFold DB , UniProt , Accession A0A075B6A1, Species MOUSE (Mus musculus, Mouse), Gene Trav14d-1, Length 113 aa.

						>A0A075B6A1_MOUSE|A0A075B6A1|Trav14d-1
MDKILTATFLLLGLHLEKRDQQQVRQSPQSLTVWEGETAILNCSYEDSTFNYFPWYQQFPGEGPALLISIRSVSDKKEDGRFTIFFNKREKKLSLHITDSQPGDSATYFCAAS
					

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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	33.7	Very low	44.3	Very low	217 Å²	217	153.4 Å²	153.4	100%	1.069	81%	0.809	S	S	*	*				0	50.3	0	-75	177.7	55.2	0	0	108.5
2	D	36.7	Very low	44.6	Very low	133 Å²	133	155 Å²	155	71%	0.711	82%	0.817	S	S	*	*				69.3	109	83.8	-44.5	-31.8	0	0	0	107.7
3	K	35.1	Very low	45.1	Very low	192 Å²	192	148.7 Å²	148.7	84%	0.835	81%	0.812	S	S	*	*				-145.3	112.5	71.1	-72	152.8	-167.6	-177.8	0	110.4	L5	K3-L5 PolarHBondContact O-N 3.06Å
4	I	45.5	Very low	44.9	Very low	157 Å²	157	149.5 Å²	149.5	81%	0.805	81%	0.814	S	S	*	*			trans	-59.7	101.2	159.4	-65.2	165.1	0	0	0	105.8	T6	I4-T6 PolarHBondContact O-N 3.22Å; I4-T6 VanDerWaalsContact O-N 3.12Å
5	L	49.3	Very low	45.3	Very low	160 Å²	160	151.1 Å²	151.1	84%	0.838	81%	0.813	S	S	*	*			trans	-68.3	107.6	166.1	-78.4	161	0	0	0	105.7	K3 A7	K3-L5 PolarHBondContact O-N 3.06Å; L5-A7 PolarHBondContact O-N 2.88Å
6	T	48.4	Very low	44.9	Very low	124 Å²	124	149.3 Å²	149.3	76%	0.761	80%	0.803	S	S	*	*			trans	-48.2	100.6	177.7	32.8	0	0	0	0	110.8	I4 T8	I4-T6 PolarHBondContact O-N 3.22Å; I4-T6 VanDerWaalsContact O-N 3.12Å; T6-T8 PolarHBondContact O-N 3.29Å
7	A	47.5	Very low	44.9	Very low	76 Å²	76	150.2 Å²	150.2	63%	0.628	80%	0.801	S	S	*	*			trans	-78.9	104.3	166.2	0	0	0	0	0	107.9	L5 F9	L5-A7 PolarHBondContact O-N 2.88Å; A7-F9 HydrophobicContact CB-CD2 4.32Å; A7-F9 HydrophobicContact CB-CE2 4.19Å; A7-F9 PolarHBondContact O-N 3.48Å; A7-F9 VanDerWaalsContact O-N 3.09Å
8	T	51.4	Low	44.6	Very low	130 Å²	130	150.1 Å²	150.1	80%	0.798	79%	0.792	S	S	*	*			trans	-74.9	96.9	177.7	-24.5	0	0	0	0	108.9	T6	T6-T8 PolarHBondContact O-N 3.29Å
9	F	47.5	Very low	44.6	Very low	176 Å²	176	154.8 Å²	154.8	77%	0.772	80%	0.798	S	S	*	*			trans	-82.1	118.8	169.1	-85.2	-94.9	0	0	0	109.3	A7	A7-F9 HydrophobicContact CB-CD2 4.32Å; A7-F9 HydrophobicContact CB-CE2 4.19Å; A7-F9 PolarHBondContact O-N 3.48Å; A7-F9 VanDerWaalsContact O-N 3.09Å
10	L	41	Very low	44.8	Very low	160 Å²	160	153 Å²	153	84%	0.838	79%	0.79	S	S	*	*			trans	-96.6	97.3	165.4	-70.8	173.8	0	0	0	108.7	L12	L10-L12 PolarHBondContact O-N 3.09Å
11	L	50.9	Low	45.2	Very low	162 Å²	162	153 Å²	153	85%	0.848	79%	0.786	S	S	*	*			trans	-81.2	102.7	164.5	-74.3	166.1	0	0	0	108.3	G13	L11-G13 PolarHBondContact O-N 3.29Å
12	L	48.5	Very low	46.5	Very low	173 Å²	173	149 Å²	149	91%	0.906	77%	0.765	S	S	*	*			trans	-92.8	90.2	164.5	-80.4	162.8	0	0	0	108.3	L10	L10-L12 PolarHBondContact O-N 3.09Å
13	G	51.4	Low	48.9	Very low	73 Å²	73	146.5 Å²	146.5	75%	0.753	75%	0.749	S	S	*	*			trans	-81.3	115.5	167.1	0	0	0	0	0	110.6	L11	L11-G13 PolarHBondContact O-N 3.29Å
14	L	42.3	Very low	51.7	Low	160 Å²	160	138.5 Å²	138.5	84%	0.838	72%	0.716	S	S	*	*			trans	-124	105.5	145.8	-90.2	165.5	0	0	0	106.6	L16	L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 3.17Å
15	H	50.5	Low	54.1	Low	173 Å²	173	137.7 Å²	137.7	80%	0.801	70%	0.703	S	S	*	*			trans	-78	86.1	166.2	-134.7	26.7	0	0	0	107.1
16	L	38.8	Very low	56.4	Low	123 Å²	123	133.7 Å²	133.7	64%	0.644	68%	0.68	S	S	*	*			trans	-103.7	93.9	153.8	-120.3	75.7	0	0	0	105.8	L14 K18	L14-L16 VanDerWaalsContact C-N 3.26Å; L14-L16 PolarHBondContact O-N 3.17Å; L16-K18 HydrophobicContact CD2-CD 4.03Å; L16-K18 HydrophobicContact CD2-CG 4Å; L16-K18 HydrophobicContact CG-CG 4.47Å; L16-K18 PolarHBondContact O-N 3.1Å
17	E	45.4	Very low	58.6	Low	165 Å²	165	130.7 Å²	130.7	77%	0.771	66%	0.664	S	S	*	*			trans	-65.3	70.6	153.7	-72.7	-163.6	150.9	0	0	108.2	R19	E17-R19 PolarHBondContact O-N 2.75Å
18	K	39.4	Very low	60.9	Low	147 Å²	147	129.9 Å²	129.9	64%	0.639	65%	0.653	S	S	*	*			trans	-77.6	99.3	152.7	-85.4	-172.8	175.5	-172.7	0	105.5	L16 D20	L16-K18 HydrophobicContact CD2-CD 4.03Å; L16-K18 HydrophobicContact CD2-CG 4Å; L16-K18 HydrophobicContact CG-CG 4.47Å; L16-K18 PolarHBondContact O-N 3.1Å; K18-D20 PolarHBondContact O-N 2.73Å
19	R	45	Very low	62.8	Low	240 Å²	240	133.5 Å²	133.5	91%	0.906	66%	0.66	S	S	*	*			trans	-66.6	66	147.4	-75.8	-173.5	-175.8	-175.6	2	107.8	E17 Q21	E17-R19 PolarHBondContact O-N 2.75Å; R19-Q21 PolarHBondContact O-N 2.81Å
20	D	47.8	Very low	65	Low	119 Å²	119	129.9 Å²	129.9	64%	0.636	66%	0.657	S	S	*	*			trans	-63.3	128	141.5	-89.8	-31.7	0	0	0	103.9	K18 Q22	K18-D20 PolarHBondContact O-N 2.73Å; D20-Q22 PolarHBondContact O-N 3.2Å
21	Q	53.4	Low	67.6	Low	153 Å²	153	126 Å²	126	72%	0.715	64%	0.636	S	S	*	*			trans	-53.8	98.8	167.7	-111.1	174.1	-65	0	0	105.9	R19 Q23	R19-Q21 PolarHBondContact O-N 2.81Å; Q21-Q23 WeakPolarHBondContact O-CG 3.42Å; Q21-Q23 PolarHBondContact O-N 3.47Å
22	Q	61.7	Low	69.8	Low	134 Å²	134	124.6 Å²	124.6	63%	0.626	64%	0.635	S	S	*	*			trans	-70.5	89.8	-178.8	180	147.7	23.1	0	0	106.4	D20 V24	D20-Q22 PolarHBondContact O-N 3.2Å; Q22-V24 WeakPolarHBondContact CG-O 3.3Å; Q22-V24 PolarHBondContact NE2-O 2.82Å; Q22-V24 PolarHBondContact O-N 2.85Å
23	Q	86.3	Confident	72	Confident	80 Å²	80	118.7 Å²	118.7	37%	0.374	61%	0.606	S	S	.	*	S	Bend	trans	-65.5	-9	-174.3	-69	-177.7	-39.3	0	0	112.2	Q21 Y45 E46 F50	Q21-Q23 WeakPolarHBondContact O-CG 3.42Å; Q21-Q23 PolarHBondContact O-N 3.47Å; Q23-Y45 CarbonylContact O-C 3.43Å; Q23-Y45 WeakPolarHBondContact O-CA 3.47Å; Q23-Y45 VanDerWaalsContact O-CB 3.31Å; Q23-Y45 WeakPolarHBondContact O-CB 3.47Å; Q23-E46 PolarHBondContact O-N 3.01Å; Q23-F50 HydrophobicContact CB-CE2 4.04Å; Q23-F50 HydrophobicContact CB-CZ 4.38Å
24	V	93.9	Very high	74.1	Confident	24 Å²	24	124.8 Å²	124.8	15%	0.145	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.2	122.4	177	-176.4	0	0	0	0	110	Q22 C43 S44 C110 A112	Q22-V24 WeakPolarHBondContact CG-O 3.3Å; Q22-V24 PolarHBondContact NE2-O 2.82Å; Q22-V24 PolarHBondContact O-N 2.85Å; V24-C43 WeakPolarHBondContact CG1-SG 3.45Å; V24-S44 CarbonylContact C-O 3.49Å; V24-S44 VanDerWaalsContact CA-O 3.27Å; V24-S44 WeakPolarHBondContact CA-O 3.32Å; V24-C110 HydrophobicContact CG1-CB 4.16Å; V24-A112 HydrophobicContact CG2-CB 3.77Å
25	R	96.3	Very high	76.8	Confident	139 Å²	139	124.1 Å²	124.1	53%	0.525	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.1	134.7	-179.7	-59.4	174.5	-176.7	-99.7	-2	110	C43 S44 E46	R25-C43 CarbonylContact O-C 3.59Å; R25-C43 VanDerWaalsContact O-CA 3.24Å; R25-C43 WeakPolarHBondContact O-CA 3.4Å; R25-S44 PolarHBondContact N-O 2.93Å; R25-S44 PolarHBondContact O-N 2.79Å; R25-E46 IonicContact CZ-OE1 3.63Å; R25-E46 IonicContact NE-OE1 3.37Å; R25-E46 PolarHBondContact NE-OE1 2.85Å; R25-E46 IonicContact NH2-OE1 3.04Å; R25-E46 PolarHBondContact NH2-OE1 3.01Å
26	Q	96.9	Very high	78.9	Confident	77 Å²	77	117.8 Å²	117.8	36%	0.36	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.8	149.1	-179.3	-73.1	177.6	-125.5	0	0	112.5	N42 C43 Y108 C110	Q26-N42 CarbonylContact C-O 3.58Å; Q26-N42 VanDerWaalsContact CA-O 3.29Å; Q26-N42 WeakPolarHBondContact CA-O 3.39Å; Q26-C43 HydrophobicContact CG-CB 4.36Å; Q26-Y108 PolarHBondContact NE2-O 2.97Å; Q26-C110 VanDerWaalsContact CD-N 3.34Å; Q26-C110 HydrophobicContact CG-CB 3.78Å
27	S	93.9	Very high	81.8	Confident	61 Å²	61	116.8 Å²	116.8	43%	0.427	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.1	150.8	172.3	63.1	0	0	0	0	112.7	N42	S27-N42 PolarHBondContact N-O 2.86Å; S27-N42 WeakPolarHBondContact O-CA 3.16Å; S27-N42 WeakPolarHBondContact O-CB 3.46Å; S27-N42 PolarHBondContact O-N 3.29Å
28	P	96.7	Very high	84.3	Confident	59 Å²	59	112.2 Å²	112.2	38%	0.383	56%	0.556	S	S	.	*			cis	-70.6	169	-11	34.6	-37.8	0	0	0	111.8	S30 L31	P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 WeakPolarHBondContact CB-O 3.38Å; P28-S30 WeakPolarHBondContact CG-O 3.3Å; P28-L31 HydrophobicContact CG-CB 3.9Å; P28-L31 HydrophobicContact CG-CD1 4.35Å
29	Q	91.3	Very high	87.1	Confident	206 Å²	206	105.6 Å²	105.6	96%	0.963	53%	0.529	S	S	*	.	S	Bend	trans	-70.3	-26.1	174.8	-69.6	-179.4	-5	0	0	112.7
30	S	93.9	Very high	89.7	Confident	100 Å²	100	97.5 Å²	97.5	70%	0.699	50%	0.503	S	S	*	.	S	Bend	trans	-147.8	144.4	174	179.8	0	0	0	0	108.5	P28	P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 WeakPolarHBondContact CB-O 3.38Å; P28-S30 WeakPolarHBondContact CG-O 3.3Å
31	L	94.9	Very high	92.1	Very high	77 Å²	77	92.9 Å²	92.9	40%	0.403	48%	0.478	S	S	.	.			trans	-137.9	128.5	179.9	179.8	62.7	0	0	0	108.6	P28 A39 L41	P28-L31 HydrophobicContact CG-CB 3.9Å; P28-L31 HydrophobicContact CG-CD1 4.35Å; L31-A39 HydrophobicContact CD2-CB 3.94Å; L31-L41 HydrophobicContact CD2-CD2 4.2Å
32	T	96.5	Very high	94.2	Very high	134 Å²	134	88.9 Å²	88.9	82%	0.822	46%	0.461	S	S	*	.			trans	-108.9	129.8	166.2	-55.7	0	0	0	0	107.5
33	V	95.7	Very high	95.9	Very high	48 Å²	48	82.7 Å²	82.7	29%	0.291	43%	0.433	S	S	.	.			trans	-132.5	146.3	-178	63.6	0	0	0	0	108.6	E37 A39	V33-E37 HydrophobicContact CG2-CB 3.63Å; V33-A39 HydrophobicContact CB-CB 4.5Å; V33-A39 HydrophobicContact CG1-CB 4.16Å; V33-A39 HydrophobicContact CG2-CB 4.46Å
34	W	96.1	Very high	96.5	Very high	202 Å²	202	80.9 Å²	80.9	77%	0.765	43%	0.429	S	S	*	.			trans	-77.7	153.3	174.6	-63.3	105.1	0	0	0	111.1	G36 E37	W34-G36 PolarHBondContact O-N 3.38Å; W34-E37 HydrophobicContact CB-CG 4.06Å; W34-E37 PolarHBondContact N-OE2 3.32Å; W34-E37 WeakPolarHBondContact O-CB 3.42Å; W34-E37 PolarHBondContact O-N 3.12Å; W34-E37 VanDerWaalsContact O-N 3.12Å
35	E	97.7	Very high	96.5	Very high	146 Å²	146	80.2 Å²	80.2	68%	0.682	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	136.7	172.8	-172.3	174.3	-176.3	0	0	110.4	E37 S100	E35-E37 PolarHBondContact O-N 2.87Å; E35-S100 CarbonylContact C-O 3.54Å; E35-S100 VanDerWaalsContact CA-O 3.3Å; E35-S100 WeakPolarHBondContact CA-O 3.48Å; E35-S100 WeakPolarHBondContact CG-O 3.37Å
36	G	96.3	Very high	96.4	Very high	40 Å²	40	77 Å²	77	41%	0.412	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-16.4	-175.6	0	0	0	0	0	115.2	W34 S100	W34-G36 PolarHBondContact O-N 3.38Å; G36-S100 PolarHBondContact N-O 2.74Å
37	E	98.2	Very high	96.2	Very high	102 Å²	102	75.5 Å²	75.5	48%	0.477	41%	0.409	S	S	.	.	S	Bend	trans	-78.7	169.6	176.6	-69.8	-168	148.1	0	0	112.4	V33 W34 E35 S100	V33-E37 HydrophobicContact CG2-CB 3.63Å; W34-E37 HydrophobicContact CB-CG 4.06Å; W34-E37 PolarHBondContact N-OE2 3.32Å; W34-E37 WeakPolarHBondContact O-CB 3.42Å; W34-E37 PolarHBondContact O-N 3.12Å; W34-E37 VanDerWaalsContact O-N 3.12Å; E35-E37 PolarHBondContact O-N 2.87Å; E37-S100 VanDerWaalsContact O-CB 3.26Å; E37-S100 WeakPolarHBondContact O-CB 3.49Å; E37-S100 PolarHBondContact O-N 2.8Å; E37-S100 PolarHBondContact O-OG 3.38Å
38	T	98.5	Very high	96.1	Very high	68 Å²	68	76.6 Å²	76.6	42%	0.417	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-93.9	119.4	176.9	-59.4	0	0	0	0	111	I40 H96 I97 T98	T38-I40 HydrophobicContact CG2-CG1 4.06Å; T38-H96 HydrophobicContact CG2-CB 4.39Å; T38-I97 CarbonylContact C-O 3.59Å; T38-I97 VanDerWaalsContact CA-O 3.29Å; T38-I97 WeakPolarHBondContact CA-O 3.47Å; T38-T98 HydrophobicContact CG2-CG2 4.34Å
39	A	98.4	Very high	95.9	Very high	9 Å²	9	78.5 Å²	78.5	7%	0.074	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.9	167.9	0	0	0	0	0	110.2	L31 V33 H96 I97	L31-A39 HydrophobicContact CD2-CB 3.94Å; V33-A39 HydrophobicContact CB-CB 4.5Å; V33-A39 HydrophobicContact CG1-CB 4.16Å; V33-A39 HydrophobicContact CG2-CB 4.46Å; A39-H96 WeakPolarHBondContact O-CA 3.29Å; A39-I97 HydrophobicContact CB-CB 4.16Å; A39-I97 HydrophobicContact CB-CG1 4.49Å; A39-I97 PolarHBondContact N-O 2.68Å; A39-I97 PolarHBondContact O-N 3.25Å
40	I	98.6	Very high	96.1	Very high	70 Å²	70	69.8 Å²	69.8	36%	0.359	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.6	178.1	-56.8	177.4	0	0	0	109.1	T38	T38-I40 HydrophobicContact CG2-CG1 4.06Å
41	L	98.6	Very high	96.2	Very high	22 Å²	22	68.6 Å²	68.6	12%	0.115	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124	176	-59.7	170.3	0	0	0	108.4	L31 W55 S94 L95 Y108	L31-L41 HydrophobicContact CD2-CD2 4.2Å; L41-W55 HydrophobicContact CB-CH2 3.76Å; L41-W55 HydrophobicContact CB-CZ3 4Å; L41-W55 HydrophobicContact CD1-CZ3 4.33Å; L41-S94 CarbonylContact O-C 3.58Å; L41-S94 WeakPolarHBondContact O-CA 3.35Å; L41-S94 WeakPolarHBondContact O-CB 3.33Å; L41-L95 HydrophobicContact CB-CB 4.37Å; L41-L95 HydrophobicContact CD1-CD2 4.21Å; L41-L95 PolarHBondContact N-O 3.46Å; L41-L95 PolarHBondContact O-N 2.79Å; L41-Y108 HydrophobicContact CD1-CD1 4.08Å; L41-Y108 HydrophobicContact CD1-CD2 3.8Å; L41-Y108 HydrophobicContact CD1-CG 3.53Å
42	N	98.5	Very high	96.3	Very high	68 Å²	68	67.8 Å²	67.8	36%	0.364	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	149.2	-177.7	-61.1	-74.2	0	0	0	110.8	Q26 S27	Q26-N42 CarbonylContact C-O 3.58Å; Q26-N42 VanDerWaalsContact CA-O 3.29Å; Q26-N42 WeakPolarHBondContact CA-O 3.39Å; S27-N42 PolarHBondContact N-O 2.86Å; S27-N42 WeakPolarHBondContact O-CA 3.16Å; S27-N42 WeakPolarHBondContact O-CB 3.46Å; S27-N42 PolarHBondContact O-N 3.29Å
43	C	97.5	Very high	96.4	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.034	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.1	177.7	179.2	0	0	0	0	109.3	V24 R25 Q26 W55 K92 L93 C110	V24-C43 WeakPolarHBondContact CG1-SG 3.45Å; R25-C43 CarbonylContact O-C 3.59Å; R25-C43 VanDerWaalsContact O-CA 3.24Å; R25-C43 WeakPolarHBondContact O-CA 3.4Å; Q26-C43 HydrophobicContact CG-CB 4.36Å; C43-W55 HydrophobicContact CB-CH2 3.98Å; C43-W55 HydrophobicContact CB-CZ2 3.63Å; C43-K92 CarbonylContact O-C 3.47Å; C43-K92 WeakPolarHBondContact O-CA 3.48Å; C43-L93 WeakPolarHBondContact CA-O 3.24Å; C43-L93 HydrophobicContact CB-CD2 3.62Å; C43-L93 HydrophobicContact CB-CG 3.84Å; C43-L93 PolarHBondContact N-O 2.77Å; C43-L93 PolarHBondContact O-N 2.82Å; C43-L93 WeakPolarHBondContact SG-CD2 3.38Å; C43-C110 HydrophobicContact CB-CB 3.59Å; C43-C110 WeakPolarHBondContact CB-SG 3.04Å; C43-C110 WeakPolarHBondContact SG-CB 3.31Å; C43-C110 CovalentContact SG-SG 2.04Å; C43-C110 PolarHBondContact SG-SG 3.27Å
44	S	97.4	Very high	96.5	Very high	42 Å²	42	59.3 Å²	59.3	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.1	170.2	63.7	0	0	0	0	110.2	V24 R25 K91	V24-S44 CarbonylContact C-O 3.49Å; V24-S44 VanDerWaalsContact CA-O 3.27Å; V24-S44 WeakPolarHBondContact CA-O 3.32Å; R25-S44 PolarHBondContact N-O 2.93Å; R25-S44 PolarHBondContact O-N 2.79Å; S44-K91 CarbonylContact C-O 3.59Å; S44-K91 VanDerWaalsContact CA-O 3.26Å; S44-K91 WeakPolarHBondContact CA-O 3.27Å
45	Y	95.3	Very high	96.7	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.039	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.8	-179.3	67.9	-84	0	0	0	112.3	Q23 D47 F50 F53 F86 K91 L93	Q23-Y45 CarbonylContact O-C 3.43Å; Q23-Y45 WeakPolarHBondContact O-CA 3.47Å; Q23-Y45 VanDerWaalsContact O-CB 3.31Å; Q23-Y45 WeakPolarHBondContact O-CB 3.47Å; Y45-D47 WeakPolarHBondContact CD2-O 3.26Å; Y45-D47 VanDerWaalsContact CE2-O 3.25Å; Y45-D47 WeakPolarHBondContact CE2-O 3.29Å; Y45-F50 HydrophobicContact CD2-CD2 4.12Å; Y45-F53 HydrophobicContact CD1-CD1 4.31Å; Y45-F53 AromaticContact CD1-CE1 3.57Å; Y45-F53 HydrophobicContact CD1-CE1 3.57Å; Y45-F53 HydrophobicContact CD1-CZ 4.3Å; Y45-F53 AromaticContact CD2-CE1 3.94Å; Y45-F53 HydrophobicContact CD2-CE1 3.94Å; Y45-F53 HydrophobicContact CD2-CZ 4.29Å; Y45-F53 HydrophobicContact CE1-CD1 4.43Å; Y45-F53 AromaticContact CE1-CE1 3.55Å; Y45-F53 HydrophobicContact CE1-CE1 3.55Å; Y45-F53 AromaticContact CE1-CZ 3.86Å; Y45-F53 HydrophobicContact CE1-CZ 3.86Å; Y45-F53 AromaticContact CE2-CE1 3.93Å; Y45-F53 HydrophobicContact CE2-CE1 3.93Å; Y45-F53 AromaticContact CE2-CZ 3.85Å; Y45-F53 HydrophobicContact CE2-CZ 3.85Å; Y45-F53 AromaticContact CG-CE1 3.77Å; Y45-F53 HydrophobicContact CG-CE1 3.77Å; Y45-F53 AromaticContact CZ-CE1 3.75Å; Y45-F53 AromaticContact CZ-CZ 3.62Å; Y45-F86 AromaticContact CE1-CE2 3.7Å; Y45-F86 HydrophobicContact CE1-CE2 3.7Å; Y45-F86 HydrophobicContact CE1-CZ 4.19Å; Y45-F86 WeakPolarHBondContact OH-CZ 3.15Å; Y45-K91 HydrophobicContact CD1-CB 4.02Å; Y45-K91 VanDerWaalsContact CD1-O 3.29Å; Y45-K91 WeakPolarHBondContact CD1-O 3.44Å; Y45-K91 HydrophobicContact CD2-CB 4.22Å; Y45-K91 HydrophobicContact CE1-CB 3.77Å; Y45-K91 HydrophobicContact CE2-CB 3.98Å; Y45-K91 HydrophobicContact CE2-CD 4.41Å; Y45-K91 HydrophobicContact CE2-CG 4.1Å; Y45-K91 HydrophobicContact CG-CB 4.23Å; Y45-K91 PolarHBondContact N-O 2.8Å; Y45-K91 WeakPolarHBondContact O-CB 3.43Å; Y45-K91 WeakPolarHBondContact O-CD 3.45Å; Y45-L93 HydrophobicContact CD1-CD2 4.22Å
46	E	93.6	Very high	96.7	Very high	70 Å²	70	46.3 Å²	46.3	33%	0.327	26%	0.258	S	S	.	.	S	Bend	trans	-101	-41.4	-173.9	-65.3	-176.5	-174.6	0	0	112.4	Q23 R25 S48 K91	Q23-E46 PolarHBondContact O-N 3.01Å; R25-E46 IonicContact CZ-OE1 3.63Å; R25-E46 IonicContact NE-OE1 3.37Å; R25-E46 PolarHBondContact NE-OE1 2.85Å; R25-E46 IonicContact NH2-OE1 3.04Å; R25-E46 PolarHBondContact NH2-OE1 3.01Å; E46-S48 PolarHBondContact O-N 2.65Å; E46-K91 PolarHBondContact O-NZ 3.46Å
47	D	92.6	Very high	96.8	Very high	47 Å²	47	45.6 Å²	45.6	25%	0.251	24%	0.244	S	C	.	.			trans	-81.1	118.8	-175	-165.9	-25.6	0	0	0	112.3	Y45 T49 F50	Y45-D47 WeakPolarHBondContact CD2-O 3.26Å; Y45-D47 VanDerWaalsContact CE2-O 3.25Å; Y45-D47 WeakPolarHBondContact CE2-O 3.29Å; D47-T49 VanDerWaalsContact C-N 3.25Å; D47-T49 PolarHBondContact O-N 2.86Å; D47-T49 VanDerWaalsContact OD1-CB 3.31Å; D47-T49 WeakPolarHBondContact OD1-CB 3.43Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.33Å; D47-T49 PolarHBondContact OD1-N 2.91Å; D47-T49 PolarHBondContact OD1-OG1 3.27Å; D47-T49 PolarHBondContact OD2-OG1 2.98Å; D47-F50 HydrophobicContact CB-CD1 4.33Å; D47-F50 HydrophobicContact CB-CD2 3.78Å; D47-F50 HydrophobicContact CB-CE1 4.19Å; D47-F50 HydrophobicContact CB-CE2 3.63Å; D47-F50 HydrophobicContact CB-CG 4.16Å; D47-F50 HydrophobicContact CB-CZ 3.87Å
48	S	91.4	Very high	96.8	Very high	83 Å²	83	43.4 Å²	43.4	58%	0.58	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.2	178.8	47.8	0	0	0	0	114.7	E46 F50	E46-S48 PolarHBondContact O-N 2.65Å; S48-F50 VanDerWaalsContact C-N 3.33Å
49	T	93.8	Very high	96.7	Very high	100 Å²	100	43.4 Å²	43.4	61%	0.613	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-22.4	177.3	65.8	0	0	0	0	112.4	D47 N51	D47-T49 VanDerWaalsContact C-N 3.25Å; D47-T49 PolarHBondContact O-N 2.86Å; D47-T49 VanDerWaalsContact OD1-CB 3.31Å; D47-T49 WeakPolarHBondContact OD1-CB 3.43Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.33Å; D47-T49 PolarHBondContact OD1-N 2.91Å; D47-T49 PolarHBondContact OD1-OG1 3.27Å; D47-T49 PolarHBondContact OD2-OG1 2.98Å; T49-N51 PolarHBondContact O-N 2.95Å
50	F	94.9	Very high	96.6	Very high	22 Å²	22	48.7 Å²	48.7	10%	0.096	26%	0.262	C	S	.	.			trans	-58.7	133.2	176.6	-63.3	-26.2	0	0	0	112.3	Q23 Y45 D47 S48 F53 A112 S113	Q23-F50 HydrophobicContact CB-CE2 4.04Å; Q23-F50 HydrophobicContact CB-CZ 4.38Å; Y45-F50 HydrophobicContact CD2-CD2 4.12Å; D47-F50 HydrophobicContact CB-CD1 4.33Å; D47-F50 HydrophobicContact CB-CD2 3.78Å; D47-F50 HydrophobicContact CB-CE1 4.19Å; D47-F50 HydrophobicContact CB-CE2 3.63Å; D47-F50 HydrophobicContact CB-CG 4.16Å; D47-F50 HydrophobicContact CB-CZ 3.87Å; S48-F50 VanDerWaalsContact C-N 3.33Å; F50-F53 HydrophobicContact CB-CE1 4.07Å; F50-F53 HydrophobicContact CB-CZ 3.76Å; F50-A112 HydrophobicContact CB-CB 4.08Å; F50-A112 HydrophobicContact CD2-CB 3.31Å; F50-A112 HydrophobicContact CE2-CB 3.76Å; F50-A112 HydrophobicContact CG-CB 3.84Å; F50-S113 CarbonylContact C-O 3.52Å; F50-S113 WeakPolarHBondContact CA-O 3.47Å
51	N	96.4	Very high	96.4	Very high	76 Å²	76	49.8 Å²	49.8	41%	0.406	29%	0.29	S	S	.	.			trans	-131.5	-5.2	-175.4	72.1	31.6	0	0	0	114.1	T49 R71 S72 S113	T49-N51 PolarHBondContact O-N 2.95Å; N51-R71 CarbonylContact O-C 3.53Å; N51-R71 WeakPolarHBondContact O-CA 3.23Å; N51-S72 PolarHBondContact O-N 2.68Å; N51-S113 PolarHBondContact N-O 3.04Å
52	Y	97.4	Very high	96.3	Very high	60 Å²	60	54.4 Å²	54.4	24%	0.235	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.3	178	-178.6	-115.9	0	0	0	110.5	P54 S69 R71 A112 S113	Y52-P54 HydrophobicContact CD1-CG 4.15Å; Y52-P54 HydrophobicContact CE1-CB 3.97Å; Y52-P54 HydrophobicContact CE1-CG 3.73Å; Y52-S69 VanDerWaalsContact CE2-CB 3.45Å; Y52-S69 WeakPolarHBondContact CE2-OG 2.9Å; Y52-S69 VanDerWaalsContact OH-CB 3.23Å; Y52-S69 WeakPolarHBondContact OH-CB 3.47Å; Y52-S69 PolarHBondContact OH-OG 3.11Å; Y52-R71 HydrophobicContact CD2-CG 4.2Å; Y52-A112 WeakPolarHBondContact O-CA 3.3Å; Y52-S113 PolarHBondContact N-O 3.47Å; Y52-S113 PolarHBondContact O-N 2.73Å
53	F	98	Very high	96.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	88.4	-172.5	-57.7	-93.5	0	0	0	110.5	Y45 F50 S69 I70 F86 L93 A111 A112	Y45-F53 HydrophobicContact CD1-CD1 4.31Å; Y45-F53 AromaticContact CD1-CE1 3.57Å; Y45-F53 HydrophobicContact CD1-CE1 3.57Å; Y45-F53 HydrophobicContact CD1-CZ 4.3Å; Y45-F53 AromaticContact CD2-CE1 3.94Å; Y45-F53 HydrophobicContact CD2-CE1 3.94Å; Y45-F53 HydrophobicContact CD2-CZ 4.29Å; Y45-F53 HydrophobicContact CE1-CD1 4.43Å; Y45-F53 AromaticContact CE1-CE1 3.55Å; Y45-F53 HydrophobicContact CE1-CE1 3.55Å; Y45-F53 AromaticContact CE1-CZ 3.86Å; Y45-F53 HydrophobicContact CE1-CZ 3.86Å; Y45-F53 AromaticContact CE2-CE1 3.93Å; Y45-F53 HydrophobicContact CE2-CE1 3.93Å; Y45-F53 AromaticContact CE2-CZ 3.85Å; Y45-F53 HydrophobicContact CE2-CZ 3.85Å; Y45-F53 AromaticContact CG-CE1 3.77Å; Y45-F53 HydrophobicContact CG-CE1 3.77Å; Y45-F53 AromaticContact CZ-CE1 3.75Å; Y45-F53 AromaticContact CZ-CZ 3.62Å; F50-F53 HydrophobicContact CB-CE1 4.07Å; F50-F53 HydrophobicContact CB-CZ 3.76Å; F53-S69 WeakPolarHBondContact O-CA 3.37Å; F53-I70 HydrophobicContact CB-CG2 3.98Å; F53-I70 PolarHBondContact N-O 3.46Å; F53-I70 PolarHBondContact O-N 2.97Å; F53-I70 VanDerWaalsContact O-N 3.11Å; F53-F86 HydrophobicContact CD1-CE2 4.13Å; F53-F86 HydrophobicContact CD2-CD2 4.19Å; F53-F86 AromaticContact CD2-CE2 3.63Å; F53-F86 HydrophobicContact CD2-CE2 3.63Å; F53-F86 HydrophobicContact CD2-CZ 4.1Å; F53-F86 AromaticContact CE1-CE2 3.94Å; F53-F86 HydrophobicContact CE1-CE2 3.94Å; F53-F86 HydrophobicContact CE2-CD2 4.41Å; F53-F86 AromaticContact CE2-CE2 3.44Å; F53-F86 HydrophobicContact CE2-CE2 3.44Å; F53-F86 VanDerWaalsContact CE2-CE2 3.44Å; F53-F86 AromaticContact CE2-CZ 3.54Å; F53-F86 HydrophobicContact CE2-CZ 3.54Å; F53-F86 HydrophobicContact CG-CD2 4.4Å; F53-F86 AromaticContact CG-CE2 4Å; F53-F86 HydrophobicContact CG-CE2 4Å; F53-F86 AromaticContact CZ-CE2 3.6Å; F53-F86 HydrophobicContact CZ-CE2 3.6Å; F53-F86 AromaticContact CZ-CZ 3.81Å; F53-F86 HydrophobicContact CZ-CZ 3.81Å; F53-L93 HydrophobicContact CB-CD1 3.64Å; F53-L93 HydrophobicContact CD1-CD1 4.32Å; F53-L93 HydrophobicContact CD1-CD2 4.2Å; F53-L93 HydrophobicContact CG-CD1 4.26Å; F53-A111 WeakPolarHBondContact CA-O 3.26Å; F53-A112 HydrophobicContact CD1-CB 3.62Å; F53-A112 HydrophobicContact CE1-CB 3.58Å
54	P	98.3	Very high	96.2	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	143.7	174.6	31.9	-33	0	0	0	112.3	Y52 Y56 L66 A111	Y52-P54 HydrophobicContact CD1-CG 4.15Å; Y52-P54 HydrophobicContact CE1-CB 3.97Å; Y52-P54 HydrophobicContact CE1-CG 3.73Å; P54-Y56 HydrophobicContact CB-CD2 4.49Å; P54-Y56 HydrophobicContact CB-CE2 3.81Å; P54-Y56 HydrophobicContact CG-CE2 3.68Å; P54-L66 HydrophobicContact CB-CD1 3.59Å; P54-A111 WeakPolarHBondContact CD-O 3.49Å; P54-A111 HydrophobicContact CG-CB 4.12Å; P54-A111 PolarHBondContact O-N 2.98Å
55	W	98.7	Very high	96.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.6	162	-78.5	89.6	0	0	0	109.4	L41 C43 L67 I68 L95 F109 C110	L41-W55 HydrophobicContact CB-CH2 3.76Å; L41-W55 HydrophobicContact CB-CZ3 4Å; L41-W55 HydrophobicContact CD1-CZ3 4.33Å; C43-W55 HydrophobicContact CB-CH2 3.98Å; C43-W55 HydrophobicContact CB-CZ2 3.63Å; W55-L67 WeakPolarHBondContact O-CB 3.3Å; W55-L67 PolarHBondContact O-N 3.36Å; W55-I68 HydrophobicContact CB-CG2 4.16Å; W55-I68 PolarHBondContact N-O 2.93Å; W55-I68 PolarHBondContact O-N 3.33Å; W55-L95 HydrophobicContact CB-CD2 4.22Å; W55-L95 HydrophobicContact CD2-CB 3.75Å; W55-L95 HydrophobicContact CD2-CD2 3.92Å; W55-L95 HydrophobicContact CD2-CG 4.42Å; W55-L95 HydrophobicContact CE3-CB 4.18Å; W55-L95 HydrophobicContact CE3-CD2 3.9Å; W55-L95 HydrophobicContact CG-CB 4.16Å; W55-L95 HydrophobicContact CG-CD2 4.07Å; W55-L95 HydrophobicContact CH2-CB 4.27Å; W55-L95 HydrophobicContact CZ2-CB 3.87Å; W55-L95 HydrophobicContact CZ3-CB 4.42Å; W55-F109 CarbonylContact C-O 3.59Å; W55-F109 VanDerWaalsContact CA-O 3.3Å; W55-F109 WeakPolarHBondContact CA-O 3.16Å; W55-C110 HydrophobicContact CD2-CB 4.17Å; W55-C110 HydrophobicContact CE3-CB 4.08Å; W55-C110 HydrophobicContact CH2-CB 3.79Å; W55-C110 HydrophobicContact CZ2-CB 3.86Å; W55-C110 HydrophobicContact CZ3-CB 3.89Å
56	Y	98.5	Very high	96.3	Very high	74 Å²	74	61.6 Å²	61.6	29%	0.29	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.2	174.8	-61.2	-93.5	0	0	0	110.3	P54 P64 A65 L66 Y108 F109 A111	P54-Y56 HydrophobicContact CB-CD2 4.49Å; P54-Y56 HydrophobicContact CB-CE2 3.81Å; P54-Y56 HydrophobicContact CG-CE2 3.68Å; Y56-P64 HydrophobicContact CD1-CB 4.42Å; Y56-P64 HydrophobicContact CG-CB 4.46Å; Y56-A65 CarbonylContact C-O 3.49Å; Y56-A65 WeakPolarHBondContact CA-O 3.27Å; Y56-A65 WeakPolarHBondContact CB-O 3.34Å; Y56-L66 HydrophobicContact CD1-CB 4.24Å; Y56-L66 HydrophobicContact CE1-CB 4.06Å; Y56-L66 HydrophobicContact CE1-CD1 4.18Å; Y56-Y108 CarbonylContact O-C 3.57Å; Y56-Y108 VanDerWaalsContact O-CA 3.3Å; Y56-Y108 WeakPolarHBondContact O-CA 3.4Å; Y56-F109 PolarHBondContact N-O 3.17Å; Y56-F109 PolarHBondContact O-N 3.12Å; Y56-A111 HydrophobicContact CE2-CB 4.22Å
57	Q	98	Very high	96.6	Very high	26 Å²	26	59.8 Å²	59.8	12%	0.121	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.1	171.3	-173.5	-176.4	46.1	0	0	108.7	F59 A65 L67 A106 T107 Y108	Q57-F59 HydrophobicContact CG-CZ 4.31Å; Q57-A65 PolarHBondContact N-O 2.9Å; Q57-A65 PolarHBondContact O-N 2.79Å; Q57-L67 HydrophobicContact CB-CB 4.34Å; Q57-A106 HydrophobicContact CG-CB 3.54Å; Q57-T107 CarbonylContact C-O 3.47Å; Q57-Y108 HydrophobicContact CB-CD1 4.29Å; Q57-Y108 HydrophobicContact CB-CE1 4.14Å; Q57-Y108 HydrophobicContact CG-CD1 4.31Å; Q57-Y108 HydrophobicContact CG-CE1 3.83Å; Q57-Y108 PolarHBondContact NE2-OH 3.39Å
58	Q	98.3	Very high	96.9	Very high	56 Å²	56	57.9 Å²	57.9	26%	0.262	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.1	176.5	-175.3	-177.9	20.2	0	0	109.9	E62 A106 T107 F109	Q58-E62 WeakPolarHBondContact CG-O 3.44Å; Q58-E62 PolarHBondContact NE2-O 2.98Å; Q58-A106 WeakPolarHBondContact O-CB 3.25Å; Q58-T107 PolarHBondContact N-O 3.45Å; Q58-T107 PolarHBondContact O-N 3.49Å; Q58-F109 HydrophobicContact CB-CD2 4.44Å; Q58-F109 HydrophobicContact CB-CE2 3.74Å; Q58-F109 VanDerWaalsContact OE1-CZ 3.31Å
59	F	96.9	Very high	97.2	Very high	68 Å²	68	55.5 Å²	55.5	30%	0.298	34%	0.335	S	S	.	.			trans	-78.1	155.3	169.9	-66.1	-63.5	0	0	0	111.5	Q57 G61 E62 G103 A106	Q57-F59 HydrophobicContact CG-CZ 4.31Å; F59-G61 PolarHBondContact O-N 3.09Å; F59-E62 HydrophobicContact CB-CB 4.4Å; F59-E62 HydrophobicContact CB-CG 4.3Å; F59-E62 PolarHBondContact O-N 2.93Å; F59-G103 VanDerWaalsContact CE1-O 3.3Å; F59-G103 WeakPolarHBondContact CE1-O 3.44Å; F59-A106 HydrophobicContact CD1-CB 3.87Å; F59-A106 HydrophobicContact CE1-CB 3.9Å
60	P	95.1	Very high	97.4	Very high	120 Å²	120	51 Å²	51	78%	0.779	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	124	175.9	-25.7	35	0	0	0	112.3	E62	P60-E62 VanDerWaalsContact C-N 3.32Å
61	G	96.1	Very high	97.6	Very high	93 Å²	93	56.9 Å²	56.9	96%	0.959	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-2.5	179.8	0	0	0	0	0	115.2	F59	F59-G61 PolarHBondContact O-N 3.09Å
62	E	96.1	Very high	97.5	Very high	118 Å²	118	54.1 Å²	54.1	55%	0.551	32%	0.315	S	S	*	.	S	Bend	trans	-106	170	177.4	-62.9	-173.7	-168.8	0	0	112.3	Q58 F59 P60	Q58-E62 WeakPolarHBondContact CG-O 3.44Å; Q58-E62 PolarHBondContact NE2-O 2.98Å; F59-E62 HydrophobicContact CB-CB 4.4Å; F59-E62 HydrophobicContact CB-CG 4.3Å; F59-E62 PolarHBondContact O-N 2.93Å; P60-E62 VanDerWaalsContact C-N 3.32Å
63	G	95.8	Very high	97.5	Very high	49 Å²	49	57.5 Å²	57.5	51%	0.505	34%	0.342	S	S	.	.			trans	-86.2	160.9	169.1	0	0	0	0	0	112	A65	G63-A65 PolarHBondContact O-N 2.81Å
64	P	96.9	Very high	97.5	Very high	76 Å²	76	60 Å²	60	49%	0.494	36%	0.359	S	S	.	.			trans	-60.4	126.1	173.5	-22	33.2	0	0	0	111.9	Y56 F109	Y56-P64 HydrophobicContact CD1-CB 4.42Å; Y56-P64 HydrophobicContact CG-CB 4.46Å; P64-F109 HydrophobicContact CB-CD2 4.47Å; P64-F109 HydrophobicContact CG-CE2 4.35Å
65	A	98.2	Very high	97.5	Very high	55 Å²	55	65.6 Å²	65.6	46%	0.455	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.9	175.3	0	0	0	0	0	110.4	Y56 Q57 G63 L67	Y56-A65 CarbonylContact C-O 3.49Å; Y56-A65 WeakPolarHBondContact CA-O 3.27Å; Y56-A65 WeakPolarHBondContact CB-O 3.34Å; Q57-A65 PolarHBondContact N-O 2.9Å; Q57-A65 PolarHBondContact O-N 2.79Å; G63-A65 PolarHBondContact O-N 2.81Å; A65-L67 PolarHBondContact O-N 2.88Å
66	L	98.3	Very high	97.4	Very high	96 Å²	96	69.8 Å²	69.8	50%	0.503	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.3	178.2	177.9	68.1	0	0	0	109.4	P54 Y56	P54-L66 HydrophobicContact CB-CD1 3.59Å; Y56-L66 HydrophobicContact CD1-CB 4.24Å; Y56-L66 HydrophobicContact CE1-CB 4.06Å; Y56-L66 HydrophobicContact CE1-CD1 4.18Å
67	L	98.4	Very high	97.4	Very high	32 Å²	32	71.1 Å²	71.1	17%	0.168	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-60.3	177.7	-179.7	67.2	0	0	0	110.9	W55 Q57 A65 F82 L95 Y108	W55-L67 WeakPolarHBondContact O-CB 3.3Å; W55-L67 PolarHBondContact O-N 3.36Å; Q57-L67 HydrophobicContact CB-CB 4.34Å; A65-L67 PolarHBondContact O-N 2.88Å; L67-F82 HydrophobicContact CD1-CD1 4.19Å; L67-F82 HydrophobicContact CD1-CD2 4.14Å; L67-F82 HydrophobicContact CD1-CE1 3.95Å; L67-F82 HydrophobicContact CD1-CE2 3.89Å; L67-F82 HydrophobicContact CD1-CG 4.29Å; L67-F82 HydrophobicContact CD1-CZ 3.8Å; L67-F82 HydrophobicContact CD2-CD1 3.75Å; L67-F82 HydrophobicContact CD2-CE1 3.87Å; L67-F82 HydrophobicContact CD2-CG 4.35Å; L67-F82 HydrophobicContact CG-CD1 4.22Å; L67-F82 HydrophobicContact CG-CE1 4.37Å; L67-F82 HydrophobicContact CG-CG 4.37Å; L67-L95 HydrophobicContact CD2-CD2 3.75Å; L67-Y108 HydrophobicContact CD2-CD1 4.04Å; L67-Y108 HydrophobicContact CD2-CE1 3.82Å
68	I	98.7	Very high	97.5	Very high	8 Å²	8	75.2 Å²	75.2	4%	0.041	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	153.3	-177.2	-173.3	171.2	0	0	0	109.1	W55 K77 D79 F82 I84 L95	W55-I68 HydrophobicContact CB-CG2 4.16Å; W55-I68 PolarHBondContact N-O 2.93Å; W55-I68 PolarHBondContact O-N 3.33Å; I68-K77 HydrophobicContact CD1-CG 3.99Å; I68-K77 HydrophobicContact CG1-CG 4.1Å; I68-D79 HydrophobicContact CD1-CB 3.75Å; I68-D79 HydrophobicContact CG1-CB 4.41Å; I68-F82 HydrophobicContact CD1-CB 4.25Å; I68-F82 HydrophobicContact CG2-CB 4.42Å; I68-I84 HydrophobicContact CB-CD1 4.27Å; I68-I84 HydrophobicContact CD1-CD1 4.4Å; I68-I84 HydrophobicContact CD1-CG1 4.26Å; I68-I84 HydrophobicContact CG1-CD1 3.89Å; I68-I84 HydrophobicContact CG1-CG1 4.26Å; I68-I84 HydrophobicContact CG2-CD1 3.8Å; I68-I84 HydrophobicContact CG2-CG1 3.82Å; I68-L95 HydrophobicContact CG2-CD1 3.82Å
69	S	98.4	Very high	97.5	Very high	33 Å²	33	77.1 Å²	77.1	23%	0.231	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.1	177.3	61.3	0	0	0	0	112.9	Y52 F53	Y52-S69 VanDerWaalsContact CE2-CB 3.45Å; Y52-S69 WeakPolarHBondContact CE2-OG 2.9Å; Y52-S69 VanDerWaalsContact OH-CB 3.23Å; Y52-S69 WeakPolarHBondContact OH-CB 3.47Å; Y52-S69 PolarHBondContact OH-OG 3.11Å; F53-S69 WeakPolarHBondContact O-CA 3.37Å
70	I	98.6	Very high	97.5	Very high	6 Å²	6	77.5 Å²	77.5	3%	0.031	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.3	177	-165.5	167.7	0	0	0	110.7	F53 K77 I84 F86	F53-I70 HydrophobicContact CB-CG2 3.98Å; F53-I70 PolarHBondContact N-O 3.46Å; F53-I70 PolarHBondContact O-N 2.97Å; F53-I70 VanDerWaalsContact O-N 3.11Å; I70-K77 HydrophobicContact CB-CB 4.15Å; I70-K77 HydrophobicContact CD1-CB 3.89Å; I70-K77 HydrophobicContact CG1-CB 4.03Å; I70-I84 HydrophobicContact CB-CB 4.47Å; I70-I84 HydrophobicContact CB-CD1 3.98Å; I70-I84 HydrophobicContact CB-CG2 4.27Å; I70-I84 HydrophobicContact CD1-CG2 4.41Å; I70-I84 HydrophobicContact CG2-CB 4.37Å; I70-I84 HydrophobicContact CG2-CD1 4.02Å; I70-I84 HydrophobicContact CG2-CG2 3.67Å; I70-F86 HydrophobicContact CD1-CB 3.91Å; I70-F86 HydrophobicContact CG2-CB 4.3Å
71	R	97.9	Very high	97.6	Very high	145 Å²	145	74.3 Å²	74.3	55%	0.547	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	151.5	171	-69.9	-175.9	178.2	-85.5	1.3	110.3	N51 Y52 V73 S74	N51-R71 CarbonylContact O-C 3.53Å; N51-R71 WeakPolarHBondContact O-CA 3.23Å; Y52-R71 HydrophobicContact CD2-CG 4.2Å; R71-V73 HydrophobicContact CB-CG2 4.02Å; R71-V73 PolarHBondContact O-N 2.8Å; R71-S74 PolarHBondContact O-N 2.85Å
72	S	95.3	Very high	97.8	Very high	18 Å²	18	71.4 Å²	71.4	13%	0.126	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-4.1	-176.1	69.8	0	0	0	0	116.1	N51	N51-S72 PolarHBondContact O-N 2.68Å
73	V	96.5	Very high	97.9	Very high	130 Å²	130	66.4 Å²	66.4	79%	0.788	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.1	173.1	-62.2	0	0	0	0	112.9	R71	R71-V73 HydrophobicContact CB-CG2 4.02Å; R71-V73 PolarHBondContact O-N 2.8Å
74	S	97.9	Very high	98	Very high	52 Å²	52	64 Å²	64	36%	0.364	36%	0.355	S	S	.	.			trans	-117.2	144.6	178.5	-57.1	0	0	0	0	109.6	R71 F86	R71-S74 PolarHBondContact O-N 2.85Å; S74-F86 VanDerWaalsContact O-CD1 3.3Å; S74-F86 WeakPolarHBondContact O-CD1 3.18Å
75	D	98.1	Very high	98.1	Very high	122 Å²	122	64.4 Å²	64.4	65%	0.652	35%	0.349	S	S	*	.	S	Bend	trans	-97.5	-16.7	176.7	61.6	-20.4	0	0	0	112.6	F85 F86	D75-F85 CarbonylContact O-C 3.57Å; D75-F86 PolarHBondContact O-N 2.78Å
76	K	98.5	Very high	98.1	Very high	89 Å²	89	62.4 Å²	62.4	39%	0.387	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143	-179.8	-169.7	-178.8	179.4	-164.5	0	112	E78 T83 I84 F85	K76-E78 VanDerWaalsContact CE-CD 3.46Å; K76-E78 WeakPolarHBondContact CE-OE1 3.38Å; K76-E78 IonicContact NZ-OE1 2.82Å; K76-E78 PolarHBondContact NZ-OE1 2.9Å; K76-E78 IonicContact NZ-OE2 3.27Å; K76-T83 HydrophobicContact CG-CG2 4.1Å; K76-I84 CarbonylContact C-O 3.48Å; K76-I84 VanDerWaalsContact CA-O 3.3Å; K76-I84 WeakPolarHBondContact CA-O 3.3Å; K76-F85 HydrophobicContact CD-CD1 4.44Å; K76-F85 HydrophobicContact CD-CE1 3.9Å; K76-F85 HydrophobicContact CG-CD1 4.22Å; K76-F85 HydrophobicContact CG-CE1 4.1Å
77	K	98.6	Very high	98.1	Very high	102 Å²	102	60.8 Å²	60.8	44%	0.443	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129.4	169.7	177.6	67.3	-178.5	174.8	0	109.5	I68 I70 T83 I84	I68-K77 HydrophobicContact CD1-CG 3.99Å; I68-K77 HydrophobicContact CG1-CG 4.1Å; I70-K77 HydrophobicContact CB-CB 4.15Å; I70-K77 HydrophobicContact CD1-CB 3.89Å; I70-K77 HydrophobicContact CG1-CB 4.03Å; K77-T83 CarbonylContact O-C 3.47Å; K77-T83 WeakPolarHBondContact O-CA 3.3Å; K77-I84 PolarHBondContact N-O 2.92Å; K77-I84 PolarHBondContact O-N 2.79Å
78	E	98.5	Very high	98	Very high	111 Å²	111	64.7 Å²	64.7	52%	0.519	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.2	177.8	-64.6	179	150.7	0	0	110.3	K76 F82 T83	K76-E78 VanDerWaalsContact CE-CD 3.46Å; K76-E78 WeakPolarHBondContact CE-OE1 3.38Å; K76-E78 IonicContact NZ-OE1 2.82Å; K76-E78 PolarHBondContact NZ-OE1 2.9Å; K76-E78 IonicContact NZ-OE2 3.27Å; E78-F82 WeakPolarHBondContact CA-O 3.39Å; E78-T83 HydrophobicContact CG-CG2 3.79Å
79	D	98.1	Very high	97.8	Very high	97 Å²	97	75.7 Å²	75.7	52%	0.519	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	102.4	168.3	-168.7	1	0	0	0	109.6	I68 R81 F82	I68-D79 HydrophobicContact CD1-CB 3.75Å; I68-D79 HydrophobicContact CG1-CB 4.41Å; D79-R81 PolarHBondContact O-N 3.45Å; D79-F82 PolarHBondContact N-O 2.94Å; D79-F82 WeakPolarHBondContact O-CB 3.41Å; D79-F82 PolarHBondContact O-N 2.59Å
80	G	97.8	Very high	97.7	Very high	76 Å²	76	79.2 Å²	79.2	78%	0.784	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-119.5	-174.7	0	0	0	0	0	112.4	F82	G80-F82 VanDerWaalsContact C-N 3.31Å
81	R	98.2	Very high	97.6	Very high	52 Å²	52	82.4 Å²	82.4	20%	0.196	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8	178.6	-65.1	-170.4	-58.7	107.9	1.8	113.7	D79 I97 T98 D99 D104	D79-R81 PolarHBondContact O-N 3.45Å; R81-I97 WeakPolarHBondContact O-CA 3.01Å; R81-T98 WeakPolarHBondContact CB-O 3.43Å; R81-T98 WeakPolarHBondContact CD-O 2.99Å; R81-T98 PolarHBondContact NH1-O 2.82Å; R81-T98 PolarHBondContact O-N 2.89Å; R81-T98 PolarHBondContact O-OG1 2.88Å; R81-D99 PolarHBondContact NH1-O 3.01Å; R81-D104 IonicContact CZ-OD1 2.73Å; R81-D104 IonicContact CZ-OD2 3.72Å; R81-D104 IonicContact NH1-OD1 2.59Å; R81-D104 IonicContact NH1-OD2 3.76Å; R81-D104 PolarHBondContact NH1-OD2 2.04Å; R81-D104 VanDerWaalsContact NH2-CG 3.33Å; R81-D104 IonicContact NH2-OD1 3.93Å; R81-D104 PolarHBondContact NH2-OD1 3.1Å; R81-D104 IonicContact NH2-OD2 2.75Å; R81-D104 PolarHBondContact NH2-OD2 2.9Å; R81-D104 VanDerWaalsContact NH2-OD2 3.1Å
82	F	98.6	Very high	97.6	Very high	33 Å²	33	80.4 Å²	80.4	15%	0.145	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.1	-175.9	-55.9	-77.4	0	0	0	110.7	L67 I68 E78 D79 G80 L95 H96 I97	L67-F82 HydrophobicContact CD1-CD1 4.19Å; L67-F82 HydrophobicContact CD1-CD2 4.14Å; L67-F82 HydrophobicContact CD1-CE1 3.95Å; L67-F82 HydrophobicContact CD1-CE2 3.89Å; L67-F82 HydrophobicContact CD1-CG 4.29Å; L67-F82 HydrophobicContact CD1-CZ 3.8Å; L67-F82 HydrophobicContact CD2-CD1 3.75Å; L67-F82 HydrophobicContact CD2-CE1 3.87Å; L67-F82 HydrophobicContact CD2-CG 4.35Å; L67-F82 HydrophobicContact CG-CD1 4.22Å; L67-F82 HydrophobicContact CG-CE1 4.37Å; L67-F82 HydrophobicContact CG-CG 4.37Å; I68-F82 HydrophobicContact CD1-CB 4.25Å; I68-F82 HydrophobicContact CG2-CB 4.42Å; E78-F82 WeakPolarHBondContact CA-O 3.39Å; D79-F82 PolarHBondContact N-O 2.94Å; D79-F82 WeakPolarHBondContact O-CB 3.41Å; D79-F82 PolarHBondContact O-N 2.59Å; G80-F82 VanDerWaalsContact C-N 3.31Å; F82-L95 HydrophobicContact CB-CD1 4.24Å; F82-L95 HydrophobicContact CD1-CD1 4.43Å; F82-H96 CarbonylContact C-O 3.59Å; F82-H96 WeakPolarHBondContact CA-O 3.33Å; F82-I97 HydrophobicContact CD1-CB 4.41Å; F82-I97 HydrophobicContact CD1-CD1 4.35Å; F82-I97 HydrophobicContact CD1-CG1 3.89Å; F82-I97 HydrophobicContact CD1-CG2 4.06Å; F82-I97 HydrophobicContact CE1-CB 4.42Å; F82-I97 HydrophobicContact CE1-CD1 4.04Å; F82-I97 HydrophobicContact CE1-CG1 4Å; F82-I97 HydrophobicContact CE1-CG2 3.72Å; F82-I97 HydrophobicContact CZ-CG2 4.49Å
83	T	98.8	Very high	97.7	Very high	12 Å²	12	79.8 Å²	79.8	7%	0.074	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.9	174.9	-56.1	0	0	0	0	110.6	K76 K77 E78 F85 L95 H96	K76-T83 HydrophobicContact CG-CG2 4.1Å; K77-T83 CarbonylContact O-C 3.47Å; K77-T83 WeakPolarHBondContact O-CA 3.3Å; E78-T83 HydrophobicContact CG-CG2 3.79Å; T83-F85 HydrophobicContact CG2-CD2 3.94Å; T83-F85 HydrophobicContact CG2-CE1 4.26Å; T83-F85 HydrophobicContact CG2-CE2 3.43Å; T83-F85 VanDerWaalsContact CG2-CE2 3.43Å; T83-F85 HydrophobicContact CG2-CZ 3.62Å; T83-L95 WeakPolarHBondContact O-CA 3.33Å; T83-H96 PolarHBondContact N-O 2.85Å; T83-H96 PolarHBondContact O-N 2.72Å
84	I	98.8	Very high	97.8	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.1	165.3	-55.9	168.5	0	0	0	108.8	I68 I70 K76 K77 L93 S94 L95	I68-I84 HydrophobicContact CB-CD1 4.27Å; I68-I84 HydrophobicContact CD1-CD1 4.4Å; I68-I84 HydrophobicContact CD1-CG1 4.26Å; I68-I84 HydrophobicContact CG1-CD1 3.89Å; I68-I84 HydrophobicContact CG1-CG1 4.26Å; I68-I84 HydrophobicContact CG2-CD1 3.8Å; I68-I84 HydrophobicContact CG2-CG1 3.82Å; I70-I84 HydrophobicContact CB-CB 4.47Å; I70-I84 HydrophobicContact CB-CD1 3.98Å; I70-I84 HydrophobicContact CB-CG2 4.27Å; I70-I84 HydrophobicContact CD1-CG2 4.41Å; I70-I84 HydrophobicContact CG2-CB 4.37Å; I70-I84 HydrophobicContact CG2-CD1 4.02Å; I70-I84 HydrophobicContact CG2-CG2 3.67Å; K76-I84 CarbonylContact C-O 3.48Å; K76-I84 VanDerWaalsContact CA-O 3.3Å; K76-I84 WeakPolarHBondContact CA-O 3.3Å; K77-I84 PolarHBondContact N-O 2.92Å; K77-I84 PolarHBondContact O-N 2.79Å; I84-L93 HydrophobicContact CG2-CB 4.33Å; I84-L93 HydrophobicContact CG2-CD1 4.29Å; I84-S94 CarbonylContact C-O 3.56Å; I84-S94 VanDerWaalsContact CA-O 3.27Å; I84-S94 WeakPolarHBondContact CA-O 3.09Å; I84-L95 HydrophobicContact CG1-CD1 4.39Å
85	F	98.7	Very high	97.9	Very high	83 Å²	83	71.8 Å²	71.8	36%	0.364	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.7	161.2	-63.9	-86.5	0	0	0	109.1	D75 K76 T83 L93 S94 H96	D75-F85 CarbonylContact O-C 3.57Å; K76-F85 HydrophobicContact CD-CD1 4.44Å; K76-F85 HydrophobicContact CD-CE1 3.9Å; K76-F85 HydrophobicContact CG-CD1 4.22Å; K76-F85 HydrophobicContact CG-CE1 4.1Å; T83-F85 HydrophobicContact CG2-CD2 3.94Å; T83-F85 HydrophobicContact CG2-CE1 4.26Å; T83-F85 HydrophobicContact CG2-CE2 3.43Å; T83-F85 VanDerWaalsContact CG2-CE2 3.43Å; T83-F85 HydrophobicContact CG2-CZ 3.62Å; F85-L93 CarbonylContact O-C 3.6Å; F85-L93 WeakPolarHBondContact O-CA 3.49Å; F85-L93 WeakPolarHBondContact O-CB 3.29Å; F85-S94 PolarHBondContact N-O 2.77Å; F85-S94 PolarHBondContact O-N 2.89Å; F85-H96 AromaticContact CD2-CD2 3.54Å; F85-H96 AromaticContact CD2-CE1 3.92Å; F85-H96 AromaticContact CD2-CG 3.88Å; F85-H96 AromaticContact CD2-NE2 3.58Å; F85-H96 HydrophobicContact CE2-CB 4.26Å; F85-H96 AromaticContact CE2-CD2 3.88Å; F85-H96 AromaticContact CE2-CE1 3.86Å; F85-H96 AromaticContact CE2-CG 3.72Å; F85-H96 AromaticContact CE2-ND1 3.71Å; F85-H96 AromaticContact CE2-NE2 3.98Å
86	F	98.5	Very high	97.9	Very high	14 Å²	14	67.9 Å²	67.9	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.2	-176.1	179.5	-102.2	0	0	0	110.6	Y45 F53 I70 S74 D75 K88 L93	Y45-F86 AromaticContact CE1-CE2 3.7Å; Y45-F86 HydrophobicContact CE1-CE2 3.7Å; Y45-F86 HydrophobicContact CE1-CZ 4.19Å; Y45-F86 WeakPolarHBondContact OH-CZ 3.15Å; F53-F86 HydrophobicContact CD1-CE2 4.13Å; F53-F86 HydrophobicContact CD2-CD2 4.19Å; F53-F86 AromaticContact CD2-CE2 3.63Å; F53-F86 HydrophobicContact CD2-CE2 3.63Å; F53-F86 HydrophobicContact CD2-CZ 4.1Å; F53-F86 AromaticContact CE1-CE2 3.94Å; F53-F86 HydrophobicContact CE1-CE2 3.94Å; F53-F86 HydrophobicContact CE2-CD2 4.41Å; F53-F86 AromaticContact CE2-CE2 3.44Å; F53-F86 HydrophobicContact CE2-CE2 3.44Å; F53-F86 VanDerWaalsContact CE2-CE2 3.44Å; F53-F86 AromaticContact CE2-CZ 3.54Å; F53-F86 HydrophobicContact CE2-CZ 3.54Å; F53-F86 HydrophobicContact CG-CD2 4.4Å; F53-F86 AromaticContact CG-CE2 4Å; F53-F86 HydrophobicContact CG-CE2 4Å; F53-F86 AromaticContact CZ-CE2 3.6Å; F53-F86 HydrophobicContact CZ-CE2 3.6Å; F53-F86 AromaticContact CZ-CZ 3.81Å; F53-F86 HydrophobicContact CZ-CZ 3.81Å; I70-F86 HydrophobicContact CD1-CB 3.91Å; I70-F86 HydrophobicContact CG2-CB 4.3Å; S74-F86 VanDerWaalsContact O-CD1 3.3Å; S74-F86 WeakPolarHBondContact O-CD1 3.18Å; D75-F86 PolarHBondContact O-N 2.78Å; F86-K88 HydrophobicContact CD1-CB 4.37Å; F86-K88 HydrophobicContact CE1-CB 3.55Å; F86-K88 HydrophobicContact CE1-CD 4.49Å; F86-K88 HydrophobicContact CE1-CG 4.05Å; F86-K88 HydrophobicContact CZ-CB 4.06Å; F86-K88 HydrophobicContact CZ-CG 4.25Å; F86-L93 HydrophobicContact CD2-CB 3.97Å
87	N	97.6	Very high	97.9	Very high	62 Å²	62	63.9 Å²	63.9	33%	0.332	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	96.6	174.4	-175.4	-25.5	0	0	0	109.3	R89 E90 K91 K92	N87-R89 VanDerWaalsContact C-N 3.27Å; N87-R89 PolarHBondContact O-N 2.82Å; N87-R89 WeakPolarHBondContact OD1-CB 3.48Å; N87-R89 PolarHBondContact OD1-N 2.94Å; N87-R89 VanDerWaalsContact OD1-N 3.1Å; N87-E90 HydrophobicContact CB-CB 4.33Å; N87-E90 VanDerWaalsContact ND2-CD 3.31Å; N87-E90 WeakPolarHBondContact ND2-CG 3.27Å; N87-E90 PolarHBondContact ND2-OE1 3.48Å; N87-E90 VanDerWaalsContact ND2-OE1 3.17Å; N87-E90 PolarHBondContact O-N 3.25Å; N87-E90 PolarHBondContact OD1-N 3.07Å; N87-K91 PolarHBondContact O-N 2.96Å; N87-K92 PolarHBondContact N-O 2.79Å; N87-K92 PolarHBondContact O-N 3.45Å
88	K	95.2	Very high	97.9	Very high	114 Å²	114	61.7 Å²	61.7	50%	0.496	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-38.1	179	-165.1	171.2	-178.2	168.3	0	112.9	F86 K91	F86-K88 HydrophobicContact CD1-CB 4.37Å; F86-K88 HydrophobicContact CE1-CB 3.55Å; F86-K88 HydrophobicContact CE1-CD 4.49Å; F86-K88 HydrophobicContact CE1-CG 4.05Å; F86-K88 HydrophobicContact CZ-CB 4.06Å; F86-K88 HydrophobicContact CZ-CG 4.25Å; K88-K91 PolarHBondContact O-N 2.93Å
89	R	95.3	Very high	97.9	Very high	238 Å²	238	60.5 Å²	60.5	90%	0.898	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-41.2	-175.7	-175.2	-179.3	-178.5	-171.1	0.4	111.1	N87 K91	N87-R89 VanDerWaalsContact C-N 3.27Å; N87-R89 PolarHBondContact O-N 2.82Å; N87-R89 WeakPolarHBondContact OD1-CB 3.48Å; N87-R89 PolarHBondContact OD1-N 2.94Å; N87-R89 VanDerWaalsContact OD1-N 3.1Å; R89-K91 VanDerWaalsContact C-N 3.32Å
90	E	97	Very high	97.9	Very high	108 Å²	108	56.1 Å²	56.1	51%	0.505	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.7	177.5	-68.1	-174.2	-149.9	0	0	113.5	N87 K92	N87-E90 HydrophobicContact CB-CB 4.33Å; N87-E90 VanDerWaalsContact ND2-CD 3.31Å; N87-E90 WeakPolarHBondContact ND2-CG 3.27Å; N87-E90 PolarHBondContact ND2-OE1 3.48Å; N87-E90 VanDerWaalsContact ND2-OE1 3.17Å; N87-E90 PolarHBondContact O-N 3.25Å; N87-E90 PolarHBondContact OD1-N 3.07Å; E90-K92 VanDerWaalsContact C-N 3.29Å; E90-K92 HydrophobicContact CB-CB 4.39Å; E90-K92 HydrophobicContact CB-CD 4.09Å; E90-K92 HydrophobicContact CB-CG 4.16Å; E90-K92 PolarHBondContact O-N 2.8Å; E90-K92 IonicContact OE2-NZ 3.1Å; E90-K92 PolarHBondContact OE2-NZ 2.81Å
91	K	96.9	Very high	97.9	Very high	73 Å²	73	56.6 Å²	56.6	32%	0.317	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	48.7	-171.8	-53.4	-177.8	179.5	-178.5	0	112.1	S44 Y45 E46 N87 K88 R89	S44-K91 CarbonylContact C-O 3.59Å; S44-K91 VanDerWaalsContact CA-O 3.26Å; S44-K91 WeakPolarHBondContact CA-O 3.27Å; Y45-K91 HydrophobicContact CD1-CB 4.02Å; Y45-K91 VanDerWaalsContact CD1-O 3.29Å; Y45-K91 WeakPolarHBondContact CD1-O 3.44Å; Y45-K91 HydrophobicContact CD2-CB 4.22Å; Y45-K91 HydrophobicContact CE1-CB 3.77Å; Y45-K91 HydrophobicContact CE2-CB 3.98Å; Y45-K91 HydrophobicContact CE2-CD 4.41Å; Y45-K91 HydrophobicContact CE2-CG 4.1Å; Y45-K91 HydrophobicContact CG-CB 4.23Å; Y45-K91 PolarHBondContact N-O 2.8Å; Y45-K91 WeakPolarHBondContact O-CB 3.43Å; Y45-K91 WeakPolarHBondContact O-CD 3.45Å; E46-K91 PolarHBondContact O-NZ 3.46Å; N87-K91 PolarHBondContact O-N 2.96Å; K88-K91 PolarHBondContact O-N 2.93Å; R89-K91 VanDerWaalsContact C-N 3.32Å
92	K	97.6	Very high	97.8	Very high	103 Å²	103	58.6 Å²	58.6	45%	0.448	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.1	-179.3	-70.1	177.5	-167.5	159.5	0	111	C43 N87 E90	C43-K92 CarbonylContact O-C 3.47Å; C43-K92 WeakPolarHBondContact O-CA 3.48Å; N87-K92 PolarHBondContact N-O 2.79Å; N87-K92 PolarHBondContact O-N 3.45Å; E90-K92 VanDerWaalsContact C-N 3.29Å; E90-K92 HydrophobicContact CB-CB 4.39Å; E90-K92 HydrophobicContact CB-CD 4.09Å; E90-K92 HydrophobicContact CB-CG 4.16Å; E90-K92 PolarHBondContact O-N 2.8Å; E90-K92 IonicContact OE2-NZ 3.1Å; E90-K92 PolarHBondContact OE2-NZ 2.81Å
93	L	97.5	Very high	97.6	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.6	164	66	165.9	0	0	0	110.7	C43 Y45 F53 I84 F85 F86	C43-L93 WeakPolarHBondContact CA-O 3.24Å; C43-L93 HydrophobicContact CB-CD2 3.62Å; C43-L93 HydrophobicContact CB-CG 3.84Å; C43-L93 PolarHBondContact N-O 2.77Å; C43-L93 PolarHBondContact O-N 2.82Å; C43-L93 WeakPolarHBondContact SG-CD2 3.38Å; Y45-L93 HydrophobicContact CD1-CD2 4.22Å; F53-L93 HydrophobicContact CB-CD1 3.64Å; F53-L93 HydrophobicContact CD1-CD1 4.32Å; F53-L93 HydrophobicContact CD1-CD2 4.2Å; F53-L93 HydrophobicContact CG-CD1 4.26Å; I84-L93 HydrophobicContact CG2-CB 4.33Å; I84-L93 HydrophobicContact CG2-CD1 4.29Å; F85-L93 CarbonylContact O-C 3.6Å; F85-L93 WeakPolarHBondContact O-CA 3.49Å; F85-L93 WeakPolarHBondContact O-CB 3.29Å; F86-L93 HydrophobicContact CD2-CB 3.97Å
94	S	98.7	Very high	97.5	Very high	14 Å²	14	60 Å²	60	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.3	172.6	58.5	0	0	0	0	110.3	L41 I84 F85 H96	L41-S94 CarbonylContact O-C 3.58Å; L41-S94 WeakPolarHBondContact O-CA 3.35Å; L41-S94 WeakPolarHBondContact O-CB 3.33Å; I84-S94 CarbonylContact C-O 3.56Å; I84-S94 VanDerWaalsContact CA-O 3.27Å; I84-S94 WeakPolarHBondContact CA-O 3.09Å; F85-S94 PolarHBondContact N-O 2.77Å; F85-S94 PolarHBondContact O-N 2.89Å; S94-H96 PolarHBondContact OG-CD2 2.93Å; S94-H96 VanDerWaalsContact OG-CD2 3.25Å; S94-H96 PolarHBondContact OG-NE2 2.8Å
95	L	98.8	Very high	97.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.4	166	174.6	65.1	0	0	0	108.1	L41 W55 L67 I68 F82 T83 I84 I97 Y108	L41-L95 HydrophobicContact CB-CB 4.37Å; L41-L95 HydrophobicContact CD1-CD2 4.21Å; L41-L95 PolarHBondContact N-O 3.46Å; L41-L95 PolarHBondContact O-N 2.79Å; W55-L95 HydrophobicContact CB-CD2 4.22Å; W55-L95 HydrophobicContact CD2-CB 3.75Å; W55-L95 HydrophobicContact CD2-CD2 3.92Å; W55-L95 HydrophobicContact CD2-CG 4.42Å; W55-L95 HydrophobicContact CE3-CB 4.18Å; W55-L95 HydrophobicContact CE3-CD2 3.9Å; W55-L95 HydrophobicContact CG-CB 4.16Å; W55-L95 HydrophobicContact CG-CD2 4.07Å; W55-L95 HydrophobicContact CH2-CB 4.27Å; W55-L95 HydrophobicContact CZ2-CB 3.87Å; W55-L95 HydrophobicContact CZ3-CB 4.42Å; L67-L95 HydrophobicContact CD2-CD2 3.75Å; I68-L95 HydrophobicContact CG2-CD1 3.82Å; F82-L95 HydrophobicContact CB-CD1 4.24Å; F82-L95 HydrophobicContact CD1-CD1 4.43Å; T83-L95 WeakPolarHBondContact O-CA 3.33Å; I84-L95 HydrophobicContact CG1-CD1 4.39Å; L95-I97 HydrophobicContact CD2-CD1 4.46Å; L95-I97 HydrophobicContact CD2-CG1 4.45Å; L95-I97 HydrophobicContact CG-CG1 4.23Å; L95-Y108 HydrophobicContact CD2-CD1 3.98Å; L95-Y108 HydrophobicContact CD2-CE1 4.43Å
96	H	98.8	Very high	97.4	Very high	40 Å²	40	62 Å²	62	19%	0.185	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.4	174.7	-69.8	-137	0	0	0	108	T38 A39 F82 T83 F85 S94	T38-H96 HydrophobicContact CG2-CB 4.39Å; A39-H96 WeakPolarHBondContact O-CA 3.29Å; F82-H96 CarbonylContact C-O 3.59Å; F82-H96 WeakPolarHBondContact CA-O 3.33Å; T83-H96 PolarHBondContact N-O 2.85Å; T83-H96 PolarHBondContact O-N 2.72Å; F85-H96 AromaticContact CD2-CD2 3.54Å; F85-H96 AromaticContact CD2-CE1 3.92Å; F85-H96 AromaticContact CD2-CG 3.88Å; F85-H96 AromaticContact CD2-NE2 3.58Å; F85-H96 HydrophobicContact CE2-CB 4.26Å; F85-H96 AromaticContact CE2-CD2 3.88Å; F85-H96 AromaticContact CE2-CE1 3.86Å; F85-H96 AromaticContact CE2-CG 3.72Å; F85-H96 AromaticContact CE2-ND1 3.71Å; F85-H96 AromaticContact CE2-NE2 3.98Å; S94-H96 PolarHBondContact OG-CD2 2.93Å; S94-H96 VanDerWaalsContact OG-CD2 3.25Å; S94-H96 PolarHBondContact OG-NE2 2.8Å
97	I	98.6	Very high	97.4	Very high	4 Å²	4	65 Å²	65	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	102.1	174.5	-45.5	178.7	0	0	0	106	T38 A39 R81 F82 L95 S100 Y108	T38-I97 CarbonylContact C-O 3.59Å; T38-I97 VanDerWaalsContact CA-O 3.29Å; T38-I97 WeakPolarHBondContact CA-O 3.47Å; A39-I97 HydrophobicContact CB-CB 4.16Å; A39-I97 HydrophobicContact CB-CG1 4.49Å; A39-I97 PolarHBondContact N-O 2.68Å; A39-I97 PolarHBondContact O-N 3.25Å; R81-I97 WeakPolarHBondContact O-CA 3.01Å; F82-I97 HydrophobicContact CD1-CB 4.41Å; F82-I97 HydrophobicContact CD1-CD1 4.35Å; F82-I97 HydrophobicContact CD1-CG1 3.89Å; F82-I97 HydrophobicContact CD1-CG2 4.06Å; F82-I97 HydrophobicContact CE1-CB 4.42Å; F82-I97 HydrophobicContact CE1-CD1 4.04Å; F82-I97 HydrophobicContact CE1-CG1 4Å; F82-I97 HydrophobicContact CE1-CG2 3.72Å; F82-I97 HydrophobicContact CZ-CG2 4.49Å; L95-I97 HydrophobicContact CD2-CD1 4.46Å; L95-I97 HydrophobicContact CD2-CG1 4.45Å; L95-I97 HydrophobicContact CG-CG1 4.23Å; I97-S100 PolarHBondContact O-OG 3.48Å; I97-Y108 HydrophobicContact CD1-CD1 4.49Å; I97-Y108 HydrophobicContact CD1-CE1 3.73Å; I97-Y108 HydrophobicContact CD1-CE2 4.32Å
98	T	98.5	Very high	97.4	Very high	57 Å²	57	63.3 Å²	63.3	35%	0.35	33%	0.333	S	S	.	.			trans	-81.5	155.4	177.9	57.8	0	0	0	0	110.4	T38 R81 S100	T38-T98 HydrophobicContact CG2-CG2 4.34Å; R81-T98 WeakPolarHBondContact CB-O 3.43Å; R81-T98 WeakPolarHBondContact CD-O 2.99Å; R81-T98 PolarHBondContact NH1-O 2.82Å; R81-T98 PolarHBondContact O-N 2.89Å; R81-T98 PolarHBondContact O-OG1 2.88Å; T98-S100 PolarHBondContact O-N 3.05Å
99	D	98.1	Very high	97.6	Very high	86 Å²	86	61.4 Å²	61.4	46%	0.46	33%	0.325	S	S	.	.	S	Bend	trans	52.1	56.5	178.4	-177.9	50.3	0	0	0	110.6	R81 Q101	R81-D99 PolarHBondContact NH1-O 3.01Å; D99-Q101 WeakPolarHBondContact O-CG 3.31Å; D99-Q101 PolarHBondContact OD2-NE2 2.96Å
100	S	98.1	Very high	97.7	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.028	29%	0.286	C	S	.	.			trans	-59.1	137.6	-174.2	-61.7	0	0	0	0	111.1	E35 G36 E37 I97 T98	E35-S100 CarbonylContact C-O 3.54Å; E35-S100 VanDerWaalsContact CA-O 3.3Å; E35-S100 WeakPolarHBondContact CA-O 3.48Å; E35-S100 WeakPolarHBondContact CG-O 3.37Å; G36-S100 PolarHBondContact N-O 2.74Å; E37-S100 VanDerWaalsContact O-CB 3.26Å; E37-S100 WeakPolarHBondContact O-CB 3.49Å; E37-S100 PolarHBondContact O-N 2.8Å; E37-S100 PolarHBondContact O-OG 3.38Å; I97-S100 PolarHBondContact O-OG 3.48Å; T98-S100 PolarHBondContact O-N 3.05Å
101	Q	97.4	Very high	97.7	Very high	86 Å²	86	47 Å²	47	40%	0.402	28%	0.275	S	S	.	.			trans	-121.5	156.4	-177.1	-59.3	178.6	3.5	0	0	110.4	D99 G103 D104	D99-Q101 WeakPolarHBondContact O-CG 3.31Å; D99-Q101 PolarHBondContact OD2-NE2 2.96Å; Q101-G103 PolarHBondContact O-N 3.3Å; Q101-G103 VanDerWaalsContact O-N 3.09Å; Q101-D104 PolarHBondContact N-OD2 2.88Å; Q101-D104 WeakPolarHBondContact O-CB 2.99Å; Q101-D104 PolarHBondContact O-N 3.05Å
102	P	95.9	Very high	97.6	Very high	95 Å²	95	44.4 Å²	44.4	62%	0.617	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31.1	175.9	-27.9	35.7	0	0	0	113.8	D104 S105	P102-D104 PolarHBondContact O-N 2.99Å; P102-S105 WeakPolarHBondContact O-CB 3.43Å; P102-S105 PolarHBondContact O-N 3.27Å
103	G	95.7	Very high	97.4	Very high	53 Å²	53	43.6 Å²	43.6	55%	0.546	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69	-10.6	175.5	0	0	0	0	0	114.9	F59 Q101 S105	F59-G103 VanDerWaalsContact CE1-O 3.3Å; F59-G103 WeakPolarHBondContact CE1-O 3.44Å; Q101-G103 PolarHBondContact O-N 3.3Å; Q101-G103 VanDerWaalsContact O-N 3.09Å; G103-S105 PolarHBondContact O-N 3.45Å
104	D	96.6	Very high	97.4	Very high	21 Å²	21	45.6 Å²	45.6	11%	0.112	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-82.5	-2.8	174.9	-61	-35.8	0	0	0	112.5	R81 Q101 P102 A106 Y108	R81-D104 IonicContact CZ-OD1 2.73Å; R81-D104 IonicContact CZ-OD2 3.72Å; R81-D104 IonicContact NH1-OD1 2.59Å; R81-D104 IonicContact NH1-OD2 3.76Å; R81-D104 PolarHBondContact NH1-OD2 2.04Å; R81-D104 VanDerWaalsContact NH2-CG 3.33Å; R81-D104 IonicContact NH2-OD1 3.93Å; R81-D104 PolarHBondContact NH2-OD1 3.1Å; R81-D104 IonicContact NH2-OD2 2.75Å; R81-D104 PolarHBondContact NH2-OD2 2.9Å; R81-D104 VanDerWaalsContact NH2-OD2 3.1Å; Q101-D104 PolarHBondContact N-OD2 2.88Å; Q101-D104 WeakPolarHBondContact O-CB 2.99Å; Q101-D104 PolarHBondContact O-N 3.05Å; P102-D104 PolarHBondContact O-N 2.99Å; D104-A106 PolarHBondContact O-N 3.34Å; D104-Y108 WeakPolarHBondContact O-CE2 3.38Å; D104-Y108 PolarHBondContact O-OH 2.82Å
105	S	97.4	Very high	97.3	Very high	98 Å²	98	47.2 Å²	47.2	69%	0.685	30%	0.297	S	S	*	.			trans	-67.5	103	178	-164.9	0	0	0	0	110.8	P102 G103	P102-S105 WeakPolarHBondContact O-CB 3.43Å; P102-S105 PolarHBondContact O-N 3.27Å; G103-S105 PolarHBondContact O-N 3.45Å
106	A	97.8	Very high	97.2	Very high	28 Å²	28	49.8 Å²	49.8	23%	0.231	31%	0.313	C	S	.	.	S	Bend	trans	-158.5	170.5	-174.5	0	0	0	0	0	110.8	Q57 Q58 F59 D104 Y108	Q57-A106 HydrophobicContact CG-CB 3.54Å; Q58-A106 WeakPolarHBondContact O-CB 3.25Å; F59-A106 HydrophobicContact CD1-CB 3.87Å; F59-A106 HydrophobicContact CE1-CB 3.9Å; D104-A106 PolarHBondContact O-N 3.34Å; A106-Y108 HydrophobicContact CB-CD2 4.48Å; A106-Y108 HydrophobicContact CB-CE2 3.91Å; A106-Y108 WeakPolarHBondContact O-CD2 3.2Å
107	T	98.3	Very high	97.1	Very high	77 Å²	77	50.4 Å²	50.4	47%	0.472	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.2	164.5	-55.4	0	0	0	0	109.3	Q57 Q58 F109	Q57-T107 CarbonylContact C-O 3.47Å; Q58-T107 PolarHBondContact N-O 3.45Å; Q58-T107 PolarHBondContact O-N 3.49Å; T107-F109 HydrophobicContact CG2-CD2 4.39Å; T107-F109 HydrophobicContact CG2-CE1 3.82Å; T107-F109 HydrophobicContact CG2-CE2 3.63Å; T107-F109 HydrophobicContact CG2-CZ 3.31Å
108	Y	98.3	Very high	97.1	Very high	26 Å²	26	53.3 Å²	53.3	10%	0.102	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.2	-179.7	-66.6	-96.6	0	0	0	110.5	Q26 L41 Y56 Q57 L67 L95 I97 D104 A106	Q26-Y108 PolarHBondContact NE2-O 2.97Å; L41-Y108 HydrophobicContact CD1-CD1 4.08Å; L41-Y108 HydrophobicContact CD1-CD2 3.8Å; L41-Y108 HydrophobicContact CD1-CG 3.53Å; Y56-Y108 CarbonylContact O-C 3.57Å; Y56-Y108 VanDerWaalsContact O-CA 3.3Å; Y56-Y108 WeakPolarHBondContact O-CA 3.4Å; Q57-Y108 HydrophobicContact CB-CD1 4.29Å; Q57-Y108 HydrophobicContact CB-CE1 4.14Å; Q57-Y108 HydrophobicContact CG-CD1 4.31Å; Q57-Y108 HydrophobicContact CG-CE1 3.83Å; Q57-Y108 PolarHBondContact NE2-OH 3.39Å; L67-Y108 HydrophobicContact CD2-CD1 4.04Å; L67-Y108 HydrophobicContact CD2-CE1 3.82Å; L95-Y108 HydrophobicContact CD2-CD1 3.98Å; L95-Y108 HydrophobicContact CD2-CE1 4.43Å; I97-Y108 HydrophobicContact CD1-CD1 4.49Å; I97-Y108 HydrophobicContact CD1-CE1 3.73Å; I97-Y108 HydrophobicContact CD1-CE2 4.32Å; D104-Y108 WeakPolarHBondContact O-CE2 3.38Å; D104-Y108 PolarHBondContact O-OH 2.82Å; A106-Y108 HydrophobicContact CB-CD2 4.48Å; A106-Y108 HydrophobicContact CB-CE2 3.91Å; A106-Y108 WeakPolarHBondContact O-CD2 3.2Å
109	F	97.8	Very high	97	Very high	73 Å²	73	53.1 Å²	53.1	32%	0.32	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.1	-179.8	-55.5	-84.8	0	0	0	110.8	W55 Y56 Q58 P64 T107	W55-F109 CarbonylContact C-O 3.59Å; W55-F109 VanDerWaalsContact CA-O 3.3Å; W55-F109 WeakPolarHBondContact CA-O 3.16Å; Y56-F109 PolarHBondContact N-O 3.17Å; Y56-F109 PolarHBondContact O-N 3.12Å; Q58-F109 HydrophobicContact CB-CD2 4.44Å; Q58-F109 HydrophobicContact CB-CE2 3.74Å; Q58-F109 VanDerWaalsContact OE1-CZ 3.31Å; P64-F109 HydrophobicContact CB-CD2 4.47Å; P64-F109 HydrophobicContact CG-CE2 4.35Å; T107-F109 HydrophobicContact CG2-CD2 4.39Å; T107-F109 HydrophobicContact CG2-CE1 3.82Å; T107-F109 HydrophobicContact CG2-CE2 3.63Å; T107-F109 HydrophobicContact CG2-CZ 3.31Å
110	C	97.6	Very high	96.9	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137	168.3	179.8	0	0	0	0	108.7	V24 Q26 C43 W55	V24-C110 HydrophobicContact CG1-CB 4.16Å; Q26-C110 VanDerWaalsContact CD-N 3.34Å; Q26-C110 HydrophobicContact CG-CB 3.78Å; C43-C110 HydrophobicContact CB-CB 3.59Å; C43-C110 WeakPolarHBondContact CB-SG 3.04Å; C43-C110 WeakPolarHBondContact SG-CB 3.31Å; C43-C110 CovalentContact SG-SG 2.04Å; C43-C110 PolarHBondContact SG-SG 3.27Å; W55-C110 HydrophobicContact CD2-CB 4.17Å; W55-C110 HydrophobicContact CE3-CB 4.08Å; W55-C110 HydrophobicContact CH2-CB 3.79Å; W55-C110 HydrophobicContact CZ2-CB 3.86Å; W55-C110 HydrophobicContact CZ3-CB 3.89Å
111	A	96.6	Very high	96.8	Very high	34 Å²	34	54.3 Å²	54.3	28%	0.281	35%	0.353	S	S	.	.			trans	-132.6	167	170	0	0	0	0	0	110.9	F53 P54 Y56	F53-A111 WeakPolarHBondContact CA-O 3.26Å; P54-A111 WeakPolarHBondContact CD-O 3.49Å; P54-A111 HydrophobicContact CG-CB 4.12Å; P54-A111 PolarHBondContact O-N 2.98Å; Y56-A111 HydrophobicContact CE2-CB 4.22Å
112	A	95.8	Very high	96.7	Very high	18 Å²	18	51.7 Å²	51.7	15%	0.149	35%	0.349	C	S	.	.			trans	-146	140.3	178.6	0	0	0	0	0	109.9	V24 F50 Y52 F53	V24-A112 HydrophobicContact CG2-CB 3.77Å; F50-A112 HydrophobicContact CB-CB 4.08Å; F50-A112 HydrophobicContact CD2-CB 3.31Å; F50-A112 HydrophobicContact CE2-CB 3.76Å; F50-A112 HydrophobicContact CG-CB 3.84Å; Y52-A112 WeakPolarHBondContact O-CA 3.3Å; F53-A112 HydrophobicContact CD1-CB 3.62Å; F53-A112 HydrophobicContact CE1-CB 3.58Å
113	S	92.9	Very high	96.8	Very high	86 Å²	86	47.7 Å²	47.7	60%	0.601	33%	0.325	S	S	*	.			trans	-151.5	0	177.8	61.6	0	0	0	0	112.1	F50 N51 Y52	F50-S113 CarbonylContact C-O 3.52Å; F50-S113 WeakPolarHBondContact CA-O 3.47Å; N51-S113 PolarHBondContact N-O 3.04Å; Y52-S113 PolarHBondContact N-O 3.47Å; Y52-S113 PolarHBondContact O-N 2.73Å

Retrieved 113 of 113 residues in 44 ms (Link to these results)

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