A0A075B631_MOUSE Loading...

T cell receptor alpha variable 9N-4

AlphaFold DB , UniProt , Accession A0A075B631, Species MOUSE (Mus musculus, Mouse), Gene Trav9n-4, Length 113 aa.

						>A0A075B631_MOUSE|A0A075B631|Trav9n-4
MLLALLPVLGIHFVLRDAQAQSVTQPDARVTVSEGASLQLRCKYSYSATPYLFWYVQYPRQGLQLLLKYYSGDPVVQGVNSFEAEFSKSNSSFHLQKASVHWSDSAVYFCALS
					

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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	47.5	Very low	54.2	Low	224 Å²	224	145.5 Å²	145.5	100%	1.103	83%	0.828	S	S	*	*				0	84.8	0	-74.4	-77.3	-68.2	0	0	108
2	L	40.9	Very low	54.8	Low	172 Å²	172	147.8 Å²	147.8	90%	0.901	83%	0.826	S	S	*	*			trans	-123.7	104	175.5	-149.8	81.6	0	0	0	107.3	A4	L2-A4 PolarHBondContact O-N 2.84Å
3	L	44.3	Very low	55.4	Low	156 Å²	156	150.5 Å²	150.5	82%	0.817	82%	0.824	S	S	*	*			trans	-71.6	115.9	172.6	-83.4	89.1	0	0	0	108.1
4	A	53.4	Low	56.1	Low	92 Å²	92	148.6 Å²	148.6	76%	0.76	82%	0.819	S	S	*	*			trans	-95.3	115.3	170	0	0	0	0	0	109.2	L2	L2-A4 PolarHBondContact O-N 2.84Å
5	L	51.5	Low	56.7	Low	174 Å²	174	149.3 Å²	149.3	91%	0.911	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-71.6	118.9	172.2	-67.8	150.2	0	0	0	108.7
6	L	57.9	Low	56.8	Low	162 Å²	162	154.6 Å²	154.6	85%	0.848	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.5	134.9	175.3	-74.2	164.7	0	0	0	110.3
7	P	57.1	Low	57.1	Low	116 Å²	116	154.8 Å²	154.8	75%	0.753	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-78	142.1	-176.1	32.7	-32.7	0	0	0	111	L9	P7-L9 PolarHBondContact O-N 3.4Å; P7-L9 VanDerWaalsContact O-N 3.08Å
8	V	59.6	Low	57.4	Low	146 Å²	146	151.5 Å²	151.5	89%	0.885	82%	0.823	S	S	*	*			trans	-67.7	104.1	176.9	-178.3	0	0	0	0	108.8	G10	V8-G10 PolarHBondContact O-N 2.93Å; V8-G10 VanDerWaalsContact O-N 3.08Å
9	L	57.1	Low	58.2	Low	165 Å²	165	149.6 Å²	149.6	86%	0.864	81%	0.808	S	S	*	*			trans	-76.3	93.9	174.7	-167.9	71	0	0	0	108.9	P7 I11	P7-L9 PolarHBondContact O-N 3.4Å; P7-L9 VanDerWaalsContact O-N 3.08Å; L9-I11 PolarHBondContact O-N 2.97Å
10	G	61.8	Low	59.5	Low	53 Å²	53	146 Å²	146	55%	0.546	80%	0.8	S	S	.	*			trans	-64.1	118	171	0	0	0	0	0	110.4	V8 H12	V8-G10 PolarHBondContact O-N 2.93Å; V8-G10 VanDerWaalsContact O-N 3.08Å; G10-H12 PolarHBondContact O-N 3.46Å
11	I	65.4	Low	61.1	Low	140 Å²	140	142.8 Å²	142.8	72%	0.718	78%	0.779	S	S	*	*			trans	-70.4	96.7	173.9	-62	168.6	0	0	0	107.5	L9 F13	L9-I11 PolarHBondContact O-N 2.97Å; I11-F13 HydrophobicContact CG2-CD2 3.72Å; I11-F13 HydrophobicContact CG2-CE2 3.79Å; I11-F13 PolarHBondContact O-N 2.89Å; I11-F13 VanDerWaalsContact O-N 3.07Å
12	H	60.7	Low	63.5	Low	173 Å²	173	134.8 Å²	134.8	80%	0.801	75%	0.745	S	S	*	*			trans	-70.3	98.3	162.4	-81.1	-72.6	0	0	0	108	G10 V14	G10-H12 PolarHBondContact O-N 3.46Å; H12-V14 VanDerWaalsContact C-N 3.31Å; H12-V14 PolarHBondContact O-N 3Å
13	F	62.8	Low	66.2	Low	184 Å²	184	128.9 Å²	128.9	81%	0.807	72%	0.716	S	S	*	*			trans	-62.1	96.5	163	-91.9	-90.4	0	0	0	108	I11 L15	I11-F13 HydrophobicContact CG2-CD2 3.72Å; I11-F13 HydrophobicContact CG2-CE2 3.79Å; I11-F13 PolarHBondContact O-N 2.89Å; I11-F13 VanDerWaalsContact O-N 3.07Å; F13-L15 PolarHBondContact O-N 3.47Å; F13-L15 VanDerWaalsContact O-N 3.07Å
14	V	65.6	Low	68.8	Low	124 Å²	124	125.2 Å²	125.2	75%	0.752	70%	0.7	S	S	*	*			trans	-72.9	97.9	165.3	-170	0	0	0	0	105.9	H12 R16	H12-V14 VanDerWaalsContact C-N 3.31Å; H12-V14 PolarHBondContact O-N 3Å; V14-R16 VanDerWaalsContact C-N 3.29Å; V14-R16 PolarHBondContact O-N 3.39Å
15	L	64.4	Low	70.9	Confident	159 Å²	159	124.1 Å²	124.1	83%	0.832	68%	0.68	S	S	*	*			trans	-59.4	99.3	163.5	-86.6	156	0	0	0	106.3	F13 D17	F13-L15 PolarHBondContact O-N 3.47Å; F13-L15 VanDerWaalsContact O-N 3.07Å; L15-D17 PolarHBondContact O-N 3.45Å
16	R	59.1	Low	73.1	Confident	233 Å²	233	118.9 Å²	118.9	88%	0.879	66%	0.656	S	S	*	*			trans	-59.9	111	162.5	-89.4	-176	170.1	-165.1	-1.8	105.7	V14 A18	V14-R16 VanDerWaalsContact C-N 3.29Å; V14-R16 PolarHBondContact O-N 3.39Å; R16-A18 PolarHBondContact O-N 3.09Å
17	D	61.1	Low	75	Confident	159 Å²	159	114.1 Å²	114.1	85%	0.85	63%	0.631	S	S	*	*			trans	-53.1	107	169	-99.4	-26.6	0	0	0	107.7	L15 Q19	L15-D17 PolarHBondContact O-N 3.45Å; D17-Q19 VanDerWaalsContact C-N 3.28Å; D17-Q19 PolarHBondContact O-N 3.3Å
18	A	63.8	Low	77	Confident	95 Å²	95	113.6 Å²	113.6	79%	0.785	64%	0.637	S	S	*	*			trans	-71.1	95	166.6	0	0	0	0	0	105.5	R16 A20	R16-A18 PolarHBondContact O-N 3.09Å; A18-A20 PolarHBondContact O-N 3.29Å
19	Q	71.2	Confident	78.8	Confident	116 Å²	116	117.7 Å²	117.7	54%	0.542	64%	0.636	S	S	.	*			trans	-64	101.6	177.2	-174.5	177.8	-16.4	0	0	108.4	D17 S45	D17-Q19 VanDerWaalsContact C-N 3.28Å; D17-Q19 PolarHBondContact O-N 3.3Å; Q19-S45 PolarHBondContact NE2-OG 3.18Å
20	A	85.4	Confident	80.7	Confident	77 Å²	77	113 Å²	113	64%	0.636	61%	0.614	S	S	*	*			trans	-65.9	145.7	174.4	0	0	0	0	0	109.9	A18	A18-A20 PolarHBondContact O-N 3.29Å
21	Q	93.1	Very high	82.5	Confident	78 Å²	78	117.3 Å²	117.3	36%	0.364	63%	0.63	S	S	.	*			trans	-65.4	139.2	166.8	-67.5	-173.8	6.3	0	0	109.5	S45 Y46 L112 S113	Q21-S45 WeakPolarHBondContact CA-O 3.48Å; Q21-Y46 HydrophobicContact CG-CD1 4.48Å; Q21-Y46 HydrophobicContact CG-CD2 3.37Å; Q21-Y46 HydrophobicContact CG-CE2 3.57Å; Q21-Y46 HydrophobicContact CG-CG 3.88Å; Q21-Y46 PolarHBondContact NE2-OH 3.24Å; Q21-Y46 VanDerWaalsContact NE2-OH 3.17Å; Q21-L112 HydrophobicContact CB-CD2 3.75Å; Q21-L112 HydrophobicContact CG-CD2 4.17Å; Q21-S113 PolarHBondContact NE2-OXT 3.4Å
22	S	96.8	Very high	84	Confident	56 Å²	56	113.3 Å²	113.3	39%	0.392	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.9	154.7	173.4	71.9	0	0	0	0	112.9	Y44 S45	S22-Y44 CarbonylContact O-C 3.48Å; S22-Y44 WeakPolarHBondContact O-CA 3.36Å; S22-S45 PolarHBondContact N-O 2.96Å; S22-S45 PolarHBondContact O-N 2.85Å; S22-S45 VanDerWaalsContact OG-CB 3.27Å; S22-S45 WeakPolarHBondContact OG-CB 3.49Å
23	V	98.2	Very high	85.8	Confident	48 Å²	48	109.5 Å²	109.5	29%	0.291	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.5	136.3	172.3	176.4	0	0	0	0	108.5	K43 C110 L112	V23-K43 CarbonylContact C-O 3.51Å; V23-K43 WeakPolarHBondContact CA-O 3.26Å; V23-C110 HydrophobicContact CG1-CB 3.83Å; V23-L112 HydrophobicContact CG2-CB 3.35Å; V23-L112 HydrophobicContact CG2-CD2 4.39Å
24	T	98.3	Very high	87.5	Confident	80 Å²	80	106.3 Å²	106.3	49%	0.491	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.3	119.4	178.8	-56.7	0	0	0	0	109.8	K43	T24-K43 PolarHBondContact N-O 2.85Å; T24-K43 PolarHBondContact O-N 2.84Å
25	Q	98.7	Very high	89	Confident	69 Å²	69	102.6 Å²	102.6	32%	0.322	58%	0.579	S	S	.	*			trans	-107.5	103.9	168.1	-70.1	-179.2	-108.8	0	0	108.3	D27 Y108 C110	Q25-D27 VanDerWaalsContact C-N 3.33Å; Q25-D27 PolarHBondContact O-N 2.8Å; Q25-Y108 PolarHBondContact NE2-O 2.91Å; Q25-C110 HydrophobicContact CG-CB 4.03Å
26	P	97.9	Very high	90.6	Very high	63 Å²	63	96.8 Å²	96.8	41%	0.409	55%	0.554	S	S	.	*			trans	-73.3	-22.6	-171.7	28.6	-36.5	0	0	0	113.9	R41	P26-R41 HydrophobicContact CG-CB 3.71Å; P26-R41 VanDerWaalsContact CG-NH1 3.33Å
27	D	97.9	Very high	92.5	Very high	62 Å²	62	90.1 Å²	90.1	33%	0.332	54%	0.543	S	S	.	.			trans	-100.5	105.5	-178.6	-55.5	-60.1	0	0	0	110	Q25 R29 V30 R41	Q25-D27 VanDerWaalsContact C-N 3.33Å; Q25-D27 PolarHBondContact O-N 2.8Å; D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 2.87Å; D27-V30 HydrophobicContact CB-CG2 3.71Å; D27-R41 IonicContact OD1-CZ 3.72Å; D27-R41 IonicContact OD1-NE 3.95Å; D27-R41 IonicContact OD1-NH2 2.7Å; D27-R41 PolarHBondContact OD1-NH2 2.8Å; D27-R41 IonicContact OD2-CZ 3.21Å; D27-R41 IonicContact OD2-NE 2.76Å; D27-R41 PolarHBondContact OD2-NE 2.81Å; D27-R41 IonicContact OD2-NH2 2.93Å; D27-R41 PolarHBondContact OD2-NH2 2.86Å
28	A	97.3	Very high	94.3	Very high	105 Å²	105	83.4 Å²	83.4	87%	0.868	51%	0.507	S	S	*	.	S	Bend	trans	-69.9	-27.1	177.3	0	0	0	0	0	112.6
29	R	97.9	Very high	95.9	Very high	233 Å²	233	83.5 Å²	83.5	88%	0.879	49%	0.492	S	S	*	.			trans	-146.6	135.4	178.5	-67.2	-175.7	176.6	139.2	0	109.6	D27	D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 2.87Å
30	V	98.3	Very high	97.2	Very high	67 Å²	67	78.9 Å²	78.9	41%	0.406	47%	0.47	S	S	.	.			trans	-127.7	124.3	173.7	179.6	0	0	0	0	107.5	D27 L38 L40	D27-V30 HydrophobicContact CB-CG2 3.71Å; V30-L38 HydrophobicContact CG1-CD1 3.75Å; V30-L40 HydrophobicContact CB-CD2 4Å; V30-L40 HydrophobicContact CG1-CD2 4.35Å; V30-L40 HydrophobicContact CG2-CD2 3.69Å
31	T	98	Very high	97.8	Very high	143 Å²	143	80 Å²	80	88%	0.877	46%	0.458	S	S	*	.			trans	-110.2	127.7	174	-54.9	0	0	0	0	107.9
32	V	97.7	Very high	98.1	Very high	56 Å²	56	76.3 Å²	76.3	34%	0.339	44%	0.441	S	S	.	.			trans	-138.6	143.6	-176.7	57.6	0	0	0	0	108.9	A36 L38 V100	V32-A36 HydrophobicContact CG2-CB 3.71Å; V32-L38 HydrophobicContact CG1-CD1 4.23Å; V32-V100 HydrophobicContact CB-CG2 4.49Å; V32-V100 HydrophobicContact CG1-CG1 4.38Å; V32-V100 HydrophobicContact CG1-CG2 3.78Å; V32-V100 HydrophobicContact CG2-CG2 3.93Å
33	S	98.1	Very high	98.2	Very high	93 Å²	93	77.5 Å²	77.5	65%	0.65	44%	0.439	S	S	*	.			trans	-75.4	145.8	175.5	-59.7	0	0	0	0	110.7	G35 A36 V100	S33-G35 PolarHBondContact O-N 3.02Å; S33-A36 VanDerWaalsContact O-CB 3.29Å; S33-A36 WeakPolarHBondContact O-CB 3.48Å; S33-A36 PolarHBondContact O-N 3.18Å; S33-A36 VanDerWaalsContact O-N 3.09Å; S33-V100 WeakPolarHBondContact O-CG2 3.39Å
34	E	98	Very high	98.2	Very high	117 Å²	117	75.9 Å²	75.9	55%	0.547	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	138.5	171.9	-177	158.3	-122.2	0	0	111.3	A36 H101 W102	E34-A36 VanDerWaalsContact C-N 3.27Å; E34-A36 PolarHBondContact O-N 3.26Å; E34-H101 WeakPolarHBondContact OE1-CA 3.41Å; E34-H101 IonicContact OE1-CD2 2.93Å; E34-H101 PolarHBondContact OE1-CD2 2.84Å; E34-H101 IonicContact OE1-CG 3.46Å; E34-H101 IonicContact OE1-NE2 3.62Å; E34-W102 PolarHBondContact OE1-N 3Å
35	G	98.1	Very high	98.1	Very high	46 Å²	46	74.2 Å²	74.2	47%	0.474	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-14.6	-175	0	0	0	0	0	115.4	S33 S99 V100	S33-G35 PolarHBondContact O-N 3.02Å; G35-S99 WeakPolarHBondContact CA-OG 3.01Å; G35-V100 PolarHBondContact N-O 2.88Å
36	A	98.4	Very high	97.9	Very high	37 Å²	37	74.1 Å²	74.1	31%	0.306	42%	0.416	S	S	.	.	S	Bend	trans	-80.6	161.6	176.4	0	0	0	0	0	112.1	V32 S33 E34 S99 V100	V32-A36 HydrophobicContact CG2-CB 3.71Å; S33-A36 VanDerWaalsContact O-CB 3.29Å; S33-A36 WeakPolarHBondContact O-CB 3.48Å; S33-A36 PolarHBondContact O-N 3.18Å; S33-A36 VanDerWaalsContact O-N 3.09Å; E34-A36 VanDerWaalsContact C-N 3.27Å; E34-A36 PolarHBondContact O-N 3.26Å; A36-S99 WeakPolarHBondContact O-CA 3.34Å; A36-V100 WeakPolarHBondContact O-CG2 3.42Å; A36-V100 PolarHBondContact O-N 3.36Å
37	S	98.1	Very high	97.4	Very high	92 Å²	92	75.5 Å²	75.5	64%	0.643	43%	0.428	S	S	*	.			trans	-77.1	141.8	173.5	59.6	0	0	0	0	111.6	K97 A98	S37-K97 CarbonylContact C-O 3.58Å; S37-K97 WeakPolarHBondContact CA-O 3.19Å; S37-A98 VanDerWaalsContact CA-O 3.26Å; S37-A98 WeakPolarHBondContact CA-O 3.43Å; S37-A98 PolarHBondContact N-O 2.78Å
38	L	98.2	Very high	97.1	Very high	19 Å²	19	75 Å²	75	10%	0.099	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.2	175.9	173.3	67.4	0	0	0	110.4	V30 V32 L40 F82 Q96 K97 V100	V30-L38 HydrophobicContact CG1-CD1 3.75Å; V32-L38 HydrophobicContact CG1-CD1 4.23Å; L38-L40 HydrophobicContact CD1-CD2 3.73Å; L38-L40 HydrophobicContact CD1-CG 4.2Å; L38-L40 HydrophobicContact CD2-CG 4.28Å; L38-L40 HydrophobicContact CG-CD2 4.32Å; L38-L40 HydrophobicContact CG-CG 4.24Å; L38-F82 HydrophobicContact CD2-CE1 4.2Å; L38-Q96 CarbonylContact O-C 3.52Å; L38-Q96 VanDerWaalsContact O-CA 3.31Å; L38-Q96 WeakPolarHBondContact O-CA 3.48Å; L38-K97 HydrophobicContact CB-CB 4.47Å; L38-K97 PolarHBondContact N-O 3.03Å; L38-K97 PolarHBondContact O-N 2.03Å; L38-V100 HydrophobicContact CB-CG1 3.42Å; L38-V100 VanDerWaalsContact CB-CG1 3.42Å; L38-V100 HydrophobicContact CD2-CG1 3.87Å; L38-V100 HydrophobicContact CG-CG1 4.26Å
39	Q	98.4	Very high	97	Very high	97 Å²	97	74.6 Å²	74.6	45%	0.453	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.4	163.9	-175.8	-178.5	-80.2	0	0	109.8	H94 L95 Q96	Q39-H94 HydrophobicContact CG-CB 4.29Å; Q39-L95 CarbonylContact C-O 3.54Å; Q39-L95 VanDerWaalsContact CA-O 3.28Å; Q39-L95 WeakPolarHBondContact CA-O 3.49Å; Q39-Q96 HydrophobicContact CB-CG 4.37Å; Q39-Q96 HydrophobicContact CG-CG 4.01Å
40	L	98.7	Very high	96.9	Very high	19 Å²	19	63.7 Å²	63.7	10%	0.099	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	170.9	-57.1	-176.9	0	0	0	109.9	V30 L38 W54 H94 L95 Y108	V30-L40 HydrophobicContact CB-CD2 4Å; V30-L40 HydrophobicContact CG1-CD2 4.35Å; V30-L40 HydrophobicContact CG2-CD2 3.69Å; L38-L40 HydrophobicContact CD1-CD2 3.73Å; L38-L40 HydrophobicContact CD1-CG 4.2Å; L38-L40 HydrophobicContact CD2-CG 4.28Å; L38-L40 HydrophobicContact CG-CD2 4.32Å; L38-L40 HydrophobicContact CG-CG 4.24Å; L40-W54 HydrophobicContact CB-CH2 3.81Å; L40-W54 HydrophobicContact CB-CZ2 4.38Å; L40-W54 HydrophobicContact CB-CZ3 4.39Å; L40-W54 HydrophobicContact CD1-CZ3 4.4Å; L40-H94 WeakPolarHBondContact O-CA 3.38Å; L40-L95 HydrophobicContact CB-CB 4.24Å; L40-L95 HydrophobicContact CD1-CD2 4.17Å; L40-L95 PolarHBondContact N-O 2.81Å; L40-L95 PolarHBondContact O-N 2.97Å; L40-Y108 HydrophobicContact CD1-CD1 4.24Å; L40-Y108 HydrophobicContact CD1-CD2 3.76Å; L40-Y108 HydrophobicContact CD1-CG 3.58Å
41	R	98.7	Very high	96.9	Very high	100 Å²	100	65.7 Å²	65.7	38%	0.377	38%	0.379	S	S	.	.			trans	-82.4	134.7	-176.4	-64.6	-178.3	-64.2	145	-5.7	110.8	P26 D27	P26-R41 HydrophobicContact CG-CB 3.71Å; P26-R41 VanDerWaalsContact CG-NH1 3.33Å; D27-R41 IonicContact OD1-CZ 3.72Å; D27-R41 IonicContact OD1-NE 3.95Å; D27-R41 IonicContact OD1-NH2 2.7Å; D27-R41 PolarHBondContact OD1-NH2 2.8Å; D27-R41 IonicContact OD2-CZ 3.21Å; D27-R41 IonicContact OD2-NE 2.76Å; D27-R41 PolarHBondContact OD2-NE 2.81Å; D27-R41 IonicContact OD2-NH2 2.93Å; D27-R41 PolarHBondContact OD2-NH2 2.86Å
42	C	98.7	Very high	96.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.337	C	S	.	.			trans	-137.1	127	169.1	174.4	0	0	0	0	109.5	W54 S92 F93 H94 C110	C42-W54 HydrophobicContact CB-CH2 4.07Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; C42-S92 WeakPolarHBondContact O-CA 3.39Å; C42-S92 WeakPolarHBondContact O-CB 3.43Å; C42-F93 WeakPolarHBondContact CB-O 3.46Å; C42-F93 PolarHBondContact O-N 3.13Å; C42-F93 VanDerWaalsContact O-N 3.11Å; C42-H94 PolarHBondContact N-ND1 3.14Å; C42-H94 VanDerWaalsContact N-ND1 3.12Å; C42-H94 PolarHBondContact O-CE1 2.82Å; C42-H94 PolarHBondContact O-ND1 3Å; C42-C110 HydrophobicContact CB-CB 3.54Å; C42-C110 WeakPolarHBondContact CB-SG 3.34Å; C42-C110 WeakPolarHBondContact SG-CB 3.2Å; C42-C110 CovalentContact SG-SG 2.03Å; C42-C110 PolarHBondContact SG-SG 3.31Å
43	K	98.5	Very high	97	Very high	81 Å²	81	57.5 Å²	57.5	35%	0.352	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.5	169.8	-69.7	-68.8	-175.8	-175.6	0	108.7	V23 T24 N90 S91	V23-K43 CarbonylContact C-O 3.51Å; V23-K43 WeakPolarHBondContact CA-O 3.26Å; T24-K43 PolarHBondContact N-O 2.85Å; T24-K43 PolarHBondContact O-N 2.84Å; K43-N90 WeakPolarHBondContact CD-O 3.4Å; K43-N90 PolarHBondContact NZ-O 2.93Å; K43-S91 CarbonylContact C-O 3.57Å; K43-S91 VanDerWaalsContact CA-O 3.3Å; K43-S91 WeakPolarHBondContact CA-O 3.46Å; K43-S91 WeakPolarHBondContact CD-O 3.48Å
44	Y	97.6	Very high	97	Very high	15 Å²	15	53 Å²	53	6%	0.059	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.9	174.8	72.3	-94.3	0	0	0	111	S22 P50 L52 F86 S91	S22-Y44 CarbonylContact O-C 3.48Å; S22-Y44 WeakPolarHBondContact O-CA 3.36Å; Y44-P50 HydrophobicContact CD2-CB 4.35Å; Y44-P50 HydrophobicContact CE1-CG 4.4Å; Y44-P50 HydrophobicContact CE2-CB 4.07Å; Y44-P50 HydrophobicContact CE2-CG 3.81Å; Y44-L52 HydrophobicContact CD1-CD1 4Å; Y44-L52 HydrophobicContact CD1-CD2 3.83Å; Y44-L52 HydrophobicContact CE1-CD1 3.82Å; Y44-L52 HydrophobicContact CE1-CD2 4.49Å; Y44-L52 HydrophobicContact CG-CD2 4.13Å; Y44-F86 HydrophobicContact CE1-CE2 4.18Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.42Å; Y44-S91 VanDerWaalsContact CD1-C 3.48Å; Y44-S91 WeakPolarHBondContact CD1-O 3.37Å; Y44-S91 PolarHBondContact N-O 3.12Å; Y44-S91 WeakPolarHBondContact O-CB 3.29Å
45	S	96.4	Very high	97	Very high	44 Å²	44	51.1 Å²	51.1	31%	0.308	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.3	167.3	-174.9	0	0	0	0	107.9	Q19 Q21 S22	Q19-S45 PolarHBondContact NE2-OG 3.18Å; Q21-S45 WeakPolarHBondContact CA-O 3.48Å; S22-S45 PolarHBondContact N-O 2.96Å; S22-S45 PolarHBondContact O-N 2.85Å; S22-S45 VanDerWaalsContact OG-CB 3.27Å; S22-S45 WeakPolarHBondContact OG-CB 3.49Å
46	Y	94.4	Very high	97	Very high	67 Å²	67	49.1 Å²	49.1	26%	0.263	26%	0.263	S	S	.	.			trans	-153.6	133.6	173.5	-170.4	-155.4	0	0	0	109.9	Q21 A48 P50 L112	Q21-Y46 HydrophobicContact CG-CD1 4.48Å; Q21-Y46 HydrophobicContact CG-CD2 3.37Å; Q21-Y46 HydrophobicContact CG-CE2 3.57Å; Q21-Y46 HydrophobicContact CG-CG 3.88Å; Q21-Y46 PolarHBondContact NE2-OH 3.24Å; Q21-Y46 VanDerWaalsContact NE2-OH 3.17Å; Y46-A48 HydrophobicContact CD1-CB 4.35Å; Y46-A48 HydrophobicContact CD2-CB 4.41Å; Y46-A48 HydrophobicContact CE1-CB 3.77Å; Y46-A48 HydrophobicContact CE2-CB 3.83Å; Y46-A48 VanDerWaalsContact CZ-CB 3.47Å; Y46-P50 HydrophobicContact CD1-CB 4Å; Y46-L112 HydrophobicContact CD1-CD1 4.04Å; Y46-L112 HydrophobicContact CG-CD2 4.33Å
47	S	88.9	Confident	97	Very high	93 Å²	93	50.8 Å²	50.8	65%	0.65	26%	0.264	S	S	*	.	S	Bend	trans	-81.5	-15.9	-178.2	54.1	0	0	0	0	113.7
48	A	91.6	Very high	97	Very high	50 Å²	50	48.4 Å²	48.4	41%	0.413	24%	0.241	S	C	.	.	S	Bend	trans	-102.9	-165.8	178	0	0	0	0	0	112	Y46 P50	Y46-A48 HydrophobicContact CD1-CB 4.35Å; Y46-A48 HydrophobicContact CD2-CB 4.41Å; Y46-A48 HydrophobicContact CE1-CB 3.77Å; Y46-A48 HydrophobicContact CE2-CB 3.83Å; Y46-A48 VanDerWaalsContact CZ-CB 3.47Å; A48-P50 VanDerWaalsContact O-CD 3.29Å; A48-P50 WeakPolarHBondContact O-CD 3.32Å
49	T	94	Very high	97	Very high	98 Å²	98	51.9 Å²	51.9	60%	0.601	27%	0.265	S	S	*	.			trans	-77.7	113.5	176	-58.1	0	0	0	0	108.9
50	P	96.4	Very high	96.9	Very high	4 Å²	4	59 Å²	59	3%	0.026	29%	0.288	C	S	.	.			trans	-79.4	142.3	-176.1	34	-36.4	0	0	0	111.7	Y44 Y46 A48 L52 F86 L112	Y44-P50 HydrophobicContact CD2-CB 4.35Å; Y44-P50 HydrophobicContact CE1-CG 4.4Å; Y44-P50 HydrophobicContact CE2-CB 4.07Å; Y44-P50 HydrophobicContact CE2-CG 3.81Å; Y46-P50 HydrophobicContact CD1-CB 4Å; A48-P50 VanDerWaalsContact O-CD 3.29Å; A48-P50 WeakPolarHBondContact O-CD 3.32Å; P50-L52 HydrophobicContact CB-CD1 4.2Å; P50-L52 HydrophobicContact CB-CG 4.12Å; P50-L52 HydrophobicContact CG-CD1 4.06Å; P50-F86 HydrophobicContact CG-CE2 3.7Å; P50-F86 HydrophobicContact CG-CZ 4.17Å; P50-L112 HydrophobicContact CB-CD1 3.27Å
51	Y	97.8	Very high	96.8	Very high	108 Å²	108	62.6 Å²	62.6	42%	0.424	30%	0.304	S	S	.	.			trans	-99.1	126.4	157.8	-59.9	-23.5	0	0	0	108.7	F53 Y69 Y70 L112 S113	Y51-F53 WeakPolarHBondContact O-CE2 3.47Å; Y51-Y69 WeakPolarHBondContact CA-O 3.22Å; Y51-Y70 AromaticContact CD1-CD1 3.72Å; Y51-Y70 HydrophobicContact CD1-CD1 3.72Å; Y51-Y70 HydrophobicContact CD1-CG 4.47Å; Y51-Y70 AromaticContact CD2-CD1 3.91Å; Y51-Y70 HydrophobicContact CD2-CD1 3.91Å; Y51-Y70 HydrophobicContact CD2-CE1 4.17Å; Y51-Y70 HydrophobicContact CE1-CD1 4.16Å; Y51-Y70 HydrophobicContact CE2-CD1 4.33Å; Y51-Y70 AromaticContact CG-CD1 3.59Å; Y51-Y70 HydrophobicContact CG-CD1 3.59Å; Y51-Y70 HydrophobicContact CG-CE1 4.15Å; Y51-L112 CarbonylContact O-C 3.57Å; Y51-L112 WeakPolarHBondContact O-CA 3.05Å; Y51-S113 PolarHBondContact N-O 3.08Å; Y51-S113 PolarHBondContact O-N 2.72Å
52	L	98.5	Very high	96.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.6	-169.9	-71.2	155.3	0	0	0	110.6	Y44 P50 K68 Y69 F86 F93 A111 L112	Y44-L52 HydrophobicContact CD1-CD1 4Å; Y44-L52 HydrophobicContact CD1-CD2 3.83Å; Y44-L52 HydrophobicContact CE1-CD1 3.82Å; Y44-L52 HydrophobicContact CE1-CD2 4.49Å; Y44-L52 HydrophobicContact CG-CD2 4.13Å; P50-L52 HydrophobicContact CB-CD1 4.2Å; P50-L52 HydrophobicContact CB-CG 4.12Å; P50-L52 HydrophobicContact CG-CD1 4.06Å; L52-K68 CarbonylContact O-C 3.54Å; L52-K68 VanDerWaalsContact O-CA 3.25Å; L52-K68 WeakPolarHBondContact O-CA 3.38Å; L52-Y69 PolarHBondContact N-O 3.38Å; L52-Y69 PolarHBondContact O-N 2.83Å; L52-F86 HydrophobicContact CD1-CD2 3.49Å; L52-F86 VanDerWaalsContact CD1-CD2 3.49Å; L52-F86 HydrophobicContact CD1-CE2 3.86Å; L52-F93 HydrophobicContact CB-CB 4.38Å; L52-F93 HydrophobicContact CB-CD1 3.55Å; L52-F93 HydrophobicContact CB-CD2 4.36Å; L52-F93 HydrophobicContact CB-CE1 3.75Å; L52-F93 HydrophobicContact CB-CG 3.86Å; L52-F93 HydrophobicContact CB-CZ 4.25Å; L52-F93 HydrophobicContact CD1-CB 3.97Å; L52-F93 HydrophobicContact CD1-CD2 4.34Å; L52-F93 HydrophobicContact CD1-CG 4.08Å; L52-F93 HydrophobicContact CD2-CB 4.29Å; L52-F93 HydrophobicContact CG-CB 4.44Å; L52-F93 HydrophobicContact CG-CD1 4.46Å; L52-F93 HydrophobicContact CG-CG 4.41Å; L52-A111 WeakPolarHBondContact CA-O 3.27Å; L52-L112 HydrophobicContact CD2-CB 4.36Å; L52-L112 HydrophobicContact CD2-CD1 4.02Å; L52-L112 HydrophobicContact CG-CD1 4.46Å
53	F	98.6	Very high	96.7	Very high	27 Å²	27	65 Å²	65	12%	0.118	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.2	-173.6	-48.9	-96.7	0	0	0	109.9	Y51 Y55 L65 K68 Y70 C110 A111	Y51-F53 WeakPolarHBondContact O-CE2 3.47Å; F53-Y55 HydrophobicContact CB-CD2 4.04Å; F53-Y55 HydrophobicContact CB-CE2 3.7Å; F53-Y55 HydrophobicContact CG-CE2 4.24Å; F53-L65 HydrophobicContact CB-CD1 4.35Å; F53-L65 HydrophobicContact CD1-CD1 4.08Å; F53-K68 HydrophobicContact CD1-CB 3.57Å; F53-K68 HydrophobicContact CD1-CD 4.5Å; F53-K68 HydrophobicContact CE1-CB 3.95Å; F53-K68 HydrophobicContact CE1-CD 4.3Å; F53-K68 HydrophobicContact CG-CB 4.45Å; F53-Y70 HydrophobicContact CE1-CE1 4.02Å; F53-Y70 AromaticContact CZ-CE1 3.92Å; F53-Y70 HydrophobicContact CZ-CE1 3.92Å; F53-C110 WeakPolarHBondContact O-CA 3.3Å; F53-A111 HydrophobicContact CB-CB 4.31Å; F53-A111 HydrophobicContact CD2-CB 4.49Å; F53-A111 PolarHBondContact N-O 3.08Å; F53-A111 PolarHBondContact O-N 3.46Å
54	W	98.8	Very high	96.7	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.8	158.8	-81.8	96.5	0	0	0	109	L40 C42 L66 L67 F93 L95 F109 C110	L40-W54 HydrophobicContact CB-CH2 3.81Å; L40-W54 HydrophobicContact CB-CZ2 4.38Å; L40-W54 HydrophobicContact CB-CZ3 4.39Å; L40-W54 HydrophobicContact CD1-CZ3 4.4Å; C42-W54 HydrophobicContact CB-CH2 4.07Å; C42-W54 HydrophobicContact CB-CZ2 3.44Å; C42-W54 VanDerWaalsContact CB-CZ2 3.44Å; W54-L66 HydrophobicContact CB-CB 4.28Å; W54-L66 HydrophobicContact CB-CD2 4.35Å; W54-L66 VanDerWaalsContact O-CB 3.31Å; W54-L66 WeakPolarHBondContact O-CB 3.4Å; W54-L66 PolarHBondContact O-N 3.3Å; W54-L67 HydrophobicContact CB-CD1 3.92Å; W54-L67 HydrophobicContact CB-CG 4.19Å; W54-L67 HydrophobicContact CG-CD1 4.2Å; W54-L67 PolarHBondContact N-O 2.98Å; W54-L67 PolarHBondContact O-N 3.2Å; W54-F93 AromaticContact CD1-CD1 3.49Å; W54-F93 VanDerWaalsContact CD1-CD1 3.49Å; W54-F93 AromaticContact CD1-CE1 3.5Å; W54-F93 VanDerWaalsContact CD1-CE1 3.5Å; W54-F93 AromaticContact NE1-CD1 3.53Å; W54-F93 PolarHBondContact NE1-O 2.88Å; W54-L95 HydrophobicContact CB-CD1 4.2Å; W54-L95 HydrophobicContact CD2-CB 3.85Å; W54-L95 HydrophobicContact CD2-CD1 4.35Å; W54-L95 HydrophobicContact CD2-CD2 4.07Å; W54-L95 HydrophobicContact CD2-CG 4.33Å; W54-L95 VanDerWaalsContact CE2-CB 3.49Å; W54-L95 HydrophobicContact CE3-CB 4.41Å; W54-L95 HydrophobicContact CE3-CD2 4.08Å; W54-L95 HydrophobicContact CG-CB 4.2Å; W54-L95 HydrophobicContact CG-CD1 3.89Å; W54-L95 HydrophobicContact CG-CD2 4.33Å; W54-L95 HydrophobicContact CG-CG 4.39Å; W54-L95 HydrophobicContact CH2-CB 4.28Å; W54-L95 HydrophobicContact CZ2-CB 3.71Å; W54-F109 CarbonylContact C-O 3.52Å; W54-F109 WeakPolarHBondContact CA-O 3.3Å; W54-C110 HydrophobicContact CD2-CB 4.16Å; W54-C110 HydrophobicContact CE3-CB 4.14Å; W54-C110 HydrophobicContact CH2-CB 3.86Å; W54-C110 HydrophobicContact CZ2-CB 3.86Å; W54-C110 HydrophobicContact CZ3-CB 3.99Å
55	Y	98.6	Very high	96.8	Very high	77 Å²	77	67.8 Å²	67.8	30%	0.302	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	149.6	170.1	-76.4	-97.2	0	0	0	109.6	F53 L63 Q64 L65 Y108 F109	F53-Y55 HydrophobicContact CB-CD2 4.04Å; F53-Y55 HydrophobicContact CB-CE2 3.7Å; F53-Y55 HydrophobicContact CG-CE2 4.24Å; Y55-L63 HydrophobicContact CD1-CB 4Å; Y55-Q64 CarbonylContact C-O 3.59Å; Y55-Q64 VanDerWaalsContact CA-O 3.22Å; Y55-Q64 WeakPolarHBondContact CA-O 3.31Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.34Å; Y55-L65 HydrophobicContact CD1-CB 4.39Å; Y55-L65 HydrophobicContact CD2-CD1 4.49Å; Y55-L65 HydrophobicContact CE1-CB 4Å; Y55-L65 HydrophobicContact CE1-CD1 4.28Å; Y55-L65 HydrophobicContact CE2-CD1 4.03Å; Y55-Y108 CarbonylContact O-C 3.5Å; Y55-Y108 WeakPolarHBondContact O-CA 3.45Å; Y55-F109 PolarHBondContact N-O 2.99Å; Y55-F109 PolarHBondContact O-N 3.04Å
56	V	98.6	Very high	96.9	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.024	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.1	173.4	63.5	0	0	0	0	109.5	Y58 Q64 L66 A106 V107 Y108	V56-Y58 HydrophobicContact CG1-CE2 3.99Å; V56-Y58 HydrophobicContact CG2-CD2 4.5Å; V56-Y58 HydrophobicContact CG2-CE1 4.34Å; V56-Y58 HydrophobicContact CG2-CE2 4.05Å; V56-Q64 HydrophobicContact CG1-CB 4.05Å; V56-Q64 PolarHBondContact N-O 2.95Å; V56-Q64 PolarHBondContact O-N 3.5Å; V56-L66 HydrophobicContact CG1-CB 4.46Å; V56-L66 HydrophobicContact CG1-CD1 4.38Å; V56-A106 HydrophobicContact CG2-CB 3.46Å; V56-A106 VanDerWaalsContact CG2-CB 3.46Å; V56-V107 CarbonylContact C-O 3.57Å; V56-V107 WeakPolarHBondContact CA-O 3.38Å; V56-Y108 HydrophobicContact CB-CD1 4.13Å; V56-Y108 HydrophobicContact CB-CE1 4.05Å; V56-Y108 HydrophobicContact CG2-CD1 4.04Å; V56-Y108 HydrophobicContact CG2-CE1 3.67Å; V56-Y108 HydrophobicContact CG2-CE2 4.43Å
57	Q	98.5	Very high	97.1	Very high	72 Å²	72	63.3 Å²	63.3	34%	0.336	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	107.9	174.5	-167.8	179.2	18.3	0	0	110.2	Q61 L63 A106 V107 F109	Q57-Q61 WeakPolarHBondContact CG-O 3.34Å; Q57-Q61 PolarHBondContact NE2-O 2.98Å; Q57-Q61 VanDerWaalsContact NE2-O 3.14Å; Q57-L63 HydrophobicContact CB-CD2 3.98Å; Q57-A106 WeakPolarHBondContact O-CB 3.29Å; Q57-V107 HydrophobicContact CB-CB 4.4Å; Q57-V107 PolarHBondContact N-O 2.88Å; Q57-V107 PolarHBondContact O-N 2.62Å; Q57-F109 HydrophobicContact CB-CE2 3.97Å
58	Y	97.8	Very high	97.5	Very high	41 Å²	41	63.1 Å²	63.1	16%	0.161	32%	0.317	C	S	.	.			trans	-77.8	157.5	171.7	-64.8	-73.2	0	0	0	111.4	V56 R60 Q61 S103 A106	V56-Y58 HydrophobicContact CG1-CE2 3.99Å; V56-Y58 HydrophobicContact CG2-CD2 4.5Å; V56-Y58 HydrophobicContact CG2-CE1 4.34Å; V56-Y58 HydrophobicContact CG2-CE2 4.05Å; Y58-R60 PolarHBondContact O-N 2.93Å; Y58-Q61 PolarHBondContact O-N 2.75Å; Y58-S103 WeakPolarHBondContact CE1-O 3.36Å; Y58-A106 HydrophobicContact CD1-CB 3.71Å; Y58-A106 HydrophobicContact CE1-CB 3.82Å; Y58-A106 HydrophobicContact CG-CB 4.41Å
59	P	97.5	Very high	97.8	Very high	92 Å²	92	61.8 Å²	61.8	60%	0.597	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	125.3	178.3	-28	35.5	0	0	0	112.6	Q61	P59-Q61 PolarHBondContact O-N 2.8Å
60	R	96.5	Very high	98	Very high	246 Å²	246	61.9 Å²	61.9	93%	0.928	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	20.6	-179.2	-54.7	-177.1	-68.1	-89	-0.8	115.3	Y58	Y58-R60 PolarHBondContact O-N 2.93Å
61	Q	97.4	Very high	98	Very high	95 Å²	95	66.3 Å²	66.3	44%	0.444	32%	0.323	S	S	.	.			trans	-113.6	161.5	174.6	-59.3	-175.8	33	0	0	111	Q57 Y58 P59	Q57-Q61 WeakPolarHBondContact CG-O 3.34Å; Q57-Q61 PolarHBondContact NE2-O 2.98Å; Q57-Q61 VanDerWaalsContact NE2-O 3.14Å; Y58-Q61 PolarHBondContact O-N 2.75Å; P59-Q61 PolarHBondContact O-N 2.8Å
62	G	97.3	Very high	98	Very high	51 Å²	51	64.1 Å²	64.1	53%	0.526	33%	0.333	S	S	.	.			trans	-72.4	171.2	170.5	0	0	0	0	0	112.3
63	L	97.9	Very high	97.9	Very high	100 Å²	100	69.4 Å²	69.4	52%	0.524	36%	0.361	S	S	.	.			trans	-64.8	132	172	-71.3	168.6	0	0	0	110.4	Y55 Q57 F109	Y55-L63 HydrophobicContact CD1-CB 4Å; Q57-L63 HydrophobicContact CB-CD2 3.98Å; L63-F109 HydrophobicContact CD2-CD2 3.42Å; L63-F109 VanDerWaalsContact CD2-CD2 3.42Å; L63-F109 HydrophobicContact CD2-CE2 3.69Å; L63-F109 HydrophobicContact CD2-CG 4.25Å
64	Q	98.3	Very high	97.9	Very high	80 Å²	80	70.8 Å²	70.8	37%	0.374	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.7	175.9	-62.3	173.3	21.8	0	0	109	Y55 V56 L66	Y55-Q64 CarbonylContact C-O 3.59Å; Y55-Q64 VanDerWaalsContact CA-O 3.22Å; Y55-Q64 WeakPolarHBondContact CA-O 3.31Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.34Å; V56-Q64 HydrophobicContact CG1-CB 4.05Å; V56-Q64 PolarHBondContact N-O 2.95Å; V56-Q64 PolarHBondContact O-N 3.5Å; Q64-L66 PolarHBondContact O-N 3.01Å
65	L	98.4	Very high	97.8	Very high	74 Å²	74	73.4 Å²	73.4	39%	0.387	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.8	175.8	178.2	68.9	0	0	0	109.3	F53 Y55 L67 K68	F53-L65 HydrophobicContact CB-CD1 4.35Å; F53-L65 HydrophobicContact CD1-CD1 4.08Å; Y55-L65 HydrophobicContact CD1-CB 4.39Å; Y55-L65 HydrophobicContact CD2-CD1 4.49Å; Y55-L65 HydrophobicContact CE1-CB 4Å; Y55-L65 HydrophobicContact CE1-CD1 4.28Å; Y55-L65 HydrophobicContact CE2-CD1 4.03Å; L65-L67 WeakPolarHBondContact CD1-O 3.36Å; L65-K68 HydrophobicContact CD1-CB 4.42Å; L65-K68 HydrophobicContact CD2-CD 4.01Å
66	L	98.3	Very high	97.8	Very high	9 Å²	9	70.8 Å²	70.8	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-49.5	178	-173.9	67.1	0	0	0	111.5	W54 V56 Q64 G78 V79 F82 L95 Y108	W54-L66 HydrophobicContact CB-CB 4.28Å; W54-L66 HydrophobicContact CB-CD2 4.35Å; W54-L66 VanDerWaalsContact O-CB 3.31Å; W54-L66 WeakPolarHBondContact O-CB 3.4Å; W54-L66 PolarHBondContact O-N 3.3Å; V56-L66 HydrophobicContact CG1-CB 4.46Å; V56-L66 HydrophobicContact CG1-CD1 4.38Å; Q64-L66 PolarHBondContact O-N 3.01Å; L66-G78 WeakPolarHBondContact O-CA 3.28Å; L66-V79 HydrophobicContact CD1-CB 4.17Å; L66-V79 PolarHBondContact O-N 2.75Å; L66-F82 HydrophobicContact CD1-CB 4.36Å; L66-F82 HydrophobicContact CD1-CD2 3.86Å; L66-F82 HydrophobicContact CD1-CG 4.27Å; L66-F82 HydrophobicContact CD2-CB 4Å; L66-F82 HydrophobicContact CD2-CD1 4.13Å; L66-F82 HydrophobicContact CD2-CD2 4.1Å; L66-F82 HydrophobicContact CD2-CG 3.82Å; L66-F82 HydrophobicContact CG-CB 4.21Å; L66-F82 HydrophobicContact CG-CD2 4.44Å; L66-F82 HydrophobicContact CG-CG 4.36Å; L66-L95 HydrophobicContact CD2-CD1 3.86Å; L66-L95 HydrophobicContact CD2-CD2 3.66Å; L66-L95 HydrophobicContact CD2-CG 4.39Å; L66-Y108 HydrophobicContact CD2-CD1 4.03Å; L66-Y108 HydrophobicContact CD2-CE1 3.91Å
67	L	98.6	Very high	97.8	Very high	8 Å²	8	76.3 Å²	76.3	4%	0.042	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	167	175.7	55.3	75.3	0	0	0	111.4	W54 L65 V76 F82 A84 F93 L95	W54-L67 HydrophobicContact CB-CD1 3.92Å; W54-L67 HydrophobicContact CB-CG 4.19Å; W54-L67 HydrophobicContact CG-CD1 4.2Å; W54-L67 PolarHBondContact N-O 2.98Å; W54-L67 PolarHBondContact O-N 3.2Å; L65-L67 WeakPolarHBondContact CD1-O 3.36Å; L67-V76 HydrophobicContact CD1-CG2 3.89Å; L67-V76 HydrophobicContact CD2-CG2 4.45Å; L67-F82 HydrophobicContact CD2-CB 4.47Å; L67-A84 HydrophobicContact CD1-CB 3.7Å; L67-A84 HydrophobicContact CD2-CB 4.04Å; L67-F93 HydrophobicContact CD1-CE1 3.63Å; L67-F93 HydrophobicContact CD1-CZ 3.6Å; L67-L95 HydrophobicContact CD1-CD1 4.48Å; L67-L95 HydrophobicContact CD2-CD1 3.69Å; L67-L95 HydrophobicContact CG-CD1 4.18Å
68	K	98.4	Very high	97.7	Very high	90 Å²	90	74 Å²	74	39%	0.391	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.7	-179.1	60.9	-176.5	-179.3	176.6	0	112.4	L52 F53 L65 Y70	L52-K68 CarbonylContact O-C 3.54Å; L52-K68 VanDerWaalsContact O-CA 3.25Å; L52-K68 WeakPolarHBondContact O-CA 3.38Å; F53-K68 HydrophobicContact CD1-CB 3.57Å; F53-K68 HydrophobicContact CD1-CD 4.5Å; F53-K68 HydrophobicContact CE1-CB 3.95Å; F53-K68 HydrophobicContact CE1-CD 4.3Å; F53-K68 HydrophobicContact CG-CB 4.45Å; L65-K68 HydrophobicContact CD1-CB 4.42Å; L65-K68 HydrophobicContact CD2-CD 4.01Å; K68-Y70 HydrophobicContact CD-CD2 4.46Å; K68-Y70 HydrophobicContact CD-CE2 3.52Å; K68-Y70 WeakPolarHBondContact CD-OH 3.37Å; K68-Y70 VanDerWaalsContact CE-CE2 3.48Å; K68-Y70 HydrophobicContact CG-CE2 4.16Å; K68-Y70 PolarHBondContact NZ-OH 3.38Å; K68-Y70 VanDerWaalsContact NZ-OH 3.13Å
69	Y	98.6	Very high	97.6	Very high	22 Å²	22	75.9 Å²	75.9	9%	0.086	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.9	173.1	172.1	-94	0	0	0	109.9	Y51 L52 D73 V76 F86 F93	Y51-Y69 WeakPolarHBondContact CA-O 3.22Å; L52-Y69 PolarHBondContact N-O 3.38Å; L52-Y69 PolarHBondContact O-N 2.83Å; Y69-D73 WeakPolarHBondContact CE2-O 3.34Å; Y69-V76 HydrophobicContact CD2-CG1 3.92Å; Y69-F86 HydrophobicContact CD1-CB 3.86Å; Y69-F86 HydrophobicContact CD1-CD1 4.15Å; Y69-F86 AromaticContact CD1-CD2 3.95Å; Y69-F86 HydrophobicContact CD1-CD2 3.95Å; Y69-F86 AromaticContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD2-CB 3.99Å; Y69-F86 HydrophobicContact CD2-CG 4.48Å; Y69-F86 HydrophobicContact CE1-CB 3.9Å; Y69-F86 AromaticContact CE1-CD1 3.32Å; Y69-F86 HydrophobicContact CE1-CD1 3.32Å; Y69-F86 AromaticContact CE1-CD2 3.76Å; Y69-F86 HydrophobicContact CE1-CD2 3.76Å; Y69-F86 AromaticContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE2 4.07Å; Y69-F86 AromaticContact CE1-CG 3.34Å; Y69-F86 HydrophobicContact CE1-CG 3.34Å; Y69-F86 HydrophobicContact CE1-CZ 4.02Å; Y69-F86 HydrophobicContact CE2-CB 4.03Å; Y69-F86 AromaticContact CE2-CD1 3.98Å; Y69-F86 HydrophobicContact CE2-CD1 3.98Å; Y69-F86 HydrophobicContact CE2-CG 4.19Å; Y69-F86 HydrophobicContact CG-CB 3.91Å; Y69-F86 HydrophobicContact CG-CG 4.26Å; Y69-F86 AromaticContact CZ-CD1 3.21Å; Y69-F86 AromaticContact CZ-CE1 3.74Å; Y69-F86 AromaticContact CZ-CG 3.62Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.39Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.26Å; Y69-F93 HydrophobicContact CG-CE2 4.49Å
70	Y	97.8	Very high	97.5	Very high	99 Å²	99	75.6 Å²	75.6	39%	0.388	41%	0.411	S	S	.	.	S	Bend	trans	-115.7	-48.2	174	-63.4	-62.2	0	0	0	111.7	Y51 F53 K68	Y51-Y70 AromaticContact CD1-CD1 3.72Å; Y51-Y70 HydrophobicContact CD1-CD1 3.72Å; Y51-Y70 HydrophobicContact CD1-CG 4.47Å; Y51-Y70 AromaticContact CD2-CD1 3.91Å; Y51-Y70 HydrophobicContact CD2-CD1 3.91Å; Y51-Y70 HydrophobicContact CD2-CE1 4.17Å; Y51-Y70 HydrophobicContact CE1-CD1 4.16Å; Y51-Y70 HydrophobicContact CE2-CD1 4.33Å; Y51-Y70 AromaticContact CG-CD1 3.59Å; Y51-Y70 HydrophobicContact CG-CD1 3.59Å; Y51-Y70 HydrophobicContact CG-CE1 4.15Å; F53-Y70 HydrophobicContact CE1-CE1 4.02Å; F53-Y70 AromaticContact CZ-CE1 3.92Å; F53-Y70 HydrophobicContact CZ-CE1 3.92Å; K68-Y70 HydrophobicContact CD-CD2 4.46Å; K68-Y70 HydrophobicContact CD-CE2 3.52Å; K68-Y70 WeakPolarHBondContact CD-OH 3.37Å; K68-Y70 VanDerWaalsContact CE-CE2 3.48Å; K68-Y70 HydrophobicContact CG-CE2 4.16Å; K68-Y70 PolarHBondContact NZ-OH 3.38Å; K68-Y70 VanDerWaalsContact NZ-OH 3.13Å
71	S	96.5	Very high	97.5	Very high	97 Å²	97	68.4 Å²	68.4	68%	0.678	40%	0.399	S	S	*	.	S	Bend	trans	-170.8	167.7	178.7	58.3	0	0	0	0	109.6
72	G	96.6	Very high	97.6	Very high	62 Å²	62	63.9 Å²	63.9	64%	0.639	38%	0.377	S	S	*	.	S	Bend	trans	99.8	-130	173.4	0	0	0	0	0	112.8
73	D	97.1	Very high	97.6	Very high	111 Å²	111	64.6 Å²	64.6	59%	0.594	37%	0.367	S	S	*	.			trans	-58.9	122.5	178.9	-166	-28.4	0	0	0	109.9	Y69 V75	Y69-D73 WeakPolarHBondContact CE2-O 3.34Å; D73-V75 PolarHBondContact O-N 2.85Å; D73-V75 PolarHBondContact OD1-N 2.78Å
74	P	97.7	Very high	97.7	Very high	56 Å²	56	59.9 Å²	59.9	36%	0.364	34%	0.343	S	S	.	.	S	Bend	trans	-64.5	-25.7	178.8	26.8	-35.4	0	0	0	112.3	E85 F86	P74-E85 CarbonylContact O-C 3.54Å; P74-E85 WeakPolarHBondContact O-CA 3.45Å; P74-F86 HydrophobicContact CB-CB 4.43Å; P74-F86 WeakPolarHBondContact CB-O 3.25Å; P74-F86 PolarHBondContact O-N 3.11Å
75	V	98.1	Very high	97.7	Very high	55 Å²	55	60.6 Å²	60.6	33%	0.333	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.9	178.2	-176.3	0	0	0	0	109.3	D73 E85	D73-V75 PolarHBondContact O-N 2.85Å; D73-V75 PolarHBondContact OD1-N 2.78Å; V75-E85 HydrophobicContact CG2-CB 4.35Å; V75-E85 HydrophobicContact CG2-CG 4.05Å
76	V	98.3	Very high	97.7	Very high	23 Å²	23	58.3 Å²	58.3	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.5	177.8	-62.7	0	0	0	0	111.1	L67 Y69 E83 A84 F93	L67-V76 HydrophobicContact CD1-CG2 3.89Å; L67-V76 HydrophobicContact CD2-CG2 4.45Å; Y69-V76 HydrophobicContact CD2-CG1 3.92Å; V76-E83 CarbonylContact O-C 3.6Å; V76-E83 WeakPolarHBondContact O-CA 3.42Å; V76-A84 HydrophobicContact CG2-CB 4.26Å; V76-A84 WeakPolarHBondContact CG2-O 3.43Å; V76-A84 PolarHBondContact N-O 3.01Å; V76-A84 PolarHBondContact O-N 3.33Å; V76-F93 HydrophobicContact CG2-CE2 3.85Å; V76-F93 HydrophobicContact CG2-CZ 3.6Å
77	Q	98	Very high	97.7	Very high	120 Å²	120	58.8 Å²	58.8	56%	0.561	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	142.3	175.4	-62.9	-63.8	-34.4	0	0	110.3	E83	Q77-E83 PolarHBondContact NE2-OE2 3.06Å
78	G	97.1	Very high	97.5	Very high	23 Å²	23	65.5 Å²	65.5	24%	0.237	37%	0.366	C	S	.	.			trans	-119.7	-171.6	179.1	0	0	0	0	0	113.2	L66 F82	L66-G78 WeakPolarHBondContact O-CA 3.28Å; G78-F82 WeakPolarHBondContact CA-O 3.47Å; G78-F82 PolarHBondContact N-O 2.82Å
79	V	95.9	Very high	97.4	Very high	80 Å²	80	66.3 Å²	66.3	49%	0.485	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-65.2	148.2	173.8	-175.5	0	0	0	0	109.9	L66 S81 F82	L66-V79 HydrophobicContact CD1-CB 4.17Å; L66-V79 PolarHBondContact O-N 2.75Å; V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.47Å; V79-F82 WeakPolarHBondContact O-CD2 3.48Å; V79-F82 PolarHBondContact O-N 2.83Å
80	N	95	Very high	97.3	Very high	87 Å²	87	69.9 Å²	69.9	47%	0.465	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	55.8	38.1	174.8	-59.2	-25.4	0	0	0	115	F82 K97	N80-F82 HydrophobicContact CB-CD2 4.26Å; N80-F82 PolarHBondContact O-N 2.95Å; N80-K97 VanDerWaalsContact O-CE 3.32Å; N80-K97 WeakPolarHBondContact O-CE 3.31Å; N80-K97 PolarHBondContact O-NZ 3.03Å
81	S	96.9	Very high	97.3	Very high	95 Å²	95	67.4 Å²	67.4	66%	0.664	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	59.3	26.2	177.3	-46.5	0	0	0	0	114.1	V79	V79-S81 VanDerWaalsContact C-N 3.32Å; V79-S81 PolarHBondContact O-N 3.47Å
82	F	98.5	Very high	97.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	37%	0.37	C	S	.	.			trans	-76.8	143.3	163.6	-81.3	-81	0	0	0	109.4	L38 L66 L67 G78 V79 N80 L95 Q96 K97 D104 Y108	L38-F82 HydrophobicContact CD2-CE1 4.2Å; L66-F82 HydrophobicContact CD1-CB 4.36Å; L66-F82 HydrophobicContact CD1-CD2 3.86Å; L66-F82 HydrophobicContact CD1-CG 4.27Å; L66-F82 HydrophobicContact CD2-CB 4Å; L66-F82 HydrophobicContact CD2-CD1 4.13Å; L66-F82 HydrophobicContact CD2-CD2 4.1Å; L66-F82 HydrophobicContact CD2-CG 3.82Å; L66-F82 HydrophobicContact CG-CB 4.21Å; L66-F82 HydrophobicContact CG-CD2 4.44Å; L66-F82 HydrophobicContact CG-CG 4.36Å; L67-F82 HydrophobicContact CD2-CB 4.47Å; G78-F82 WeakPolarHBondContact CA-O 3.47Å; G78-F82 PolarHBondContact N-O 2.82Å; V79-F82 WeakPolarHBondContact O-CD2 3.48Å; V79-F82 PolarHBondContact O-N 2.83Å; N80-F82 HydrophobicContact CB-CD2 4.26Å; N80-F82 PolarHBondContact O-N 2.95Å; F82-L95 HydrophobicContact CB-CD1 4.12Å; F82-L95 HydrophobicContact CD1-CD1 4.03Å; F82-L95 HydrophobicContact CD1-CD2 3.72Å; F82-L95 HydrophobicContact CD1-CG 3.75Å; F82-L95 HydrophobicContact CE1-CD2 3.94Å; F82-L95 HydrophobicContact CE1-CG 4.35Å; F82-L95 HydrophobicContact CG-CD1 4.47Å; F82-Q96 WeakPolarHBondContact CA-O 3.49Å; F82-K97 HydrophobicContact CD1-CB 3.79Å; F82-K97 HydrophobicContact CD1-CD 4.07Å; F82-K97 HydrophobicContact CD2-CD 3.96Å; F82-K97 HydrophobicContact CE1-CB 3.76Å; F82-K97 HydrophobicContact CE1-CD 3.74Å; F82-K97 HydrophobicContact CE1-CG 4.39Å; F82-K97 HydrophobicContact CE2-CD 3.61Å; F82-K97 HydrophobicContact CG-CB 4.47Å; F82-K97 HydrophobicContact CG-CD 4.18Å; F82-K97 HydrophobicContact CZ-CB 4.39Å; F82-K97 HydrophobicContact CZ-CD 3.49Å; F82-K97 VanDerWaalsContact CZ-CD 3.49Å; F82-D104 HydrophobicContact CZ-CB 4.25Å; F82-Y108 HydrophobicContact CE1-CE1 4.03Å; F82-Y108 HydrophobicContact CE2-CE1 4.32Å; F82-Y108 AromaticContact CZ-CE1 3.78Å; F82-Y108 HydrophobicContact CZ-CE1 3.78Å; F82-Y108 AromaticContact CZ-CZ 3.79Å; F82-Y108 VanDerWaalsContact CZ-OH 3.26Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.48Å
83	E	98.5	Very high	97.5	Very high	66 Å²	66	60.1 Å²	60.1	31%	0.308	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.6	173.9	67.8	-175.8	-170.5	0	0	110.6	V76 Q77 L95 Q96	V76-E83 CarbonylContact O-C 3.6Å; V76-E83 WeakPolarHBondContact O-CA 3.42Å; Q77-E83 PolarHBondContact NE2-OE2 3.06Å; E83-L95 CarbonylContact O-C 3.54Å; E83-L95 WeakPolarHBondContact O-CA 3.38Å; E83-Q96 HydrophobicContact CG-CB 3.96Å; E83-Q96 PolarHBondContact N-O 2.92Å; E83-Q96 PolarHBondContact O-N 3.15Å
84	A	98.7	Very high	97.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.4	170.9	0	0	0	0	0	110.8	L67 V76 F93 H94 L95	L67-A84 HydrophobicContact CD1-CB 3.7Å; L67-A84 HydrophobicContact CD2-CB 4.04Å; V76-A84 HydrophobicContact CG2-CB 4.26Å; V76-A84 WeakPolarHBondContact CG2-O 3.43Å; V76-A84 PolarHBondContact N-O 3.01Å; V76-A84 PolarHBondContact O-N 3.33Å; A84-F93 HydrophobicContact CB-CD1 4.3Å; A84-F93 HydrophobicContact CB-CD2 3.94Å; A84-F93 HydrophobicContact CB-CE1 3.98Å; A84-F93 HydrophobicContact CB-CE2 3.56Å; A84-F93 HydrophobicContact CB-CG 4.31Å; A84-F93 HydrophobicContact CB-CZ 3.6Å; A84-H94 VanDerWaalsContact CA-O 3.25Å; A84-H94 WeakPolarHBondContact CA-O 3.4Å; A84-H94 WeakPolarHBondContact CB-O 3.38Å; A84-L95 HydrophobicContact CB-CD1 4.36Å
85	E	98.3	Very high	97.7	Very high	95 Å²	95	54 Å²	54	44%	0.444	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.8	177.1	-173.8	-175.6	171.3	0	0	110.4	P74 V75 S87 F93	P74-E85 CarbonylContact O-C 3.54Å; P74-E85 WeakPolarHBondContact O-CA 3.45Å; V75-E85 HydrophobicContact CG2-CB 4.35Å; V75-E85 HydrophobicContact CG2-CG 4.05Å; E85-S87 PolarHBondContact O-N 3.12Å; E85-F93 WeakPolarHBondContact O-CA 3.25Å
86	F	98.4	Very high	97.7	Very high	26 Å²	26	54.2 Å²	54.2	11%	0.114	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.3	168.9	170	-113	0	0	0	110.4	Y44 P50 L52 Y69 P74 K88 F93	Y44-F86 HydrophobicContact CE1-CE2 4.18Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.42Å; P50-F86 HydrophobicContact CG-CE2 3.7Å; P50-F86 HydrophobicContact CG-CZ 4.17Å; L52-F86 HydrophobicContact CD1-CD2 3.49Å; L52-F86 VanDerWaalsContact CD1-CD2 3.49Å; L52-F86 HydrophobicContact CD1-CE2 3.86Å; Y69-F86 HydrophobicContact CD1-CB 3.86Å; Y69-F86 HydrophobicContact CD1-CD1 4.15Å; Y69-F86 AromaticContact CD1-CD2 3.95Å; Y69-F86 HydrophobicContact CD1-CD2 3.95Å; Y69-F86 AromaticContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD2-CB 3.99Å; Y69-F86 HydrophobicContact CD2-CG 4.48Å; Y69-F86 HydrophobicContact CE1-CB 3.9Å; Y69-F86 AromaticContact CE1-CD1 3.32Å; Y69-F86 HydrophobicContact CE1-CD1 3.32Å; Y69-F86 AromaticContact CE1-CD2 3.76Å; Y69-F86 HydrophobicContact CE1-CD2 3.76Å; Y69-F86 AromaticContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE2 4.07Å; Y69-F86 AromaticContact CE1-CG 3.34Å; Y69-F86 HydrophobicContact CE1-CG 3.34Å; Y69-F86 HydrophobicContact CE1-CZ 4.02Å; Y69-F86 HydrophobicContact CE2-CB 4.03Å; Y69-F86 AromaticContact CE2-CD1 3.98Å; Y69-F86 HydrophobicContact CE2-CD1 3.98Å; Y69-F86 HydrophobicContact CE2-CG 4.19Å; Y69-F86 HydrophobicContact CG-CB 3.91Å; Y69-F86 HydrophobicContact CG-CG 4.26Å; Y69-F86 AromaticContact CZ-CD1 3.21Å; Y69-F86 AromaticContact CZ-CE1 3.74Å; Y69-F86 AromaticContact CZ-CG 3.62Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.39Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.26Å; P74-F86 HydrophobicContact CB-CB 4.43Å; P74-F86 WeakPolarHBondContact CB-O 3.25Å; P74-F86 PolarHBondContact O-N 3.11Å; F86-K88 HydrophobicContact CE1-CB 4.03Å; F86-K88 HydrophobicContact CE2-CB 4.46Å; F86-K88 HydrophobicContact CZ-CB 3.71Å; F86-K88 HydrophobicContact CZ-CG 4.33Å; F86-F93 HydrophobicContact CB-CD2 4.11Å; F86-F93 HydrophobicContact CB-CE2 4.28Å
87	S	97.9	Very high	97.7	Very high	18 Å²	18	54 Å²	54	13%	0.126	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103.9	174.4	-176.1	0	0	0	0	110.5	E85 S89 N90 S91 S92	E85-S87 PolarHBondContact O-N 3.12Å; S87-S89 PolarHBondContact OG-OG 2.7Å; S87-N90 WeakPolarHBondContact OG-CB 3.43Å; S87-N90 PolarHBondContact OG-ND2 3.46Å; S87-N90 VanDerWaalsContact OG-ND2 3.12Å; S87-S91 WeakPolarHBondContact O-CA 3.4Å; S87-S91 PolarHBondContact O-N 2.93Å; S87-S92 WeakPolarHBondContact CB-OG 3.17Å; S87-S92 PolarHBondContact N-O 2.72Å; S87-S92 PolarHBondContact O-N 2.76Å
88	K	95.8	Very high	97.7	Very high	150 Å²	150	52.5 Å²	52.5	65%	0.652	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-39.6	176.4	-172.1	173.9	-179.5	175.3	0	112.4	F86 N90 S91	F86-K88 HydrophobicContact CE1-CB 4.03Å; F86-K88 HydrophobicContact CE2-CB 4.46Å; F86-K88 HydrophobicContact CZ-CB 3.71Å; F86-K88 HydrophobicContact CZ-CG 4.33Å; K88-N90 VanDerWaalsContact C-N 3.3Å; K88-N90 PolarHBondContact O-N 3.44Å; K88-S91 PolarHBondContact O-N 3.36Å
89	S	96	Very high	97.7	Very high	107 Å²	107	54.7 Å²	54.7	75%	0.748	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-34	-178.9	51.1	0	0	0	0	112.6	S87	S87-S89 PolarHBondContact OG-OG 2.7Å
90	N	97.3	Very high	97.8	Very high	97 Å²	97	51.3 Å²	51.3	52%	0.519	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-0.1	-179.8	-65.7	-47.4	0	0	0	113.3	K43 S87 K88 S92	K43-N90 WeakPolarHBondContact CD-O 3.4Å; K43-N90 PolarHBondContact NZ-O 2.93Å; S87-N90 WeakPolarHBondContact OG-CB 3.43Å; S87-N90 PolarHBondContact OG-ND2 3.46Å; S87-N90 VanDerWaalsContact OG-ND2 3.12Å; K88-N90 VanDerWaalsContact C-N 3.3Å; K88-N90 PolarHBondContact O-N 3.44Å; N90-S92 VanDerWaalsContact C-N 3.26Å; N90-S92 WeakPolarHBondContact CB-OG 3.32Å; N90-S92 PolarHBondContact O-N 3.43Å
91	S	97.5	Very high	98	Very high	46 Å²	46	51.3 Å²	51.3	32%	0.322	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.5	51.7	-169.1	-52.9	0	0	0	0	112.5	K43 Y44 S87 K88	K43-S91 CarbonylContact C-O 3.57Å; K43-S91 VanDerWaalsContact CA-O 3.3Å; K43-S91 WeakPolarHBondContact CA-O 3.46Å; K43-S91 WeakPolarHBondContact CD-O 3.48Å; Y44-S91 VanDerWaalsContact CD1-C 3.48Å; Y44-S91 WeakPolarHBondContact CD1-O 3.37Å; Y44-S91 PolarHBondContact N-O 3.12Å; Y44-S91 WeakPolarHBondContact O-CB 3.29Å; S87-S91 WeakPolarHBondContact O-CA 3.4Å; S87-S91 PolarHBondContact O-N 2.93Å; K88-S91 PolarHBondContact O-N 3.36Å
92	S	98.5	Very high	98	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.049	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.1	-175.5	49.4	0	0	0	0	114	C42 S87 N90 H94	C42-S92 WeakPolarHBondContact O-CA 3.39Å; C42-S92 WeakPolarHBondContact O-CB 3.43Å; S87-S92 WeakPolarHBondContact CB-OG 3.17Å; S87-S92 PolarHBondContact N-O 2.72Å; S87-S92 PolarHBondContact O-N 2.76Å; N90-S92 VanDerWaalsContact C-N 3.26Å; N90-S92 WeakPolarHBondContact CB-OG 3.32Å; N90-S92 PolarHBondContact O-N 3.43Å; S92-H94 WeakPolarHBondContact CB-CE1 3.22Å
93	F	98.7	Very high	97.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	65.9	173.3	-166.4	-128.4	0	0	0	110.3	C42 L52 W54 L67 Y69 V76 A84 E85 F86 L95	C42-F93 WeakPolarHBondContact CB-O 3.46Å; C42-F93 PolarHBondContact O-N 3.13Å; C42-F93 VanDerWaalsContact O-N 3.11Å; L52-F93 HydrophobicContact CB-CB 4.38Å; L52-F93 HydrophobicContact CB-CD1 3.55Å; L52-F93 HydrophobicContact CB-CD2 4.36Å; L52-F93 HydrophobicContact CB-CE1 3.75Å; L52-F93 HydrophobicContact CB-CG 3.86Å; L52-F93 HydrophobicContact CB-CZ 4.25Å; L52-F93 HydrophobicContact CD1-CB 3.97Å; L52-F93 HydrophobicContact CD1-CD2 4.34Å; L52-F93 HydrophobicContact CD1-CG 4.08Å; L52-F93 HydrophobicContact CD2-CB 4.29Å; L52-F93 HydrophobicContact CG-CB 4.44Å; L52-F93 HydrophobicContact CG-CD1 4.46Å; L52-F93 HydrophobicContact CG-CG 4.41Å; W54-F93 AromaticContact CD1-CD1 3.49Å; W54-F93 VanDerWaalsContact CD1-CD1 3.49Å; W54-F93 AromaticContact CD1-CE1 3.5Å; W54-F93 VanDerWaalsContact CD1-CE1 3.5Å; W54-F93 AromaticContact NE1-CD1 3.53Å; W54-F93 PolarHBondContact NE1-O 2.88Å; L67-F93 HydrophobicContact CD1-CE1 3.63Å; L67-F93 HydrophobicContact CD1-CZ 3.6Å; Y69-F93 HydrophobicContact CG-CE2 4.49Å; V76-F93 HydrophobicContact CG2-CE2 3.85Å; V76-F93 HydrophobicContact CG2-CZ 3.6Å; A84-F93 HydrophobicContact CB-CD1 4.3Å; A84-F93 HydrophobicContact CB-CD2 3.94Å; A84-F93 HydrophobicContact CB-CE1 3.98Å; A84-F93 HydrophobicContact CB-CE2 3.56Å; A84-F93 HydrophobicContact CB-CG 4.31Å; A84-F93 HydrophobicContact CB-CZ 3.6Å; E85-F93 WeakPolarHBondContact O-CA 3.25Å; F86-F93 HydrophobicContact CB-CD2 4.11Å; F86-F93 HydrophobicContact CB-CE2 4.28Å; F93-L95 PolarHBondContact O-N 2.91Å
94	H	98.7	Very high	97.9	Very high	38 Å²	38	55 Å²	55	18%	0.176	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.9	-172.8	-61.6	-16.6	0	0	0	110.4	Q39 L40 C42 A84 S92	Q39-H94 HydrophobicContact CG-CB 4.29Å; L40-H94 WeakPolarHBondContact O-CA 3.38Å; C42-H94 PolarHBondContact N-ND1 3.14Å; C42-H94 VanDerWaalsContact N-ND1 3.12Å; C42-H94 PolarHBondContact O-CE1 2.82Å; C42-H94 PolarHBondContact O-ND1 3Å; A84-H94 VanDerWaalsContact CA-O 3.25Å; A84-H94 WeakPolarHBondContact CA-O 3.4Å; A84-H94 WeakPolarHBondContact CB-O 3.38Å; S92-H94 WeakPolarHBondContact CB-CE1 3.22Å
95	L	98.8	Very high	97.8	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.6	174.4	-171.9	72.2	0	0	0	109	Q39 L40 W54 L66 L67 F82 E83 A84 F93 Y108	Q39-L95 CarbonylContact C-O 3.54Å; Q39-L95 VanDerWaalsContact CA-O 3.28Å; Q39-L95 WeakPolarHBondContact CA-O 3.49Å; L40-L95 HydrophobicContact CB-CB 4.24Å; L40-L95 HydrophobicContact CD1-CD2 4.17Å; L40-L95 PolarHBondContact N-O 2.81Å; L40-L95 PolarHBondContact O-N 2.97Å; W54-L95 HydrophobicContact CB-CD1 4.2Å; W54-L95 HydrophobicContact CD2-CB 3.85Å; W54-L95 HydrophobicContact CD2-CD1 4.35Å; W54-L95 HydrophobicContact CD2-CD2 4.07Å; W54-L95 HydrophobicContact CD2-CG 4.33Å; W54-L95 VanDerWaalsContact CE2-CB 3.49Å; W54-L95 HydrophobicContact CE3-CB 4.41Å; W54-L95 HydrophobicContact CE3-CD2 4.08Å; W54-L95 HydrophobicContact CG-CB 4.2Å; W54-L95 HydrophobicContact CG-CD1 3.89Å; W54-L95 HydrophobicContact CG-CD2 4.33Å; W54-L95 HydrophobicContact CG-CG 4.39Å; W54-L95 HydrophobicContact CH2-CB 4.28Å; W54-L95 HydrophobicContact CZ2-CB 3.71Å; L66-L95 HydrophobicContact CD2-CD1 3.86Å; L66-L95 HydrophobicContact CD2-CD2 3.66Å; L66-L95 HydrophobicContact CD2-CG 4.39Å; L67-L95 HydrophobicContact CD1-CD1 4.48Å; L67-L95 HydrophobicContact CD2-CD1 3.69Å; L67-L95 HydrophobicContact CG-CD1 4.18Å; F82-L95 HydrophobicContact CB-CD1 4.12Å; F82-L95 HydrophobicContact CD1-CD1 4.03Å; F82-L95 HydrophobicContact CD1-CD2 3.72Å; F82-L95 HydrophobicContact CD1-CG 3.75Å; F82-L95 HydrophobicContact CE1-CD2 3.94Å; F82-L95 HydrophobicContact CE1-CG 4.35Å; F82-L95 HydrophobicContact CG-CD1 4.47Å; E83-L95 CarbonylContact O-C 3.54Å; E83-L95 WeakPolarHBondContact O-CA 3.38Å; A84-L95 HydrophobicContact CB-CD1 4.36Å; F93-L95 PolarHBondContact O-N 2.91Å; L95-Y108 HydrophobicContact CD2-CD1 3.7Å; L95-Y108 HydrophobicContact CD2-CE1 4.14Å; L95-Y108 HydrophobicContact CD2-CG 4.45Å
96	Q	98.6	Very high	97.8	Very high	58 Å²	58	56.2 Å²	56.2	27%	0.271	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.8	-178.5	-66	-179.1	83.6	0	0	110.5	L38 Q39 F82 E83	L38-Q96 CarbonylContact O-C 3.52Å; L38-Q96 VanDerWaalsContact O-CA 3.31Å; L38-Q96 WeakPolarHBondContact O-CA 3.48Å; Q39-Q96 HydrophobicContact CB-CG 4.37Å; Q39-Q96 HydrophobicContact CG-CG 4.01Å; F82-Q96 WeakPolarHBondContact CA-O 3.49Å; E83-Q96 HydrophobicContact CG-CB 3.96Å; E83-Q96 PolarHBondContact N-O 2.92Å; E83-Q96 PolarHBondContact O-N 3.15Å
97	K	98.5	Very high	97.8	Very high	19 Å²	19	58.7 Å²	58.7	8%	0.083	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	126.1	169.2	-179.7	161.6	-179.1	159.7	0	109.1	S37 L38 N80 F82 S99 V100 D104	S37-K97 CarbonylContact C-O 3.58Å; S37-K97 WeakPolarHBondContact CA-O 3.19Å; L38-K97 HydrophobicContact CB-CB 4.47Å; L38-K97 PolarHBondContact N-O 3.03Å; L38-K97 PolarHBondContact O-N 2.03Å; N80-K97 VanDerWaalsContact O-CE 3.32Å; N80-K97 WeakPolarHBondContact O-CE 3.31Å; N80-K97 PolarHBondContact O-NZ 3.03Å; F82-K97 HydrophobicContact CD1-CB 3.79Å; F82-K97 HydrophobicContact CD1-CD 4.07Å; F82-K97 HydrophobicContact CD2-CD 3.96Å; F82-K97 HydrophobicContact CE1-CB 3.76Å; F82-K97 HydrophobicContact CE1-CD 3.74Å; F82-K97 HydrophobicContact CE1-CG 4.39Å; F82-K97 HydrophobicContact CE2-CD 3.61Å; F82-K97 HydrophobicContact CG-CB 4.47Å; F82-K97 HydrophobicContact CG-CD 4.18Å; F82-K97 HydrophobicContact CZ-CB 4.39Å; F82-K97 HydrophobicContact CZ-CD 3.49Å; F82-K97 VanDerWaalsContact CZ-CD 3.49Å; K97-S99 WeakPolarHBondContact CE-O 3.03Å; K97-S99 PolarHBondContact O-N 2.95Å; K97-V100 HydrophobicContact CB-CG1 4.43Å; K97-V100 HydrophobicContact CD-CG1 4.29Å; K97-V100 HydrophobicContact CG-CG1 4.33Å; K97-D104 WeakPolarHBondContact CE-OD2 3.35Å; K97-D104 IonicContact NZ-OD1 2.81Å; K97-D104 PolarHBondContact NZ-OD1 3.28Å; K97-D104 IonicContact NZ-OD2 2.8Å; K97-D104 PolarHBondContact NZ-OD2 2.92Å
98	A	98.2	Very high	97.9	Very high	89 Å²	89	58.8 Å²	58.8	74%	0.736	33%	0.334	S	S	*	.	S	Bend	trans	-66.7	-36.7	-173.4	0	0	0	0	0	113.6	S37	S37-A98 VanDerWaalsContact CA-O 3.26Å; S37-A98 WeakPolarHBondContact CA-O 3.43Å; S37-A98 PolarHBondContact N-O 2.78Å
99	S	98.1	Very high	98	Very high	69 Å²	69	55.5 Å²	55.5	48%	0.483	32%	0.32	S	S	.	.	S	Bend	trans	-143.5	110.1	179.4	173.8	0	0	0	0	109.2	G35 A36 K97	G35-S99 WeakPolarHBondContact CA-OG 3.01Å; A36-S99 WeakPolarHBondContact O-CA 3.34Å; K97-S99 WeakPolarHBondContact CE-O 3.03Å; K97-S99 PolarHBondContact O-N 2.95Å
100	V	98.2	Very high	98.1	Very high	9 Å²	9	51 Å²	51	6%	0.055	29%	0.288	C	S	.	.			trans	-78.9	152.8	176.4	-66	0	0	0	0	112.4	V32 S33 G35 A36 L38 K97 D104	V32-V100 HydrophobicContact CB-CG2 4.49Å; V32-V100 HydrophobicContact CG1-CG1 4.38Å; V32-V100 HydrophobicContact CG1-CG2 3.78Å; V32-V100 HydrophobicContact CG2-CG2 3.93Å; S33-V100 WeakPolarHBondContact O-CG2 3.39Å; G35-V100 PolarHBondContact N-O 2.88Å; A36-V100 WeakPolarHBondContact O-CG2 3.42Å; A36-V100 PolarHBondContact O-N 3.36Å; L38-V100 HydrophobicContact CB-CG1 3.42Å; L38-V100 VanDerWaalsContact CB-CG1 3.42Å; L38-V100 HydrophobicContact CD2-CG1 3.87Å; L38-V100 HydrophobicContact CG-CG1 4.26Å; K97-V100 HydrophobicContact CB-CG1 4.43Å; K97-V100 HydrophobicContact CD-CG1 4.29Å; K97-V100 HydrophobicContact CG-CG1 4.33Å; V100-D104 WeakPolarHBondContact CA-OD2 3.38Å
101	H	98	Very high	98.2	Very high	86 Å²	86	47.9 Å²	47.9	40%	0.398	28%	0.276	S	S	.	.			trans	-121.4	157.4	172.3	-177.3	-108	0	0	0	109.6	E34 S103 D104	E34-H101 WeakPolarHBondContact OE1-CA 3.41Å; E34-H101 IonicContact OE1-CD2 2.93Å; E34-H101 PolarHBondContact OE1-CD2 2.84Å; E34-H101 IonicContact OE1-CG 3.46Å; E34-H101 IonicContact OE1-NE2 3.62Å; H101-S103 WeakPolarHBondContact ND1-CB 3.41Å; H101-S103 PolarHBondContact ND1-N 3.04Å; H101-S103 PolarHBondContact ND1-OG 3.17Å; H101-S103 PolarHBondContact O-N 2.84Å; H101-D104 PolarHBondContact N-OD2 2.89Å; H101-D104 VanDerWaalsContact O-CB 3.3Å; H101-D104 WeakPolarHBondContact O-CB 3.47Å; H101-D104 PolarHBondContact O-N 2.89Å
102	W	96.7	Very high	98.2	Very high	179 Å²	179	47 Å²	47	68%	0.678	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-54.4	-30.5	-179.4	66.2	-96.7	0	0	0	113.3	E34 D104 S105	E34-W102 PolarHBondContact OE1-N 3Å; W102-D104 PolarHBondContact O-N 3.06Å; W102-S105 VanDerWaalsContact O-CB 3.3Å; W102-S105 WeakPolarHBondContact O-CB 3.3Å; W102-S105 PolarHBondContact O-N 3.28Å; W102-S105 PolarHBondContact O-OG 2.87Å
103	S	96.9	Very high	98	Very high	50 Å²	50	50.2 Å²	50.2	35%	0.35	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-67.4	-14	176.8	64.7	0	0	0	0	114.4	Y58 H101 S105	Y58-S103 WeakPolarHBondContact CE1-O 3.36Å; H101-S103 WeakPolarHBondContact ND1-CB 3.41Å; H101-S103 PolarHBondContact ND1-N 3.04Å; H101-S103 PolarHBondContact ND1-OG 3.17Å; H101-S103 PolarHBondContact O-N 2.84Å; S103-S105 PolarHBondContact O-N 2.98Å
104	D	97.9	Very high	97.9	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.053	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-79.2	-3.8	174.5	-62.2	-43.1	0	0	0	112.4	F82 K97 V100 H101 W102 A106 Y108	F82-D104 HydrophobicContact CZ-CB 4.25Å; K97-D104 WeakPolarHBondContact CE-OD2 3.35Å; K97-D104 IonicContact NZ-OD1 2.81Å; K97-D104 PolarHBondContact NZ-OD1 3.28Å; K97-D104 IonicContact NZ-OD2 2.8Å; K97-D104 PolarHBondContact NZ-OD2 2.92Å; V100-D104 WeakPolarHBondContact CA-OD2 3.38Å; H101-D104 PolarHBondContact N-OD2 2.89Å; H101-D104 VanDerWaalsContact O-CB 3.3Å; H101-D104 WeakPolarHBondContact O-CB 3.47Å; H101-D104 PolarHBondContact O-N 2.89Å; W102-D104 PolarHBondContact O-N 3.06Å; D104-A106 PolarHBondContact O-N 3.07Å; D104-Y108 WeakPolarHBondContact O-CE2 3.2Å; D104-Y108 PolarHBondContact O-OH 3.07Å
105	S	97.9	Very high	97.9	Very high	90 Å²	90	53.5 Å²	53.5	63%	0.629	31%	0.311	S	S	*	.			trans	-65.5	105.3	177.9	-59.2	0	0	0	0	111.3	W102 S103	W102-S105 VanDerWaalsContact O-CB 3.3Å; W102-S105 WeakPolarHBondContact O-CB 3.3Å; W102-S105 PolarHBondContact O-N 3.28Å; W102-S105 PolarHBondContact O-OG 2.87Å; S103-S105 PolarHBondContact O-N 2.98Å
106	A	98.2	Very high	97.8	Very high	31 Å²	31	56.4 Å²	56.4	26%	0.256	33%	0.328	S	S	.	.	S	Bend	trans	-159.3	176.2	-175.8	0	0	0	0	0	111.2	V56 Q57 Y58 D104 Y108	V56-A106 HydrophobicContact CG2-CB 3.46Å; V56-A106 VanDerWaalsContact CG2-CB 3.46Å; Q57-A106 WeakPolarHBondContact O-CB 3.29Å; Y58-A106 HydrophobicContact CD1-CB 3.71Å; Y58-A106 HydrophobicContact CE1-CB 3.82Å; Y58-A106 HydrophobicContact CG-CB 4.41Å; D104-A106 PolarHBondContact O-N 3.07Å; A106-Y108 HydrophobicContact CB-CD2 4.46Å; A106-Y108 HydrophobicContact CB-CE2 3.86Å
107	V	98.5	Very high	97.8	Very high	78 Å²	78	56.4 Å²	56.4	47%	0.473	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.3	166.1	-172.4	0	0	0	0	108.6	V56 Q57 F109	V56-V107 CarbonylContact C-O 3.57Å; V56-V107 WeakPolarHBondContact CA-O 3.38Å; Q57-V107 HydrophobicContact CB-CB 4.4Å; Q57-V107 PolarHBondContact N-O 2.88Å; Q57-V107 PolarHBondContact O-N 2.62Å; V107-F109 HydrophobicContact CB-CE2 3.92Å; V107-F109 HydrophobicContact CB-CZ 4.32Å; V107-F109 HydrophobicContact CG1-CD2 4.12Å; V107-F109 HydrophobicContact CG1-CE1 4.16Å; V107-F109 HydrophobicContact CG1-CE2 3.42Å; V107-F109 VanDerWaalsContact CG1-CE2 3.42Å; V107-F109 HydrophobicContact CG1-CZ 3.45Å; V107-F109 VanDerWaalsContact CG1-CZ 3.45Å
108	Y	98.6	Very high	97.7	Very high	20 Å²	20	58.7 Å²	58.7	8%	0.078	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.1	-179.1	-66.8	-98.1	0	0	0	110	Q25 L40 Y55 V56 L66 F82 L95 D104 A106	Q25-Y108 PolarHBondContact NE2-O 2.91Å; L40-Y108 HydrophobicContact CD1-CD1 4.24Å; L40-Y108 HydrophobicContact CD1-CD2 3.76Å; L40-Y108 HydrophobicContact CD1-CG 3.58Å; Y55-Y108 CarbonylContact O-C 3.5Å; Y55-Y108 WeakPolarHBondContact O-CA 3.45Å; V56-Y108 HydrophobicContact CB-CD1 4.13Å; V56-Y108 HydrophobicContact CB-CE1 4.05Å; V56-Y108 HydrophobicContact CG2-CD1 4.04Å; V56-Y108 HydrophobicContact CG2-CE1 3.67Å; V56-Y108 HydrophobicContact CG2-CE2 4.43Å; L66-Y108 HydrophobicContact CD2-CD1 4.03Å; L66-Y108 HydrophobicContact CD2-CE1 3.91Å; F82-Y108 HydrophobicContact CE1-CE1 4.03Å; F82-Y108 HydrophobicContact CE2-CE1 4.32Å; F82-Y108 AromaticContact CZ-CE1 3.78Å; F82-Y108 HydrophobicContact CZ-CE1 3.78Å; F82-Y108 AromaticContact CZ-CZ 3.79Å; F82-Y108 VanDerWaalsContact CZ-OH 3.26Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.48Å; L95-Y108 HydrophobicContact CD2-CD1 3.7Å; L95-Y108 HydrophobicContact CD2-CE1 4.14Å; L95-Y108 HydrophobicContact CD2-CG 4.45Å; D104-Y108 WeakPolarHBondContact O-CE2 3.2Å; D104-Y108 PolarHBondContact O-OH 3.07Å; A106-Y108 HydrophobicContact CB-CD2 4.46Å; A106-Y108 HydrophobicContact CB-CE2 3.86Å
109	F	98.7	Very high	97.7	Very high	81 Å²	81	56.7 Å²	56.7	36%	0.355	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.7	-177.8	-64.3	-87.1	0	0	0	110.1	W54 Y55 Q57 L63 V107	W54-F109 CarbonylContact C-O 3.52Å; W54-F109 WeakPolarHBondContact CA-O 3.3Å; Y55-F109 PolarHBondContact N-O 2.99Å; Y55-F109 PolarHBondContact O-N 3.04Å; Q57-F109 HydrophobicContact CB-CE2 3.97Å; L63-F109 HydrophobicContact CD2-CD2 3.42Å; L63-F109 VanDerWaalsContact CD2-CD2 3.42Å; L63-F109 HydrophobicContact CD2-CE2 3.69Å; L63-F109 HydrophobicContact CD2-CG 4.25Å; V107-F109 HydrophobicContact CB-CE2 3.92Å; V107-F109 HydrophobicContact CB-CZ 4.32Å; V107-F109 HydrophobicContact CG1-CD2 4.12Å; V107-F109 HydrophobicContact CG1-CE1 4.16Å; V107-F109 HydrophobicContact CG1-CE2 3.42Å; V107-F109 VanDerWaalsContact CG1-CE2 3.42Å; V107-F109 HydrophobicContact CG1-CZ 3.45Å; V107-F109 VanDerWaalsContact CG1-CZ 3.45Å
110	C	98.6	Very high	97.7	Very high	12 Å²	12	55.8 Å²	55.8	8%	0.081	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.7	166.9	-168.5	0	0	0	0	109	V23 Q25 C42 F53 W54	V23-C110 HydrophobicContact CG1-CB 3.83Å; Q25-C110 HydrophobicContact CG-CB 4.03Å; C42-C110 HydrophobicContact CB-CB 3.54Å; C42-C110 WeakPolarHBondContact CB-SG 3.34Å; C42-C110 WeakPolarHBondContact SG-CB 3.2Å; C42-C110 CovalentContact SG-SG 2.03Å; C42-C110 PolarHBondContact SG-SG 3.31Å; F53-C110 WeakPolarHBondContact O-CA 3.3Å; W54-C110 HydrophobicContact CD2-CB 4.16Å; W54-C110 HydrophobicContact CE3-CB 4.14Å; W54-C110 HydrophobicContact CH2-CB 3.86Å; W54-C110 HydrophobicContact CZ2-CB 3.86Å; W54-C110 HydrophobicContact CZ3-CB 3.99Å
111	A	98.5	Very high	97.7	Very high	32 Å²	32	59.4 Å²	59.4	26%	0.264	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.5	178.5	0	0	0	0	0	111.4	L52 F53	L52-A111 WeakPolarHBondContact CA-O 3.27Å; F53-A111 HydrophobicContact CB-CB 4.31Å; F53-A111 HydrophobicContact CD2-CB 4.49Å; F53-A111 PolarHBondContact N-O 3.08Å; F53-A111 PolarHBondContact O-N 3.46Å
112	L	97.3	Very high	97.6	Very high	29 Å²	29	57.2 Å²	57.2	15%	0.152	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143	-178.6	168.5	68.5	0	0	0	108.7	Q21 V23 Y46 P50 Y51 L52	Q21-L112 HydrophobicContact CB-CD2 3.75Å; Q21-L112 HydrophobicContact CG-CD2 4.17Å; V23-L112 HydrophobicContact CG2-CB 3.35Å; V23-L112 HydrophobicContact CG2-CD2 4.39Å; Y46-L112 HydrophobicContact CD1-CD1 4.04Å; Y46-L112 HydrophobicContact CG-CD2 4.33Å; P50-L112 HydrophobicContact CB-CD1 3.27Å; Y51-L112 CarbonylContact O-C 3.57Å; Y51-L112 WeakPolarHBondContact O-CA 3.05Å; L52-L112 HydrophobicContact CD2-CB 4.36Å; L52-L112 HydrophobicContact CD2-CD1 4.02Å; L52-L112 HydrophobicContact CG-CD1 4.46Å
113	S	93.8	Very high	97.7	Very high	74 Å²	74	46.1 Å²	46.1	52%	0.517	29%	0.292	S	S	.	.			trans	-134	0	165.2	179.4	0	0	0	0	111.4	Q21 Y51	Q21-S113 PolarHBondContact NE2-OXT 3.4Å; Y51-S113 PolarHBondContact N-O 3.08Å; Y51-S113 PolarHBondContact O-N 2.72Å

Retrieved 113 of 113 residues in 136.5 ms (Link to these results)

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