A0A060VRV5_ONCMY Loading...

Acylphosphatase

AlphaFold DB , UniProt , Accession A0A060VRV5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 124 aa.

						>A0A060VRV5_ONCMY|A0A060VRV5
MGSVESLYSLVLSLVVILLAMSTNVDVGGEKLASVDFEIFGNVQGVCFRMYTEDQGKKLGVNGWVKNTREGTVVGQLQGPHDKVKEMKVWLSKVGSPSSRIDHAEFSNERDIPKLEIHGFGTRY
					

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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	59.5	Low	75.7	Confident	214 Å²	214	112.8 Å²	112.8	100%	1.054	63%	0.633	S	S	*	*				0	-21	0	-94	130.7	103.6	0	0	114.6
2	G	61.1	Low	76.5	Confident	54 Å²	54	113.1 Å²	113.1	56%	0.557	63%	0.631	S	S	*	*	H	α-helix	trans	-81.1	-13.2	-174.1	0	0	0	0	0	118.7
3	S	65.1	Low	77	Confident	106 Å²	106	108.3 Å²	108.3	74%	0.741	61%	0.61	S	S	*	*	H	α-helix	trans	-77.7	-33.8	-174.7	-50.9	0	0	0	0	113.6	L7	S3-L7 PolarHBondContact O-N 3.35Å
4	V	74.1	Confident	77.4	Confident	93 Å²	93	108 Å²	108	56%	0.564	61%	0.605	S	S	*	*	H	α-helix	trans	-76.8	-41.4	-178.9	-66.8	0	0	0	0	111.5	S6 L7 Y8	V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.44Å; V4-L7 PolarHBondContact O-N 2.9Å; V4-Y8 VanDerWaalsContact O-CD2 3.31Å; V4-Y8 WeakPolarHBondContact O-CD2 3.4Å; V4-Y8 PolarHBondContact O-N 2.88Å
5	E	79.6	Confident	77.8	Confident	141 Å²	141	105.3 Å²	105.3	66%	0.659	59%	0.592	S	S	*	*	H	α-helix	trans	-64.1	-37.3	179.9	-63.7	-177	157.9	0	0	112.4	Y8 S9	E5-Y8 PolarHBondContact O-N 2.71Å; E5-S9 PolarHBondContact O-N 3.49Å
6	S	78.3	Confident	77.9	Confident	71 Å²	71	104 Å²	104	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-64.7	-41.4	176.3	-170	0	0	0	0	112.1	V4 S9 L10	V4-S6 VanDerWaalsContact C-N 3.32Å; V4-S6 PolarHBondContact O-N 3.44Å; S6-S9 PolarHBondContact O-N 2.96Å; S6-L10 PolarHBondContact O-N 2.79Å; S6-L10 VanDerWaalsContact O-N 3.1Å
7	L	79.3	Confident	77.8	Confident	111 Å²	111	103.8 Å²	103.8	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-66.5	-42.7	176.3	-171.2	67.6	0	0	0	111.3	S3 V4 S9 L10 V11	S3-L7 PolarHBondContact O-N 3.35Å; V4-L7 PolarHBondContact O-N 2.9Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.93Å; L7-L10 PolarHBondContact O-N 2.88Å; L7-V11 HydrophobicContact CD1-CG2 4.43Å; L7-V11 HydrophobicContact CG-CG2 4.36Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 2.79Å
8	Y	83.6	Confident	77.5	Confident	187 Å²	187	104.1 Å²	104.1	73%	0.733	58%	0.582	S	S	*	*	H	α-helix	trans	-59.2	-41.1	175.3	-92.5	-86.8	0	0	0	112.3	V4 E5 L12	V4-Y8 VanDerWaalsContact O-CD2 3.31Å; V4-Y8 WeakPolarHBondContact O-CD2 3.4Å; V4-Y8 PolarHBondContact O-N 2.88Å; E5-Y8 PolarHBondContact O-N 2.71Å; Y8-L12 WeakPolarHBondContact O-CB 3.44Å; Y8-L12 PolarHBondContact O-N 3.47Å
9	S	83.1	Confident	77.2	Confident	78 Å²	78	104.3 Å²	104.3	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-65.9	-41.4	178	-171.1	0	0	0	0	112.9	E5 S6 L7 S13	E5-S9 PolarHBondContact O-N 3.49Å; S6-S9 PolarHBondContact O-N 2.96Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 2.93Å; S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.18Å; S9-S13 PolarHBondContact O-OG 3.06Å
10	L	84.7	Confident	76.7	Confident	111 Å²	111	102 Å²	102	58%	0.581	58%	0.577	S	S	*	*	H	α-helix	trans	-66.6	-42.3	176.5	-77.3	166	0	0	0	112.3	S6 L7 S13 L14	S6-L10 PolarHBondContact O-N 2.79Å; S6-L10 VanDerWaalsContact O-N 3.1Å; L7-L10 PolarHBondContact O-N 2.88Å; L10-S13 WeakPolarHBondContact CA-OG 3.49Å; L10-S13 PolarHBondContact O-OG 2.89Å; L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 PolarHBondContact O-N 2.91Å
11	V	84.8	Confident	76.2	Confident	75 Å²	75	104.6 Å²	104.6	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-69.9	-40.5	178.5	-176.7	0	0	0	0	110.3	L7 L14 V15	L7-V11 HydrophobicContact CD1-CG2 4.43Å; L7-V11 HydrophobicContact CG-CG2 4.36Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 2.79Å; V11-L14 PolarHBondContact O-N 2.91Å; V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.27Å; V11-V15 PolarHBondContact O-N 2.81Å
12	L	85.5	Confident	76.1	Confident	116 Å²	116	98.7 Å²	98.7	61%	0.607	57%	0.566	S	S	*	*	H	α-helix	trans	-63.2	-44	176.2	-171.6	64.6	0	0	0	111.8	Y8 V15 V16	Y8-L12 WeakPolarHBondContact O-CB 3.44Å; Y8-L12 PolarHBondContact O-N 3.47Å; L12-V15 PolarHBondContact O-N 2.73Å; L12-V16 WeakPolarHBondContact O-CB 3.27Å; L12-V16 VanDerWaalsContact O-CG2 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.06Å
13	S	82.6	Confident	75.6	Confident	51 Å²	51	100.9 Å²	100.9	36%	0.357	57%	0.568	S	S	.	*	H	α-helix	trans	-66.4	-39.9	176.4	54.2	0	0	0	0	112.4	S9 L10 V15 V16 I17	S9-S13 WeakPolarHBondContact O-CB 3.38Å; S9-S13 PolarHBondContact O-N 3.18Å; S9-S13 PolarHBondContact O-OG 3.06Å; L10-S13 WeakPolarHBondContact CA-OG 3.49Å; L10-S13 PolarHBondContact O-OG 2.89Å; S13-V15 VanDerWaalsContact C-N 3.34Å; S13-V15 PolarHBondContact O-N 3.44Å; S13-V16 PolarHBondContact O-N 2.83Å; S13-I17 WeakPolarHBondContact O-CB 3.44Å; S13-I17 WeakPolarHBondContact O-CD1 3.23Å; S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 2.66Å
14	L	83.1	Confident	75.3	Confident	104 Å²	104	103.2 Å²	103.2	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-60.6	-43.9	172.9	-167.8	84.1	0	0	0	111.3	L10 V11 I17 L18	L10-L14 WeakPolarHBondContact O-CB 3.3Å; L10-L14 PolarHBondContact O-N 2.91Å; V11-L14 PolarHBondContact O-N 2.91Å; L14-I17 PolarHBondContact O-N 3.28Å; L14-L18 HydrophobicContact CD2-CD1 4.32Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 WeakPolarHBondContact O-CG 3.22Å; L14-L18 PolarHBondContact O-N 3.06Å
15	V	82.3	Confident	74.2	Confident	67 Å²	67	104.2 Å²	104.2	41%	0.406	58%	0.579	S	S	.	*	H	α-helix	trans	-64	-42.4	176.3	170.2	0	0	0	0	111.1	V11 L12 S13 L18 L19	V11-V15 WeakPolarHBondContact O-CB 3.4Å; V11-V15 VanDerWaalsContact O-CG2 3.25Å; V11-V15 WeakPolarHBondContact O-CG2 3.27Å; V11-V15 PolarHBondContact O-N 2.81Å; L12-V15 PolarHBondContact O-N 2.73Å; S13-V15 VanDerWaalsContact C-N 3.34Å; S13-V15 PolarHBondContact O-N 3.44Å; V15-L18 PolarHBondContact O-N 3.07Å; V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CB 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.26Å; V15-L19 PolarHBondContact O-N 3.12Å
16	V	79.7	Confident	72.9	Confident	85 Å²	85	103.3 Å²	103.3	52%	0.515	58%	0.578	S	S	.	*	H	α-helix	trans	-64.2	-40.7	175.9	170.7	0	0	0	0	111.4	L12 S13 L19 A20	L12-V16 WeakPolarHBondContact O-CB 3.27Å; L12-V16 VanDerWaalsContact O-CG2 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.3Å; L12-V16 PolarHBondContact O-N 3.06Å; S13-V16 PolarHBondContact O-N 2.83Å; V16-L19 PolarHBondContact O-N 3.11Å; V16-A20 VanDerWaalsContact O-CB 3.27Å; V16-A20 WeakPolarHBondContact O-CB 3.34Å; V16-A20 PolarHBondContact O-N 2.91Å
17	I	75.9	Confident	71.5	Confident	100 Å²	100	106.3 Å²	106.3	51%	0.513	59%	0.593	S	S	.	*	H	α-helix	trans	-65.6	-44.4	175.8	-69.7	163.1	0	0	0	110.5	S13 L14 L19 A20 M21	S13-I17 WeakPolarHBondContact O-CB 3.44Å; S13-I17 WeakPolarHBondContact O-CD1 3.23Å; S13-I17 WeakPolarHBondContact O-CG1 3.37Å; S13-I17 PolarHBondContact O-N 2.66Å; L14-I17 PolarHBondContact O-N 3.28Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.27Å; I17-A20 PolarHBondContact O-N 2.83Å; I17-M21 HydrophobicContact CG2-CG 4.31Å; I17-M21 WeakPolarHBondContact O-CG 3.32Å; I17-M21 PolarHBondContact O-N 2.79Å
18	L	73.1	Confident	70	Confident	109 Å²	109	103.1 Å²	103.1	57%	0.571	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-40.1	176	-75.1	171	0	0	0	111.9	L14 V15 S22	L14-L18 HydrophobicContact CD2-CD1 4.32Å; L14-L18 HydrophobicContact CG-CD1 4.15Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 WeakPolarHBondContact O-CG 3.22Å; L14-L18 PolarHBondContact O-N 3.06Å; V15-L18 PolarHBondContact O-N 3.07Å; L18-S22 PolarHBondContact O-N 2.87Å
19	L	71.2	Confident	68.7	Low	109 Å²	109	97.9 Å²	97.9	57%	0.571	59%	0.59	S	S	*	*	H	α-helix	trans	-66.9	-41.7	174.4	-71.2	171.7	0	0	0	111.5	V15 V16 I17 M21 S22 T23	V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CB 3.27Å; V15-L19 WeakPolarHBondContact O-CG 3.26Å; V15-L19 PolarHBondContact O-N 3.12Å; V16-L19 PolarHBondContact O-N 3.11Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 3.27Å; L19-M21 VanDerWaalsContact C-N 3.35Å; L19-M21 PolarHBondContact O-N 2.98Å; L19-S22 PolarHBondContact O-N 2.9Å; L19-S22 VanDerWaalsContact O-N 3.16Å; L19-T23 PolarHBondContact O-N 3.21Å
20	A	67.4	Low	68	Low	58 Å²	58	100 Å²	100	48%	0.479	59%	0.591	S	S	.	*	H	α-helix	trans	-68.2	-30.2	178.7	0	0	0	0	0	113.4	V16 I17 S22	V16-A20 VanDerWaalsContact O-CB 3.27Å; V16-A20 WeakPolarHBondContact O-CB 3.34Å; V16-A20 PolarHBondContact O-N 2.91Å; I17-A20 PolarHBondContact O-N 2.83Å; A20-S22 VanDerWaalsContact C-N 3.27Å
21	M	65.7	Low	68.2	Low	156 Å²	156	101.9 Å²	101.9	77%	0.768	60%	0.595	S	S	*	*	H	α-helix	trans	-74	-18.9	174	-62	-105.1	84.6	0	0	112.6	I17 L19	I17-M21 HydrophobicContact CG2-CG 4.31Å; I17-M21 WeakPolarHBondContact O-CG 3.32Å; I17-M21 PolarHBondContact O-N 2.79Å; L19-M21 VanDerWaalsContact C-N 3.35Å; L19-M21 PolarHBondContact O-N 2.98Å
22	S	58.8	Low	68.7	Low	91 Å²	91	99.8 Å²	99.8	64%	0.636	58%	0.581	S	S	*	*	H	α-helix	trans	-90.8	-16	-176.5	-159.4	0	0	0	0	113.4	L18 L19 A20	L18-S22 PolarHBondContact O-N 2.87Å; L19-S22 PolarHBondContact O-N 2.9Å; L19-S22 VanDerWaalsContact O-N 3.16Å; A20-S22 VanDerWaalsContact C-N 3.27Å
23	T	49.9	Very low	69.2	Low	99 Å²	99	94.3 Å²	94.3	61%	0.607	55%	0.552	S	S	*	*			trans	-115.3	75.2	-174.1	61.4	0	0	0	0	112.1	L19	L19-T23 PolarHBondContact O-N 3.21Å
24	N	58.8	Low	69.9	Low	155 Å²	155	91.9 Å²	91.9	83%	0.829	54%	0.535	S	S	*	.			trans	-130.1	52.1	150	-75.4	-56.4	0	0	0	108.6
25	V	52	Low	70.6	Confident	115 Å²	115	86.9 Å²	86.9	70%	0.697	51%	0.509	S	S	*	.			trans	-100.5	93.9	159.9	-174.5	0	0	0	0	105.1	V27	V25-V27 VanDerWaalsContact C-N 3.31Å; V25-V27 HydrophobicContact CB-CG2 4.39Å; V25-V27 HydrophobicContact CG1-CG2 3.64Å; V25-V27 PolarHBondContact O-N 2.85Å
26	D	50.6	Low	71.4	Confident	122 Å²	122	85.4 Å²	85.4	65%	0.652	50%	0.499	S	S	*	.			trans	-65.4	95.1	167.7	-168.3	-76.1	0	0	0	107.4	G28	D26-G28 PolarHBondContact O-N 3.3Å; D26-G28 WeakPolarHBondContact OD1-CA 3.32Å; D26-G28 PolarHBondContact OD1-N 3.37Å; D26-G28 VanDerWaalsContact OD1-N 3.12Å
27	V	49.3	Very low	72.2	Confident	134 Å²	134	81.6 Å²	81.6	81%	0.812	48%	0.475	S	S	*	.			trans	-88.6	46.1	171.3	-164.7	0	0	0	0	108.6	V25	V25-V27 VanDerWaalsContact C-N 3.31Å; V25-V27 HydrophobicContact CB-CG2 4.39Å; V25-V27 HydrophobicContact CG1-CG2 3.64Å; V25-V27 PolarHBondContact O-N 2.85Å
28	G	47.8	Very low	73.3	Confident	43 Å²	43	79.2 Å²	79.2	44%	0.443	46%	0.462	S	S	.	.	S	Bend	trans	-98.8	103.7	162.1	0	0	0	0	0	107.1	D26 E30	D26-G28 PolarHBondContact O-N 3.3Å; D26-G28 WeakPolarHBondContact OD1-CA 3.32Å; D26-G28 PolarHBondContact OD1-N 3.37Å; D26-G28 VanDerWaalsContact OD1-N 3.12Å; G28-E30 PolarHBondContact O-N 3.45Å
29	G	56.7	Low	74.5	Confident	77 Å²	77	74 Å²	74	79%	0.794	44%	0.435	S	S	*	.			trans	-11.8	100.2	-172.2	0	0	0	0	0	114.3	K31	G29-K31 PolarHBondContact O-N 2.89Å
30	E	69.2	Low	75.7	Confident	123 Å²	123	71.1 Å²	71.1	58%	0.575	42%	0.417	S	S	*	.			trans	-47.2	111.1	-162.9	-68.1	-171.2	135.3	0	0	110.7	G28 L32 P80	G28-E30 PolarHBondContact O-N 3.45Å; E30-L32 PolarHBondContact O-N 2.98Å; E30-L32 VanDerWaalsContact O-N 3.11Å; E30-P80 HydrophobicContact CB-CB 4.24Å; E30-P80 HydrophobicContact CB-CG 4.39Å; E30-P80 WeakPolarHBondContact OE2-CG 3.18Å
31	K	88.8	Confident	77	Confident	151 Å²	151	69.6 Å²	69.6	66%	0.657	41%	0.408	S	S	*	.			trans	-57.9	124.2	171.9	-78.3	-174.7	178	-176.7	0	107.1	G29 H81	G29-K31 PolarHBondContact O-N 2.89Å; K31-H81 PolarHBondContact O-CD2 3.01Å; K31-H81 VanDerWaalsContact O-CD2 3.28Å; K31-H81 PolarHBondContact O-N 3.39Å
32	L	94.4	Very high	78.4	Confident	31 Å²	31	66.1 Å²	66.1	16%	0.162	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.7	177.4	-57.5	174.5	0	0	0	108.6	E30 G79 P80 D111 I112 L115	E30-L32 PolarHBondContact O-N 2.98Å; E30-L32 VanDerWaalsContact O-N 3.11Å; L32-G79 CarbonylContact C-O 3.55Å; L32-G79 VanDerWaalsContact CA-O 3.3Å; L32-G79 WeakPolarHBondContact CA-O 3.14Å; L32-P80 HydrophobicContact CD2-CG 4.28Å; L32-D111 WeakPolarHBondContact O-CA 3.17Å; L32-I112 HydrophobicContact CB-CD1 4.11Å; L32-I112 HydrophobicContact CB-CG1 3.46Å; L32-I112 VanDerWaalsContact CB-CG1 3.46Å; L32-I112 HydrophobicContact CD1-CG1 4.45Å; L32-I112 PolarHBondContact O-N 3.03Å; L32-L115 HydrophobicContact CD1-CD2 4.3Å; L32-L115 HydrophobicContact CD1-CG 4.1Å; L32-L115 HydrophobicContact CD2-CD2 4.49Å
33	A	96.1	Very high	80	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	147.4	171.9	0	0	0	0	0	109.9	Q78 G79 V84 R110	A33-Q78 VanDerWaalsContact O-CA 3.27Å; A33-Q78 WeakPolarHBondContact O-CA 3.5Å; A33-G79 PolarHBondContact N-O 3.15Å; A33-G79 PolarHBondContact O-N 2.87Å; A33-V84 HydrophobicContact CB-CB 4.5Å; A33-V84 HydrophobicContact CB-CG1 4.45Å; A33-V84 HydrophobicContact CB-CG2 4.3Å; A33-R110 CarbonylContact C-O 3.58Å; A33-R110 WeakPolarHBondContact CA-O 3.44Å
34	S	97.3	Very high	82	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134	161.6	-174.7	0	0	0	0	108.2	Q76 L77 Q78 E109 R110	S34-Q76 PolarHBondContact OG-NE2 3.32Å; S34-L77 CarbonylContact C-O 3.53Å; S34-L77 VanDerWaalsContact CA-O 3.27Å; S34-L77 WeakPolarHBondContact CA-O 3.34Å; S34-Q78 PolarHBondContact OG-NE2 3.5Å; S34-E109 CarbonylContact O-C 3.58Å; S34-E109 VanDerWaalsContact O-CA 3.3Å; S34-E109 WeakPolarHBondContact O-CA 3.47Å; S34-R110 PolarHBondContact N-O 3.01Å; S34-R110 PolarHBondContact O-N 2.63Å
35	V	98	Very high	83.5	Confident	0 Å²	0	57 Å²	57	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	136.9	176.9	62.1	0	0	0	0	110	Q76 L77 V84 F106 E109	V35-Q76 CarbonylContact O-C 3.56Å; V35-Q76 WeakPolarHBondContact O-CA 3.31Å; V35-L77 HydrophobicContact CG1-CB 3.86Å; V35-L77 HydrophobicContact CG1-CD1 4.17Å; V35-L77 HydrophobicContact CG1-CG 4.41Å; V35-L77 PolarHBondContact N-O 3.16Å; V35-L77 PolarHBondContact O-N 3.39Å; V35-V84 HydrophobicContact CB-CG1 4.48Å; V35-V84 HydrophobicContact CG1-CG1 3.44Å; V35-V84 VanDerWaalsContact CG1-CG1 3.44Å; V35-F106 HydrophobicContact CG2-CB 3.98Å; V35-F106 HydrophobicContact CG2-CD1 4.29Å; V35-E109 HydrophobicContact CB-CB 4.36Å; V35-E109 HydrophobicContact CB-CG 4.27Å; V35-E109 HydrophobicContact CG2-CB 4.09Å; V35-E109 HydrophobicContact CG2-CG 4.34Å
36	D	98.4	Very high	85.4	Confident	36 Å²	36	52.5 Å²	52.5	19%	0.193	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	147.2	171.3	-62.9	-17.1	0	0	0	109	G75 Q76 F106 S107 N108	D36-G75 WeakPolarHBondContact CA-O 3.4Å; D36-Q76 VanDerWaalsContact OD1-CG 3.23Å; D36-Q76 WeakPolarHBondContact OD1-CG 3.36Å; D36-Q76 PolarHBondContact OD1-NE2 3.1Å; D36-F106 CarbonylContact O-C 3.59Å; D36-F106 WeakPolarHBondContact O-CA 3.27Å; D36-S107 PolarHBondContact N-O 3.03Å; D36-S107 PolarHBondContact O-N 3.43Å; D36-N108 HydrophobicContact CB-CB 4.34Å; D36-N108 WeakPolarHBondContact OD2-CB 3.44Å; D36-N108 PolarHBondContact OD2-ND2 3.34Å
37	F	97.9	Very high	87.4	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.018	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.2	178.6	67.3	-94	0	0	0	111.9	I39 T52 V65 V73 V74 G75 L77 L91 E105 F106	F37-I39 HydrophobicContact CD2-CD1 3.9Å; F37-I39 HydrophobicContact CD2-CG1 3.84Å; F37-I39 HydrophobicContact CE2-CG1 4.21Å; F37-T52 HydrophobicContact CZ-CG2 4.32Å; F37-V65 HydrophobicContact CE2-CG2 4.28Å; F37-V65 HydrophobicContact CZ-CB 4.32Å; F37-V65 HydrophobicContact CZ-CG2 4.07Å; F37-V73 HydrophobicContact CE2-CG1 4.47Å; F37-V74 CarbonylContact O-C 3.57Å; F37-V74 VanDerWaalsContact O-CA 3.24Å; F37-V74 WeakPolarHBondContact O-CA 3.38Å; F37-G75 VanDerWaalsContact CD1-C 3.45Å; F37-G75 WeakPolarHBondContact CD1-O 3.37Å; F37-G75 VanDerWaalsContact CE1-CA 3.43Å; F37-G75 VanDerWaalsContact CZ-CA 3.44Å; F37-G75 PolarHBondContact N-O 2.91Å; F37-G75 PolarHBondContact O-N 2.86Å; F37-L77 HydrophobicContact CD1-CD1 4.22Å; F37-L77 HydrophobicContact CD1-CD2 4.32Å; F37-L77 HydrophobicContact CD1-CG 3.8Å; F37-L77 HydrophobicContact CE1-CD2 3.84Å; F37-L77 HydrophobicContact CE1-CG 3.82Å; F37-L91 HydrophobicContact CB-CD1 4.5Å; F37-L91 HydrophobicContact CD1-CD1 4.05Å; F37-L91 HydrophobicContact CD2-CD1 4.1Å; F37-L91 HydrophobicContact CE1-CD1 4.22Å; F37-L91 HydrophobicContact CE2-CD1 4.28Å; F37-L91 HydrophobicContact CE2-CD2 4.32Å; F37-L91 HydrophobicContact CG-CD1 3.96Å; F37-L91 HydrophobicContact CZ-CD1 4.33Å; F37-E105 CarbonylContact C-O 3.6Å; F37-E105 VanDerWaalsContact CA-O 3.26Å; F37-E105 WeakPolarHBondContact CA-O 3.11Å; F37-F106 HydrophobicContact CB-CD1 3.71Å; F37-F106 HydrophobicContact CB-CE1 3.76Å
38	E	98.1	Very high	89.5	Confident	51 Å²	51	44.1 Å²	44.1	24%	0.238	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	127.1	168.3	-173	159.5	-162.5	0	0	110.1	F40 T72 V73 V74 A104 E105	E38-F40 HydrophobicContact CB-CE2 3.95Å; E38-F40 HydrophobicContact CB-CZ 4.34Å; E38-F40 HydrophobicContact CG-CD2 4.27Å; E38-F40 HydrophobicContact CG-CE1 4.37Å; E38-F40 HydrophobicContact CG-CE2 3.59Å; E38-F40 HydrophobicContact CG-CZ 3.64Å; E38-T72 HydrophobicContact CG-CG2 4.47Å; E38-T72 WeakPolarHBondContact OE1-CB 3.06Å; E38-T72 PolarHBondContact OE1-OG1 2.83Å; E38-V73 CarbonylContact C-O 3.57Å; E38-V73 WeakPolarHBondContact CA-O 3.4Å; E38-V74 HydrophobicContact CB-CG1 3.91Å; E38-V74 HydrophobicContact CG-CG1 3.59Å; E38-A104 WeakPolarHBondContact O-CA 3.19Å; E38-E105 PolarHBondContact N-O 2.89Å; E38-E105 PolarHBondContact O-N 3.46Å
39	I	97.6	Very high	91.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.3	-177.1	-44.5	-56.9	0	0	0	109.2	F37 V43 F48 T72 V73 L91 I101 A104	F37-I39 HydrophobicContact CD2-CD1 3.9Å; F37-I39 HydrophobicContact CD2-CG1 3.84Å; F37-I39 HydrophobicContact CE2-CG1 4.21Å; I39-V43 HydrophobicContact CG2-CG1 3.94Å; I39-F48 HydrophobicContact CB-CZ 4.44Å; I39-F48 HydrophobicContact CG1-CE1 4.2Å; I39-F48 HydrophobicContact CG1-CZ 4.24Å; I39-F48 HydrophobicContact CG2-CZ 3.98Å; I39-T72 WeakPolarHBondContact O-CA 3.46Å; I39-T72 VanDerWaalsContact O-CB 3.31Å; I39-T72 WeakPolarHBondContact O-CB 3.33Å; I39-V73 HydrophobicContact CB-CB 4.42Å; I39-V73 PolarHBondContact N-O 3.48Å; I39-V73 PolarHBondContact O-N 3.39Å; I39-V73 VanDerWaalsContact O-N 3.09Å; I39-L91 HydrophobicContact CD1-CB 3.95Å; I39-L91 HydrophobicContact CD1-CD2 4.3Å; I39-L91 HydrophobicContact CG1-CD2 4.35Å; I39-I101 HydrophobicContact CG2-CB 4.5Å; I39-I101 HydrophobicContact CG2-CG1 4.15Å; I39-I101 HydrophobicContact CG2-CG2 3.77Å; I39-A104 HydrophobicContact CD1-CB 3.56Å
40	F	96.6	Very high	93.4	Very high	47 Å²	47	47.3 Å²	47.3	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146	-178.6	-61.2	-97.9	0	0	0	110.8	E38 T72 D102 H103 E105	E38-F40 HydrophobicContact CB-CE2 3.95Å; E38-F40 HydrophobicContact CB-CZ 4.34Å; E38-F40 HydrophobicContact CG-CD2 4.27Å; E38-F40 HydrophobicContact CG-CE1 4.37Å; E38-F40 HydrophobicContact CG-CE2 3.59Å; E38-F40 HydrophobicContact CG-CZ 3.64Å; F40-T72 HydrophobicContact CD1-CG2 3.4Å; F40-T72 HydrophobicContact CE1-CG2 3.63Å; F40-T72 HydrophobicContact CG-CG2 4.07Å; F40-T72 HydrophobicContact CZ-CG2 4.45Å; F40-D102 PolarHBondContact O-N 3.24Å; F40-H103 WeakPolarHBondContact CB-CE1 3.48Å; F40-H103 AromaticContact CD1-CE1 3.87Å; F40-H103 AromaticContact CD2-CD2 3.58Å; F40-H103 AromaticContact CD2-CE1 3.56Å; F40-H103 AromaticContact CD2-NE2 3.17Å; F40-H103 WeakPolarHBondContact CD2-NE2 3.42Å; F40-H103 AromaticContact CE2-NE2 3.58Å; F40-H103 AromaticContact CG-CE1 3.3Å; F40-H103 WeakPolarHBondContact CG-CE1 3.22Å; F40-H103 AromaticContact CG-ND1 3.96Å; F40-H103 AromaticContact CG-NE2 3.42Å; F40-H103 WeakPolarHBondContact CG-NE2 3.13Å; F40-H103 PolarHBondContact N-O 2.86Å; F40-E105 HydrophobicContact CD2-CG 4.4Å; F40-E105 HydrophobicContact CE2-CB 4.18Å; F40-E105 HydrophobicContact CE2-CG 3.75Å
41	G	94.8	Very high	94.7	Very high	27 Å²	27	46 Å²	46	28%	0.278	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.8	-153.3	176.4	0	0	0	0	0	112.6	V43 R100 D102	G41-V43 PolarHBondContact O-N 3.28Å; G41-V43 VanDerWaalsContact O-N 3.13Å; G41-R100 CarbonylContact C-O 3.46Å; G41-R100 WeakPolarHBondContact CA-O 3.5Å; G41-D102 VanDerWaalsContact CA-OD2 3.3Å; G41-D102 WeakPolarHBondContact CA-OD2 3.19Å
42	N	94.6	Very high	95	Very high	82 Å²	82	38.8 Å²	38.8	44%	0.439	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	80.4	175.7	-169.1	2.7	0	0	0	110.1	S99 R100	N42-S99 VanDerWaalsContact O-CA 3.28Å; N42-S99 WeakPolarHBondContact O-CA 3.31Å; N42-S99 WeakPolarHBondContact O-CB 3.35Å; N42-R100 HydrophobicContact CB-CB 4.07Å; N42-R100 PolarHBondContact N-O 3.42Å; N42-R100 PolarHBondContact O-N 3.29Å
43	V	93.4	Very high	95.1	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	22%	0.223	C	C	.	.			trans	-120.4	-6.3	-170.9	-66.4	0	0	0	0	114.3	I39 G41 V46 F48 V73 I101	I39-V43 HydrophobicContact CG2-CG1 3.94Å; G41-V43 PolarHBondContact O-N 3.28Å; G41-V43 VanDerWaalsContact O-N 3.13Å; V43-V46 WeakPolarHBondContact O-CG2 3.43Å; V43-F48 HydrophobicContact CB-CD2 4.11Å; V43-F48 HydrophobicContact CB-CE2 4.5Å; V43-F48 HydrophobicContact CB-CG 4.28Å; V43-F48 HydrophobicContact CG1-CD2 3.99Å; V43-F48 HydrophobicContact CG1-CE2 3.94Å; V43-F48 WeakPolarHBondContact O-CB 3.14Å; V43-V73 HydrophobicContact CB-CG2 3.91Å; V43-V73 HydrophobicContact CG2-CB 4.32Å; V43-V73 HydrophobicContact CG2-CG2 3.68Å; V43-I101 HydrophobicContact CG1-CG1 4.45Å
44	Q	91.1	Very high	95.1	Very high	65 Å²	65	42.8 Å²	42.8	30%	0.304	24%	0.24	S	C	.	.	S	Bend	trans	-101.5	151.1	174	-61.4	-165.8	1.7	0	0	111.6	V46 T68 G71 T72	Q44-V46 PolarHBondContact O-N 2.86Å; Q44-T68 PolarHBondContact NE2-O 3.4Å; Q44-G71 VanDerWaalsContact NE2-C 3.29Å; Q44-G71 VanDerWaalsContact NE2-CA 3.33Å; Q44-T72 PolarHBondContact NE2-O 3.35Å
45	G	91.2	Very high	95.1	Very high	86 Å²	86	44.6 Å²	44.6	89%	0.887	25%	0.249	S	C	*	.	S	Bend	trans	74.1	-0.1	-176	0	0	0	0	0	115.3
46	V	92.8	Very high	94.9	Very high	22 Å²	22	44.6 Å²	44.6	13%	0.133	25%	0.249	C	C	.	.	S	Bend	trans	-115.1	24.6	-173.4	-62	0	0	0	0	113.2	V43 Q44 F48 S96 S98	V43-V46 WeakPolarHBondContact O-CG2 3.43Å; Q44-V46 PolarHBondContact O-N 2.86Å; V46-F48 HydrophobicContact CG2-CB 4.18Å; V46-F48 PolarHBondContact O-N 3.13Å; V46-S96 VanDerWaalsContact O-CB 3.26Å; V46-S96 WeakPolarHBondContact O-CB 3.37Å; V46-S96 PolarHBondContact O-OG 2.77Å; V46-S98 WeakPolarHBondContact CG1-O 3.09Å
47	C	92.3	Very high	94.7	Very high	76 Å²	76	48.6 Å²	48.6	51%	0.514	26%	0.264	S	S	.	.			trans	55.5	20.9	-177.6	-63.1	0	0	0	0	115.2	R49 M50 Y51	C47-R49 VanDerWaalsContact C-N 3.27Å; C47-R49 PolarHBondContact O-N 2.64Å; C47-M50 HydrophobicContact CB-CB 4.49Å; C47-M50 WeakPolarHBondContact O-CB 3.38Å; C47-M50 PolarHBondContact O-N 3.04Å; C47-Y51 HydrophobicContact CB-CD2 4.24Å; C47-Y51 HydrophobicContact CB-CE2 4.21Å; C47-Y51 WeakPolarHBondContact O-CD2 3.24Å; C47-Y51 PolarHBondContact O-N 3.33Å
48	F	91.9	Very high	94.6	Very high	4 Å²	4	55 Å²	55	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-53.3	-42.5	-175.9	-164.5	-84.3	0	0	0	113.4	I39 V43 V46 M50 Y51 T52 V73 L91 I101	I39-F48 HydrophobicContact CB-CZ 4.44Å; I39-F48 HydrophobicContact CG1-CE1 4.2Å; I39-F48 HydrophobicContact CG1-CZ 4.24Å; I39-F48 HydrophobicContact CG2-CZ 3.98Å; V43-F48 HydrophobicContact CB-CD2 4.11Å; V43-F48 HydrophobicContact CB-CE2 4.5Å; V43-F48 HydrophobicContact CB-CG 4.28Å; V43-F48 HydrophobicContact CG1-CD2 3.99Å; V43-F48 HydrophobicContact CG1-CE2 3.94Å; V43-F48 WeakPolarHBondContact O-CB 3.14Å; V46-F48 HydrophobicContact CG2-CB 4.18Å; V46-F48 PolarHBondContact O-N 3.13Å; F48-M50 PolarHBondContact O-N 3.06Å; F48-Y51 PolarHBondContact O-N 2.79Å; F48-T52 VanDerWaalsContact CD1-OG1 3.31Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.03Å; F48-T52 VanDerWaalsContact CE1-OG1 3.31Å; F48-T52 WeakPolarHBondContact CE1-OG1 3.33Å; F48-T52 WeakPolarHBondContact O-CB 3.17Å; F48-T52 PolarHBondContact O-N 2.6Å; F48-T52 PolarHBondContact O-OG1 2.78Å; F48-V73 HydrophobicContact CD1-CB 4.25Å; F48-V73 HydrophobicContact CD1-CG1 3.94Å; F48-V73 HydrophobicContact CD1-CG2 4.11Å; F48-V73 HydrophobicContact CE1-CB 4.48Å; F48-V73 HydrophobicContact CE1-CG1 4.21Å; F48-V73 HydrophobicContact CG-CG2 4.5Å; F48-L91 HydrophobicContact CE1-CD2 4.08Å; F48-L91 HydrophobicContact CZ-CD2 4.25Å; F48-I101 HydrophobicContact CE2-CD1 3.93Å; F48-I101 HydrophobicContact CE2-CG1 4.07Å; F48-I101 HydrophobicContact CZ-CD1 4.19Å
49	R	94.6	Very high	94.4	Very high	58 Å²	58	53.9 Å²	53.9	22%	0.219	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-41.9	178.3	-64	-174.8	-70.4	162.8	-2.1	112.8	C47 T52 E53 V65 N67 T122 R123	C47-R49 VanDerWaalsContact C-N 3.27Å; C47-R49 PolarHBondContact O-N 2.64Å; R49-T52 PolarHBondContact O-N 2.97Å; R49-E53 WeakPolarHBondContact O-CB 3.4Å; R49-E53 PolarHBondContact O-N 2.77Å; R49-V65 HydrophobicContact CB-CG1 3.9Å; R49-V65 HydrophobicContact CG-CG1 4.19Å; R49-V65 HydrophobicContact CG-CG2 4.08Å; R49-N67 WeakPolarHBondContact CD-OD1 3.42Å; R49-N67 WeakPolarHBondContact CG-OD1 3.4Å; R49-N67 PolarHBondContact NE-OD1 2.84Å; R49-T122 HydrophobicContact CB-CG2 3.89Å; R49-T122 HydrophobicContact CG-CG2 4.38Å; R49-R123 PolarHBondContact NH1-O 3.47Å
50	M	93.6	Very high	94.2	Very high	128 Å²	128	56.3 Å²	56.3	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-64.9	-44.9	178.8	-176.3	-173.6	-69.1	0	0	111.4	C47 F48 T52 E53 D54	C47-M50 HydrophobicContact CB-CB 4.49Å; C47-M50 WeakPolarHBondContact O-CB 3.38Å; C47-M50 PolarHBondContact O-N 3.04Å; F48-M50 PolarHBondContact O-N 3.06Å; M50-T52 VanDerWaalsContact C-N 3.34Å; M50-E53 PolarHBondContact O-N 2.95Å; M50-D54 WeakPolarHBondContact O-CB 3.48Å; M50-D54 PolarHBondContact O-N 2.91Å
51	Y	95.8	Very high	94.2	Very high	96 Å²	96	54.2 Å²	54.2	38%	0.376	30%	0.304	S	S	.	.	H	α-helix	trans	-66.1	-37.8	176.1	-79	-82.1	0	0	0	112.3	C47 F48 E53 D54 Q55 P97	C47-Y51 HydrophobicContact CB-CD2 4.24Å; C47-Y51 HydrophobicContact CB-CE2 4.21Å; C47-Y51 WeakPolarHBondContact O-CD2 3.24Å; C47-Y51 PolarHBondContact O-N 3.33Å; F48-Y51 PolarHBondContact O-N 2.79Å; Y51-E53 VanDerWaalsContact C-N 3.34Å; Y51-D54 PolarHBondContact O-N 3.27Å; Y51-Q55 WeakPolarHBondContact O-CB 3.27Å; Y51-Q55 PolarHBondContact O-N 2.75Å; Y51-P97 HydrophobicContact CE1-CG 4.11Å; Y51-P97 VanDerWaalsContact CZ-CD 3.48Å
52	T	95.4	Very high	94.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-43.5	176.4	-58	0	0	0	0	110.9	F37 F48 R49 M50 G56 V65 M87 L91 F120	F37-T52 HydrophobicContact CZ-CG2 4.32Å; F48-T52 VanDerWaalsContact CD1-OG1 3.31Å; F48-T52 WeakPolarHBondContact CD1-OG1 3.03Å; F48-T52 VanDerWaalsContact CE1-OG1 3.31Å; F48-T52 WeakPolarHBondContact CE1-OG1 3.33Å; F48-T52 WeakPolarHBondContact O-CB 3.17Å; F48-T52 PolarHBondContact O-N 2.6Å; F48-T52 PolarHBondContact O-OG1 2.78Å; R49-T52 PolarHBondContact O-N 2.97Å; M50-T52 VanDerWaalsContact C-N 3.34Å; T52-G56 PolarHBondContact O-N 2.83Å; T52-V65 HydrophobicContact CG2-CB 4.06Å; T52-V65 HydrophobicContact CG2-CG1 4.35Å; T52-V65 HydrophobicContact CG2-CG2 3.98Å; T52-M87 HydrophobicContact CG2-CE 3.71Å; T52-M87 WeakPolarHBondContact O-CE 3.31Å; T52-L91 HydrophobicContact CG2-CD2 4.06Å; T52-F120 HydrophobicContact CG2-CE1 4.06Å; T52-F120 HydrophobicContact CG2-CZ 3.86Å
53	E	95.8	Very high	94.4	Very high	45 Å²	45	50.6 Å²	50.6	21%	0.21	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-46.2	176.5	-176.7	-179.1	148.1	0	0	112.5	R49 M50 Y51 G56 K57 F120 T122	R49-E53 WeakPolarHBondContact O-CB 3.4Å; R49-E53 PolarHBondContact O-N 2.77Å; M50-E53 PolarHBondContact O-N 2.95Å; Y51-E53 VanDerWaalsContact C-N 3.34Å; E53-G56 PolarHBondContact O-N 3.26Å; E53-K57 HydrophobicContact CG-CD 4.33Å; E53-K57 WeakPolarHBondContact O-CG 3.33Å; E53-K57 PolarHBondContact O-N 3.47Å; E53-K57 IonicContact OE1-NZ 2.63Å; E53-K57 PolarHBondContact OE1-NZ 2.82Å; E53-F120 HydrophobicContact CB-CD1 4.08Å; E53-F120 HydrophobicContact CG-CD1 4.1Å; E53-F120 WeakPolarHBondContact CG-O 3.33Å; E53-T122 PolarHBondContact OE2-N 2.88Å; E53-T122 PolarHBondContact OE2-OG1 3.23Å
54	D	96.1	Very high	94.6	Very high	70 Å²	70	52.6 Å²	52.6	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-45.1	177.3	178.9	61.6	0	0	0	111.8	M50 Y51 K57 K58	M50-D54 WeakPolarHBondContact O-CB 3.48Å; M50-D54 PolarHBondContact O-N 2.91Å; Y51-D54 PolarHBondContact O-N 3.27Å; D54-K57 PolarHBondContact O-N 3.29Å; D54-K58 WeakPolarHBondContact O-CG 3.42Å; D54-K58 PolarHBondContact O-N 2.97Å; D54-K58 IonicContact OD1-NZ 3.87Å; D54-K58 WeakPolarHBondContact OD2-CE 3.3Å; D54-K58 IonicContact OD2-NZ 2.64Å; D54-K58 PolarHBondContact OD2-NZ 3.01Å
55	Q	96.8	Very high	94.9	Very high	38 Å²	38	49.5 Å²	49.5	18%	0.178	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-41.2	176.8	-171.7	66.2	12.5	0	0	112	Y51 K57 K58 L59 M87 W90	Y51-Q55 WeakPolarHBondContact O-CB 3.27Å; Y51-Q55 PolarHBondContact O-N 2.75Å; Q55-K57 VanDerWaalsContact C-N 3.32Å; Q55-K57 PolarHBondContact O-N 2.89Å; Q55-K58 PolarHBondContact O-N 3.44Å; Q55-L59 HydrophobicContact CG-CD1 4.11Å; Q55-L59 HydrophobicContact CG-CG 4.44Å; Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.1Å; Q55-M87 HydrophobicContact CB-CE 4.31Å; Q55-M87 HydrophobicContact CB-SD 4.25Å; Q55-M87 HydrophobicContact CG-CE 4.45Å; Q55-M87 HydrophobicContact CG-SD 3.78Å; Q55-W90 HydrophobicContact CB-CD2 4.18Å; Q55-W90 HydrophobicContact CB-CE3 4.33Å; Q55-W90 HydrophobicContact CB-CH2 4.18Å; Q55-W90 HydrophobicContact CB-CZ2 3.99Å; Q55-W90 HydrophobicContact CB-CZ3 4.34Å; Q55-W90 HydrophobicContact CG-CD2 3.65Å; Q55-W90 HydrophobicContact CG-CE3 4.12Å; Q55-W90 HydrophobicContact CG-CG 3.82Å; Q55-W90 HydrophobicContact CG-CZ2 4.25Å
56	G	94.8	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-45.6	175.9	0	0	0	0	0	111.9	T52 E53 L59 G60 V61	T52-G56 PolarHBondContact O-N 2.83Å; E53-G56 PolarHBondContact O-N 3.26Å; G56-L59 PolarHBondContact O-N 3.22Å; G56-G60 PolarHBondContact O-N 2.74Å; G56-G60 VanDerWaalsContact O-N 3.08Å; G56-V61 VanDerWaalsContact CA-CG2 3.5Å; G56-V61 WeakPolarHBondContact O-CG2 3.41Å; G56-V61 PolarHBondContact O-N 3.47Å
57	K	94.6	Very high	95.3	Very high	119 Å²	119	49.6 Å²	49.6	52%	0.517	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-42.9	174.9	-72.5	170.1	178	171.2	0	112.5	E53 D54 Q55 L59 G60 F120	E53-K57 HydrophobicContact CG-CD 4.33Å; E53-K57 WeakPolarHBondContact O-CG 3.33Å; E53-K57 PolarHBondContact O-N 3.47Å; E53-K57 IonicContact OE1-NZ 2.63Å; E53-K57 PolarHBondContact OE1-NZ 2.82Å; D54-K57 PolarHBondContact O-N 3.29Å; Q55-K57 VanDerWaalsContact C-N 3.32Å; Q55-K57 PolarHBondContact O-N 2.89Å; K57-L59 PolarHBondContact O-N 3.22Å; K57-G60 PolarHBondContact O-N 3.42Å; K57-F120 WeakPolarHBondContact CE-O 3.4Å; K57-F120 HydrophobicContact CG-CB 4.27Å
58	K	94.8	Very high	95.4	Very high	139 Å²	139	47.4 Å²	47.4	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-63	-39.2	177.9	-76.2	168.9	175.3	169	0	113.1	D54 Q55 G60	D54-K58 WeakPolarHBondContact O-CG 3.42Å; D54-K58 PolarHBondContact O-N 2.97Å; D54-K58 IonicContact OD1-NZ 3.87Å; D54-K58 WeakPolarHBondContact OD2-CE 3.3Å; D54-K58 IonicContact OD2-NZ 2.64Å; D54-K58 PolarHBondContact OD2-NZ 3.01Å; Q55-K58 PolarHBondContact O-N 3.44Å; K58-G60 VanDerWaalsContact C-N 3.3Å
59	L	93.6	Very high	95.5	Very high	27 Å²	27	59.8 Å²	59.8	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-80.7	-10.7	178.3	-67.4	178.2	0	0	0	113.2	Q55 G56 K57 V61 K83 E86 M87	Q55-L59 HydrophobicContact CG-CD1 4.11Å; Q55-L59 HydrophobicContact CG-CG 4.44Å; Q55-L59 WeakPolarHBondContact O-CG 3.43Å; Q55-L59 PolarHBondContact O-N 3.1Å; G56-L59 PolarHBondContact O-N 3.22Å; K57-L59 PolarHBondContact O-N 3.22Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 HydrophobicContact CB-CG2 4.46Å; L59-K83 WeakPolarHBondContact O-CD 3.47Å; L59-E86 HydrophobicContact CD1-CB 4.22Å; L59-E86 HydrophobicContact CD2-CB 4.36Å; L59-E86 WeakPolarHBondContact CD2-OE2 3.49Å; L59-M87 HydrophobicContact CD1-CB 3.84Å; L59-M87 HydrophobicContact CD1-CG 4.43Å; L59-M87 HydrophobicContact CD1-SD 3.82Å
60	G	94.3	Very high	95.4	Very high	51 Å²	51	65.1 Å²	65.1	53%	0.526	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	21.6	-176.6	0	0	0	0	0	113.9	G56 K57 K58	G56-G60 PolarHBondContact O-N 2.74Å; G56-G60 VanDerWaalsContact O-N 3.08Å; K57-G60 PolarHBondContact O-N 3.42Å; K58-G60 VanDerWaalsContact C-N 3.3Å
61	V	96.3	Very high	95.4	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	29%	0.289	C	S	.	.			trans	-90.2	148.7	172.7	-61.8	0	0	0	0	110.5	G56 L59 L77 K83 V84 M87 F120	G56-V61 VanDerWaalsContact CA-CG2 3.5Å; G56-V61 WeakPolarHBondContact O-CG2 3.41Å; G56-V61 PolarHBondContact O-N 3.47Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 HydrophobicContact CB-CG2 4.46Å; V61-L77 HydrophobicContact CG2-CD2 4.48Å; V61-K83 HydrophobicContact CG1-CB 3.6Å; V61-V84 HydrophobicContact CG1-CG2 4.42Å; V61-M87 HydrophobicContact CG2-CG 4.32Å; V61-F120 HydrophobicContact CG2-CD2 4.17Å; V61-F120 HydrophobicContact CG2-CE2 4.13Å
62	N	96.9	Very high	95.4	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.16	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	160.6	173.2	-61.5	-69	0	0	0	109.9	L77 Q78 L115 I117 G119	N62-L77 CarbonylContact O-C 3.58Å; N62-L77 WeakPolarHBondContact O-CA 3.46Å; N62-Q78 PolarHBondContact N-O 3.37Å; N62-Q78 PolarHBondContact O-N 3.19Å; N62-L115 VanDerWaalsContact ND2-CD1 3.27Å; N62-L115 WeakPolarHBondContact ND2-CD1 3.26Å; N62-I117 VanDerWaalsContact CB-O 3.22Å; N62-I117 WeakPolarHBondContact CB-O 3.41Å; N62-G119 CarbonylContact C-O 3.54Å; N62-G119 WeakPolarHBondContact CA-O 3.49Å; N62-G119 WeakPolarHBondContact CB-O 3.15Å; N62-G119 VanDerWaalsContact OD1-CA 3.27Å; N62-G119 WeakPolarHBondContact OD1-CA 3.32Å; N62-G119 PolarHBondContact OD1-N 2.69Å
63	G	96.9	Very high	95.5	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.031	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.3	-165.2	-177.4	0	0	0	0	0	114.8	Q76 G119 F120 G121	G63-Q76 CarbonylContact C-O 3.57Å; G63-Q76 WeakPolarHBondContact CA-O 3.24Å; G63-G119 PolarHBondContact N-O 3.09Å; G63-F120 WeakPolarHBondContact O-CA 3.43Å; G63-G121 PolarHBondContact O-N 3.05Å
64	W	97.6	Very high	95.6	Very high	45 Å²	45	55.5 Å²	55.5	17%	0.17	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	159.6	173.9	59.7	-88.5	0	0	0	111.2	K66 V74 G75 Q76 G121 R123	W64-K66 HydrophobicContact CE3-CB 4.09Å; W64-K66 HydrophobicContact CZ3-CB 3.76Å; W64-V74 HydrophobicContact CH2-CG2 4.48Å; W64-V74 HydrophobicContact CZ3-CG2 4.25Å; W64-G75 CarbonylContact O-C 3.54Å; W64-G75 WeakPolarHBondContact O-CA 3.47Å; W64-Q76 HydrophobicContact CZ2-CB 4.25Å; W64-Q76 PolarHBondContact N-O 2.98Å; W64-Q76 PolarHBondContact O-N 2.88Å; W64-G121 WeakPolarHBondContact CA-O 3.13Å; W64-G121 WeakPolarHBondContact CB-O 3.46Å; W64-R123 HydrophobicContact CB-CG 4.1Å; W64-R123 VanDerWaalsContact CD1-NH2 3.31Å; W64-R123 VanDerWaalsContact CE2-NH1 3.28Å; W64-R123 HydrophobicContact CE3-CG 4.33Å; W64-R123 VanDerWaalsContact CG-NE 3.35Å
65	V	97.3	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.4	178.6	65.2	0	0	0	0	110.8	F37 R49 T52 V73 V74 F120 G121 R123	F37-V65 HydrophobicContact CE2-CG2 4.28Å; F37-V65 HydrophobicContact CZ-CB 4.32Å; F37-V65 HydrophobicContact CZ-CG2 4.07Å; R49-V65 HydrophobicContact CB-CG1 3.9Å; R49-V65 HydrophobicContact CG-CG1 4.19Å; R49-V65 HydrophobicContact CG-CG2 4.08Å; T52-V65 HydrophobicContact CG2-CB 4.06Å; T52-V65 HydrophobicContact CG2-CG1 4.35Å; T52-V65 HydrophobicContact CG2-CG2 3.98Å; V65-V73 HydrophobicContact CG2-CG1 3.3Å; V65-V74 CarbonylContact C-O 3.55Å; V65-V74 WeakPolarHBondContact CA-O 3.25Å; V65-F120 HydrophobicContact CB-CE1 4.23Å; V65-F120 HydrophobicContact CG1-CE1 4.15Å; V65-G121 PolarHBondContact N-O 3.07Å; V65-G121 VanDerWaalsContact N-O 3.16Å; V65-R123 PolarHBondContact O-N 2.6Å
66	K	96.6	Very high	95.7	Very high	73 Å²	73	52 Å²	52	32%	0.317	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	146.1	-176.4	-170.7	179.7	166.8	141	0	111.4	W64 V73 V74 R123 Y124	W64-K66 HydrophobicContact CE3-CB 4.09Å; W64-K66 HydrophobicContact CZ3-CB 3.76Å; K66-V73 CarbonylContact O-C 3.59Å; K66-V73 WeakPolarHBondContact O-CA 3.19Å; K66-V74 HydrophobicContact CB-CG2 4.22Å; K66-V74 PolarHBondContact N-O 2.94Å; K66-V74 PolarHBondContact O-N 2.92Å; K66-R123 HydrophobicContact CB-CB 4.13Å; K66-R123 HydrophobicContact CD-CB 4.39Å; K66-R123 HydrophobicContact CG-CB 4.28Å; K66-Y124 VanDerWaalsContact CE-OXT 3.24Å; K66-Y124 WeakPolarHBondContact CE-OXT 3.38Å; K66-Y124 VanDerWaalsContact NZ-C 3.27Å; K66-Y124 PolarHBondContact NZ-O 3.32Å; K66-Y124 PolarHBondContact NZ-OXT 3.11Å; K66-Y124 VanDerWaalsContact NZ-OXT 3.13Å
67	N	95.7	Very high	95.8	Very high	36 Å²	36	52 Å²	52	19%	0.193	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.9	168	-75.7	8	0	0	0	110.7	R49	R49-N67 WeakPolarHBondContact CD-OD1 3.42Å; R49-N67 WeakPolarHBondContact CG-OD1 3.4Å; R49-N67 PolarHBondContact NE-OD1 2.84Å
68	T	95.4	Very high	96	Very high	31 Å²	31	46.4 Å²	46.4	19%	0.19	23%	0.231	C	C	.	.			trans	-88.3	167.6	170.4	72.7	0	0	0	0	111	Q44 E70 G71 T72 V74	Q44-T68 PolarHBondContact NE2-O 3.4Å; T68-E70 PolarHBondContact O-N 3.48Å; T68-E70 PolarHBondContact OG1-N 2.84Å; T68-G71 PolarHBondContact OG1-N 2.83Å; T68-T72 WeakPolarHBondContact CB-OG1 3.45Å; T68-T72 WeakPolarHBondContact CG2-OG1 3.43Å; T68-T72 PolarHBondContact N-O 2.83Å; T68-T72 PolarHBondContact OG1-N 3.36Å; T68-T72 PolarHBondContact OG1-O 2.93Å; T68-T72 PolarHBondContact OG1-OG1 2.97Å; T68-V74 HydrophobicContact CG2-CB 4.14Å; T68-V74 HydrophobicContact CG2-CG1 3.45Å; T68-V74 VanDerWaalsContact CG2-CG1 3.45Å; T68-V74 HydrophobicContact CG2-CG2 3.66Å
69	R	92.8	Very high	96	Very high	264 Å²	264	39.8 Å²	39.8	100%	0.996	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.2	172.3	-66.7	-177.7	177.5	178.9	-0.8	112.9	G71	R69-G71 VanDerWaalsContact C-N 3.29Å
70	E	92.8	Very high	96.1	Very high	169 Å²	169	39.4 Å²	39.4	79%	0.79	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.1	-176.9	-60.2	-174.9	178.7	0	0	112.6	T68	T68-E70 PolarHBondContact O-N 3.48Å; T68-E70 PolarHBondContact OG1-N 2.84Å
71	G	93.8	Very high	96.1	Very high	27 Å²	27	40.1 Å²	40.1	28%	0.278	19%	0.191	S	C	.	.	S	Bend	trans	95.2	2.9	178.6	0	0	0	0	0	114.4	Q44 T68 R69	Q44-G71 VanDerWaalsContact NE2-C 3.29Å; Q44-G71 VanDerWaalsContact NE2-CA 3.33Å; T68-G71 PolarHBondContact OG1-N 2.83Å; R69-G71 VanDerWaalsContact C-N 3.29Å
72	T	96	Very high	96	Very high	9 Å²	9	45 Å²	45	6%	0.055	22%	0.217	C	C	.	.			trans	-93.3	172.3	177.8	62.5	0	0	0	0	111.9	E38 I39 F40 Q44 T68	E38-T72 HydrophobicContact CG-CG2 4.47Å; E38-T72 WeakPolarHBondContact OE1-CB 3.06Å; E38-T72 PolarHBondContact OE1-OG1 2.83Å; I39-T72 WeakPolarHBondContact O-CA 3.46Å; I39-T72 VanDerWaalsContact O-CB 3.31Å; I39-T72 WeakPolarHBondContact O-CB 3.33Å; F40-T72 HydrophobicContact CD1-CG2 3.4Å; F40-T72 HydrophobicContact CE1-CG2 3.63Å; F40-T72 HydrophobicContact CG-CG2 4.07Å; F40-T72 HydrophobicContact CZ-CG2 4.45Å; Q44-T72 PolarHBondContact NE2-O 3.35Å; T68-T72 WeakPolarHBondContact CB-OG1 3.45Å; T68-T72 WeakPolarHBondContact CG2-OG1 3.43Å; T68-T72 PolarHBondContact N-O 2.83Å; T68-T72 PolarHBondContact OG1-N 3.36Å; T68-T72 PolarHBondContact OG1-O 2.93Å; T68-T72 PolarHBondContact OG1-OG1 2.97Å
73	V	96.8	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.7	171.3	175.2	0	0	0	0	109.1	F37 E38 I39 V43 F48 V65 K66	F37-V73 HydrophobicContact CE2-CG1 4.47Å; E38-V73 CarbonylContact C-O 3.57Å; E38-V73 WeakPolarHBondContact CA-O 3.4Å; I39-V73 HydrophobicContact CB-CB 4.42Å; I39-V73 PolarHBondContact N-O 3.48Å; I39-V73 PolarHBondContact O-N 3.39Å; I39-V73 VanDerWaalsContact O-N 3.09Å; V43-V73 HydrophobicContact CB-CG2 3.91Å; V43-V73 HydrophobicContact CG2-CB 4.32Å; V43-V73 HydrophobicContact CG2-CG2 3.68Å; F48-V73 HydrophobicContact CD1-CB 4.25Å; F48-V73 HydrophobicContact CD1-CG1 3.94Å; F48-V73 HydrophobicContact CD1-CG2 4.11Å; F48-V73 HydrophobicContact CE1-CB 4.48Å; F48-V73 HydrophobicContact CE1-CG1 4.21Å; F48-V73 HydrophobicContact CG-CG2 4.5Å; V65-V73 HydrophobicContact CG2-CG1 3.3Å; K66-V73 CarbonylContact O-C 3.59Å; K66-V73 WeakPolarHBondContact O-CA 3.19Å
74	V	97.8	Very high	95.8	Very high	32 Å²	32	47 Å²	47	19%	0.194	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	159	178.9	-66.4	0	0	0	0	111.4	F37 E38 W64 V65 K66 T68	F37-V74 CarbonylContact O-C 3.57Å; F37-V74 VanDerWaalsContact O-CA 3.24Å; F37-V74 WeakPolarHBondContact O-CA 3.38Å; E38-V74 HydrophobicContact CB-CG1 3.91Å; E38-V74 HydrophobicContact CG-CG1 3.59Å; W64-V74 HydrophobicContact CH2-CG2 4.48Å; W64-V74 HydrophobicContact CZ3-CG2 4.25Å; V65-V74 CarbonylContact C-O 3.55Å; V65-V74 WeakPolarHBondContact CA-O 3.25Å; K66-V74 HydrophobicContact CB-CG2 4.22Å; K66-V74 PolarHBondContact N-O 2.94Å; K66-V74 PolarHBondContact O-N 2.92Å; T68-V74 HydrophobicContact CG2-CB 4.14Å; T68-V74 HydrophobicContact CG2-CG1 3.45Å; T68-V74 VanDerWaalsContact CG2-CG1 3.45Å; T68-V74 HydrophobicContact CG2-CG2 3.66Å
75	G	97.4	Very high	95.7	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-173.3	173.2	0	0	0	0	0	113.6	D36 F37 W64	D36-G75 WeakPolarHBondContact CA-O 3.4Å; F37-G75 VanDerWaalsContact CD1-C 3.45Å; F37-G75 WeakPolarHBondContact CD1-O 3.37Å; F37-G75 VanDerWaalsContact CE1-CA 3.43Å; F37-G75 VanDerWaalsContact CZ-CA 3.44Å; F37-G75 PolarHBondContact N-O 2.91Å; F37-G75 PolarHBondContact O-N 2.86Å; W64-G75 CarbonylContact O-C 3.54Å; W64-G75 WeakPolarHBondContact O-CA 3.47Å
76	Q	98.1	Very high	95.7	Very high	32 Å²	32	55.6 Å²	55.6	15%	0.15	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.9	175	-174.8	170.1	66	0	0	109.4	S34 V35 D36 G63 W64 Q78 I117	S34-Q76 PolarHBondContact OG-NE2 3.32Å; V35-Q76 CarbonylContact O-C 3.56Å; V35-Q76 WeakPolarHBondContact O-CA 3.31Å; D36-Q76 VanDerWaalsContact OD1-CG 3.23Å; D36-Q76 WeakPolarHBondContact OD1-CG 3.36Å; D36-Q76 PolarHBondContact OD1-NE2 3.1Å; G63-Q76 CarbonylContact C-O 3.57Å; G63-Q76 WeakPolarHBondContact CA-O 3.24Å; W64-Q76 HydrophobicContact CZ2-CB 4.25Å; W64-Q76 PolarHBondContact N-O 2.98Å; W64-Q76 PolarHBondContact O-N 2.88Å; Q76-Q78 HydrophobicContact CG-CG 4.44Å; Q76-I117 HydrophobicContact CG-CD1 4.32Å
77	L	97.6	Very high	95.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.7	174.1	-56.1	173.5	0	0	0	109.2	S34 V35 F37 V61 N62 M87 L91 F120	S34-L77 CarbonylContact C-O 3.53Å; S34-L77 VanDerWaalsContact CA-O 3.27Å; S34-L77 WeakPolarHBondContact CA-O 3.34Å; V35-L77 HydrophobicContact CG1-CB 3.86Å; V35-L77 HydrophobicContact CG1-CD1 4.17Å; V35-L77 HydrophobicContact CG1-CG 4.41Å; V35-L77 PolarHBondContact N-O 3.16Å; V35-L77 PolarHBondContact O-N 3.39Å; F37-L77 HydrophobicContact CD1-CD1 4.22Å; F37-L77 HydrophobicContact CD1-CD2 4.32Å; F37-L77 HydrophobicContact CD1-CG 3.8Å; F37-L77 HydrophobicContact CE1-CD2 3.84Å; F37-L77 HydrophobicContact CE1-CG 3.82Å; V61-L77 HydrophobicContact CG2-CD2 4.48Å; N62-L77 CarbonylContact O-C 3.58Å; N62-L77 WeakPolarHBondContact O-CA 3.46Å; L77-M87 HydrophobicContact CD1-CB 3.91Å; L77-M87 HydrophobicContact CD1-CG 3.49Å; L77-M87 VanDerWaalsContact CD1-CG 3.49Å; L77-M87 HydrophobicContact CD2-CE 4.29Å; L77-M87 HydrophobicContact CD2-CG 3.78Å; L77-M87 HydrophobicContact CG-CG 4.28Å; L77-L91 HydrophobicContact CD1-CD1 3.85Å; L77-F120 HydrophobicContact CD2-CE2 3.48Å; L77-F120 VanDerWaalsContact CD2-CE2 3.48Å; L77-F120 HydrophobicContact CD2-CZ 3.81Å
78	Q	96.8	Very high	95.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.5	173.3	-65	-166.8	-11.9	0	0	110.5	A33 S34 N62 Q76 I112 L115 E116 I117	A33-Q78 VanDerWaalsContact O-CA 3.27Å; A33-Q78 WeakPolarHBondContact O-CA 3.5Å; S34-Q78 PolarHBondContact OG-NE2 3.5Å; N62-Q78 PolarHBondContact N-O 3.37Å; N62-Q78 PolarHBondContact O-N 3.19Å; Q76-Q78 HydrophobicContact CG-CG 4.44Å; Q78-I112 HydrophobicContact CB-CD1 4.08Å; Q78-I112 HydrophobicContact CG-CD1 4.1Å; Q78-L115 HydrophobicContact CB-CD2 4Å; Q78-E116 PolarHBondContact NE2-OE2 3.01Å; Q78-I117 HydrophobicContact CG-CD1 4.34Å
79	G	95.9	Very high	95.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-172.9	179.4	0	0	0	0	0	112.8	L32 A33	L32-G79 CarbonylContact C-O 3.55Å; L32-G79 VanDerWaalsContact CA-O 3.3Å; L32-G79 WeakPolarHBondContact CA-O 3.14Å; A33-G79 PolarHBondContact N-O 3.15Å; A33-G79 PolarHBondContact O-N 2.87Å
80	P	95.6	Very high	96.1	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.117	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	139.8	174.6	-24.4	35.4	0	0	0	110.8	E30 L32 D82 K83 V84	E30-P80 HydrophobicContact CB-CB 4.24Å; E30-P80 HydrophobicContact CB-CG 4.39Å; E30-P80 WeakPolarHBondContact OE2-CG 3.18Å; L32-P80 HydrophobicContact CD2-CG 4.28Å; P80-D82 PolarHBondContact O-N 3.02Å; P80-D82 VanDerWaalsContact O-N 3.15Å; P80-K83 HydrophobicContact CB-CB 4.43Å; P80-K83 HydrophobicContact CB-CG 4.19Å; P80-K83 HydrophobicContact CG-CG 4.33Å; P80-K83 PolarHBondContact O-N 3.24Å; P80-V84 PolarHBondContact O-N 3.31Å
81	H	94	Very high	96.2	Very high	67 Å²	67	35.5 Å²	35.5	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-48.1	-45.1	-178.1	-98.2	-94.2	0	0	0	113.2	K31 K83 V84 K85 D111	K31-H81 PolarHBondContact O-CD2 3.01Å; K31-H81 VanDerWaalsContact O-CD2 3.28Å; K31-H81 PolarHBondContact O-N 3.39Å; H81-K83 PolarHBondContact O-N 3.39Å; H81-V84 PolarHBondContact O-N 2.83Å; H81-K85 VanDerWaalsContact O-CB 3.32Å; H81-K85 WeakPolarHBondContact O-CB 3.42Å; H81-K85 PolarHBondContact O-N 2.8Å; H81-D111 IonicContact CD2-OD1 2.88Å; H81-D111 IonicContact CE1-OD1 2.79Å; H81-D111 PolarHBondContact CE1-OD1 2.89Å; H81-D111 IonicContact NE2-OD1 3.82Å; H81-D111 PolarHBondContact NE2-OD1 3.35Å
82	D	93.4	Very high	96.3	Very high	106 Å²	106	36.5 Å²	36.5	57%	0.567	19%	0.185	S	C	*	.	H	α-helix	trans	-63.6	-42	-179.5	-67.3	-30.2	0	0	0	111.9	P80 K85 E86	P80-D82 PolarHBondContact O-N 3.02Å; P80-D82 VanDerWaalsContact O-N 3.15Å; D82-K85 WeakPolarHBondContact O-CB 3.41Å; D82-K85 PolarHBondContact O-N 3.19Å; D82-E86 WeakPolarHBondContact O-CG 3.43Å; D82-E86 PolarHBondContact O-N 3.5Å
83	K	95.5	Very high	96	Very high	73 Å²	73	44 Å²	44	32%	0.317	22%	0.217	S	C	.	.	H	α-helix	trans	-70.9	-37.7	178.5	-58.6	-55.7	175.2	-162.7	0	112.5	L59 V61 P80 H81 K85 E86 M87	L59-K83 WeakPolarHBondContact O-CD 3.47Å; V61-K83 HydrophobicContact CG1-CB 3.6Å; P80-K83 HydrophobicContact CB-CB 4.43Å; P80-K83 HydrophobicContact CB-CG 4.19Å; P80-K83 HydrophobicContact CG-CG 4.33Å; P80-K83 PolarHBondContact O-N 3.24Å; H81-K83 PolarHBondContact O-N 3.39Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-E86 IonicContact NZ-OE1 2.83Å; K83-E86 PolarHBondContact NZ-OE1 3.16Å; K83-E86 IonicContact NZ-OE2 3.7Å; K83-E86 PolarHBondContact O-N 3.5Å; K83-M87 WeakPolarHBondContact O-CB 3.36Å; K83-M87 PolarHBondContact O-N 3.04Å
84	V	95.9	Very high	95.9	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-44.9	171.5	171.9	0	0	0	0	110.1	A33 V35 V61 P80 H81 M87 K88	A33-V84 HydrophobicContact CB-CB 4.5Å; A33-V84 HydrophobicContact CB-CG1 4.45Å; A33-V84 HydrophobicContact CB-CG2 4.3Å; V35-V84 HydrophobicContact CB-CG1 4.48Å; V35-V84 HydrophobicContact CG1-CG1 3.44Å; V35-V84 VanDerWaalsContact CG1-CG1 3.44Å; V61-V84 HydrophobicContact CG1-CG2 4.42Å; P80-V84 PolarHBondContact O-N 3.31Å; H81-V84 PolarHBondContact O-N 2.83Å; V84-M87 PolarHBondContact O-N 2.94Å; V84-K88 HydrophobicContact CG1-CD 4.22Å; V84-K88 HydrophobicContact CG1-CG 4.44Å; V84-K88 VanDerWaalsContact O-CG 3.32Å; V84-K88 WeakPolarHBondContact O-CG 3.45Å; V84-K88 PolarHBondContact O-N 3.04Å
85	K	95.6	Very high	95.6	Very high	141 Å²	141	46.8 Å²	46.8	61%	0.613	23%	0.234	S	C	*	.	H	α-helix	trans	-62.5	-44.7	177.4	-174.2	179.9	-179.3	-178.2	0	112.4	H81 D82 K83 M87 K88 V89	H81-K85 VanDerWaalsContact O-CB 3.32Å; H81-K85 WeakPolarHBondContact O-CB 3.42Å; H81-K85 PolarHBondContact O-N 2.8Å; D82-K85 WeakPolarHBondContact O-CB 3.41Å; D82-K85 PolarHBondContact O-N 3.19Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K85-M87 VanDerWaalsContact C-N 3.3Å; K85-M87 PolarHBondContact O-N 3.49Å; K85-K88 PolarHBondContact O-N 3.13Å; K85-V89 WeakPolarHBondContact O-CG2 3.39Å; K85-V89 PolarHBondContact O-N 3.01Å; K85-V89 VanDerWaalsContact O-N 3.11Å
86	E	95.7	Very high	95.4	Very high	84 Å²	84	46.8 Å²	46.8	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-56.7	-45.1	173.2	-74.8	178.7	-127.2	0	0	111.1	L59 D82 K83 V89 W90	L59-E86 HydrophobicContact CD1-CB 4.22Å; L59-E86 HydrophobicContact CD2-CB 4.36Å; L59-E86 WeakPolarHBondContact CD2-OE2 3.49Å; D82-E86 WeakPolarHBondContact O-CG 3.43Å; D82-E86 PolarHBondContact O-N 3.5Å; K83-E86 IonicContact NZ-OE1 2.83Å; K83-E86 PolarHBondContact NZ-OE1 3.16Å; K83-E86 IonicContact NZ-OE2 3.7Å; K83-E86 PolarHBondContact O-N 3.5Å; E86-V89 PolarHBondContact O-N 3.36Å; E86-W90 PolarHBondContact O-N 3.36Å
87	M	97.4	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-39.6	178.3	-170.3	63.3	178	0	0	112.6	T52 Q55 L59 V61 L77 K83 V84 K85 V89 W90 L91 F120	T52-M87 HydrophobicContact CG2-CE 3.71Å; T52-M87 WeakPolarHBondContact O-CE 3.31Å; Q55-M87 HydrophobicContact CB-CE 4.31Å; Q55-M87 HydrophobicContact CB-SD 4.25Å; Q55-M87 HydrophobicContact CG-CE 4.45Å; Q55-M87 HydrophobicContact CG-SD 3.78Å; L59-M87 HydrophobicContact CD1-CB 3.84Å; L59-M87 HydrophobicContact CD1-CG 4.43Å; L59-M87 HydrophobicContact CD1-SD 3.82Å; V61-M87 HydrophobicContact CG2-CG 4.32Å; L77-M87 HydrophobicContact CD1-CB 3.91Å; L77-M87 HydrophobicContact CD1-CG 3.49Å; L77-M87 VanDerWaalsContact CD1-CG 3.49Å; L77-M87 HydrophobicContact CD2-CE 4.29Å; L77-M87 HydrophobicContact CD2-CG 3.78Å; L77-M87 HydrophobicContact CG-CG 4.28Å; K83-M87 WeakPolarHBondContact O-CB 3.36Å; K83-M87 PolarHBondContact O-N 3.04Å; V84-M87 PolarHBondContact O-N 2.94Å; K85-M87 VanDerWaalsContact C-N 3.3Å; K85-M87 PolarHBondContact O-N 3.49Å; M87-V89 VanDerWaalsContact C-N 3.32Å; M87-V89 PolarHBondContact O-N 3.3Å; M87-W90 HydrophobicContact CE-CE3 4.17Å; M87-W90 HydrophobicContact CE-CZ3 4.33Å; M87-W90 PolarHBondContact O-N 3.09Å; M87-W90 HydrophobicContact SD-CE3 4.29Å; M87-L91 HydrophobicContact CE-CD1 4.37Å; M87-L91 HydrophobicContact CE-CD2 4.31Å; M87-L91 HydrophobicContact CE-CG 4.19Å; M87-L91 HydrophobicContact CG-CD1 4.17Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.3Å; M87-L91 WeakPolarHBondContact O-CG 3.41Å; M87-L91 PolarHBondContact O-N 2.96Å; M87-F120 HydrophobicContact CE-CE2 4.45Å; M87-F120 HydrophobicContact CE-CZ 4.41Å
88	K	97.3	Very high	94.7	Very high	44 Å²	44	54.3 Å²	54.3	19%	0.191	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-44	174.4	-69.7	174.7	73.4	172.1	0	111.3	V84 K85 L91 S92 F106 E109	V84-K88 HydrophobicContact CG1-CD 4.22Å; V84-K88 HydrophobicContact CG1-CG 4.44Å; V84-K88 VanDerWaalsContact O-CG 3.32Å; V84-K88 WeakPolarHBondContact O-CG 3.45Å; V84-K88 PolarHBondContact O-N 3.04Å; K85-K88 PolarHBondContact O-N 3.13Å; K88-L91 PolarHBondContact O-N 3.39Å; K88-S92 WeakPolarHBondContact O-CB 3.31Å; K88-S92 PolarHBondContact O-N 3.23Å; K88-S92 VanDerWaalsContact O-N 3.1Å; K88-S92 PolarHBondContact O-OG 2.77Å; K88-F106 HydrophobicContact CB-CD1 4.45Å; K88-F106 HydrophobicContact CB-CE1 3.85Å; K88-F106 HydrophobicContact CB-CE2 4.17Å; K88-F106 HydrophobicContact CB-CZ 3.69Å; K88-F106 HydrophobicContact CD-CD1 4.22Å; K88-F106 HydrophobicContact CD-CE1 4.46Å; K88-F106 HydrophobicContact CD-CG 4.4Å; K88-F106 VanDerWaalsContact CE-CG 3.45Å; K88-F106 HydrophobicContact CG-CD1 3.77Å; K88-F106 HydrophobicContact CG-CE1 3.55Å; K88-F106 HydrophobicContact CG-CE2 4.46Å; K88-F106 HydrophobicContact CG-CG 4.34Å; K88-F106 HydrophobicContact CG-CZ 3.93Å; K88-F106 WeakPolarHBondContact O-CZ 3.42Å; K88-E109 IonicContact NZ-OE1 3.49Å; K88-E109 IonicContact NZ-OE2 2.71Å; K88-E109 PolarHBondContact NZ-OE2 2.9Å
89	V	96.8	Very high	94.5	Very high	77 Å²	77	55.5 Å²	55.5	47%	0.467	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-44.6	176.9	174.1	0	0	0	0	110.9	K85 E86 M87 S92 K93	K85-V89 WeakPolarHBondContact O-CG2 3.39Å; K85-V89 PolarHBondContact O-N 3.01Å; K85-V89 VanDerWaalsContact O-N 3.11Å; E86-V89 PolarHBondContact O-N 3.36Å; M87-V89 VanDerWaalsContact C-N 3.32Å; M87-V89 PolarHBondContact O-N 3.3Å; V89-S92 PolarHBondContact O-N 3.39Å; V89-K93 HydrophobicContact CG1-CD 4.2Å; V89-K93 PolarHBondContact O-N 3.43Å
90	W	97.1	Very high	94.5	Very high	30 Å²	30	61.7 Å²	61.7	11%	0.114	32%	0.318	C	S	.	.	H	α-helix	trans	-62.4	-45.3	178.6	-175.9	94.2	0	0	0	112.3	Q55 E86 M87 S92 K93 V94 G95	Q55-W90 HydrophobicContact CB-CD2 4.18Å; Q55-W90 HydrophobicContact CB-CE3 4.33Å; Q55-W90 HydrophobicContact CB-CH2 4.18Å; Q55-W90 HydrophobicContact CB-CZ2 3.99Å; Q55-W90 HydrophobicContact CB-CZ3 4.34Å; Q55-W90 HydrophobicContact CG-CD2 3.65Å; Q55-W90 HydrophobicContact CG-CE3 4.12Å; Q55-W90 HydrophobicContact CG-CG 3.82Å; Q55-W90 HydrophobicContact CG-CZ2 4.25Å; E86-W90 PolarHBondContact O-N 3.36Å; M87-W90 HydrophobicContact CE-CE3 4.17Å; M87-W90 HydrophobicContact CE-CZ3 4.33Å; M87-W90 PolarHBondContact O-N 3.09Å; M87-W90 HydrophobicContact SD-CE3 4.29Å; W90-S92 PolarHBondContact O-N 3.08Å; W90-K93 PolarHBondContact O-N 2.96Å; W90-V94 HydrophobicContact CD2-CB 4.34Å; W90-V94 HydrophobicContact CG-CB 4.1Å; W90-V94 HydrophobicContact CG-CG2 4.5Å; W90-V94 PolarHBondContact O-N 3.21Å; W90-G95 WeakPolarHBondContact CZ2-O 3.16Å; W90-G95 PolarHBondContact O-N 3.49Å
91	L	95.9	Very high	94.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-25	176.7	-78	171.4	0	0	0	113.2	F37 I39 F48 T52 L77 M87 K88 I101 F106	F37-L91 HydrophobicContact CB-CD1 4.5Å; F37-L91 HydrophobicContact CD1-CD1 4.05Å; F37-L91 HydrophobicContact CD2-CD1 4.1Å; F37-L91 HydrophobicContact CE1-CD1 4.22Å; F37-L91 HydrophobicContact CE2-CD1 4.28Å; F37-L91 HydrophobicContact CE2-CD2 4.32Å; F37-L91 HydrophobicContact CG-CD1 3.96Å; F37-L91 HydrophobicContact CZ-CD1 4.33Å; I39-L91 HydrophobicContact CD1-CB 3.95Å; I39-L91 HydrophobicContact CD1-CD2 4.3Å; I39-L91 HydrophobicContact CG1-CD2 4.35Å; F48-L91 HydrophobicContact CE1-CD2 4.08Å; F48-L91 HydrophobicContact CZ-CD2 4.25Å; T52-L91 HydrophobicContact CG2-CD2 4.06Å; L77-L91 HydrophobicContact CD1-CD1 3.85Å; M87-L91 HydrophobicContact CE-CD1 4.37Å; M87-L91 HydrophobicContact CE-CD2 4.31Å; M87-L91 HydrophobicContact CE-CG 4.19Å; M87-L91 HydrophobicContact CG-CD1 4.17Å; M87-L91 HydrophobicContact CG-CG 4.46Å; M87-L91 WeakPolarHBondContact O-CB 3.3Å; M87-L91 WeakPolarHBondContact O-CG 3.41Å; M87-L91 PolarHBondContact O-N 2.96Å; K88-L91 PolarHBondContact O-N 3.39Å; L91-I101 WeakPolarHBondContact O-CD1 3.21Å; L91-F106 HydrophobicContact CB-CZ 4.38Å; L91-F106 HydrophobicContact CD1-CE1 4.3Å
92	S	94.8	Very high	94.5	Very high	48 Å²	48	63.7 Å²	63.7	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-87.7	-21.1	179.7	-54.3	0	0	0	0	113.4	K88 V89 W90	K88-S92 WeakPolarHBondContact O-CB 3.31Å; K88-S92 PolarHBondContact O-N 3.23Å; K88-S92 VanDerWaalsContact O-N 3.1Å; K88-S92 PolarHBondContact O-OG 2.77Å; V89-S92 PolarHBondContact O-N 3.39Å; W90-S92 PolarHBondContact O-N 3.08Å
93	K	91.6	Very high	94.6	Very high	167 Å²	167	62.7 Å²	62.7	73%	0.726	32%	0.322	S	S	*	.	H	α-helix	trans	-129.8	-28.7	-166.1	-64.7	-173.3	179.6	-178	0	115.8	V89 W90	V89-K93 HydrophobicContact CG1-CD 4.2Å; V89-K93 PolarHBondContact O-N 3.43Å; W90-K93 PolarHBondContact O-N 2.96Å
94	V	93.3	Very high	94.7	Very high	86 Å²	86	60.4 Å²	60.4	52%	0.521	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-63	-167.8	-175.5	0	0	0	0	110.8	W90	W90-V94 HydrophobicContact CD2-CB 4.34Å; W90-V94 HydrophobicContact CG-CB 4.1Å; W90-V94 HydrophobicContact CG-CG2 4.5Å; W90-V94 PolarHBondContact O-N 3.21Å
95	G	92.2	Very high	94.8	Very high	3 Å²	3	65.2 Å²	65.2	3%	0.031	34%	0.338	C	S	.	.	S	Bend	trans	52.2	-146.2	-179.2	0	0	0	0	0	114.1	W90	W90-G95 WeakPolarHBondContact CZ2-O 3.16Å; W90-G95 PolarHBondContact O-N 3.49Å
96	S	92.7	Very high	94.9	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.021	32%	0.322	C	S	.	.			trans	-79.4	144.3	172	167.2	0	0	0	0	111	V46 S98 S99	V46-S96 VanDerWaalsContact O-CB 3.26Å; V46-S96 WeakPolarHBondContact O-CB 3.37Å; V46-S96 PolarHBondContact O-OG 2.77Å; S96-S98 PolarHBondContact O-N 2.86Å; S96-S98 PolarHBondContact OG-N 2.85Å; S96-S99 PolarHBondContact N-OG 3.29Å; S96-S99 VanDerWaalsContact N-OG 3.09Å; S96-S99 WeakPolarHBondContact O-CB 3.47Å; S96-S99 PolarHBondContact O-N 3.03Å; S96-S99 PolarHBondContact O-OG 2.87Å
97	P	90.3	Very high	95	Very high	102 Å²	102	60.2 Å²	60.2	66%	0.662	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.2	177.7	-25.5	33.4	0	0	0	114.6	Y51	Y51-P97 HydrophobicContact CE1-CG 4.11Å; Y51-P97 VanDerWaalsContact CZ-CD 3.48Å
98	S	91.1	Very high	95	Very high	89 Å²	89	65.4 Å²	65.4	62%	0.622	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	2	179.5	-54.9	0	0	0	0	113.4	V46 S96	V46-S98 WeakPolarHBondContact CG1-O 3.09Å; S96-S98 PolarHBondContact O-N 2.86Å; S96-S98 PolarHBondContact OG-N 2.85Å
99	S	93.1	Very high	94.9	Very high	24 Å²	24	68.1 Å²	68.1	17%	0.168	36%	0.364	C	S	.	.			trans	-90.3	155.5	-179.5	70.4	0	0	0	0	112.4	N42 S96	N42-S99 VanDerWaalsContact O-CA 3.28Å; N42-S99 WeakPolarHBondContact O-CA 3.31Å; N42-S99 WeakPolarHBondContact O-CB 3.35Å; S96-S99 PolarHBondContact N-OG 3.29Å; S96-S99 VanDerWaalsContact N-OG 3.09Å; S96-S99 WeakPolarHBondContact O-CB 3.47Å; S96-S99 PolarHBondContact O-N 3.03Å; S96-S99 PolarHBondContact O-OG 2.87Å
100	R	94.4	Very high	94.8	Very high	132 Å²	132	70.3 Å²	70.3	50%	0.498	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.2	166.3	-168.5	-169.6	78.7	-109.2	-2.1	108.4	G41 N42 D102	G41-R100 CarbonylContact C-O 3.46Å; G41-R100 WeakPolarHBondContact CA-O 3.5Å; N42-R100 HydrophobicContact CB-CB 4.07Å; N42-R100 PolarHBondContact N-O 3.42Å; N42-R100 PolarHBondContact O-N 3.29Å; R100-D102 IonicContact CZ-OD1 3.32Å; R100-D102 VanDerWaalsContact CZ-OD1 3.32Å; R100-D102 IonicContact CZ-OD2 3.85Å; R100-D102 IonicContact NE-OD1 2.77Å; R100-D102 PolarHBondContact NE-OD1 2.96Å; R100-D102 IonicContact NH2-OD1 3.03Å; R100-D102 PolarHBondContact NH2-OD1 3.26Å; R100-D102 IonicContact NH2-OD2 2.86Å; R100-D102 PolarHBondContact NH2-OD2 3.18Å
101	I	96	Very high	94.7	Very high	34 Å²	34	73.9 Å²	73.9	17%	0.174	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	117.3	178.3	-56.7	171.1	0	0	0	107.2	I39 V43 F48 L91	I39-I101 HydrophobicContact CG2-CB 4.5Å; I39-I101 HydrophobicContact CG2-CG1 4.15Å; I39-I101 HydrophobicContact CG2-CG2 3.77Å; V43-I101 HydrophobicContact CG1-CG1 4.45Å; F48-I101 HydrophobicContact CE2-CD1 3.93Å; F48-I101 HydrophobicContact CE2-CG1 4.07Å; F48-I101 HydrophobicContact CZ-CD1 4.19Å; L91-I101 WeakPolarHBondContact O-CD1 3.21Å
102	D	95.3	Very high	94.6	Very high	92 Å²	92	74.4 Å²	74.4	49%	0.492	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-44.4	177.3	-67	-21.7	0	0	0	109.8	F40 G41 R100	F40-D102 PolarHBondContact O-N 3.24Å; G41-D102 VanDerWaalsContact CA-OD2 3.3Å; G41-D102 WeakPolarHBondContact CA-OD2 3.19Å; R100-D102 IonicContact CZ-OD1 3.32Å; R100-D102 VanDerWaalsContact CZ-OD1 3.32Å; R100-D102 IonicContact CZ-OD2 3.85Å; R100-D102 IonicContact NE-OD1 2.77Å; R100-D102 PolarHBondContact NE-OD1 2.96Å; R100-D102 IonicContact NH2-OD1 3.03Å; R100-D102 PolarHBondContact NH2-OD1 3.26Å; R100-D102 IonicContact NH2-OD2 2.86Å; R100-D102 PolarHBondContact NH2-OD2 3.18Å
103	H	95.8	Very high	94.4	Very high	86 Å²	86	78.5 Å²	78.5	40%	0.398	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	165.2	168	64	-72.6	0	0	0	111	F40 E105	F40-H103 WeakPolarHBondContact CB-CE1 3.48Å; F40-H103 AromaticContact CD1-CE1 3.87Å; F40-H103 AromaticContact CD2-CD2 3.58Å; F40-H103 AromaticContact CD2-CE1 3.56Å; F40-H103 AromaticContact CD2-NE2 3.17Å; F40-H103 WeakPolarHBondContact CD2-NE2 3.42Å; F40-H103 AromaticContact CE2-NE2 3.58Å; F40-H103 AromaticContact CG-CE1 3.3Å; F40-H103 WeakPolarHBondContact CG-CE1 3.22Å; F40-H103 AromaticContact CG-ND1 3.96Å; F40-H103 AromaticContact CG-NE2 3.42Å; F40-H103 WeakPolarHBondContact CG-NE2 3.13Å; F40-H103 PolarHBondContact N-O 2.86Å; H103-E105 IonicContact NE2-OE1 3.92Å
104	A	97.3	Very high	94.4	Very high	24 Å²	24	77.7 Å²	77.7	20%	0.198	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.9	175.1	0	0	0	0	0	109.2	E38 I39 F106	E38-A104 WeakPolarHBondContact O-CA 3.19Å; I39-A104 HydrophobicContact CD1-CB 3.56Å; A104-F106 HydrophobicContact CB-CE2 3.92Å; A104-F106 HydrophobicContact CB-CZ 3.97Å
105	E	97.9	Very high	94.3	Very high	103 Å²	103	76.1 Å²	76.1	48%	0.481	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.4	173.9	-65.8	-169.1	164.3	0	0	110	F37 E38 F40 H103	F37-E105 CarbonylContact C-O 3.6Å; F37-E105 VanDerWaalsContact CA-O 3.26Å; F37-E105 WeakPolarHBondContact CA-O 3.11Å; E38-E105 PolarHBondContact N-O 2.89Å; E38-E105 PolarHBondContact O-N 3.46Å; F40-E105 HydrophobicContact CD2-CG 4.4Å; F40-E105 HydrophobicContact CE2-CB 4.18Å; F40-E105 HydrophobicContact CE2-CG 3.75Å; H103-E105 IonicContact NE2-OE1 3.92Å
106	F	97.8	Very high	94.3	Very high	59 Å²	59	80.7 Å²	80.7	26%	0.259	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.6	177.1	-59.6	-78.2	0	0	0	108.3	V35 D36 F37 K88 L91 A104	V35-F106 HydrophobicContact CG2-CB 3.98Å; V35-F106 HydrophobicContact CG2-CD1 4.29Å; D36-F106 CarbonylContact O-C 3.59Å; D36-F106 WeakPolarHBondContact O-CA 3.27Å; F37-F106 HydrophobicContact CB-CD1 3.71Å; F37-F106 HydrophobicContact CB-CE1 3.76Å; K88-F106 HydrophobicContact CB-CD1 4.45Å; K88-F106 HydrophobicContact CB-CE1 3.85Å; K88-F106 HydrophobicContact CB-CE2 4.17Å; K88-F106 HydrophobicContact CB-CZ 3.69Å; K88-F106 HydrophobicContact CD-CD1 4.22Å; K88-F106 HydrophobicContact CD-CE1 4.46Å; K88-F106 HydrophobicContact CD-CG 4.4Å; K88-F106 VanDerWaalsContact CE-CG 3.45Å; K88-F106 HydrophobicContact CG-CD1 3.77Å; K88-F106 HydrophobicContact CG-CE1 3.55Å; K88-F106 HydrophobicContact CG-CE2 4.46Å; K88-F106 HydrophobicContact CG-CG 4.34Å; K88-F106 HydrophobicContact CG-CZ 3.93Å; K88-F106 WeakPolarHBondContact O-CZ 3.42Å; L91-F106 HydrophobicContact CB-CZ 4.38Å; L91-F106 HydrophobicContact CD1-CE1 4.3Å; A104-F106 HydrophobicContact CB-CE2 3.92Å; A104-F106 HydrophobicContact CB-CZ 3.97Å
107	S	97.4	Very high	94.3	Very high	61 Å²	61	82 Å²	82	43%	0.427	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	170.7	-176.1	65.2	0	0	0	0	111	D36 E109	D36-S107 PolarHBondContact N-O 3.03Å; D36-S107 PolarHBondContact O-N 3.43Å; S107-E109 PolarHBondContact O-N 2.95Å
108	N	96.1	Very high	94.3	Very high	110 Å²	110	84.9 Å²	84.9	59%	0.588	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.7	33.2	177.6	-55.6	-36.4	0	0	0	114.1	D36 R110	D36-N108 HydrophobicContact CB-CB 4.34Å; D36-N108 WeakPolarHBondContact OD2-CB 3.44Å; D36-N108 PolarHBondContact OD2-ND2 3.34Å; N108-R110 PolarHBondContact O-N 2.79Å
109	E	95.8	Very high	94.4	Very high	100 Å²	100	82.4 Å²	82.4	47%	0.467	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122.6	178.7	-169.7	163.9	161.2	0	0	110.1	S34 V35 K88 S107	S34-E109 CarbonylContact O-C 3.58Å; S34-E109 VanDerWaalsContact O-CA 3.3Å; S34-E109 WeakPolarHBondContact O-CA 3.47Å; V35-E109 HydrophobicContact CB-CB 4.36Å; V35-E109 HydrophobicContact CB-CG 4.27Å; V35-E109 HydrophobicContact CG2-CB 4.09Å; V35-E109 HydrophobicContact CG2-CG 4.34Å; K88-E109 IonicContact NZ-OE1 3.49Å; K88-E109 IonicContact NZ-OE2 2.71Å; K88-E109 PolarHBondContact NZ-OE2 2.9Å; S107-E109 PolarHBondContact O-N 2.95Å
110	R	95.3	Very high	94.5	Very high	123 Å²	123	81.8 Å²	81.8	46%	0.464	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	146.1	-176.8	63	-175.8	-174.5	144.4	8.7	111.8	A33 S34 N108 I112 E116	A33-R110 CarbonylContact C-O 3.58Å; A33-R110 WeakPolarHBondContact CA-O 3.44Å; S34-R110 PolarHBondContact N-O 3.01Å; S34-R110 PolarHBondContact O-N 2.63Å; N108-R110 PolarHBondContact O-N 2.79Å; R110-I112 HydrophobicContact CG-CG2 4.16Å; R110-E116 IonicContact CZ-OE1 3.87Å; R110-E116 IonicContact NH2-OE1 2.66Å; R110-E116 PolarHBondContact NH2-OE1 3.44Å; R110-E116 IonicContact NH2-OE2 3.78Å; R110-E116 PolarHBondContact NH2-OE2 2.64Å
111	D	95.5	Very high	94.5	Very high	105 Å²	105	76.8 Å²	76.8	56%	0.561	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	134	167.6	-68.9	-41.4	0	0	0	109.7	L32 H81	L32-D111 WeakPolarHBondContact O-CA 3.17Å; H81-D111 IonicContact CD2-OD1 2.88Å; H81-D111 IonicContact CE1-OD1 2.79Å; H81-D111 PolarHBondContact CE1-OD1 2.89Å; H81-D111 IonicContact NE2-OD1 3.82Å; H81-D111 PolarHBondContact NE2-OD1 3.35Å
112	I	93.2	Very high	94.4	Very high	12 Å²	12	76.7 Å²	76.7	6%	0.062	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	139.5	177.1	64.2	-178.1	0	0	0	110.1	L32 Q78 R110 K114	L32-I112 HydrophobicContact CB-CD1 4.11Å; L32-I112 HydrophobicContact CB-CG1 3.46Å; L32-I112 VanDerWaalsContact CB-CG1 3.46Å; L32-I112 HydrophobicContact CD1-CG1 4.45Å; L32-I112 PolarHBondContact O-N 3.03Å; Q78-I112 HydrophobicContact CB-CD1 4.08Å; Q78-I112 HydrophobicContact CG-CD1 4.1Å; R110-I112 HydrophobicContact CG-CG2 4.16Å; I112-K114 VanDerWaalsContact C-N 3.26Å; I112-K114 WeakPolarHBondContact CD1-O 3.41Å; I112-K114 WeakPolarHBondContact CG1-O 3.28Å; I112-K114 PolarHBondContact O-N 3.25Å
113	P	90.9	Very high	94.2	Very high	133 Å²	133	78.1 Å²	78.1	86%	0.864	40%	0.402	S	S	*	.	S	Bend	trans	-75.2	-18.4	178.9	30	-35	0	0	0	112.7
114	K	91.9	Very high	93.6	Very high	150 Å²	150	84.3 Å²	84.3	65%	0.652	42%	0.423	S	S	*	.	S	Bend	trans	-158.3	159.1	178.7	65.3	-179.2	-177.4	177.7	0	110.1	I112 E116	I112-K114 VanDerWaalsContact C-N 3.26Å; I112-K114 WeakPolarHBondContact CD1-O 3.41Å; I112-K114 WeakPolarHBondContact CG1-O 3.28Å; I112-K114 PolarHBondContact O-N 3.25Å; K114-E116 PolarHBondContact O-N 2.89Å
115	L	91.3	Very high	93.4	Very high	53 Å²	53	87.4 Å²	87.4	28%	0.277	43%	0.434	S	S	.	.			trans	-63.2	129.1	171.2	-63.8	169.4	0	0	0	110.3	L32 N62 Q78	L32-L115 HydrophobicContact CD1-CD2 4.3Å; L32-L115 HydrophobicContact CD1-CG 4.1Å; L32-L115 HydrophobicContact CD2-CD2 4.49Å; N62-L115 VanDerWaalsContact ND2-CD1 3.27Å; N62-L115 WeakPolarHBondContact ND2-CD1 3.26Å; Q78-L115 HydrophobicContact CB-CD2 4Å
116	E	92.2	Very high	93.2	Very high	100 Å²	100	86.5 Å²	86.5	47%	0.467	43%	0.432	S	S	.	.	S	Bend	trans	-95.2	-26.5	174.5	-57.2	169	154.2	0	0	110.8	Q78 R110 K114	Q78-E116 PolarHBondContact NE2-OE2 3.01Å; R110-E116 IonicContact CZ-OE1 3.87Å; R110-E116 IonicContact NH2-OE1 2.66Å; R110-E116 PolarHBondContact NH2-OE1 3.44Å; R110-E116 IonicContact NH2-OE2 3.78Å; R110-E116 PolarHBondContact NH2-OE2 2.64Å; K114-E116 PolarHBondContact O-N 2.89Å
117	I	91.3	Very high	92.9	Very high	29 Å²	29	88.1 Å²	88.1	15%	0.149	44%	0.442	C	S	.	.	S	Bend	trans	-110.1	133.6	178.2	-60.2	164.4	0	0	0	109.7	N62 Q76 Q78	N62-I117 VanDerWaalsContact CB-O 3.22Å; N62-I117 WeakPolarHBondContact CB-O 3.41Å; Q76-I117 HydrophobicContact CG-CD1 4.32Å; Q78-I117 HydrophobicContact CG-CD1 4.34Å
118	H	91.1	Very high	92.7	Very high	163 Å²	163	89.6 Å²	89.6	76%	0.755	44%	0.443	S	S	*	.			trans	-108.9	123.9	175.4	-64.4	-72.1	0	0	0	110.8
119	G	93.1	Very high	92.5	Very high	37 Å²	37	88.4 Å²	88.4	38%	0.381	43%	0.433	S	S	.	.	S	Bend	trans	80.8	177.2	-175.4	0	0	0	0	0	113.2	N62 G63	N62-G119 CarbonylContact C-O 3.54Å; N62-G119 WeakPolarHBondContact CA-O 3.49Å; N62-G119 WeakPolarHBondContact CB-O 3.15Å; N62-G119 VanDerWaalsContact OD1-CA 3.27Å; N62-G119 WeakPolarHBondContact OD1-CA 3.32Å; N62-G119 PolarHBondContact OD1-N 2.69Å; G63-G119 PolarHBondContact N-O 3.09Å
120	F	95	Very high	92.2	Very high	12 Å²	12	87.6 Å²	87.6	5%	0.053	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127	172.7	-153.6	-62.1	0	0	0	108.8	T52 E53 K57 V61 G63 V65 L77 M87	T52-F120 HydrophobicContact CG2-CE1 4.06Å; T52-F120 HydrophobicContact CG2-CZ 3.86Å; E53-F120 HydrophobicContact CB-CD1 4.08Å; E53-F120 HydrophobicContact CG-CD1 4.1Å; E53-F120 WeakPolarHBondContact CG-O 3.33Å; K57-F120 WeakPolarHBondContact CE-O 3.4Å; K57-F120 HydrophobicContact CG-CB 4.27Å; V61-F120 HydrophobicContact CG2-CD2 4.17Å; V61-F120 HydrophobicContact CG2-CE2 4.13Å; G63-F120 WeakPolarHBondContact O-CA 3.43Å; V65-F120 HydrophobicContact CB-CE1 4.23Å; V65-F120 HydrophobicContact CG1-CE1 4.15Å; L77-F120 HydrophobicContact CD2-CE2 3.48Å; L77-F120 VanDerWaalsContact CD2-CE2 3.48Å; L77-F120 HydrophobicContact CD2-CZ 3.81Å; M87-F120 HydrophobicContact CE-CE2 4.45Å; M87-F120 HydrophobicContact CE-CZ 4.41Å
121	G	94	Very high	92	Very high	27 Å²	27	85.1 Å²	85.1	28%	0.278	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.1	-177.8	0	0	0	0	0	115.3	G63 W64 V65	G63-G121 PolarHBondContact O-N 3.05Å; W64-G121 WeakPolarHBondContact CA-O 3.13Å; W64-G121 WeakPolarHBondContact CB-O 3.46Å; V65-G121 PolarHBondContact N-O 3.07Å; V65-G121 VanDerWaalsContact N-O 3.16Å
122	T	93.5	Very high	91.7	Very high	32 Å²	32	83.5 Å²	83.5	20%	0.196	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130.1	172.3	-60.2	0	0	0	0	111.6	R49 E53 Y124	R49-T122 HydrophobicContact CB-CG2 3.89Å; R49-T122 HydrophobicContact CG-CG2 4.38Å; E53-T122 PolarHBondContact OE2-N 2.88Å; E53-T122 PolarHBondContact OE2-OG1 3.23Å; T122-Y124 HydrophobicContact CG2-CE1 4.48Å
123	R	92.4	Very high	91.6	Very high	121 Å²	121	89.5 Å²	89.5	46%	0.457	45%	0.448	S	S	.	.			trans	-101.7	155.7	170.1	-65.5	-177.2	-177.1	176.4	-0.4	110.8	R49 W64 V65 K66	R49-R123 PolarHBondContact NH1-O 3.47Å; W64-R123 HydrophobicContact CB-CG 4.1Å; W64-R123 VanDerWaalsContact CD1-NH2 3.31Å; W64-R123 VanDerWaalsContact CE2-NH1 3.28Å; W64-R123 HydrophobicContact CE3-CG 4.33Å; W64-R123 VanDerWaalsContact CG-NE 3.35Å; V65-R123 PolarHBondContact O-N 2.6Å; K66-R123 HydrophobicContact CB-CB 4.13Å; K66-R123 HydrophobicContact CD-CB 4.39Å; K66-R123 HydrophobicContact CG-CB 4.28Å
124	Y	82.9	Confident	91.7	Very high	217 Å²	217	85.5 Å²	85.5	85%	0.851	41%	0.411	S	S	*	.			trans	-116.2	0	-179.8	-58.8	-85.6	0	0	0	110.6	K66 T122	K66-Y124 VanDerWaalsContact CE-OXT 3.24Å; K66-Y124 WeakPolarHBondContact CE-OXT 3.38Å; K66-Y124 VanDerWaalsContact NZ-C 3.27Å; K66-Y124 PolarHBondContact NZ-O 3.32Å; K66-Y124 PolarHBondContact NZ-OXT 3.11Å; K66-Y124 VanDerWaalsContact NZ-OXT 3.13Å; T122-Y124 HydrophobicContact CG2-CE1 4.48Å

Retrieved 124 of 124 residues in 257.3 ms (Link to these results)

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