A0A087X7C7_POEFO Loading...

Coatomer subunit zeta

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins. The zeta subunit may be involved in regulating the coat assembly and, hence, the rate of biosynthetic protein transport due to its association-dissociation properties with the coatomer complex.

AlphaFold DB , UniProt , Accession A0A087X7C7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42.1	Very low	62	Low	233 Å²	233	135.2 Å²	135.2	100%	1.148	74%	0.74	S	S	*	*				0	83.5	0	-81.9	-171.9	-176.3	0	0	104.9
2	D	42.6	Very low	64.1	Low	159 Å²	159	124.5 Å²	124.5	85%	0.85	68%	0.682	S	S	*	*			trans	-109.4	90.5	175.3	-60.4	-35.7	0	0	0	105	P4	D2-P4 WeakPolarHBondContact O-CD 3.49Å
3	S	54.4	Low	66.5	Low	103 Å²	103	115.2 Å²	115.2	72%	0.72	63%	0.631	S	S	*	*			trans	-59.3	116.9	158.3	-42.5	0	0	0	0	104.5	I5	S3-I5 PolarHBondContact O-N 2.68Å
4	P	57.3	Low	68.6	Low	109 Å²	109	110.4 Å²	110.4	71%	0.708	60%	0.601	S	S	*	*			trans	-58.4	117.1	172.7	24.9	-29.6	0	0	0	105.3	D2 L6	D2-P4 WeakPolarHBondContact O-CD 3.49Å; P4-L6 PolarHBondContact O-N 3.15Å
5	I	56.9	Low	70.5	Confident	163 Å²	163	103.2 Å²	103.2	84%	0.836	56%	0.562	S	S	*	*			trans	-63.2	98.3	170.4	-61.7	167.4	0	0	0	103.3	S3 E7	S3-I5 PolarHBondContact O-N 2.68Å; I5-E7 PolarHBondContact O-N 3.24Å; I5-E7 VanDerWaalsContact O-N 3.15Å
6	L	61.6	Low	72.2	Confident	104 Å²	104	96.9 Å²	96.9	55%	0.545	53%	0.528	S	S	.	.			trans	-57.7	121.7	173.7	-137.5	87.4	0	0	0	105.1	P4 H84	P4-L6 PolarHBondContact O-N 3.15Å; L6-H84 HydrophobicContact CD2-CB 4.32Å
7	E	64.3	Low	73.7	Confident	170 Å²	170	91.2 Å²	91.2	79%	0.794	50%	0.497	S	S	*	.			trans	-56.3	130.2	174.9	-77.8	-167.6	155.4	0	0	108	I5 S9	I5-E7 PolarHBondContact O-N 3.24Å; I5-E7 VanDerWaalsContact O-N 3.15Å; E7-S9 PolarHBondContact O-N 2.99Å
8	P	66.7	Low	75	Confident	134 Å²	134	86.1 Å²	86.1	87%	0.87	47%	0.469	S	S	*	.			trans	-60.5	115.9	179.9	23.1	-31.3	0	0	0	108.5
9	S	74.2	Confident	76.1	Confident	63 Å²	63	81.6 Å²	81.6	44%	0.441	45%	0.445	S	S	.	.			trans	-106.2	139.6	-179.9	109.9	0	0	0	0	109.3	E7 H11	E7-S9 PolarHBondContact O-N 2.99Å; S9-H11 PolarHBondContact O-N 3.4Å; S9-H11 PolarHBondContact OG-N 3.41Å
10	L	76.9	Confident	77	Confident	131 Å²	131	77.9 Å²	77.9	69%	0.686	42%	0.424	S	S	*	.	S	Bend	trans	-76.9	-11.3	173.5	-65.5	171.6	0	0	0	112.4	T12 V134	L10-T12 VanDerWaalsContact C-N 3.28Å; L10-T12 PolarHBondContact O-N 3Å; L10-V134 HydrophobicContact CB-CG1 4.18Å; L10-V134 HydrophobicContact CB-CG2 3.98Å; L10-V134 WeakPolarHBondContact O-CA 3.13Å
11	H	84.6	Confident	77.8	Confident	118 Å²	118	78.5 Å²	78.5	55%	0.546	43%	0.427	S	S	.	.			trans	-84	71.4	-174.7	-59.5	87.8	0	0	0	110.3	S9 G132 G133	S9-H11 PolarHBondContact O-N 3.4Å; S9-H11 PolarHBondContact OG-N 3.41Å; H11-G132 PolarHBondContact CD2-O 3.17Å; H11-G132 VanDerWaalsContact CD2-O 3.23Å; H11-G133 CarbonylContact C-O 3.18Å
12	T	87.9	Confident	80.2	Confident	7 Å²	7	73.4 Å²	73.4	4%	0.043	41%	0.405	C	S	.	.			trans	-75.6	-38.4	-176.4	-54.7	0	0	0	0	112	L10 G81 E85 M89 L90 G133 I135	L10-T12 VanDerWaalsContact C-N 3.28Å; L10-T12 PolarHBondContact O-N 3Å; T12-G81 WeakPolarHBondContact O-CA 3.42Å; T12-E85 HydrophobicContact CG2-CB 4.37Å; T12-E85 HydrophobicContact CG2-CG 4.15Å; T12-E85 WeakPolarHBondContact CG2-OE2 3.47Å; T12-M89 HydrophobicContact CG2-CB 4.25Å; T12-M89 HydrophobicContact CG2-CE 4.17Å; T12-L90 HydrophobicContact CG2-CD2 3.89Å; T12-G133 PolarHBondContact N-O 3.41Å; T12-I135 HydrophobicContact CG2-CD1 3.92Å
13	V	95.6	Very high	82.6	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.018	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.6	-173.9	-177.1	0	0	0	0	110.1	V16 Y31 V79 L90 V93 V130 G133 I135	V13-V16 HydrophobicContact CG1-CG2 3.89Å; V13-Y31 HydrophobicContact CG1-CD2 4Å; V13-Y31 HydrophobicContact CG1-CE2 3.99Å; V13-V79 HydrophobicContact CG1-CG1 3.97Å; V13-V79 HydrophobicContact CG2-CG1 4.24Å; V13-L90 HydrophobicContact CG2-CD2 4.17Å; V13-V93 HydrophobicContact CG2-CG2 4.22Å; V13-V130 HydrophobicContact CB-CG1 4.05Å; V13-V130 HydrophobicContact CG1-CG1 4.37Å; V13-V130 HydrophobicContact CG2-CG1 4.42Å; V13-V130 HydrophobicContact CG2-CG2 4.24Å; V13-G133 PolarHBondContact N-O 2.87Å; V13-G133 WeakPolarHBondContact O-CA 3.47Å; V13-I135 HydrophobicContact CG2-CD1 4.3Å; V13-I135 HydrophobicContact CG2-CG1 3.93Å
14	K	95.6	Very high	84.5	Confident	49 Å²	49	66.6 Å²	66.6	21%	0.213	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-36.5	175.2	-68.6	-179.9	166	-79.6	0	112.4	Y31 D32 L65 I80	K14-Y31 PolarHBondContact O-N 2.87Å; K14-D32 WeakPolarHBondContact CD-OD2 3.5Å; K14-D32 VanDerWaalsContact CG-OD2 3.23Å; K14-D32 WeakPolarHBondContact CG-OD2 3.47Å; K14-D32 IonicContact NZ-OD2 2.85Å; K14-D32 PolarHBondContact NZ-OD2 3.41Å; K14-L65 HydrophobicContact CD-CD2 3.57Å; K14-I80 HydrophobicContact CB-CG2 4.49Å; K14-I80 PolarHBondContact N-O 3.12Å
15	A	96.9	Very high	86.4	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.017	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	154.3	176.5	0	0	0	0	0	113	L17 K29 Y30 I80	A15-L17 HydrophobicContact CB-CD2 4.42Å; A15-K29 CarbonylContact C-O 3.53Å; A15-K29 WeakPolarHBondContact CA-O 3.35Å; A15-K29 WeakPolarHBondContact CB-O 3.23Å; A15-Y30 HydrophobicContact CB-CD1 3.58Å; A15-Y30 HydrophobicContact CB-CE1 3.86Å; A15-Y30 HydrophobicContact CB-CG 4.09Å; A15-I80 HydrophobicContact CB-CB 4.27Å; A15-I80 HydrophobicContact CB-CD1 4.01Å; A15-I80 PolarHBondContact N-O 3Å; A15-I80 PolarHBondContact O-N 3.05Å
16	V	97.8	Very high	88.2	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.012	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.7	169.5	177.2	0	0	0	0	108	V13 Y27 A28 K29 Y31 Y78 V79 L97	V13-V16 HydrophobicContact CG1-CG2 3.89Å; V16-Y27 HydrophobicContact CB-CE1 4.49Å; V16-Y27 HydrophobicContact CG1-CE1 4.16Å; V16-A28 WeakPolarHBondContact O-CA 3.45Å; V16-K29 PolarHBondContact N-O 3.15Å; V16-K29 PolarHBondContact O-N 2.85Å; V16-Y31 HydrophobicContact CG2-CE2 4.15Å; V16-Y78 WeakPolarHBondContact CA-O 3.47Å; V16-V79 HydrophobicContact CG2-CG2 4.44Å; V16-L97 HydrophobicContact CG1-CD2 3.76Å
17	L	97.6	Very high	89.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.4	-176.4	-44	170.1	0	0	0	110.4	A15 Y27 A28 Y30 F44 E45 I48 Y78 I80	A15-L17 HydrophobicContact CB-CD2 4.42Å; L17-Y27 WeakPolarHBondContact CA-O 3.29Å; L17-A28 HydrophobicContact CD2-CB 3.51Å; L17-Y30 HydrophobicContact CD2-CE1 4.45Å; L17-Y30 HydrophobicContact CD2-CE2 3.78Å; L17-F44 HydrophobicContact CD1-CE1 4.3Å; L17-E45 HydrophobicContact CD1-CG 3.98Å; L17-I48 HydrophobicContact CD1-CD1 4.33Å; L17-Y78 HydrophobicContact CB-CD2 4.29Å; L17-Y78 PolarHBondContact N-O 3.41Å; L17-Y78 PolarHBondContact O-N 3.02Å; L17-I80 HydrophobicContact CD1-CD1 3.57Å; L17-I80 HydrophobicContact CG-CD1 3.72Å
18	I	96.9	Very high	91.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.3	166.7	-52	175.7	0	0	0	107.6	L26 Y27 L75 F76 F77 L101 L115 L122	I18-L26 HydrophobicContact CG2-CD1 4.42Å; I18-L26 WeakPolarHBondContact O-CB 3.38Å; I18-L26 PolarHBondContact O-N 2.85Å; I18-Y27 HydrophobicContact CD1-CD1 4.34Å; I18-Y27 HydrophobicContact CG1-CD1 4.27Å; I18-Y27 PolarHBondContact N-O 2.68Å; I18-Y27 PolarHBondContact O-N 2.85Å; I18-L75 HydrophobicContact CG2-CD2 4.23Å; I18-F76 CarbonylContact C-O 3.55Å; I18-F76 VanDerWaalsContact CA-O 3.32Å; I18-F76 WeakPolarHBondContact CA-O 3.26Å; I18-F77 HydrophobicContact CD1-CD1 3.87Å; I18-F77 HydrophobicContact CD1-CE1 3.75Å; I18-F77 HydrophobicContact CG1-CD1 3.84Å; I18-F77 HydrophobicContact CG1-CE1 4.15Å; I18-F77 HydrophobicContact CG2-CD1 4.3Å; I18-F77 HydrophobicContact CG2-CE1 4.17Å; I18-L101 HydrophobicContact CD1-CD1 4.36Å; I18-L115 HydrophobicContact CD1-CD2 4.15Å; I18-L115 HydrophobicContact CG2-CD2 3.88Å; I18-L122 HydrophobicContact CD1-CD1 3.55Å; I18-L122 HydrophobicContact CD1-CD2 3.89Å; I18-L122 HydrophobicContact CD1-CG 4.4Å
19	L	96.6	Very high	92.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	155	178	-51	-177.4	0	0	0	109.6	D24 R25 E45 F49 F76 Y78	L19-D24 CarbonylContact C-O 3.59Å; L19-D24 VanDerWaalsContact CA-O 3.3Å; L19-D24 WeakPolarHBondContact CA-O 3.47Å; L19-R25 HydrophobicContact CD2-CB 4.23Å; L19-E45 HydrophobicContact CD1-CB 4.45Å; L19-E45 HydrophobicContact CD2-CB 4.45Å; L19-E45 HydrophobicContact CD2-CG 4.29Å; L19-F49 HydrophobicContact CD1-CB 4Å; L19-F49 HydrophobicContact CD1-CD2 4.27Å; L19-F76 HydrophobicContact CB-CB 4.46Å; L19-F76 PolarHBondContact N-O 2.98Å; L19-F76 PolarHBondContact O-N 2.92Å; L19-Y78 HydrophobicContact CB-CE2 4.22Å; L19-Y78 HydrophobicContact CD1-CD2 4.36Å; L19-Y78 HydrophobicContact CD1-CE2 3.73Å; L19-Y78 HydrophobicContact CG-CD2 4.23Å; L19-Y78 HydrophobicContact CG-CE2 3.85Å
20	D	94.4	Very high	94	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-177.8	168.9	69.5	17.7	0	0	0	112.4	D22 G23 D24 L26 F49 D74 R112	D20-D22 PolarHBondContact O-N 3.14Å; D20-D22 PolarHBondContact OD1-N 3.41Å; D20-G23 PolarHBondContact O-N 2.81Å; D20-G23 PolarHBondContact OD1-N 3.11Å; D20-D24 PolarHBondContact N-O 2.78Å; D20-D24 WeakPolarHBondContact OD1-CB 3.26Å; D20-D24 PolarHBondContact OD1-N 2.63Å; D20-L26 HydrophobicContact CB-CD1 4.02Å; D20-L26 HydrophobicContact CB-CD2 4.48Å; D20-L26 HydrophobicContact CB-CG 4.19Å; D20-F49 WeakPolarHBondContact O-CE2 3.48Å; D20-D74 CarbonylContact C-O 3.6Å; D20-D74 WeakPolarHBondContact CA-O 3.47Å; D20-R112 IonicContact OD2-NE 3.91Å; D20-R112 PolarHBondContact OD2-NE 2.92Å; D20-R112 IonicContact OD2-NH2 3.3Å
21	N	93	Very high	94.9	Very high	91 Å²	91	38.3 Å²	38.3	49%	0.487	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.1	-178.8	-170.6	61.9	0	0	0	114.9	F49 D74	N21-F49 VanDerWaalsContact O-CZ 3.31Å; N21-F49 WeakPolarHBondContact O-CZ 3.43Å; N21-D74 HydrophobicContact CB-CB 4.25Å; N21-D74 PolarHBondContact N-O 3.42Å
22	D	92.4	Very high	95.1	Very high	126 Å²	126	34.7 Å²	34.7	67%	0.674	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-3	174.4	-65.2	-53.1	0	0	0	111.7	D20 D24	D20-D22 PolarHBondContact O-N 3.14Å; D20-D22 PolarHBondContact OD1-N 3.41Å; D22-D24 VanDerWaalsContact C-N 3.34Å
23	G	92.4	Very high	95.3	Very high	14 Å²	14	41.3 Å²	41.3	14%	0.144	21%	0.211	C	C	.	.	S	Bend	trans	82.2	13.3	-176	0	0	0	0	0	113.2	D20	D20-G23 PolarHBondContact O-N 2.81Å; D20-G23 PolarHBondContact OD1-N 3.11Å
24	D	95.3	Very high	95	Very high	105 Å²	105	44.2 Å²	44.2	56%	0.561	23%	0.229	S	C	*	.			trans	-79.1	141.8	175.4	-79.5	-31.2	0	0	0	110.7	L19 D20 D22 L26	L19-D24 CarbonylContact C-O 3.59Å; L19-D24 VanDerWaalsContact CA-O 3.3Å; L19-D24 WeakPolarHBondContact CA-O 3.47Å; D20-D24 PolarHBondContact N-O 2.78Å; D20-D24 WeakPolarHBondContact OD1-CB 3.26Å; D20-D24 PolarHBondContact OD1-N 2.63Å; D22-D24 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 2.91Å
25	R	96.3	Very high	94.8	Very high	78 Å²	78	43.2 Å²	43.2	29%	0.294	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	118.3	-177.4	-176.3	-164.3	-64.6	-160.2	-2.2	110.9	L19 A28 E45	L19-R25 HydrophobicContact CD2-CB 4.23Å; R25-A28 HydrophobicContact CG-CB 3.91Å; R25-E45 IonicContact CZ-OE1 2.84Å; R25-E45 IonicContact CZ-OE2 2.64Å; R25-E45 VanDerWaalsContact CZ-OE2 3.3Å; R25-E45 IonicContact NE-OE1 3.01Å; R25-E45 PolarHBondContact NE-OE1 2.92Å; R25-E45 IonicContact NE-OE2 3.31Å; R25-E45 PolarHBondContact NE-OE2 2.86Å; R25-E45 IonicContact NH1-OE1 3.61Å; R25-E45 IonicContact NH2-OE1 2.63Å; R25-E45 PolarHBondContact NH2-OE1 2.86Å; R25-E45 IonicContact NH2-OE2 3.9Å; R25-E45 PolarHBondContact NH2-OE2 3.36Å
26	L	95.8	Very high	94.6	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.141	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-42.7	166.3	-62	175.9	0	0	0	111.2	I18 D20 D24 L75 R112 L115 L116	I18-L26 HydrophobicContact CG2-CD1 4.42Å; I18-L26 WeakPolarHBondContact O-CB 3.38Å; I18-L26 PolarHBondContact O-N 2.85Å; D20-L26 HydrophobicContact CB-CD1 4.02Å; D20-L26 HydrophobicContact CB-CD2 4.48Å; D20-L26 HydrophobicContact CB-CG 4.19Å; D24-L26 PolarHBondContact O-N 2.91Å; L26-L75 HydrophobicContact CD1-CD2 3.15Å; L26-R112 HydrophobicContact CD1-CG 4.04Å; L26-R112 HydrophobicContact CD2-CG 4.3Å; L26-L115 HydrophobicContact CD1-CD2 4.42Å; L26-L116 HydrophobicContact CD2-CD2 4.27Å
27	Y	97.2	Very high	94.5	Very high	15 Å²	15	50.3 Å²	50.3	6%	0.059	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.8	177.4	177.4	-103.8	0	0	0	110.5	V16 L17 I18 K29 L122 F123 V126	V16-Y27 HydrophobicContact CB-CE1 4.49Å; V16-Y27 HydrophobicContact CG1-CE1 4.16Å; L17-Y27 WeakPolarHBondContact CA-O 3.29Å; I18-Y27 HydrophobicContact CD1-CD1 4.34Å; I18-Y27 HydrophobicContact CG1-CD1 4.27Å; I18-Y27 PolarHBondContact N-O 2.68Å; I18-Y27 PolarHBondContact O-N 2.85Å; Y27-K29 HydrophobicContact CE1-CB 4.07Å; Y27-K29 WeakPolarHBondContact OH-CB 3.46Å; Y27-K29 VanDerWaalsContact OH-CD 3.23Å; Y27-K29 WeakPolarHBondContact OH-CD 3.16Å; Y27-L122 HydrophobicContact CD1-CD2 4.42Å; Y27-L122 HydrophobicContact CD2-CD2 4.03Å; Y27-L122 HydrophobicContact CG-CD2 3.82Å; Y27-L122 HydrophobicContact CG-CG 4.47Å; Y27-F123 HydrophobicContact CD2-CD1 4Å; Y27-F123 AromaticContact CD2-CE1 3.56Å; Y27-F123 HydrophobicContact CD2-CE1 3.56Å; Y27-F123 AromaticContact CE2-CD1 3.48Å; Y27-F123 HydrophobicContact CE2-CD1 3.48Å; Y27-F123 VanDerWaalsContact CE2-CD1 3.48Å; Y27-F123 AromaticContact CE2-CE1 3.42Å; Y27-F123 HydrophobicContact CE2-CE1 3.42Å; Y27-F123 VanDerWaalsContact CE2-CE1 3.42Å; Y27-V126 HydrophobicContact CE1-CG1 4.31Å; Y27-V126 HydrophobicContact CE1-CG2 3.87Å; Y27-V126 VanDerWaalsContact OH-CG1 3.27Å; Y27-V126 WeakPolarHBondContact OH-CG1 3.38Å
28	A	97.4	Very high	94.3	Very high	28 Å²	28	54.4 Å²	54.4	23%	0.231	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	128.9	171.3	0	0	0	0	0	110.2	V16 L17 R25 Y30	V16-A28 WeakPolarHBondContact O-CA 3.45Å; L17-A28 HydrophobicContact CD2-CB 3.51Å; R25-A28 HydrophobicContact CG-CB 3.91Å; A28-Y30 HydrophobicContact CB-CD2 4.49Å; A28-Y30 HydrophobicContact CB-CE2 3.97Å
29	K	97	Very high	94.3	Very high	53 Å²	53	62.7 Å²	62.7	23%	0.23	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.4	171.5	-169.2	167.5	178.3	-162.1	0	108.5	A15 V16 Y27 Y31 V126 D127	A15-K29 CarbonylContact C-O 3.53Å; A15-K29 WeakPolarHBondContact CA-O 3.35Å; A15-K29 WeakPolarHBondContact CB-O 3.23Å; V16-K29 PolarHBondContact N-O 3.15Å; V16-K29 PolarHBondContact O-N 2.85Å; Y27-K29 HydrophobicContact CE1-CB 4.07Å; Y27-K29 WeakPolarHBondContact OH-CB 3.46Å; Y27-K29 VanDerWaalsContact OH-CD 3.23Å; Y27-K29 WeakPolarHBondContact OH-CD 3.16Å; K29-Y31 HydrophobicContact CD-CE1 3.92Å; K29-Y31 WeakPolarHBondContact CD-OH 3.34Å; K29-Y31 HydrophobicContact CG-CE1 3.97Å; K29-Y31 HydrophobicContact CG-CE2 4.44Å; K29-V126 HydrophobicContact CD-CG1 4.22Å; K29-D127 IonicContact NZ-OD1 2.63Å; K29-D127 PolarHBondContact NZ-OD1 3.48Å
30	Y	96.8	Very high	94.2	Very high	37 Å²	37	66.9 Å²	66.9	15%	0.145	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133	177	-68.4	-97	0	0	0	108	A15 L17 A28 Y35 Q41 F44 E45	A15-Y30 HydrophobicContact CB-CD1 3.58Å; A15-Y30 HydrophobicContact CB-CE1 3.86Å; A15-Y30 HydrophobicContact CB-CG 4.09Å; L17-Y30 HydrophobicContact CD2-CE1 4.45Å; L17-Y30 HydrophobicContact CD2-CE2 3.78Å; A28-Y30 HydrophobicContact CB-CD2 4.49Å; A28-Y30 HydrophobicContact CB-CE2 3.97Å; Y30-Y35 HydrophobicContact CD1-CD2 4.23Å; Y30-Y35 AromaticContact CE1-CD2 3.85Å; Y30-Y35 HydrophobicContact CE1-CD2 3.85Å; Y30-Y35 HydrophobicContact CE1-CG 4.4Å; Y30-Q41 HydrophobicContact CD1-CG 4.46Å; Y30-Q41 HydrophobicContact CD2-CG 3.9Å; Y30-Q41 HydrophobicContact CE1-CG 4.13Å; Y30-Q41 HydrophobicContact CE2-CB 3.74Å; Y30-Q41 HydrophobicContact CE2-CG 3.5Å; Y30-Q41 HydrophobicContact CG-CG 4.36Å; Y30-Q41 PolarHBondContact OH-O 3.23Å; Y30-F44 HydrophobicContact CE1-CD1 4.28Å; Y30-E45 PolarHBondContact OH-OE1 3.24Å
31	Y	94.9	Very high	94.3	Very high	43 Å²	43	67.9 Å²	67.9	17%	0.169	35%	0.354	C	S	.	.			trans	-105	-6.4	-176.1	-62.9	-72.6	0	0	0	113.1	V13 K14 V16 K29 V126 V130	V13-Y31 HydrophobicContact CG1-CD2 4Å; V13-Y31 HydrophobicContact CG1-CE2 3.99Å; K14-Y31 PolarHBondContact O-N 2.87Å; V16-Y31 HydrophobicContact CG2-CE2 4.15Å; K29-Y31 HydrophobicContact CD-CE1 3.92Å; K29-Y31 WeakPolarHBondContact CD-OH 3.34Å; K29-Y31 HydrophobicContact CG-CE1 3.97Å; K29-Y31 HydrophobicContact CG-CE2 4.44Å; Y31-V126 WeakPolarHBondContact OH-CG1 3.4Å; Y31-V130 HydrophobicContact CD2-CG1 4.18Å; Y31-V130 HydrophobicContact CE1-CG1 4.05Å; Y31-V130 HydrophobicContact CE2-CB 4.23Å; Y31-V130 HydrophobicContact CE2-CG1 3.6Å; Y31-V130 PolarHBondContact OH-O 2.93Å
32	D	90.5	Very high	94.4	Very high	41 Å²	41	69.4 Å²	69.4	22%	0.219	36%	0.356	C	S	.	.	S	Bend	trans	-131.4	172.5	177.4	75.3	12.8	0	0	0	112.7	K14 T34	K14-D32 WeakPolarHBondContact CD-OD2 3.5Å; K14-D32 VanDerWaalsContact CG-OD2 3.23Å; K14-D32 WeakPolarHBondContact CG-OD2 3.47Å; K14-D32 IonicContact NZ-OD2 2.85Å; K14-D32 PolarHBondContact NZ-OD2 3.41Å; D32-T34 VanDerWaalsContact C-N 3.27Å; D32-T34 PolarHBondContact O-N 3.09Å; D32-T34 WeakPolarHBondContact OD1-CB 3.34Å; D32-T34 PolarHBondContact OD1-N 2.99Å; D32-T34 PolarHBondContact OD1-OG1 3.23Å; D32-T34 PolarHBondContact OD2-OG1 2.77Å
33	D	90.1	Very high	94.5	Very high	147 Å²	147	66.4 Å²	66.4	79%	0.786	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	18.5	-179.3	-62.7	-45.3	0	0	0	112.8	Y35 P36	D33-Y35 VanDerWaalsContact C-N 3.28Å; D33-Y35 PolarHBondContact O-N 3.1Å; D33-P36 WeakPolarHBondContact O-CD 3.18Å
34	T	89.9	Confident	94.7	Very high	63 Å²	63	66 Å²	66	39%	0.387	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-37.3	178.9	-53.8	0	0	0	0	111.2	D32	D32-T34 VanDerWaalsContact C-N 3.27Å; D32-T34 PolarHBondContact O-N 3.09Å; D32-T34 WeakPolarHBondContact OD1-CB 3.34Å; D32-T34 PolarHBondContact OD1-N 2.99Å; D32-T34 PolarHBondContact OD1-OG1 3.23Å; D32-T34 PolarHBondContact OD2-OG1 2.77Å
35	Y	92.3	Very high	94.7	Very high	29 Å²	29	61.2 Å²	61.2	11%	0.114	32%	0.317	C	S	.	.	S	Bend	trans	-127.4	76.6	178.6	-57.7	-74.4	0	0	0	110.3	Y30 D33 T37 E40 Q41 F44 E63 L65	Y30-Y35 HydrophobicContact CD1-CD2 4.23Å; Y30-Y35 AromaticContact CE1-CD2 3.85Å; Y30-Y35 HydrophobicContact CE1-CD2 3.85Å; Y30-Y35 HydrophobicContact CE1-CG 4.4Å; D33-Y35 VanDerWaalsContact C-N 3.28Å; D33-Y35 PolarHBondContact O-N 3.1Å; Y35-T37 VanDerWaalsContact C-N 3.34Å; Y35-T37 PolarHBondContact O-N 3.06Å; Y35-E40 HydrophobicContact CD1-CB 4.21Å; Y35-Q41 VanDerWaalsContact O-CG 3.29Å; Y35-Q41 WeakPolarHBondContact O-CG 3.23Å; Y35-Q41 PolarHBondContact O-NE2 3.15Å; Y35-F44 HydrophobicContact CD1-CB 4.19Å; Y35-F44 HydrophobicContact CD2-CD1 4.26Å; Y35-F44 HydrophobicContact CD2-CG 4.36Å; Y35-F44 HydrophobicContact CE1-CB 3.88Å; Y35-F44 HydrophobicContact CE1-CD2 4.06Å; Y35-F44 HydrophobicContact CE1-CG 4.04Å; Y35-F44 HydrophobicContact CE2-CB 4.38Å; Y35-F44 AromaticContact CE2-CD1 3.89Å; Y35-F44 HydrophobicContact CE2-CD1 3.89Å; Y35-F44 AromaticContact CE2-CD2 3.86Å; Y35-F44 HydrophobicContact CE2-CD2 3.86Å; Y35-F44 AromaticContact CE2-CE1 3.98Å; Y35-F44 HydrophobicContact CE2-CE1 3.98Å; Y35-F44 AromaticContact CE2-CE2 3.97Å; Y35-F44 HydrophobicContact CE2-CE2 3.97Å; Y35-F44 AromaticContact CE2-CG 3.79Å; Y35-F44 HydrophobicContact CE2-CG 3.79Å; Y35-F44 AromaticContact CE2-CZ 3.98Å; Y35-F44 HydrophobicContact CE2-CZ 3.98Å; Y35-F44 AromaticContact CZ-CD2 3.4Å; Y35-F44 VanDerWaalsContact CZ-CD2 3.4Å; Y35-F44 AromaticContact CZ-CE2 3.77Å; Y35-F44 AromaticContact CZ-CG 3.61Å; Y35-F44 WeakPolarHBondContact OH-CD2 3.48Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.16Å; Y35-E63 PolarHBondContact OH-OE2 3.24Å; Y35-L65 HydrophobicContact CE2-CD1 3.9Å
36	P	91.7	Very high	94.7	Very high	87 Å²	87	64.3 Å²	64.3	57%	0.565	33%	0.333	S	S	*	.			trans	-72.7	-26.3	-169.3	28.6	-34.9	0	0	0	113	D33 E40	D33-P36 WeakPolarHBondContact O-CD 3.18Å; P36-E40 VanDerWaalsContact CD-OE2 3.26Å; P36-E40 WeakPolarHBondContact CD-OE2 3.08Å; P36-E40 WeakPolarHBondContact CG-OE2 3.14Å
37	T	95.5	Very high	94.6	Very high	65 Å²	65	65.1 Å²	65.1	40%	0.399	34%	0.337	S	S	.	.	S	Bend	trans	-102.2	146	180	72.2	0	0	0	0	112.5	Y35 K39 E40 Q41	Y35-T37 VanDerWaalsContact C-N 3.34Å; Y35-T37 PolarHBondContact O-N 3.06Å; T37-K39 PolarHBondContact O-N 3.38Å; T37-K39 VanDerWaalsContact O-N 3.12Å; T37-E40 WeakPolarHBondContact CB-OE2 3.07Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.37Å; T37-E40 PolarHBondContact N-OE2 2.64Å; T37-E40 VanDerWaalsContact N-OE2 3.15Å; T37-E40 PolarHBondContact O-N 3.35Å; T37-E40 VanDerWaalsContact OG1-CG 3.26Å; T37-E40 WeakPolarHBondContact OG1-CG 3.46Å; T37-E40 PolarHBondContact OG1-N 2.72Å; T37-E40 PolarHBondContact OG1-OE2 3.03Å; T37-Q41 WeakPolarHBondContact O-CG 3.4Å; T37-Q41 PolarHBondContact O-N 2.88Å
38	V	94.6	Very high	94.4	Very high	86 Å²	86	64.5 Å²	64.5	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-56.2	-31.5	174.1	-179.5	0	0	0	0	111.8	K42	V38-K42 HydrophobicContact CG1-CD 4.37Å; V38-K42 HydrophobicContact CG1-CG 4.45Å; V38-K42 WeakPolarHBondContact O-CB 3.37Å; V38-K42 WeakPolarHBondContact O-CG 3.2Å; V38-K42 PolarHBondContact O-N 2.81Å
39	K	95.8	Very high	94.3	Very high	175 Å²	175	64 Å²	64	76%	0.761	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-45	177.4	-175.9	-177.1	175.5	-172.9	0	111.6	T37 A43	T37-K39 PolarHBondContact O-N 3.38Å; T37-K39 VanDerWaalsContact O-N 3.12Å; K39-A43 PolarHBondContact O-N 3.4Å; K39-A43 VanDerWaalsContact O-N 3.11Å
40	E	94.9	Very high	94.1	Very high	87 Å²	87	65.9 Å²	65.9	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-68.3	-43.4	178	-71.7	158.7	155.7	0	0	111.1	Y35 P36 T37 K42 A43 F44	Y35-E40 HydrophobicContact CD1-CB 4.21Å; P36-E40 VanDerWaalsContact CD-OE2 3.26Å; P36-E40 WeakPolarHBondContact CD-OE2 3.08Å; P36-E40 WeakPolarHBondContact CG-OE2 3.14Å; T37-E40 WeakPolarHBondContact CB-OE2 3.07Å; T37-E40 WeakPolarHBondContact CG2-OE2 3.37Å; T37-E40 PolarHBondContact N-OE2 2.64Å; T37-E40 VanDerWaalsContact N-OE2 3.15Å; T37-E40 PolarHBondContact O-N 3.35Å; T37-E40 VanDerWaalsContact OG1-CG 3.26Å; T37-E40 WeakPolarHBondContact OG1-CG 3.46Å; T37-E40 PolarHBondContact OG1-N 2.72Å; T37-E40 PolarHBondContact OG1-OE2 3.03Å; E40-K42 PolarHBondContact O-N 2.93Å; E40-A43 WeakPolarHBondContact O-CB 3.35Å; E40-A43 PolarHBondContact O-N 2.97Å; E40-A43 VanDerWaalsContact O-N 3.14Å; E40-F44 PolarHBondContact O-N 3.11Å
41	Q	96.1	Very high	93.8	Very high	29 Å²	29	69 Å²	69	14%	0.136	35%	0.354	C	S	.	.	H	α-helix	trans	-56.8	-47.8	175.5	-65.8	171.9	4.5	0	0	111.9	Y30 Y35 T37 A43 F44 E45	Y30-Q41 HydrophobicContact CD1-CG 4.46Å; Y30-Q41 HydrophobicContact CD2-CG 3.9Å; Y30-Q41 HydrophobicContact CE1-CG 4.13Å; Y30-Q41 HydrophobicContact CE2-CB 3.74Å; Y30-Q41 HydrophobicContact CE2-CG 3.5Å; Y30-Q41 HydrophobicContact CG-CG 4.36Å; Y30-Q41 PolarHBondContact OH-O 3.23Å; Y35-Q41 VanDerWaalsContact O-CG 3.29Å; Y35-Q41 WeakPolarHBondContact O-CG 3.23Å; Y35-Q41 PolarHBondContact O-NE2 3.15Å; T37-Q41 WeakPolarHBondContact O-CG 3.4Å; T37-Q41 PolarHBondContact O-N 2.88Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.49Å; Q41-F44 WeakPolarHBondContact O-CB 3.49Å; Q41-F44 PolarHBondContact O-N 3.3Å; Q41-E45 WeakPolarHBondContact O-CB 3.38Å; Q41-E45 WeakPolarHBondContact O-CG 3.45Å; Q41-E45 PolarHBondContact O-N 3.02Å
42	K	95.8	Very high	93.5	Very high	123 Å²	123	67 Å²	67	54%	0.535	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-35.2	177.1	-76.4	-172.1	173.4	-167.3	0	113.1	V38 E40 K46	V38-K42 HydrophobicContact CG1-CD 4.37Å; V38-K42 HydrophobicContact CG1-CG 4.45Å; V38-K42 WeakPolarHBondContact O-CB 3.37Å; V38-K42 WeakPolarHBondContact O-CG 3.2Å; V38-K42 PolarHBondContact O-N 2.81Å; E40-K42 PolarHBondContact O-N 2.93Å; K42-K46 WeakPolarHBondContact O-CB 3.5Å; K42-K46 PolarHBondContact O-N 2.75Å; K42-K46 VanDerWaalsContact O-N 3.09Å
43	A	95.4	Very high	93.2	Very high	63 Å²	63	67.9 Å²	67.9	52%	0.521	35%	0.349	S	S	.	.	H	α-helix	trans	-65.8	-42	175.4	0	0	0	0	0	111.1	K39 E40 Q41 N47	K39-A43 PolarHBondContact O-N 3.4Å; K39-A43 VanDerWaalsContact O-N 3.11Å; E40-A43 WeakPolarHBondContact O-CB 3.35Å; E40-A43 PolarHBondContact O-N 2.97Å; E40-A43 VanDerWaalsContact O-N 3.14Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.49Å; A43-N47 PolarHBondContact O-N 3.03Å
44	F	95.6	Very high	92.7	Very high	4 Å²	4	71 Å²	71	2%	0.018	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-48.4	175.7	175.8	-112.5	0	0	0	112.4	L17 Y30 Y35 E40 Q41 K46 N47 I48 L65 I80	L17-F44 HydrophobicContact CD1-CE1 4.3Å; Y30-F44 HydrophobicContact CE1-CD1 4.28Å; Y35-F44 HydrophobicContact CD1-CB 4.19Å; Y35-F44 HydrophobicContact CD2-CD1 4.26Å; Y35-F44 HydrophobicContact CD2-CG 4.36Å; Y35-F44 HydrophobicContact CE1-CB 3.88Å; Y35-F44 HydrophobicContact CE1-CD2 4.06Å; Y35-F44 HydrophobicContact CE1-CG 4.04Å; Y35-F44 HydrophobicContact CE2-CB 4.38Å; Y35-F44 AromaticContact CE2-CD1 3.89Å; Y35-F44 HydrophobicContact CE2-CD1 3.89Å; Y35-F44 AromaticContact CE2-CD2 3.86Å; Y35-F44 HydrophobicContact CE2-CD2 3.86Å; Y35-F44 AromaticContact CE2-CE1 3.98Å; Y35-F44 HydrophobicContact CE2-CE1 3.98Å; Y35-F44 AromaticContact CE2-CE2 3.97Å; Y35-F44 HydrophobicContact CE2-CE2 3.97Å; Y35-F44 AromaticContact CE2-CG 3.79Å; Y35-F44 HydrophobicContact CE2-CG 3.79Å; Y35-F44 AromaticContact CE2-CZ 3.98Å; Y35-F44 HydrophobicContact CE2-CZ 3.98Å; Y35-F44 AromaticContact CZ-CD2 3.4Å; Y35-F44 VanDerWaalsContact CZ-CD2 3.4Å; Y35-F44 AromaticContact CZ-CE2 3.77Å; Y35-F44 AromaticContact CZ-CG 3.61Å; Y35-F44 WeakPolarHBondContact OH-CD2 3.48Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.16Å; E40-F44 PolarHBondContact O-N 3.11Å; Q41-F44 WeakPolarHBondContact O-CB 3.49Å; Q41-F44 PolarHBondContact O-N 3.3Å; F44-K46 VanDerWaalsContact C-N 3.3Å; F44-K46 PolarHBondContact O-N 3.14Å; F44-N47 WeakPolarHBondContact O-CA 3.32Å; F44-N47 WeakPolarHBondContact O-CB 3.41Å; F44-N47 PolarHBondContact O-N 3.41Å; F44-I48 HydrophobicContact CD1-CD1 4Å; F44-I48 HydrophobicContact CD2-CD1 4.46Å; F44-I48 HydrophobicContact CD2-CG1 4.4Å; F44-I48 HydrophobicContact CE1-CD1 3.31Å; F44-I48 HydrophobicContact CE1-CG1 4.22Å; F44-I48 HydrophobicContact CE2-CD1 3.84Å; F44-I48 HydrophobicContact CE2-CG1 4.01Å; F44-I48 HydrophobicContact CZ-CD1 3.24Å; F44-I48 HydrophobicContact CZ-CG1 3.95Å; F44-I48 PolarHBondContact O-N 2.88Å; F44-L65 HydrophobicContact CE2-CD1 3.97Å; F44-L65 HydrophobicContact CZ-CD1 3.83Å; F44-I80 HydrophobicContact CE1-CG1 4.26Å; F44-I80 HydrophobicContact CZ-CG1 4.29Å; F44-I80 HydrophobicContact CZ-CG2 4.25Å
45	E	96	Very high	92.1	Very high	6 Å²	6	71 Å²	71	3%	0.028	35%	0.35	C	S	.	.	H	α-helix	trans	-54.1	-47.1	175.6	-77.2	159.8	-169.3	0	0	111.7	L17 L19 R25 Y30 Q41 N47 I48 F49	L17-E45 HydrophobicContact CD1-CG 3.98Å; L19-E45 HydrophobicContact CD1-CB 4.45Å; L19-E45 HydrophobicContact CD2-CB 4.45Å; L19-E45 HydrophobicContact CD2-CG 4.29Å; R25-E45 IonicContact CZ-OE1 2.84Å; R25-E45 IonicContact CZ-OE2 2.64Å; R25-E45 VanDerWaalsContact CZ-OE2 3.3Å; R25-E45 IonicContact NE-OE1 3.01Å; R25-E45 PolarHBondContact NE-OE1 2.92Å; R25-E45 IonicContact NE-OE2 3.31Å; R25-E45 PolarHBondContact NE-OE2 2.86Å; R25-E45 IonicContact NH1-OE1 3.61Å; R25-E45 IonicContact NH2-OE1 2.63Å; R25-E45 PolarHBondContact NH2-OE1 2.86Å; R25-E45 IonicContact NH2-OE2 3.9Å; R25-E45 PolarHBondContact NH2-OE2 3.36Å; Y30-E45 PolarHBondContact OH-OE1 3.24Å; Q41-E45 WeakPolarHBondContact O-CB 3.38Å; Q41-E45 WeakPolarHBondContact O-CG 3.45Å; Q41-E45 PolarHBondContact O-N 3.02Å; E45-N47 VanDerWaalsContact C-N 3.29Å; E45-N47 PolarHBondContact O-N 3.02Å; E45-I48 PolarHBondContact O-N 2.95Å; E45-F49 WeakPolarHBondContact O-CB 3.46Å; E45-F49 PolarHBondContact O-N 2.94Å
46	K	95.2	Very high	90.9	Very high	142 Å²	142	77.9 Å²	77.9	62%	0.617	39%	0.389	S	S	*	.	H	α-helix	trans	-62.4	-37.3	176.3	-172.5	171.8	-176.1	172.3	0	112.1	K42 F44 N50	K42-K46 WeakPolarHBondContact O-CB 3.5Å; K42-K46 PolarHBondContact O-N 2.75Å; K42-K46 VanDerWaalsContact O-N 3.09Å; F44-K46 VanDerWaalsContact C-N 3.3Å; F44-K46 PolarHBondContact O-N 3.14Å; K46-N50 WeakPolarHBondContact O-CB 3.45Å; K46-N50 PolarHBondContact O-N 3.08Å; K46-N50 VanDerWaalsContact O-N 3.11Å; K46-N50 PolarHBondContact O-ND2 2.95Å
47	N	93.8	Very high	89.8	Confident	45 Å²	45	76.7 Å²	76.7	24%	0.241	38%	0.383	C	S	.	.	H	α-helix	trans	-67.6	-45.9	177.5	-165.8	9.4	0	0	0	111.6	A43 F44 E45 K51 E63	A43-N47 PolarHBondContact O-N 3.03Å; F44-N47 WeakPolarHBondContact O-CA 3.32Å; F44-N47 WeakPolarHBondContact O-CB 3.41Å; F44-N47 PolarHBondContact O-N 3.41Å; E45-N47 VanDerWaalsContact C-N 3.29Å; E45-N47 PolarHBondContact O-N 3.02Å; N47-K51 WeakPolarHBondContact O-CG 3.39Å; N47-K51 PolarHBondContact O-N 3.34Å; N47-K51 WeakPolarHBondContact OD1-CE 3.32Å; N47-K51 PolarHBondContact OD1-NZ 2.97Å; N47-E63 PolarHBondContact ND2-OE1 2.94Å
48	I	93.9	Very high	89.3	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-56.4	-56.9	174.2	-74.6	-173	0	0	0	109.6	L17 F44 E45 N50 K51 T52 L62 V67 Y78 I80	L17-I48 HydrophobicContact CD1-CD1 4.33Å; F44-I48 HydrophobicContact CD1-CD1 4Å; F44-I48 HydrophobicContact CD2-CD1 4.46Å; F44-I48 HydrophobicContact CD2-CG1 4.4Å; F44-I48 HydrophobicContact CE1-CD1 3.31Å; F44-I48 HydrophobicContact CE1-CG1 4.22Å; F44-I48 HydrophobicContact CE2-CD1 3.84Å; F44-I48 HydrophobicContact CE2-CG1 4.01Å; F44-I48 HydrophobicContact CZ-CD1 3.24Å; F44-I48 HydrophobicContact CZ-CG1 3.95Å; F44-I48 PolarHBondContact O-N 2.88Å; E45-I48 PolarHBondContact O-N 2.95Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 3.33Å; I48-K51 PolarHBondContact O-N 2.83Å; I48-T52 HydrophobicContact CG2-CG2 4.16Å; I48-T52 WeakPolarHBondContact O-CG2 3.45Å; I48-T52 PolarHBondContact O-N 2.86Å; I48-T52 PolarHBondContact O-OG1 2.84Å; I48-L62 HydrophobicContact CB-CD1 4.49Å; I48-L62 HydrophobicContact CG1-CD1 3.96Å; I48-V67 HydrophobicContact CD1-CG1 4.13Å; I48-V67 HydrophobicContact CD1-CG2 4.03Å; I48-V67 HydrophobicContact CG2-CG1 4.43Å; I48-Y78 HydrophobicContact CG2-CD1 3.46Å; I48-Y78 VanDerWaalsContact CG2-CD1 3.46Å; I48-Y78 HydrophobicContact CG2-CE1 3.2Å; I48-Y78 HydrophobicContact CG2-CE2 4.37Å; I48-Y78 HydrophobicContact CG2-CG 4.18Å; I48-I80 HydrophobicContact CD1-CD1 4.37Å; I48-I80 HydrophobicContact CD1-CG1 4.12Å
49	F	94.4	Very high	89.1	Confident	18 Å²	18	78 Å²	78	8%	0.079	38%	0.38	C	S	.	.	H	α-helix	trans	-56.1	-46.6	-175.1	-177	-99.9	0	0	0	112.1	L19 D20 N21 E45 K51 T52 H53 F76	L19-F49 HydrophobicContact CD1-CB 4Å; L19-F49 HydrophobicContact CD1-CD2 4.27Å; D20-F49 WeakPolarHBondContact O-CE2 3.48Å; N21-F49 VanDerWaalsContact O-CZ 3.31Å; N21-F49 WeakPolarHBondContact O-CZ 3.43Å; E45-F49 WeakPolarHBondContact O-CB 3.46Å; E45-F49 PolarHBondContact O-N 2.94Å; F49-K51 PolarHBondContact O-N 2.9Å; F49-K51 VanDerWaalsContact O-N 3.17Å; F49-T52 PolarHBondContact O-N 3.31Å; F49-H53 HydrophobicContact CD1-CB 4.5Å; F49-H53 HydrophobicContact CD2-CB 4.3Å; F49-H53 HydrophobicContact CE1-CB 4.13Å; F49-H53 HydrophobicContact CE2-CB 3.91Å; F49-H53 HydrophobicContact CZ-CB 3.8Å; F49-H53 WeakPolarHBondContact O-CB 3.3Å; F49-H53 PolarHBondContact O-N 2.9Å; F49-H53 PolarHBondContact O-ND1 3.04Å; F49-F76 AromaticContact CE2-CD2 3.85Å; F49-F76 HydrophobicContact CE2-CD2 3.85Å; F49-F76 AromaticContact CE2-CE2 3.87Å; F49-F76 HydrophobicContact CE2-CE2 3.87Å; F49-F76 HydrophobicContact CE2-CG 4.31Å; F49-F76 HydrophobicContact CE2-CZ 4.3Å
50	N	92.6	Very high	89	Confident	92 Å²	92	70.9 Å²	70.9	49%	0.492	35%	0.353	S	S	.	.	H	α-helix	trans	-58.3	-32.6	178	-76.7	-30.4	0	0	0	113.3	K46 I48 H53	K46-N50 WeakPolarHBondContact O-CB 3.45Å; K46-N50 PolarHBondContact O-N 3.08Å; K46-N50 VanDerWaalsContact O-N 3.11Å; K46-N50 PolarHBondContact O-ND2 2.95Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 3.33Å; N50-H53 PolarHBondContact O-CE1 2.95Å; N50-H53 PolarHBondContact O-ND1 3.27Å
51	K	90.3	Very high	88.8	Confident	102 Å²	102	72.4 Å²	72.4	44%	0.443	36%	0.364	S	S	.	.	H	α-helix	trans	-88.7	-25.1	-178.5	-69.8	-179.5	-179.8	170.9	0	113.7	N47 I48 F49 L62	N47-K51 WeakPolarHBondContact O-CG 3.39Å; N47-K51 PolarHBondContact O-N 3.34Å; N47-K51 WeakPolarHBondContact OD1-CE 3.32Å; N47-K51 PolarHBondContact OD1-NZ 2.97Å; I48-K51 PolarHBondContact O-N 2.83Å; F49-K51 PolarHBondContact O-N 2.9Å; F49-K51 VanDerWaalsContact O-N 3.17Å; K51-L62 HydrophobicContact CB-CD1 4.4Å; K51-L62 HydrophobicContact CB-CD2 4.37Å; K51-L62 HydrophobicContact CD-CD1 4.25Å; K51-L62 HydrophobicContact CD-CD2 3.28Å; K51-L62 HydrophobicContact CD-CG 4.39Å; K51-L62 HydrophobicContact CG-CD2 4.46Å
52	T	89.8	Confident	88.4	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.006	36%	0.361	C	S	.	.	H	α-helix	trans	-103.4	-28.2	-173.7	61.3	0	0	0	0	113.9	I48 F49 R54 T55 Y69 Y78	I48-T52 HydrophobicContact CG2-CG2 4.16Å; I48-T52 WeakPolarHBondContact O-CG2 3.45Å; I48-T52 PolarHBondContact O-N 2.86Å; I48-T52 PolarHBondContact O-OG1 2.84Å; F49-T52 PolarHBondContact O-N 3.31Å; T52-R54 PolarHBondContact O-N 3.03Å; T52-T55 PolarHBondContact O-N 3.19Å; T52-T55 VanDerWaalsContact O-N 3.11Å; T52-Y69 HydrophobicContact CG2-CD1 3.87Å; T52-Y69 HydrophobicContact CG2-CD2 4.31Å; T52-Y69 HydrophobicContact CG2-CE1 3.59Å; T52-Y69 HydrophobicContact CG2-CE2 4.06Å; T52-Y69 HydrophobicContact CG2-CG 4.21Å; T52-Y78 HydrophobicContact CG2-CE1 4.06Å; T52-Y78 WeakPolarHBondContact OG1-CE1 3.45Å; T52-Y78 PolarHBondContact OG1-OH 3.24Å
53	H	83.6	Confident	88	Confident	60 Å²	60	71.1 Å²	71.1	28%	0.278	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.7	-171	77.4	-70.2	0	0	0	115.3	F49 N50 F76	F49-H53 HydrophobicContact CD1-CB 4.5Å; F49-H53 HydrophobicContact CD2-CB 4.3Å; F49-H53 HydrophobicContact CE1-CB 4.13Å; F49-H53 HydrophobicContact CE2-CB 3.91Å; F49-H53 HydrophobicContact CZ-CB 3.8Å; F49-H53 WeakPolarHBondContact O-CB 3.3Å; F49-H53 PolarHBondContact O-N 2.9Å; F49-H53 PolarHBondContact O-ND1 3.04Å; N50-H53 PolarHBondContact O-CE1 2.95Å; N50-H53 PolarHBondContact O-ND1 3.27Å; H53-F76 HydrophobicContact CB-CE1 4.25Å; H53-F76 HydrophobicContact CB-CZ 4.21Å
54	R	80.4	Confident	87.6	Confident	214 Å²	214	70.1 Å²	70.1	81%	0.808	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	5.2	-179.3	-63.4	-178.7	-174.6	-171.1	0.2	113.6	T52	T52-R54 PolarHBondContact O-N 3.03Å
55	T	76.8	Confident	87.5	Confident	63 Å²	63	70.6 Å²	70.6	39%	0.387	36%	0.358	S	S	.	.			trans	-121.7	127.5	-168	-54.2	0	0	0	0	109.1	T52 S57 Y69	T52-T55 PolarHBondContact O-N 3.19Å; T52-T55 VanDerWaalsContact O-N 3.11Å; T55-S57 WeakPolarHBondContact CG2-OG 3.42Å; T55-S57 PolarHBondContact O-N 2.94Å; T55-Y69 WeakPolarHBondContact CB-OH 3.42Å; T55-Y69 PolarHBondContact O-OH 3.47Å
56	D	66.7	Low	87.4	Confident	173 Å²	173	70.4 Å²	70.4	93%	0.925	36%	0.358	S	S	*	.			trans	-80	17.8	175.5	-82.3	-20.4	0	0	0	112.6
57	S	69.6	Low	87.5	Confident	62 Å²	62	63.6 Å²	63.6	43%	0.434	33%	0.328	S	S	.	.			trans	-83.6	144.7	176.3	-61.1	0	0	0	0	109.2	T55 Y69	T55-S57 WeakPolarHBondContact CG2-OG 3.42Å; T55-S57 PolarHBondContact O-N 2.94Å; S57-Y69 WeakPolarHBondContact O-CE1 3.37Å; S57-Y69 WeakPolarHBondContact O-CE2 3.27Å; S57-Y69 PolarHBondContact O-OH 2.89Å
58	E	84.1	Confident	87.6	Confident	120 Å²	120	61.5 Å²	61.5	56%	0.561	32%	0.317	S	S	*	.	S	Bend	trans	-91.5	-9.4	178.1	-62.7	-179.4	165.1	0	0	112.1	V68 Y69 M91	E58-V68 CarbonylContact O-C 3.56Å; E58-V68 VanDerWaalsContact O-CA 3.29Å; E58-V68 WeakPolarHBondContact O-CA 3.43Å; E58-Y69 PolarHBondContact O-N 3.42Å; E58-M91 HydrophobicContact CB-CE 4.17Å; E58-M91 HydrophobicContact CB-SD 4.46Å; E58-M91 WeakPolarHBondContact OE2-CE 2.98Å
59	I	91.4	Very high	87.6	Confident	59 Å²	59	61.9 Å²	61.9	30%	0.303	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.1	-170.9	-46.8	179.3	0	0	0	109.7	T66 V67 V68 E87 M91	I59-T66 HydrophobicContact CG2-CG2 4.44Å; I59-V67 CarbonylContact C-O 3.59Å; I59-V67 WeakPolarHBondContact CA-O 3.06Å; I59-V68 HydrophobicContact CG1-CG1 4.1Å; I59-V68 HydrophobicContact CG2-CG1 4.17Å; I59-E87 HydrophobicContact CD1-CB 4.11Å; I59-E87 VanDerWaalsContact CD1-OE2 3.26Å; I59-E87 WeakPolarHBondContact CD1-OE2 3.49Å; I59-E87 HydrophobicContact CG2-CG 4.33Å; I59-M91 HydrophobicContact CD1-CG 4.47Å; I59-M91 HydrophobicContact CG1-SD 4.49Å
60	A	91.8	Very high	87.5	Confident	24 Å²	24	64.2 Å²	64.2	20%	0.198	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	143.7	175.7	0	0	0	0	0	111.2	L62 V67 Y69	A60-L62 HydrophobicContact CB-CD1 4.33Å; A60-L62 HydrophobicContact CB-CG 4.13Å; A60-V67 PolarHBondContact N-O 3.03Å; A60-V67 PolarHBondContact O-N 3.4Å; A60-Y69 HydrophobicContact CB-CE1 4.21Å
61	L	91.1	Very high	87.4	Confident	120 Å²	120	63 Å²	63	63%	0.628	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.3	170.9	-173.3	72.9	0	0	0	109.3	L65	L61-L65 CarbonylContact C-O 3.53Å; L61-L65 WeakPolarHBondContact CA-O 3.5Å
62	L	88.8	Confident	87.3	Confident	14 Å²	14	60.2 Å²	60.2	7%	0.073	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.1	-173.4	-62.3	-179.4	0	0	0	110.4	I48 K51 A60 G64 L65 V67	I48-L62 HydrophobicContact CB-CD1 4.49Å; I48-L62 HydrophobicContact CG1-CD1 3.96Å; K51-L62 HydrophobicContact CB-CD1 4.4Å; K51-L62 HydrophobicContact CB-CD2 4.37Å; K51-L62 HydrophobicContact CD-CD1 4.25Å; K51-L62 HydrophobicContact CD-CD2 3.28Å; K51-L62 HydrophobicContact CD-CG 4.39Å; K51-L62 HydrophobicContact CG-CD2 4.46Å; A60-L62 HydrophobicContact CB-CD1 4.33Å; A60-L62 HydrophobicContact CB-CG 4.13Å; L62-G64 PolarHBondContact O-N 3.17Å; L62-G64 VanDerWaalsContact O-N 3.1Å; L62-L65 PolarHBondContact N-O 3.36Å; L62-L65 WeakPolarHBondContact O-CA 3.36Å; L62-L65 VanDerWaalsContact O-CB 3.32Å; L62-L65 WeakPolarHBondContact O-CB 3.5Å; L62-L65 PolarHBondContact O-N 3.2Å; L62-V67 HydrophobicContact CB-CG2 4.22Å; L62-V67 HydrophobicContact CD1-CG2 4.27Å; L62-V67 HydrophobicContact CG-CG2 4.46Å
63	E	86.3	Confident	87.2	Confident	111 Å²	111	65.4 Å²	65.4	52%	0.519	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	26.9	178.7	-57.9	-174.9	176.2	0	0	114.2	Y35 N47 L65	Y35-E63 PolarHBondContact OH-OE2 3.24Å; N47-E63 PolarHBondContact ND2-OE1 2.94Å; E63-L65 VanDerWaalsContact C-N 3.3Å
64	G	88.3	Confident	87.4	Confident	42 Å²	42	64.6 Å²	64.6	43%	0.433	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	19	-174.7	0	0	0	0	0	113.5	L62 S83	L62-G64 PolarHBondContact O-N 3.17Å; L62-G64 VanDerWaalsContact O-N 3.1Å; G64-S83 WeakPolarHBondContact O-CB 3.33Å; G64-S83 PolarHBondContact O-N 3.07Å; G64-S83 PolarHBondContact O-OG 3.29Å
65	L	93.1	Very high	88	Confident	13 Å²	13	54.4 Å²	54.4	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.1	173.5	-58.8	174.7	0	0	0	109.9	K14 Y35 F44 L61 L62 E63 I80	K14-L65 HydrophobicContact CD-CD2 3.57Å; Y35-L65 HydrophobicContact CE2-CD1 3.9Å; F44-L65 HydrophobicContact CE2-CD1 3.97Å; F44-L65 HydrophobicContact CZ-CD1 3.83Å; L61-L65 CarbonylContact C-O 3.53Å; L61-L65 WeakPolarHBondContact CA-O 3.5Å; L62-L65 PolarHBondContact N-O 3.36Å; L62-L65 WeakPolarHBondContact O-CA 3.36Å; L62-L65 VanDerWaalsContact O-CB 3.32Å; L62-L65 WeakPolarHBondContact O-CB 3.5Å; L62-L65 PolarHBondContact O-N 3.2Å; E63-L65 VanDerWaalsContact C-N 3.3Å; L65-I80 HydrophobicContact CB-CG2 3.89Å; L65-I80 HydrophobicContact CD1-CG2 3.93Å; L65-I80 HydrophobicContact CG-CG2 4.39Å
66	T	94.6	Very high	88.9	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.4	172.4	-63.1	0	0	0	0	108	I59 I80 G81 S82 S83 E87 L90	I59-T66 HydrophobicContact CG2-CG2 4.44Å; T66-I80 WeakPolarHBondContact O-CA 3.48Å; T66-G81 PolarHBondContact N-O 3Å; T66-G81 PolarHBondContact O-N 3.45Å; T66-S82 WeakPolarHBondContact CB-O 3.32Å; T66-S82 PolarHBondContact OG1-O 2.99Å; T66-S83 WeakPolarHBondContact OG1-CA 3.42Å; T66-E87 HydrophobicContact CG2-CG 3.77Å; T66-L90 HydrophobicContact CG2-CD1 3.65Å
67	V	95.4	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.8	-179.5	-178.5	0	0	0	0	107.9	I48 I59 A60 L62 Y78 I80	I48-V67 HydrophobicContact CD1-CG1 4.13Å; I48-V67 HydrophobicContact CD1-CG2 4.03Å; I48-V67 HydrophobicContact CG2-CG1 4.43Å; I59-V67 CarbonylContact C-O 3.59Å; I59-V67 WeakPolarHBondContact CA-O 3.06Å; A60-V67 PolarHBondContact N-O 3.03Å; A60-V67 PolarHBondContact O-N 3.4Å; L62-V67 HydrophobicContact CB-CG2 4.22Å; L62-V67 HydrophobicContact CD1-CG2 4.27Å; L62-V67 HydrophobicContact CG-CG2 4.46Å; V67-Y78 HydrophobicContact CG1-CD1 3.92Å; V67-I80 HydrophobicContact CG1-CG1 4.27Å; V67-I80 HydrophobicContact CG2-CG1 4.01Å; V67-I80 HydrophobicContact CG2-CG2 4.33Å
68	V	95.9	Very high	91.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.4	168.8	-56.2	0	0	0	0	108.9	E58 I59 Y78 V79 L90 M91 L94	E58-V68 CarbonylContact O-C 3.56Å; E58-V68 VanDerWaalsContact O-CA 3.29Å; E58-V68 WeakPolarHBondContact O-CA 3.43Å; I59-V68 HydrophobicContact CG1-CG1 4.1Å; I59-V68 HydrophobicContact CG2-CG1 4.17Å; V68-Y78 WeakPolarHBondContact O-CA 3.45Å; V68-V79 HydrophobicContact CG2-CB 3.7Å; V68-V79 HydrophobicContact CG2-CG1 4.48Å; V68-V79 WeakPolarHBondContact CG2-O 3.28Å; V68-V79 PolarHBondContact N-O 3.35Å; V68-V79 PolarHBondContact O-N 3.45Å; V68-L90 HydrophobicContact CB-CB 4.41Å; V68-L90 HydrophobicContact CG1-CB 3.86Å; V68-L90 HydrophobicContact CG1-CD1 4.42Å; V68-L90 HydrophobicContact CG2-CB 3.6Å; V68-M91 HydrophobicContact CB-CG 4.27Å; V68-M91 HydrophobicContact CB-SD 3.69Å; V68-M91 HydrophobicContact CG1-CG 4.01Å; V68-M91 HydrophobicContact CG1-SD 4.04Å; V68-M91 HydrophobicContact CG2-SD 4.28Å; V68-L94 HydrophobicContact CB-CD2 4.32Å; V68-L94 HydrophobicContact CG2-CB 4.16Å; V68-L94 HydrophobicContact CG2-CD2 4.09Å
69	Y	95.3	Very high	92.2	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.039	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.9	-173.5	70.4	-82.1	0	0	0	113.8	T52 T55 S57 E58 A60 F77 Y78	T52-Y69 HydrophobicContact CG2-CD1 3.87Å; T52-Y69 HydrophobicContact CG2-CD2 4.31Å; T52-Y69 HydrophobicContact CG2-CE1 3.59Å; T52-Y69 HydrophobicContact CG2-CE2 4.06Å; T52-Y69 HydrophobicContact CG2-CG 4.21Å; T55-Y69 WeakPolarHBondContact CB-OH 3.42Å; T55-Y69 PolarHBondContact O-OH 3.47Å; S57-Y69 WeakPolarHBondContact O-CE1 3.37Å; S57-Y69 WeakPolarHBondContact O-CE2 3.27Å; S57-Y69 PolarHBondContact O-OH 2.89Å; E58-Y69 PolarHBondContact O-N 3.42Å; A60-Y69 HydrophobicContact CB-CE1 4.21Å; Y69-F77 CarbonylContact C-O 3.54Å; Y69-F77 WeakPolarHBondContact CA-O 3.49Å; Y69-F77 VanDerWaalsContact CB-O 3.29Å; Y69-F77 WeakPolarHBondContact CB-O 3.4Å; Y69-Y78 HydrophobicContact CD2-CE1 4.26Å; Y69-Y78 HydrophobicContact CG-CD1 4.17Å; Y69-Y78 AromaticContact CG-CE1 3.95Å; Y69-Y78 HydrophobicContact CG-CE1 3.95Å
70	K	92.1	Very high	92.5	Very high	66 Å²	66	32.7 Å²	32.7	29%	0.287	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	134.3	178.5	-177.7	170.6	-171.5	159.9	0	109.3	F77 L94 F98	K70-F77 PolarHBondContact N-O 3.02Å; K70-F77 PolarHBondContact O-N 3.43Å; K70-L94 HydrophobicContact CB-CD1 4.42Å; K70-L94 HydrophobicContact CB-CD2 3.96Å; K70-L94 HydrophobicContact CB-CG 4.37Å; K70-F98 HydrophobicContact CD-CD1 4.4Å; K70-F98 HydrophobicContact CD-CD2 4.38Å; K70-F98 HydrophobicContact CD-CG 4.19Å
71	S	90.6	Very high	92.6	Very high	68 Å²	68	31.5 Å²	31.5	48%	0.476	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.8	171.6	58.9	0	0	0	0	110.6	L75	S71-L75 CarbonylContact C-O 3.47Å; S71-L75 WeakPolarHBondContact CA-O 3.38Å
72	N	88.3	Confident	92.7	Very high	43 Å²	43	27.2 Å²	27.2	23%	0.23	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	117	171.2	-167.5	-72.8	0	0	0	109.5	D74 L75 F77 F98 V110	N72-D74 PolarHBondContact O-N 2.96Å; N72-L75 PolarHBondContact N-O 3.06Å; N72-L75 PolarHBondContact O-N 2.85Å; N72-F77 HydrophobicContact CB-CE2 4.29Å; N72-F98 HydrophobicContact CB-CE2 3.71Å; N72-F98 HydrophobicContact CB-CZ 4.25Å; N72-F98 VanDerWaalsContact ND2-CZ 3.28Å; N72-F98 WeakPolarHBondContact ND2-CZ 3.49Å; N72-V110 PolarHBondContact OD1-O 3.46Å
73	I	87.3	Confident	92.7	Very high	110 Å²	110	28.7 Å²	28.7	56%	0.564	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	-95	-179.4	-55.7	167	0	0	0	111.5	N109 E111	I73-N109 HydrophobicContact CD1-CB 3.76Å; I73-E111 HydrophobicContact CD1-CB 4.45Å
74	D	88.5	Confident	92.7	Very high	43 Å²	43	30 Å²	30	23%	0.23	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	14.8	-175.7	64.7	-14.8	0	0	0	113.1	D20 N21 N72 E111 R112	D20-D74 CarbonylContact C-O 3.6Å; D20-D74 WeakPolarHBondContact CA-O 3.47Å; N21-D74 HydrophobicContact CB-CB 4.25Å; N21-D74 PolarHBondContact N-O 3.42Å; N72-D74 PolarHBondContact O-N 2.96Å; D74-E111 WeakPolarHBondContact OD1-CA 3.35Å; D74-R112 PolarHBondContact OD1-N 3Å; D74-R112 WeakPolarHBondContact OD2-CB 3.15Å; D74-R112 PolarHBondContact OD2-N 3.43Å
75	L	92.6	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.1	-178.6	-67.6	177.7	0	0	0	112.1	I18 L26 S71 N72 F77 V110 R112 L115	I18-L75 HydrophobicContact CG2-CD2 4.23Å; L26-L75 HydrophobicContact CD1-CD2 3.15Å; S71-L75 CarbonylContact C-O 3.47Å; S71-L75 WeakPolarHBondContact CA-O 3.38Å; N72-L75 PolarHBondContact N-O 3.06Å; N72-L75 PolarHBondContact O-N 2.85Å; L75-F77 HydrophobicContact CB-CD2 4.46Å; L75-F77 HydrophobicContact CB-CE2 3.7Å; L75-F77 HydrophobicContact CB-CZ 4.14Å; L75-F77 HydrophobicContact CD1-CE2 4.32Å; L75-F77 HydrophobicContact CD1-CZ 3.98Å; L75-V110 HydrophobicContact CD1-CG1 4.04Å; L75-R112 HydrophobicContact CD2-CB 4.02Å; L75-R112 HydrophobicContact CG-CB 4.47Å; L75-L115 HydrophobicContact CD1-CB 4.25Å; L75-L115 HydrophobicContact CD1-CD2 4.04Å; L75-L115 HydrophobicContact CD2-CD2 4.32Å
76	F	94.9	Very high	92.6	Very high	16 Å²	16	33.1 Å²	33.1	7%	0.07	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.5	173.8	-69.1	-98.6	0	0	0	109.7	I18 L19 F49 H53 Y78	I18-F76 CarbonylContact C-O 3.55Å; I18-F76 VanDerWaalsContact CA-O 3.32Å; I18-F76 WeakPolarHBondContact CA-O 3.26Å; L19-F76 HydrophobicContact CB-CB 4.46Å; L19-F76 PolarHBondContact N-O 2.98Å; L19-F76 PolarHBondContact O-N 2.92Å; F49-F76 AromaticContact CE2-CD2 3.85Å; F49-F76 HydrophobicContact CE2-CD2 3.85Å; F49-F76 AromaticContact CE2-CE2 3.87Å; F49-F76 HydrophobicContact CE2-CE2 3.87Å; F49-F76 HydrophobicContact CE2-CG 4.31Å; F49-F76 HydrophobicContact CE2-CZ 4.3Å; H53-F76 HydrophobicContact CB-CE1 4.25Å; H53-F76 HydrophobicContact CB-CZ 4.21Å; F76-Y78 HydrophobicContact CB-CD2 4.37Å; F76-Y78 HydrophobicContact CB-CE2 3.4Å; F76-Y78 VanDerWaalsContact CB-CE2 3.4Å
77	F	95.8	Very high	92.4	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.2	179.7	-61.1	-96.5	0	0	0	109.4	I18 Y69 K70 N72 L75 L94 F98 L101 V110	I18-F77 HydrophobicContact CD1-CD1 3.87Å; I18-F77 HydrophobicContact CD1-CE1 3.75Å; I18-F77 HydrophobicContact CG1-CD1 3.84Å; I18-F77 HydrophobicContact CG1-CE1 4.15Å; I18-F77 HydrophobicContact CG2-CD1 4.3Å; I18-F77 HydrophobicContact CG2-CE1 4.17Å; Y69-F77 CarbonylContact C-O 3.54Å; Y69-F77 WeakPolarHBondContact CA-O 3.49Å; Y69-F77 VanDerWaalsContact CB-O 3.29Å; Y69-F77 WeakPolarHBondContact CB-O 3.4Å; K70-F77 PolarHBondContact N-O 3.02Å; K70-F77 PolarHBondContact O-N 3.43Å; N72-F77 HydrophobicContact CB-CE2 4.29Å; L75-F77 HydrophobicContact CB-CD2 4.46Å; L75-F77 HydrophobicContact CB-CE2 3.7Å; L75-F77 HydrophobicContact CB-CZ 4.14Å; L75-F77 HydrophobicContact CD1-CE2 4.32Å; L75-F77 HydrophobicContact CD1-CZ 3.98Å; F77-L94 HydrophobicContact CB-CD1 3.63Å; F77-F98 HydrophobicContact CD2-CD2 4.08Å; F77-F98 AromaticContact CE2-CD2 3.86Å; F77-F98 HydrophobicContact CE2-CD2 3.86Å; F77-F98 HydrophobicContact CE2-CE2 4.08Å; F77-F98 HydrophobicContact CZ-CD2 4.13Å; F77-F98 HydrophobicContact CZ-CE2 4.49Å; F77-L101 HydrophobicContact CE1-CD1 3.71Å; F77-V110 HydrophobicContact CE2-CG1 4.36Å; F77-V110 HydrophobicContact CZ-CG1 3.73Å
78	Y	97	Very high	92.3	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.9	-179.6	-56.8	-89.7	0	0	0	111.2	V16 L17 L19 I48 T52 V67 V68 Y69 F76	V16-Y78 WeakPolarHBondContact CA-O 3.47Å; L17-Y78 HydrophobicContact CB-CD2 4.29Å; L17-Y78 PolarHBondContact N-O 3.41Å; L17-Y78 PolarHBondContact O-N 3.02Å; L19-Y78 HydrophobicContact CB-CE2 4.22Å; L19-Y78 HydrophobicContact CD1-CD2 4.36Å; L19-Y78 HydrophobicContact CD1-CE2 3.73Å; L19-Y78 HydrophobicContact CG-CD2 4.23Å; L19-Y78 HydrophobicContact CG-CE2 3.85Å; I48-Y78 HydrophobicContact CG2-CD1 3.46Å; I48-Y78 VanDerWaalsContact CG2-CD1 3.46Å; I48-Y78 HydrophobicContact CG2-CE1 3.2Å; I48-Y78 HydrophobicContact CG2-CE2 4.37Å; I48-Y78 HydrophobicContact CG2-CG 4.18Å; T52-Y78 HydrophobicContact CG2-CE1 4.06Å; T52-Y78 WeakPolarHBondContact OG1-CE1 3.45Å; T52-Y78 PolarHBondContact OG1-OH 3.24Å; V67-Y78 HydrophobicContact CG1-CD1 3.92Å; V68-Y78 WeakPolarHBondContact O-CA 3.45Å; Y69-Y78 HydrophobicContact CD2-CE1 4.26Å; Y69-Y78 HydrophobicContact CG-CD1 4.17Å; Y69-Y78 AromaticContact CG-CE1 3.95Å; Y69-Y78 HydrophobicContact CG-CE1 3.95Å; F76-Y78 HydrophobicContact CB-CD2 4.37Å; F76-Y78 HydrophobicContact CB-CE2 3.4Å; F76-Y78 VanDerWaalsContact CB-CE2 3.4Å
79	V	97.4	Very high	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.3	165.9	-178.8	0	0	0	0	107.7	V13 V16 V68 L90 V93 L94	V13-V79 HydrophobicContact CG1-CG1 3.97Å; V13-V79 HydrophobicContact CG2-CG1 4.24Å; V16-V79 HydrophobicContact CG2-CG2 4.44Å; V68-V79 HydrophobicContact CG2-CB 3.7Å; V68-V79 HydrophobicContact CG2-CG1 4.48Å; V68-V79 WeakPolarHBondContact CG2-O 3.28Å; V68-V79 PolarHBondContact N-O 3.35Å; V68-V79 PolarHBondContact O-N 3.45Å; V79-L90 HydrophobicContact CG1-CB 4.3Å; V79-L90 HydrophobicContact CG1-CD2 4.07Å; V79-V93 HydrophobicContact CG1-CB 4.27Å; V79-V93 HydrophobicContact CG1-CG1 3.98Å; V79-V93 HydrophobicContact CG2-CB 4.47Å; V79-V93 HydrophobicContact CG2-CG1 3.94Å; V79-L94 HydrophobicContact CG2-CB 3.84Å; V79-L94 HydrophobicContact CG2-CD1 4.06Å
80	I	96.6	Very high	92.2	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.1	-174.4	-59	93.3	0	0	0	108.8	K14 A15 L17 F44 I48 L65 T66 V67	K14-I80 HydrophobicContact CB-CG2 4.49Å; K14-I80 PolarHBondContact N-O 3.12Å; A15-I80 HydrophobicContact CB-CB 4.27Å; A15-I80 HydrophobicContact CB-CD1 4.01Å; A15-I80 PolarHBondContact N-O 3Å; A15-I80 PolarHBondContact O-N 3.05Å; L17-I80 HydrophobicContact CD1-CD1 3.57Å; L17-I80 HydrophobicContact CG-CD1 3.72Å; F44-I80 HydrophobicContact CE1-CG1 4.26Å; F44-I80 HydrophobicContact CZ-CG1 4.29Å; F44-I80 HydrophobicContact CZ-CG2 4.25Å; I48-I80 HydrophobicContact CD1-CD1 4.37Å; I48-I80 HydrophobicContact CD1-CG1 4.12Å; L65-I80 HydrophobicContact CB-CG2 3.89Å; L65-I80 HydrophobicContact CD1-CG2 3.93Å; L65-I80 HydrophobicContact CG-CG2 4.39Å; T66-I80 WeakPolarHBondContact O-CA 3.48Å; V67-I80 HydrophobicContact CG1-CG1 4.27Å; V67-I80 HydrophobicContact CG2-CG1 4.01Å; V67-I80 HydrophobicContact CG2-CG2 4.33Å
81	G	95.1	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	179.7	173.2	0	0	0	0	0	112	T12 T66	T12-G81 WeakPolarHBondContact O-CA 3.42Å; T66-G81 PolarHBondContact N-O 3Å; T66-G81 PolarHBondContact O-N 3.45Å
82	S	91.9	Very high	92.6	Very high	29 Å²	29	43.4 Å²	43.4	20%	0.203	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	156.8	172.4	-166.8	0	0	0	0	111	T66 H84 E85	T66-S82 WeakPolarHBondContact CB-O 3.32Å; T66-S82 PolarHBondContact OG1-O 2.99Å; S82-H84 PolarHBondContact O-N 3.36Å; S82-H84 VanDerWaalsContact O-N 3.08Å; S82-E85 WeakPolarHBondContact O-CB 3.41Å; S82-E85 PolarHBondContact O-N 3.22Å
83	S	89.4	Confident	93	Very high	46 Å²	46	41.4 Å²	41.4	32%	0.322	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.7	174.6	49.2	0	0	0	0	114.4	G64 T66	G64-S83 WeakPolarHBondContact O-CB 3.33Å; G64-S83 PolarHBondContact O-N 3.07Å; G64-S83 PolarHBondContact O-OG 3.29Å; T66-S83 WeakPolarHBondContact OG1-CA 3.42Å
84	H	86.9	Confident	93.5	Very high	139 Å²	139	36.3 Å²	36.3	64%	0.644	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-3.8	-178.7	-57	-55.1	0	0	0	113.3	L6 S82	L6-H84 HydrophobicContact CD2-CB 4.32Å; S82-H84 PolarHBondContact O-N 3.36Å; S82-H84 VanDerWaalsContact O-N 3.08Å
85	E	87.9	Confident	93.8	Very high	37 Å²	37	36.9 Å²	36.9	17%	0.173	20%	0.196	C	C	.	.	S	Bend	trans	-71.7	152.1	179.4	-68.8	-54.9	149.5	0	0	111.9	T12 S82 E87 L90	T12-E85 HydrophobicContact CG2-CB 4.37Å; T12-E85 HydrophobicContact CG2-CG 4.15Å; T12-E85 WeakPolarHBondContact CG2-OE2 3.47Å; S82-E85 WeakPolarHBondContact O-CB 3.41Å; S82-E85 PolarHBondContact O-N 3.22Å; E85-E87 PolarHBondContact O-N 2.95Å; E85-L90 HydrophobicContact CB-CD1 4.44Å
86	N	90.5	Very high	94.1	Very high	82 Å²	82	37 Å²	37	44%	0.439	20%	0.197	S	C	.	.			trans	-71.3	114.3	173.2	-172.2	-24.2	0	0	0	110	L88 M89 L90	N86-L88 PolarHBondContact O-N 2.93Å; N86-L88 VanDerWaalsContact O-N 3.14Å; N86-L88 VanDerWaalsContact OD1-CB 3.26Å; N86-L88 WeakPolarHBondContact OD1-CB 3.39Å; N86-L88 PolarHBondContact OD1-N 2.85Å; N86-M89 HydrophobicContact CB-CG 4.07Å; N86-M89 HydrophobicContact CB-SD 4.09Å; N86-M89 WeakPolarHBondContact O-CB 3.18Å; N86-M89 PolarHBondContact O-N 2.91Å; N86-L90 PolarHBondContact O-N 3.22Å
87	E	91.6	Very high	94.1	Very high	90 Å²	90	36.4 Å²	36.4	42%	0.421	20%	0.195	S	C	.	.	H	α-helix	trans	-55.4	-32.3	178.9	-53.9	178	179.8	0	0	112.5	I59 T66 E85 M89 L90 M91	I59-E87 HydrophobicContact CD1-CB 4.11Å; I59-E87 VanDerWaalsContact CD1-OE2 3.26Å; I59-E87 WeakPolarHBondContact CD1-OE2 3.49Å; I59-E87 HydrophobicContact CG2-CG 4.33Å; T66-E87 HydrophobicContact CG2-CG 3.77Å; E85-E87 PolarHBondContact O-N 2.95Å; E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 2.79Å; E87-L90 PolarHBondContact O-N 2.99Å; E87-M91 WeakPolarHBondContact O-CB 3.4Å; E87-M91 WeakPolarHBondContact O-CG 3.49Å; E87-M91 PolarHBondContact O-N 2.84Å
88	L	92.8	Very high	94.1	Very high	131 Å²	131	37.2 Å²	37.2	69%	0.686	20%	0.198	S	C	*	.	H	α-helix	trans	-65.5	-33.2	177.7	-61.9	175.4	0	0	0	112.3	N86 A92	N86-L88 PolarHBondContact O-N 2.93Å; N86-L88 VanDerWaalsContact O-N 3.14Å; N86-L88 VanDerWaalsContact OD1-CB 3.26Å; N86-L88 WeakPolarHBondContact OD1-CB 3.39Å; N86-L88 PolarHBondContact OD1-N 2.85Å; L88-A92 WeakPolarHBondContact O-CB 3.49Å; L88-A92 PolarHBondContact O-N 2.76Å
89	M	93.9	Very high	93.9	Very high	78 Å²	78	40.2 Å²	40.2	38%	0.384	21%	0.214	S	C	.	.	H	α-helix	trans	-69.8	-42.3	175.7	-66.7	178.7	62.4	0	0	110.6	T12 N86 E87 A92 V93 I135	T12-M89 HydrophobicContact CG2-CB 4.25Å; T12-M89 HydrophobicContact CG2-CE 4.17Å; N86-M89 HydrophobicContact CB-CG 4.07Å; N86-M89 HydrophobicContact CB-SD 4.09Å; N86-M89 WeakPolarHBondContact O-CB 3.18Å; N86-M89 PolarHBondContact O-N 2.91Å; E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 2.79Å; M89-A92 WeakPolarHBondContact O-CB 3.31Å; M89-A92 PolarHBondContact O-N 2.8Å; M89-V93 WeakPolarHBondContact O-CG2 3.26Å; M89-V93 PolarHBondContact O-N 3.27Å; M89-V93 VanDerWaalsContact O-N 3.14Å; M89-I135 HydrophobicContact CB-CD1 4.16Å; M89-I135 HydrophobicContact CE-CD1 4.05Å
90	L	95.6	Very high	93.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-40.9	175.3	-56.9	177.7	0	0	0	111.3	T12 V13 T66 V68 V79 E85 N86 E87 A92 V93 L94	T12-L90 HydrophobicContact CG2-CD2 3.89Å; V13-L90 HydrophobicContact CG2-CD2 4.17Å; T66-L90 HydrophobicContact CG2-CD1 3.65Å; V68-L90 HydrophobicContact CB-CB 4.41Å; V68-L90 HydrophobicContact CG1-CB 3.86Å; V68-L90 HydrophobicContact CG1-CD1 4.42Å; V68-L90 HydrophobicContact CG2-CB 3.6Å; V79-L90 HydrophobicContact CG1-CB 4.3Å; V79-L90 HydrophobicContact CG1-CD2 4.07Å; E85-L90 HydrophobicContact CB-CD1 4.44Å; N86-L90 PolarHBondContact O-N 3.22Å; E87-L90 PolarHBondContact O-N 2.99Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 2.9Å; L90-V93 WeakPolarHBondContact O-CB 3.4Å; L90-V93 PolarHBondContact O-N 3.22Å; L90-L94 PolarHBondContact O-N 2.63Å
91	M	95.3	Very high	93.6	Very high	24 Å²	24	40.2 Å²	40.2	12%	0.118	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-37.2	174.3	-77.1	-62.8	-73.4	0	0	112.1	E58 I59 V68 E87 L94 N95	E58-M91 HydrophobicContact CB-CE 4.17Å; E58-M91 HydrophobicContact CB-SD 4.46Å; E58-M91 WeakPolarHBondContact OE2-CE 2.98Å; I59-M91 HydrophobicContact CD1-CG 4.47Å; I59-M91 HydrophobicContact CG1-SD 4.49Å; V68-M91 HydrophobicContact CB-CG 4.27Å; V68-M91 HydrophobicContact CB-SD 3.69Å; V68-M91 HydrophobicContact CG1-CG 4.01Å; V68-M91 HydrophobicContact CG1-SD 4.04Å; V68-M91 HydrophobicContact CG2-SD 4.28Å; E87-M91 WeakPolarHBondContact O-CB 3.4Å; E87-M91 WeakPolarHBondContact O-CG 3.49Å; E87-M91 PolarHBondContact O-N 2.84Å; M91-L94 PolarHBondContact O-N 3.01Å; M91-L94 HydrophobicContact SD-CD2 3.97Å; M91-N95 WeakPolarHBondContact O-CB 3.37Å; M91-N95 PolarHBondContact O-N 2.99Å; M91-N95 PolarHBondContact O-ND2 3.1Å
92	A	95.7	Very high	93.4	Very high	39 Å²	39	41.7 Å²	41.7	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-62	-43.7	174.9	0	0	0	0	0	111.3	L88 M89 L90 C96	L88-A92 WeakPolarHBondContact O-CB 3.49Å; L88-A92 PolarHBondContact O-N 2.76Å; M89-A92 WeakPolarHBondContact O-CB 3.31Å; M89-A92 PolarHBondContact O-N 2.8Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 2.9Å; A92-C96 WeakPolarHBondContact O-CB 3.47Å; A92-C96 PolarHBondContact O-N 2.87Å
93	V	97.2	Very high	93.4	Very high	2 Å²	2	44 Å²	44	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-46.4	174.4	174	0	0	0	0	111.2	V13 V79 M89 L90 C96 L97 I129 V130 I135	V13-V93 HydrophobicContact CG2-CG2 4.22Å; V79-V93 HydrophobicContact CG1-CB 4.27Å; V79-V93 HydrophobicContact CG1-CG1 3.98Å; V79-V93 HydrophobicContact CG2-CB 4.47Å; V79-V93 HydrophobicContact CG2-CG1 3.94Å; M89-V93 WeakPolarHBondContact O-CG2 3.26Å; M89-V93 PolarHBondContact O-N 3.27Å; M89-V93 VanDerWaalsContact O-N 3.14Å; L90-V93 WeakPolarHBondContact O-CB 3.4Å; L90-V93 PolarHBondContact O-N 3.22Å; V93-C96 PolarHBondContact O-N 2.99Å; V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 3.11Å; V93-I129 HydrophobicContact CB-CG2 4.46Å; V93-I129 HydrophobicContact CG1-CG2 3.83Å; V93-I129 HydrophobicContact CG2-CG2 4.48Å; V93-V130 HydrophobicContact CG1-CG2 3.87Å; V93-I135 HydrophobicContact CG2-CB 4.4Å; V93-I135 HydrophobicContact CG2-CD1 3.46Å; V93-I135 VanDerWaalsContact CG2-CD1 3.46Å; V93-I135 HydrophobicContact CG2-CG1 3.59Å; V93-I135 HydrophobicContact CG2-CG2 3.94Å
94	L	96.8	Very high	93.4	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-47.4	179.8	178.5	68.5	0	0	0	111.8	V68 K70 F77 V79 L90 M91 F98	V68-L94 HydrophobicContact CB-CD2 4.32Å; V68-L94 HydrophobicContact CG2-CB 4.16Å; V68-L94 HydrophobicContact CG2-CD2 4.09Å; K70-L94 HydrophobicContact CB-CD1 4.42Å; K70-L94 HydrophobicContact CB-CD2 3.96Å; K70-L94 HydrophobicContact CB-CG 4.37Å; F77-L94 HydrophobicContact CB-CD1 3.63Å; V79-L94 HydrophobicContact CG2-CB 3.84Å; V79-L94 HydrophobicContact CG2-CD1 4.06Å; L90-L94 PolarHBondContact O-N 2.63Å; M91-L94 PolarHBondContact O-N 3.01Å; M91-L94 HydrophobicContact SD-CD2 3.97Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 PolarHBondContact O-N 3.12Å
95	N	95.6	Very high	93.3	Very high	56 Å²	56	38.2 Å²	38.2	30%	0.299	20%	0.201	S	C	.	.	H	α-helix	trans	-67.3	-43.5	178.8	-73.1	-34.8	0	0	0	111.3	M91 L97 F98 D99	M91-N95 WeakPolarHBondContact O-CB 3.37Å; M91-N95 PolarHBondContact O-N 2.99Å; M91-N95 PolarHBondContact O-ND2 3.1Å; N95-L97 VanDerWaalsContact C-N 3.35Å; N95-L97 PolarHBondContact O-N 3.21Å; N95-F98 PolarHBondContact O-N 3.24Å; N95-D99 VanDerWaalsContact O-CB 3.29Å; N95-D99 WeakPolarHBondContact O-CB 3.27Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 2.83Å
96	C	97.3	Very high	92	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-50	175.5	-174.5	0	0	0	0	110.9	A92 V93 F98 D99 S100 S138	A92-C96 WeakPolarHBondContact O-CB 3.47Å; A92-C96 PolarHBondContact O-N 2.87Å; V93-C96 PolarHBondContact O-N 2.99Å; C96-F98 PolarHBondContact O-N 3.45Å; C96-D99 PolarHBondContact O-N 3.37Å; C96-S100 VanDerWaalsContact O-CB 3.28Å; C96-S100 WeakPolarHBondContact O-CB 3.44Å; C96-S100 PolarHBondContact O-N 2.88Å; C96-S100 PolarHBondContact O-OG 3.26Å; C96-S138 WeakPolarHBondContact CB-O 3.36Å; C96-S138 PolarHBondContact SG-O 3.1Å; C96-S138 VanDerWaalsContact SG-O 3.41Å
97	L	96.6	Very high	90.4	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-58.7	-50.7	177.1	177.9	62.2	0	0	0	112	V16 V93 N95 D99 S100 L101 L122 V126 I129	V16-L97 HydrophobicContact CG1-CD2 3.76Å; V93-L97 WeakPolarHBondContact O-CB 3.37Å; V93-L97 PolarHBondContact O-N 3.11Å; N95-L97 VanDerWaalsContact C-N 3.35Å; N95-L97 PolarHBondContact O-N 3.21Å; L97-D99 PolarHBondContact O-N 3.19Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-L101 HydrophobicContact CD1-CD1 3.87Å; L97-L101 HydrophobicContact CD1-CG 4.17Å; L97-L101 HydrophobicContact CG-CD1 4.02Å; L97-L101 WeakPolarHBondContact O-CB 3.25Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 3.25Å; L97-L122 HydrophobicContact CD1-CD1 4.07Å; L97-V126 HydrophobicContact CD1-CG2 3.68Å; L97-I129 HydrophobicContact CB-CD1 3.94Å; L97-I129 HydrophobicContact CD1-CD1 4.05Å
98	F	94.3	Very high	88.9	Confident	18 Å²	18	50.5 Å²	50.5	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-43.4	-177.9	179.3	-93	0	0	0	112.1	K70 N72 F77 L94 N95 C96 S102 V110	K70-F98 HydrophobicContact CD-CD1 4.4Å; K70-F98 HydrophobicContact CD-CD2 4.38Å; K70-F98 HydrophobicContact CD-CG 4.19Å; N72-F98 HydrophobicContact CB-CE2 3.71Å; N72-F98 HydrophobicContact CB-CZ 4.25Å; N72-F98 VanDerWaalsContact ND2-CZ 3.28Å; N72-F98 WeakPolarHBondContact ND2-CZ 3.49Å; F77-F98 HydrophobicContact CD2-CD2 4.08Å; F77-F98 AromaticContact CE2-CD2 3.86Å; F77-F98 HydrophobicContact CE2-CD2 3.86Å; F77-F98 HydrophobicContact CE2-CE2 4.08Å; F77-F98 HydrophobicContact CZ-CD2 4.13Å; F77-F98 HydrophobicContact CZ-CE2 4.49Å; L94-F98 WeakPolarHBondContact O-CB 3.42Å; L94-F98 PolarHBondContact O-N 3.12Å; N95-F98 PolarHBondContact O-N 3.24Å; C96-F98 PolarHBondContact O-N 3.45Å; F98-S102 WeakPolarHBondContact CE1-OG 3.45Å; F98-S102 WeakPolarHBondContact O-CB 3.17Å; F98-S102 PolarHBondContact O-N 3.41Å; F98-S102 PolarHBondContact O-OG 3.48Å; F98-V110 HydrophobicContact CE2-CB 4.39Å; F98-V110 HydrophobicContact CE2-CG1 4.37Å
99	D	94.6	Very high	87.9	Confident	63 Å²	63	49.7 Å²	49.7	34%	0.337	25%	0.25	S	C	.	.	H	α-helix	trans	-73	-37.1	-178.3	-69.9	-18	0	0	0	111.5	N95 C96 L97 S102 Q103 P140	N95-D99 VanDerWaalsContact O-CB 3.29Å; N95-D99 WeakPolarHBondContact O-CB 3.27Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 2.83Å; C96-D99 PolarHBondContact O-N 3.37Å; L97-D99 PolarHBondContact O-N 3.19Å; D99-S102 WeakPolarHBondContact O-CB 3.49Å; D99-S102 PolarHBondContact O-N 2.93Å; D99-Q103 VanDerWaalsContact O-CG 3.31Å; D99-Q103 WeakPolarHBondContact O-CG 3.34Å; D99-Q103 PolarHBondContact O-N 3.4Å; D99-P140 HydrophobicContact CB-CB 3.73Å; D99-P140 HydrophobicContact CB-CG 3.81Å
100	S	94.6	Very high	87.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-48	172.3	-68.4	0	0	0	0	111.4	C96 L97 S102 Q103 M104 P140 V143	C96-S100 VanDerWaalsContact O-CB 3.28Å; C96-S100 WeakPolarHBondContact O-CB 3.44Å; C96-S100 PolarHBondContact O-N 2.88Å; C96-S100 PolarHBondContact O-OG 3.26Å; L97-S100 PolarHBondContact O-N 3.49Å; S100-S102 VanDerWaalsContact C-N 3.32Å; S100-S102 PolarHBondContact O-N 3.14Å; S100-Q103 PolarHBondContact O-N 3.09Å; S100-M104 WeakPolarHBondContact O-CB 3.12Å; S100-M104 WeakPolarHBondContact O-CG 3.29Å; S100-M104 PolarHBondContact O-N 3.42Å; S100-P140 WeakPolarHBondContact OG-CA 3.42Å; S100-P140 VanDerWaalsContact OG-CB 3.31Å; S100-P140 WeakPolarHBondContact OG-CB 3.26Å; S100-P140 PolarHBondContact OG-O 3.14Å; S100-V143 WeakPolarHBondContact OG-CB 3.28Å
101	L	92.9	Very high	87	Confident	2 Å²	2	49 Å²	49	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-41.1	175.7	-69	172.3	0	0	0	111.5	I18 F77 L97 Q103 M104 L105 L115 L122	I18-L101 HydrophobicContact CD1-CD1 4.36Å; F77-L101 HydrophobicContact CE1-CD1 3.71Å; L97-L101 HydrophobicContact CD1-CD1 3.87Å; L97-L101 HydrophobicContact CD1-CG 4.17Å; L97-L101 HydrophobicContact CG-CD1 4.02Å; L97-L101 WeakPolarHBondContact O-CB 3.25Å; L97-L101 VanDerWaalsContact O-CG 3.25Å; L97-L101 WeakPolarHBondContact O-CG 3.36Å; L97-L101 PolarHBondContact O-N 3.25Å; L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 2.97Å; L101-M104 PolarHBondContact O-N 3.1Å; L101-L105 HydrophobicContact CB-CD1 4.39Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.31Å; L101-L115 HydrophobicContact CD1-CD1 4.07Å; L101-L115 HydrophobicContact CD2-CD1 4.03Å; L101-L122 HydrophobicContact CD1-CD1 3.84Å; L101-L122 HydrophobicContact CD2-CB 4.02Å; L101-L122 HydrophobicContact CD2-CD1 3.92Å; L101-L122 HydrophobicContact CG-CD1 4.41Å
102	S	91.2	Very high	86.8	Confident	31 Å²	31	52.6 Å²	52.6	22%	0.217	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-45	175.4	-63.5	0	0	0	0	111.8	F98 D99 S100 S106 V110	F98-S102 WeakPolarHBondContact CE1-OG 3.45Å; F98-S102 WeakPolarHBondContact O-CB 3.17Å; F98-S102 PolarHBondContact O-N 3.41Å; F98-S102 PolarHBondContact O-OG 3.48Å; D99-S102 WeakPolarHBondContact O-CB 3.49Å; D99-S102 PolarHBondContact O-N 2.93Å; S100-S102 VanDerWaalsContact C-N 3.32Å; S100-S102 PolarHBondContact O-N 3.14Å; S102-S106 PolarHBondContact O-N 3.35Å; S102-S106 PolarHBondContact O-OG 3.42Å; S102-V110 WeakPolarHBondContact OG-CG2 3.36Å
103	Q	91.3	Very high	86.5	Confident	78 Å²	78	57.4 Å²	57.4	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-43.1	177.5	-72.6	175.2	50.3	0	0	112.2	D99 S100 L101 L105 S106 V144	D99-Q103 VanDerWaalsContact O-CG 3.31Å; D99-Q103 WeakPolarHBondContact O-CG 3.34Å; D99-Q103 PolarHBondContact O-N 3.4Å; S100-Q103 PolarHBondContact O-N 3.09Å; L101-Q103 VanDerWaalsContact C-N 3.32Å; L101-Q103 PolarHBondContact O-N 2.97Å; Q103-L105 PolarHBondContact O-N 2.99Å; Q103-S106 WeakPolarHBondContact CA-OG 3.13Å; Q103-S106 VanDerWaalsContact O-CB 3.23Å; Q103-S106 WeakPolarHBondContact O-CB 3.26Å; Q103-S106 PolarHBondContact O-N 2.94Å; Q103-S106 PolarHBondContact O-OG 2.93Å; Q103-V144 HydrophobicContact CB-CG2 3.96Å
104	M	89.1	Confident	86.2	Confident	45 Å²	45	57.9 Å²	57.9	22%	0.222	27%	0.272	C	S	.	.	H	α-helix	trans	-69.5	-33.1	-179.7	-68	165.7	62.2	0	0	112.8	S100 L101 G121 A125 V144 V147	S100-M104 WeakPolarHBondContact O-CB 3.12Å; S100-M104 WeakPolarHBondContact O-CG 3.29Å; S100-M104 PolarHBondContact O-N 3.42Å; L101-M104 PolarHBondContact O-N 3.1Å; M104-G121 VanDerWaalsContact CE-C 3.46Å; M104-G121 WeakPolarHBondContact CE-O 3.44Å; M104-A125 HydrophobicContact SD-CB 4.25Å; M104-V144 HydrophobicContact CG-CG1 4.09Å; M104-V144 HydrophobicContact CG-CG2 3.91Å; M104-V144 HydrophobicContact SD-CG2 4.19Å; M104-V147 HydrophobicContact CE-CB 4.46Å; M104-V147 HydrophobicContact CE-CG1 3.61Å; M104-V147 HydrophobicContact SD-CG1 4.34Å
105	L	84.6	Confident	85.9	Confident	19 Å²	19	57.8 Å²	57.8	10%	0.099	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	9	-178.6	-59.5	175.4	0	0	0	113.1	L101 Q103 R107 V110 A114 L115 N118	L101-L105 HydrophobicContact CB-CD1 4.39Å; L101-L105 WeakPolarHBondContact O-CB 3.4Å; L101-L105 WeakPolarHBondContact O-CG 3.39Å; L101-L105 PolarHBondContact O-N 3.31Å; Q103-L105 PolarHBondContact O-N 2.99Å; L105-R107 PolarHBondContact O-N 2.84Å; L105-V110 HydrophobicContact CD1-CG1 4.18Å; L105-V110 HydrophobicContact CD1-CG2 4.32Å; L105-A114 HydrophobicContact CD1-CB 4.45Å; L105-A114 HydrophobicContact CD2-CB 4.48Å; L105-A114 WeakPolarHBondContact CD2-O 3.29Å; L105-L115 HydrophobicContact CD1-CD1 4.22Å; L105-N118 HydrophobicContact CD2-CB 3.69Å
106	S	61.3	Low	85.7	Confident	88 Å²	88	58.9 Å²	58.9	62%	0.615	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	50.2	-169	-81	0	0	0	0	116.8	S102 Q103	S102-S106 PolarHBondContact O-N 3.35Å; S102-S106 PolarHBondContact O-OG 3.42Å; Q103-S106 WeakPolarHBondContact CA-OG 3.13Å; Q103-S106 VanDerWaalsContact O-CB 3.23Å; Q103-S106 WeakPolarHBondContact O-CB 3.26Å; Q103-S106 PolarHBondContact O-N 2.94Å; Q103-S106 PolarHBondContact O-OG 2.93Å
107	R	56.9	Low	85.3	Confident	240 Å²	240	65.1 Å²	65.1	91%	0.906	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-17.1	157.4	-68.6	-167.6	174.9	-175.2	0.9	115	L105	L105-R107 PolarHBondContact O-N 2.84Å
108	K	60	Low	85	Confident	138 Å²	138	67.5 Å²	67.5	60%	0.6	32%	0.319	S	S	*	.	S	Bend	trans	-149.8	13.4	-170.5	-71	-164.6	177.8	179.8	0	120.7
109	N	72.2	Confident	84.8	Confident	114 Å²	114	68.6 Å²	68.6	61%	0.61	33%	0.325	S	S	*	.			trans	86.2	152.4	-168.9	-50.9	-42.4	0	0	0	113	I73 E111	I73-N109 HydrophobicContact CD1-CB 3.76Å; N109-E111 VanDerWaalsContact C-N 3.32Å; N109-E111 PolarHBondContact O-N 3.27Å; N109-E111 VanDerWaalsContact O-N 3.08Å
110	V	82.1	Confident	84.7	Confident	8 Å²	8	73 Å²	73	5%	0.048	34%	0.343	C	S	.	.	S	Bend	trans	-81.1	82.9	174	-175.1	0	0	0	0	108.3	N72 L75 F77 F98 S102 L105	N72-V110 PolarHBondContact OD1-O 3.46Å; L75-V110 HydrophobicContact CD1-CG1 4.04Å; F77-V110 HydrophobicContact CE2-CG1 4.36Å; F77-V110 HydrophobicContact CZ-CG1 3.73Å; F98-V110 HydrophobicContact CE2-CB 4.39Å; F98-V110 HydrophobicContact CE2-CG1 4.37Å; S102-V110 WeakPolarHBondContact OG-CG2 3.36Å; L105-V110 HydrophobicContact CD1-CG1 4.18Å; L105-V110 HydrophobicContact CD1-CG2 4.32Å
111	E	88.3	Confident	84.6	Confident	55 Å²	55	73.2 Å²	73.2	26%	0.257	35%	0.346	S	S	.	.			trans	-115.8	161.5	175.4	65.2	-179.6	-174	0	0	110.6	I73 D74 N109 R113 A114 L115	I73-E111 HydrophobicContact CD1-CB 4.45Å; D74-E111 WeakPolarHBondContact OD1-CA 3.35Å; N109-E111 VanDerWaalsContact C-N 3.32Å; N109-E111 PolarHBondContact O-N 3.27Å; N109-E111 VanDerWaalsContact O-N 3.08Å; E111-R113 HydrophobicContact CG-CB 4.46Å; E111-R113 PolarHBondContact O-N 3.37Å; E111-R113 VanDerWaalsContact O-N 3.08Å; E111-A114 HydrophobicContact CG-CB 4.12Å; E111-A114 PolarHBondContact O-N 3.03Å; E111-L115 PolarHBondContact O-N 3.02Å
112	R	90.6	Very high	84.7	Confident	100 Å²	100	73.1 Å²	73.1	38%	0.377	35%	0.345	S	S	.	.	H	α-helix	trans	-48.1	-42.1	-178.3	-178.5	179.2	-176.4	-76.3	-0.1	113.2	D20 L26 D74 L75 L116	D20-R112 IonicContact OD2-NE 3.91Å; D20-R112 PolarHBondContact OD2-NE 2.92Å; D20-R112 IonicContact OD2-NH2 3.3Å; L26-R112 HydrophobicContact CD1-CG 4.04Å; L26-R112 HydrophobicContact CD2-CG 4.3Å; D74-R112 PolarHBondContact OD1-N 3Å; D74-R112 WeakPolarHBondContact OD2-CB 3.15Å; D74-R112 PolarHBondContact OD2-N 3.43Å; L75-R112 HydrophobicContact CD2-CB 4.02Å; L75-R112 HydrophobicContact CG-CB 4.47Å; R112-L116 HydrophobicContact CG-CD1 4.08Å; R112-L116 WeakPolarHBondContact O-CB 3.36Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.42Å; R112-L116 PolarHBondContact O-N 2.82Å
113	R	89.8	Confident	84.9	Confident	140 Å²	140	76.1 Å²	76.1	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-47.4	-179.4	-159.4	-174.7	96.3	-177.7	5	112.2	E111 L115 L116 E117	E111-R113 HydrophobicContact CG-CB 4.46Å; E111-R113 PolarHBondContact O-N 3.37Å; E111-R113 VanDerWaalsContact O-N 3.08Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 PolarHBondContact O-N 3.32Å; R113-L116 PolarHBondContact O-N 3.47Å; R113-E117 IonicContact CZ-OE1 3.45Å; R113-E117 IonicContact NE-OE1 3.58Å; R113-E117 PolarHBondContact NE-OE1 3.45Å; R113-E117 IonicContact NH2-OE1 3.65Å; R113-E117 PolarHBondContact NH2-OE1 3.03Å; R113-E117 WeakPolarHBondContact O-CG 3.5Å; R113-E117 PolarHBondContact O-N 2.95Å
114	A	89.4	Confident	85.1	Confident	12 Å²	12	74.5 Å²	74.5	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-39.3	179.4	0	0	0	0	0	111.6	L105 E111 E117 N118	L105-A114 HydrophobicContact CD1-CB 4.45Å; L105-A114 HydrophobicContact CD2-CB 4.48Å; L105-A114 WeakPolarHBondContact CD2-O 3.29Å; E111-A114 HydrophobicContact CG-CB 4.12Å; E111-A114 PolarHBondContact O-N 3.03Å; A114-E117 PolarHBondContact O-N 2.83Å; A114-N118 PolarHBondContact O-N 3.08Å
115	L	91.1	Very high	85.5	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-44.4	176.4	-168.6	69.8	0	0	0	111.6	I18 L26 L75 L101 L105 E111 R113 E117 N118 M119 L122	I18-L115 HydrophobicContact CD1-CD2 4.15Å; I18-L115 HydrophobicContact CG2-CD2 3.88Å; L26-L115 HydrophobicContact CD1-CD2 4.42Å; L75-L115 HydrophobicContact CD1-CB 4.25Å; L75-L115 HydrophobicContact CD1-CD2 4.04Å; L75-L115 HydrophobicContact CD2-CD2 4.32Å; L101-L115 HydrophobicContact CD1-CD1 4.07Å; L101-L115 HydrophobicContact CD2-CD1 4.03Å; L105-L115 HydrophobicContact CD1-CD1 4.22Å; E111-L115 PolarHBondContact O-N 3.02Å; R113-L115 VanDerWaalsContact C-N 3.32Å; R113-L115 PolarHBondContact O-N 3.32Å; L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 2.89Å; L115-N118 CarbonylContact O-C 3.52Å; L115-N118 PolarHBondContact O-N 3.45Å; L115-N118 VanDerWaalsContact O-N 3.1Å; L115-M119 HydrophobicContact CG-SD 4.5Å; L115-M119 PolarHBondContact O-N 2.87Å; L115-L122 HydrophobicContact CD1-CB 4.38Å; L115-L122 HydrophobicContact CD1-CD2 4.25Å; L115-L122 HydrophobicContact CD2-CD2 4.45Å; L115-L122 HydrophobicContact CG-CD2 4.43Å
116	L	90.8	Very high	86.1	Confident	78 Å²	78	71.6 Å²	71.6	41%	0.408	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-32.6	177.1	-73.2	174.2	0	0	0	113	L26 R112 R113 N118 M119	L26-L116 HydrophobicContact CD2-CD2 4.27Å; R112-L116 HydrophobicContact CG-CD1 4.08Å; R112-L116 WeakPolarHBondContact O-CB 3.36Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.42Å; R112-L116 PolarHBondContact O-N 2.82Å; R113-L116 PolarHBondContact O-N 3.47Å; L116-N118 PolarHBondContact O-N 2.88Å; L116-M119 HydrophobicContact CD2-CG 4.48Å; L116-M119 HydrophobicContact CD2-SD 4.29Å
117	E	90.2	Very high	87.7	Confident	134 Å²	134	70.8 Å²	70.8	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-67.7	-22.1	174	-74.2	172.8	-162.6	0	0	112.3	R113 A114 L115	R113-E117 IonicContact CZ-OE1 3.45Å; R113-E117 IonicContact NE-OE1 3.58Å; R113-E117 PolarHBondContact NE-OE1 3.45Å; R113-E117 IonicContact NH2-OE1 3.65Å; R113-E117 PolarHBondContact NH2-OE1 3.03Å; R113-E117 WeakPolarHBondContact O-CG 3.5Å; R113-E117 PolarHBondContact O-N 2.95Å; A114-E117 PolarHBondContact O-N 2.83Å; L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 2.89Å
118	N	89.1	Confident	89.6	Confident	54 Å²	54	59.8 Å²	59.8	29%	0.289	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	55.5	-179.2	-170.4	13.1	0	0	0	113	L105 A114 L115 L116 E120 G121 L122	L105-N118 HydrophobicContact CD2-CB 3.69Å; A114-N118 PolarHBondContact O-N 3.08Å; L115-N118 CarbonylContact O-C 3.52Å; L115-N118 PolarHBondContact O-N 3.45Å; L115-N118 VanDerWaalsContact O-N 3.1Å; L116-N118 PolarHBondContact O-N 2.88Å; N118-E120 VanDerWaalsContact C-N 3.33Å; N118-G121 WeakPolarHBondContact OD1-CA 3.41Å; N118-G121 PolarHBondContact OD1-N 2.8Å; N118-G121 VanDerWaalsContact OD1-N 3.09Å; N118-L122 PolarHBondContact O-N 3.5Å
119	M	91.8	Very high	91.3	Very high	40 Å²	40	53.3 Å²	53.3	20%	0.197	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-31.9	176	-73.1	-66.2	-65.2	0	0	112.8	L115 L116 G121 L122 F123	L115-M119 HydrophobicContact CG-SD 4.5Å; L115-M119 PolarHBondContact O-N 2.87Å; L116-M119 HydrophobicContact CD2-CG 4.48Å; L116-M119 HydrophobicContact CD2-SD 4.29Å; M119-G121 VanDerWaalsContact C-N 3.34Å; M119-G121 PolarHBondContact O-N 3.02Å; M119-L122 HydrophobicContact CE-CD2 3.96Å; M119-L122 WeakPolarHBondContact O-CB 3.32Å; M119-L122 PolarHBondContact O-N 3.31Å; M119-L122 HydrophobicContact SD-CD2 3.97Å; M119-F123 HydrophobicContact CB-CE2 4.08Å; M119-F123 HydrophobicContact CE-CE1 4.35Å; M119-F123 HydrophobicContact CE-CE2 4.34Å; M119-F123 HydrophobicContact CE-CZ 3.82Å; M119-F123 WeakPolarHBondContact O-CD2 3.31Å; M119-F123 WeakPolarHBondContact O-CG 3.28Å; M119-F123 PolarHBondContact O-N 3.33Å
120	E	92	Very high	92.5	Very high	156 Å²	156	47.9 Å²	47.9	73%	0.729	22%	0.224	S	C	*	.	H	α-helix	trans	-61.6	-44.2	177.1	-67.5	-177.5	175.2	0	0	111.4	N118 L122 F123 L124	N118-E120 VanDerWaalsContact C-N 3.33Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.82Å; E120-F123 PolarHBondContact O-N 2.84Å; E120-L124 WeakPolarHBondContact O-CG 3.19Å; E120-L124 PolarHBondContact O-N 3.2Å
121	G	92.6	Very high	93.1	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-42	173.3	0	0	0	0	0	112.7	M104 N118 M119 L124 A125	M104-G121 VanDerWaalsContact CE-C 3.46Å; M104-G121 WeakPolarHBondContact CE-O 3.44Å; N118-G121 WeakPolarHBondContact OD1-CA 3.41Å; N118-G121 PolarHBondContact OD1-N 2.8Å; N118-G121 VanDerWaalsContact OD1-N 3.09Å; M119-G121 VanDerWaalsContact C-N 3.34Å; M119-G121 PolarHBondContact O-N 3.02Å; G121-L124 PolarHBondContact O-N 3.5Å; G121-A125 VanDerWaalsContact O-CB 3.27Å; G121-A125 WeakPolarHBondContact O-CB 3.21Å; G121-A125 PolarHBondContact O-N 3.31Å
122	L	95.1	Very high	93.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-47.8	174.7	168.5	66.7	0	0	0	111.9	I18 Y27 L97 L101 L115 N118 M119 E120 A125 V126	I18-L122 HydrophobicContact CD1-CD1 3.55Å; I18-L122 HydrophobicContact CD1-CD2 3.89Å; I18-L122 HydrophobicContact CD1-CG 4.4Å; Y27-L122 HydrophobicContact CD1-CD2 4.42Å; Y27-L122 HydrophobicContact CD2-CD2 4.03Å; Y27-L122 HydrophobicContact CG-CD2 3.82Å; Y27-L122 HydrophobicContact CG-CG 4.47Å; L97-L122 HydrophobicContact CD1-CD1 4.07Å; L101-L122 HydrophobicContact CD1-CD1 3.84Å; L101-L122 HydrophobicContact CD2-CB 4.02Å; L101-L122 HydrophobicContact CD2-CD1 3.92Å; L101-L122 HydrophobicContact CG-CD1 4.41Å; L115-L122 HydrophobicContact CD1-CB 4.38Å; L115-L122 HydrophobicContact CD1-CD2 4.25Å; L115-L122 HydrophobicContact CD2-CD2 4.45Å; L115-L122 HydrophobicContact CG-CD2 4.43Å; N118-L122 PolarHBondContact O-N 3.5Å; M119-L122 HydrophobicContact CE-CD2 3.96Å; M119-L122 WeakPolarHBondContact O-CB 3.32Å; M119-L122 PolarHBondContact O-N 3.31Å; M119-L122 HydrophobicContact SD-CD2 3.97Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 2.82Å; L122-A125 PolarHBondContact O-N 3.26Å; L122-V126 HydrophobicContact CD1-CG2 3.95Å; L122-V126 WeakPolarHBondContact O-CG2 3.2Å; L122-V126 PolarHBondContact O-N 3.22Å
123	F	95.1	Very high	93.5	Very high	94 Å²	94	46.8 Å²	46.8	41%	0.412	24%	0.236	S	C	.	.	H	α-helix	trans	-60.2	-48.1	179.6	-65.3	-52	0	0	0	111.5	Y27 M119 E120 A125 V126 D127	Y27-F123 HydrophobicContact CD2-CD1 4Å; Y27-F123 AromaticContact CD2-CE1 3.56Å; Y27-F123 HydrophobicContact CD2-CE1 3.56Å; Y27-F123 AromaticContact CE2-CD1 3.48Å; Y27-F123 HydrophobicContact CE2-CD1 3.48Å; Y27-F123 VanDerWaalsContact CE2-CD1 3.48Å; Y27-F123 AromaticContact CE2-CE1 3.42Å; Y27-F123 HydrophobicContact CE2-CE1 3.42Å; Y27-F123 VanDerWaalsContact CE2-CE1 3.42Å; M119-F123 HydrophobicContact CB-CE2 4.08Å; M119-F123 HydrophobicContact CE-CE1 4.35Å; M119-F123 HydrophobicContact CE-CE2 4.34Å; M119-F123 HydrophobicContact CE-CZ 3.82Å; M119-F123 WeakPolarHBondContact O-CD2 3.31Å; M119-F123 WeakPolarHBondContact O-CG 3.28Å; M119-F123 PolarHBondContact O-N 3.33Å; E120-F123 PolarHBondContact O-N 2.84Å; F123-A125 PolarHBondContact O-N 2.94Å; F123-V126 PolarHBondContact O-N 3.4Å; F123-D127 PolarHBondContact O-N 3.13Å
124	L	95.2	Very high	93.7	Very high	44 Å²	44	42 Å²	42	23%	0.23	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-39.9	179	-67.4	174.4	0	0	0	112.2	E120 G121 D127 E128 V147 R150	E120-L124 WeakPolarHBondContact O-CG 3.19Å; E120-L124 PolarHBondContact O-N 3.2Å; G121-L124 PolarHBondContact O-N 3.5Å; L124-D127 PolarHBondContact O-N 2.98Å; L124-E128 PolarHBondContact O-N 2.87Å; L124-E128 VanDerWaalsContact O-N 3.1Å; L124-V147 HydrophobicContact CB-CB 4.36Å; L124-V147 HydrophobicContact CB-CG1 3.78Å; L124-V147 HydrophobicContact CB-CG2 3.88Å; L124-V147 HydrophobicContact CD1-CG1 4Å; L124-R150 HydrophobicContact CD1-CB 4.26Å; L124-R150 HydrophobicContact CD2-CB 4.41Å
125	A	96.4	Very high	94	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-45.7	177.5	0	0	0	0	0	111.2	M104 G121 L122 F123 D127 E128 I129 V143 V147	M104-A125 HydrophobicContact SD-CB 4.25Å; G121-A125 VanDerWaalsContact O-CB 3.27Å; G121-A125 WeakPolarHBondContact O-CB 3.21Å; G121-A125 PolarHBondContact O-N 3.31Å; L122-A125 PolarHBondContact O-N 3.26Å; F123-A125 PolarHBondContact O-N 2.94Å; A125-D127 VanDerWaalsContact C-N 3.31Å; A125-D127 PolarHBondContact O-N 3.02Å; A125-E128 PolarHBondContact O-N 3.33Å; A125-I129 WeakPolarHBondContact O-CD1 3.37Å; A125-I129 WeakPolarHBondContact O-CG1 3.45Å; A125-I129 PolarHBondContact O-N 3.47Å; A125-I129 VanDerWaalsContact O-N 3.1Å; A125-V143 HydrophobicContact CB-CG1 3.9Å; A125-V147 HydrophobicContact CB-CG2 4.22Å
126	V	97.3	Very high	94.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-38.6	178.2	176.2	0	0	0	0	111.4	Y27 K29 Y31 L97 L122 F123 E128 I129 V130	Y27-V126 HydrophobicContact CE1-CG1 4.31Å; Y27-V126 HydrophobicContact CE1-CG2 3.87Å; Y27-V126 VanDerWaalsContact OH-CG1 3.27Å; Y27-V126 WeakPolarHBondContact OH-CG1 3.38Å; K29-V126 HydrophobicContact CD-CG1 4.22Å; Y31-V126 WeakPolarHBondContact OH-CG1 3.4Å; L97-V126 HydrophobicContact CD1-CG2 3.68Å; L122-V126 HydrophobicContact CD1-CG2 3.95Å; L122-V126 WeakPolarHBondContact O-CG2 3.2Å; L122-V126 PolarHBondContact O-N 3.22Å; F123-V126 PolarHBondContact O-N 3.4Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 3.39Å; V126-I129 PolarHBondContact O-N 3.17Å; V126-V130 PolarHBondContact O-N 3.21Å
127	D	95.5	Very high	94.5	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.374	24%	0.239	S	C	.	.	H	α-helix	trans	-66.6	-29.4	177.4	-73.3	-10.3	0	0	0	113.3	K29 F123 L124 A125	K29-D127 IonicContact NZ-OD1 2.63Å; K29-D127 PolarHBondContact NZ-OD1 3.48Å; F123-D127 PolarHBondContact O-N 3.13Å; L124-D127 PolarHBondContact O-N 2.98Å; A125-D127 VanDerWaalsContact C-N 3.31Å; A125-D127 PolarHBondContact O-N 3.02Å
128	E	96.2	Very high	94.8	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-78.1	-26.7	172.7	-72.2	-68.2	166.5	0	0	112.9	L124 A125 V126 L136 E137 V143 R146 V147 R150	L124-E128 PolarHBondContact O-N 2.87Å; L124-E128 VanDerWaalsContact O-N 3.1Å; A125-E128 PolarHBondContact O-N 3.33Å; V126-E128 VanDerWaalsContact C-N 3.31Å; V126-E128 PolarHBondContact O-N 3.39Å; E128-L136 WeakPolarHBondContact O-CB 3.29Å; E128-E137 WeakPolarHBondContact O-CB 3.44Å; E128-V143 HydrophobicContact CB-CG1 4.13Å; E128-V143 HydrophobicContact CB-CG2 4.41Å; E128-R146 HydrophobicContact CG-CB 4.07Å; E128-R146 WeakPolarHBondContact OE2-CD 3.14Å; E128-R146 IonicContact OE2-CZ 3.12Å; E128-R146 IonicContact OE2-NE 2.89Å; E128-R146 IonicContact OE2-NH1 3.89Å; E128-R146 PolarHBondContact OE2-NH1 3.22Å; E128-R146 VanDerWaalsContact OE2-NH1 3.12Å; E128-V147 HydrophobicContact CG-CG2 4.37Å; E128-R150 IonicContact OE1-CZ 2.91Å; E128-R150 IonicContact OE1-NE 2.68Å; E128-R150 PolarHBondContact OE1-NE 3.24Å; E128-R150 IonicContact OE1-NH1 2.93Å; E128-R150 IonicContact OE1-NH2 2.85Å; E128-R150 PolarHBondContact OE1-NH2 2.99Å
129	I	97.4	Very high	95.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-85.5	-45.3	-178.1	-62.3	163.3	0	0	0	111.1	V93 L97 A125 V126 L136 E137 V143	V93-I129 HydrophobicContact CB-CG2 4.46Å; V93-I129 HydrophobicContact CG1-CG2 3.83Å; V93-I129 HydrophobicContact CG2-CG2 4.48Å; L97-I129 HydrophobicContact CB-CD1 3.94Å; L97-I129 HydrophobicContact CD1-CD1 4.05Å; A125-I129 WeakPolarHBondContact O-CD1 3.37Å; A125-I129 WeakPolarHBondContact O-CG1 3.45Å; A125-I129 PolarHBondContact O-N 3.47Å; A125-I129 VanDerWaalsContact O-N 3.1Å; V126-I129 PolarHBondContact O-N 3.17Å; I129-L136 PolarHBondContact O-N 2.92Å; I129-E137 PolarHBondContact O-N 3.44Å; I129-V143 HydrophobicContact CD1-CG1 4.28Å; I129-V143 HydrophobicContact CD1-CG2 4.38Å; I129-V143 HydrophobicContact CG1-CG1 4.11Å; I129-V143 HydrophobicContact CG1-CG2 3.61Å
130	V	97.3	Very high	95.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126	-173.9	-173.4	0	0	0	0	111.3	V13 Y31 V93 V126 V134	V13-V130 HydrophobicContact CB-CG1 4.05Å; V13-V130 HydrophobicContact CG1-CG1 4.37Å; V13-V130 HydrophobicContact CG2-CG1 4.42Å; V13-V130 HydrophobicContact CG2-CG2 4.24Å; Y31-V130 HydrophobicContact CD2-CG1 4.18Å; Y31-V130 HydrophobicContact CE1-CG1 4.05Å; Y31-V130 HydrophobicContact CE2-CB 4.23Å; Y31-V130 HydrophobicContact CE2-CG1 3.6Å; Y31-V130 PolarHBondContact OH-O 2.93Å; V93-V130 HydrophobicContact CG1-CG2 3.87Å; V126-V130 PolarHBondContact O-N 3.21Å; V130-V134 WeakPolarHBondContact CA-O 3.34Å
131	D	94.9	Very high	95.4	Very high	103 Å²	103	40.5 Å²	40.5	55%	0.551	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.9	171.9	-175.9	21	0	0	0	110.7	G133 V134 L136	D131-G133 PolarHBondContact O-N 3Å; D131-V134 PolarHBondContact N-O 2.85Å; D131-V134 WeakPolarHBondContact O-CA 3.19Å; D131-V134 WeakPolarHBondContact O-CB 3.44Å; D131-V134 PolarHBondContact O-N 3.49Å; D131-L136 HydrophobicContact CB-CD1 3.5Å; D131-L136 VanDerWaalsContact CB-CD1 3.5Å; D131-L136 HydrophobicContact CB-CD2 4.39Å; D131-L136 HydrophobicContact CB-CG 3.96Å
132	G	93.3	Very high	95.6	Very high	36 Å²	36	44.2 Å²	44.2	37%	0.371	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	25	-177.9	0	0	0	0	0	114.8	H11 V134	H11-G132 PolarHBondContact CD2-O 3.17Å; H11-G132 VanDerWaalsContact CD2-O 3.23Å; G132-V134 VanDerWaalsContact C-N 3.33Å
133	G	93	Very high	95.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	0.5	-175.4	0	0	0	0	0	114.9	H11 T12 V13 D131	H11-G133 CarbonylContact C-O 3.18Å; T12-G133 PolarHBondContact N-O 3.41Å; V13-G133 PolarHBondContact N-O 2.87Å; V13-G133 WeakPolarHBondContact O-CA 3.47Å; D131-G133 PolarHBondContact O-N 3Å
134	V	94.9	Very high	95.6	Very high	38 Å²	38	41.1 Å²	41.1	23%	0.23	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.9	172.3	-175.6	0	0	0	0	109.6	L10 V130 D131 G132 L136	L10-V134 HydrophobicContact CB-CG1 4.18Å; L10-V134 HydrophobicContact CB-CG2 3.98Å; L10-V134 WeakPolarHBondContact O-CA 3.13Å; V130-V134 WeakPolarHBondContact CA-O 3.34Å; D131-V134 PolarHBondContact N-O 2.85Å; D131-V134 WeakPolarHBondContact O-CA 3.19Å; D131-V134 WeakPolarHBondContact O-CB 3.44Å; D131-V134 PolarHBondContact O-N 3.49Å; G132-V134 VanDerWaalsContact C-N 3.33Å; V134-L136 PolarHBondContact O-N 3.29Å
135	I	95.6	Very high	95.4	Very high	43 Å²	43	43.4 Å²	43.4	22%	0.221	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	119.4	176.8	-55.8	170.5	0	0	0	108.7	T12 V13 M89 V93	T12-I135 HydrophobicContact CG2-CD1 3.92Å; V13-I135 HydrophobicContact CG2-CD1 4.3Å; V13-I135 HydrophobicContact CG2-CG1 3.93Å; M89-I135 HydrophobicContact CB-CD1 4.16Å; M89-I135 HydrophobicContact CE-CD1 4.05Å; V93-I135 HydrophobicContact CG2-CB 4.4Å; V93-I135 HydrophobicContact CG2-CD1 3.46Å; V93-I135 VanDerWaalsContact CG2-CD1 3.46Å; V93-I135 HydrophobicContact CG2-CG1 3.59Å; V93-I135 HydrophobicContact CG2-CG2 3.94Å
136	L	96.2	Very high	95.2	Very high	93 Å²	93	47.9 Å²	47.9	49%	0.487	25%	0.254	S	S	.	.			trans	-96.8	-40.6	179.3	-63.9	-172.5	0	0	0	112.6	E128 I129 D131 V134	E128-L136 WeakPolarHBondContact O-CB 3.29Å; I129-L136 PolarHBondContact O-N 2.92Å; D131-L136 HydrophobicContact CB-CD1 3.5Å; D131-L136 VanDerWaalsContact CB-CD1 3.5Å; D131-L136 HydrophobicContact CB-CD2 4.39Å; D131-L136 HydrophobicContact CB-CG 3.96Å; V134-L136 PolarHBondContact O-N 3.29Å
137	E	96.4	Very high	95	Very high	34 Å²	34	48.2 Å²	48.2	16%	0.159	26%	0.256	C	S	.	.			trans	-142.1	146.6	-176.6	-174.1	55.2	-92	0	0	110.2	E128 I129 D139 Q142 V143 R146	E128-E137 WeakPolarHBondContact O-CB 3.44Å; I129-E137 PolarHBondContact O-N 3.44Å; E137-D139 PolarHBondContact OE1-N 3.35Å; E137-Q142 HydrophobicContact CG-CB 4.03Å; E137-V143 HydrophobicContact CB-CG2 4.07Å; E137-V143 HydrophobicContact CG-CG2 3.62Å; E137-R146 IonicContact OE2-NH2 3.93Å
138	S	94.8	Very high	94.6	Very high	67 Å²	67	47 Å²	47	47%	0.469	26%	0.256	S	S	.	.			trans	-132.1	-6.6	177.6	60.2	0	0	0	0	113	C96 P140	C96-S138 WeakPolarHBondContact CB-O 3.36Å; C96-S138 PolarHBondContact SG-O 3.1Å; C96-S138 VanDerWaalsContact SG-O 3.41Å; S138-P140 WeakPolarHBondContact O-CD 3.33Å
139	D	96.4	Very high	93.9	Very high	59 Å²	59	49.7 Å²	49.7	32%	0.316	27%	0.271	S	S	.	.			trans	-87.2	113.1	170.8	-177.1	-8.1	0	0	0	110.7	E137 Q141 Q142 V143	E137-D139 PolarHBondContact OE1-N 3.35Å; D139-Q141 PolarHBondContact O-N 2.87Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.45Å; D139-Q141 PolarHBondContact OD1-N 2.98Å; D139-Q142 HydrophobicContact CB-CB 4.25Å; D139-Q142 HydrophobicContact CB-CG 3.93Å; D139-Q142 PolarHBondContact O-N 3.39Å; D139-V143 PolarHBondContact O-N 3.47Å
140	P	95.6	Very high	92.9	Very high	22 Å²	22	56.7 Å²	56.7	14%	0.143	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-28.3	-179.1	26.1	-35	0	0	0	113.3	D99 S100 S138 V143 V144	D99-P140 HydrophobicContact CB-CB 3.73Å; D99-P140 HydrophobicContact CB-CG 3.81Å; S100-P140 WeakPolarHBondContact OG-CA 3.42Å; S100-P140 VanDerWaalsContact OG-CB 3.31Å; S100-P140 WeakPolarHBondContact OG-CB 3.26Å; S100-P140 PolarHBondContact OG-O 3.14Å; S138-P140 WeakPolarHBondContact O-CD 3.33Å; P140-V143 PolarHBondContact O-N 2.88Å; P140-V144 WeakPolarHBondContact O-CG2 3.34Å; P140-V144 PolarHBondContact O-N 3.43Å
141	Q	94.6	Very high	91.2	Very high	127 Å²	127	59.3 Å²	59.3	59%	0.593	32%	0.324	S	S	*	.	H	α-helix	trans	-67.8	-39	178.5	-63.2	-170.6	-21.6	0	0	111.4	D139 H145	D139-Q141 PolarHBondContact O-N 2.87Å; D139-Q141 WeakPolarHBondContact OD1-CB 3.45Å; D139-Q141 PolarHBondContact OD1-N 2.98Å; Q141-H145 WeakPolarHBondContact O-CB 3.32Å; Q141-H145 PolarHBondContact O-N 3.47Å
142	Q	96.1	Very high	89.2	Confident	83 Å²	83	58.8 Å²	58.8	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-67	-43	176.6	-65.1	-57.1	-39.9	0	0	111.3	E137 D139 H145 R146	E137-Q142 HydrophobicContact CG-CB 4.03Å; D139-Q142 HydrophobicContact CB-CB 4.25Å; D139-Q142 HydrophobicContact CB-CG 3.93Å; D139-Q142 PolarHBondContact O-N 3.39Å; Q142-H145 PolarHBondContact O-N 3.24Å; Q142-R146 VanDerWaalsContact O-CG 3.32Å; Q142-R146 WeakPolarHBondContact O-CG 3.41Å; Q142-R146 PolarHBondContact O-N 3.28Å
143	V	96.4	Very high	87.1	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-53.9	175.6	173.3	0	0	0	0	110.3	S100 A125 E128 I129 E137 D139 P140 H145 R146 V147	S100-V143 WeakPolarHBondContact OG-CB 3.28Å; A125-V143 HydrophobicContact CB-CG1 3.9Å; E128-V143 HydrophobicContact CB-CG1 4.13Å; E128-V143 HydrophobicContact CB-CG2 4.41Å; I129-V143 HydrophobicContact CD1-CG1 4.28Å; I129-V143 HydrophobicContact CD1-CG2 4.38Å; I129-V143 HydrophobicContact CG1-CG1 4.11Å; I129-V143 HydrophobicContact CG1-CG2 3.61Å; E137-V143 HydrophobicContact CB-CG2 4.07Å; E137-V143 HydrophobicContact CG-CG2 3.62Å; D139-V143 PolarHBondContact O-N 3.47Å; P140-V143 PolarHBondContact O-N 2.88Å; V143-H145 VanDerWaalsContact C-N 3.3Å; V143-H145 PolarHBondContact O-N 3.47Å; V143-R146 PolarHBondContact O-N 3.43Å; V143-R146 VanDerWaalsContact O-N 3.13Å; V143-V147 HydrophobicContact CG1-CG2 4.2Å; V143-V147 VanDerWaalsContact O-CG2 3.26Å; V143-V147 WeakPolarHBondContact O-CG2 3.42Å; V143-V147 PolarHBondContact O-N 2.88Å
144	V	93.7	Very high	84.9	Confident	29 Å²	29	68.3 Å²	68.3	18%	0.176	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-42.2	-178.3	174.1	0	0	0	0	111.4	Q103 M104 P140 R146 V147 A148	Q103-V144 HydrophobicContact CB-CG2 3.96Å; M104-V144 HydrophobicContact CG-CG1 4.09Å; M104-V144 HydrophobicContact CG-CG2 3.91Å; M104-V144 HydrophobicContact SD-CG2 4.19Å; P140-V144 WeakPolarHBondContact O-CG2 3.34Å; P140-V144 PolarHBondContact O-N 3.43Å; V144-R146 PolarHBondContact O-N 2.84Å; V144-V147 PolarHBondContact O-N 2.76Å; V144-A148 WeakPolarHBondContact O-CB 3.23Å; V144-A148 PolarHBondContact O-N 3.18Å
145	H	92.1	Very high	82.5	Confident	91 Å²	91	70.3 Å²	70.3	42%	0.421	38%	0.379	S	S	.	.	H	α-helix	trans	-59	-47.7	176	176.2	-95.6	0	0	0	111.6	Q141 Q142 V143 A148 L149	Q141-H145 WeakPolarHBondContact O-CB 3.32Å; Q141-H145 PolarHBondContact O-N 3.47Å; Q142-H145 PolarHBondContact O-N 3.24Å; V143-H145 VanDerWaalsContact C-N 3.3Å; V143-H145 PolarHBondContact O-N 3.47Å; H145-A148 PolarHBondContact O-N 2.94Å; H145-L149 WeakPolarHBondContact O-CG 3.49Å; H145-L149 PolarHBondContact O-N 3.08Å
146	R	92.7	Very high	80.3	Confident	95 Å²	95	73.5 Å²	73.5	36%	0.358	40%	0.396	S	S	.	.	H	α-helix	trans	-67.6	-37.6	179.2	-67.4	178.9	-168.6	-165.8	9.3	112.9	E128 E137 Q142 V143 V144 A148 L149 R150	E128-R146 HydrophobicContact CG-CB 4.07Å; E128-R146 WeakPolarHBondContact OE2-CD 3.14Å; E128-R146 IonicContact OE2-CZ 3.12Å; E128-R146 IonicContact OE2-NE 2.89Å; E128-R146 IonicContact OE2-NH1 3.89Å; E128-R146 PolarHBondContact OE2-NH1 3.22Å; E128-R146 VanDerWaalsContact OE2-NH1 3.12Å; E137-R146 IonicContact OE2-NH2 3.93Å; Q142-R146 VanDerWaalsContact O-CG 3.32Å; Q142-R146 WeakPolarHBondContact O-CG 3.41Å; Q142-R146 PolarHBondContact O-N 3.28Å; V143-R146 PolarHBondContact O-N 3.43Å; V143-R146 VanDerWaalsContact O-N 3.13Å; V144-R146 PolarHBondContact O-N 2.84Å; R146-A148 VanDerWaalsContact C-N 3.34Å; R146-L149 WeakPolarHBondContact O-CB 3.31Å; R146-L149 PolarHBondContact O-N 3.17Å; R146-R150 PolarHBondContact O-N 3.4Å
147	V	91.4	Very high	78.2	Confident	9 Å²	9	73.7 Å²	73.7	6%	0.055	40%	0.401	C	S	.	.	H	α-helix	trans	-62.4	-43	174.7	174.3	0	0	0	0	110.7	M104 L124 A125 E128 V143 V144 L149 R150 G151	M104-V147 HydrophobicContact CE-CB 4.46Å; M104-V147 HydrophobicContact CE-CG1 3.61Å; M104-V147 HydrophobicContact SD-CG1 4.34Å; L124-V147 HydrophobicContact CB-CB 4.36Å; L124-V147 HydrophobicContact CB-CG1 3.78Å; L124-V147 HydrophobicContact CB-CG2 3.88Å; L124-V147 HydrophobicContact CD1-CG1 4Å; A125-V147 HydrophobicContact CB-CG2 4.22Å; E128-V147 HydrophobicContact CG-CG2 4.37Å; V143-V147 HydrophobicContact CG1-CG2 4.2Å; V143-V147 VanDerWaalsContact O-CG2 3.26Å; V143-V147 WeakPolarHBondContact O-CG2 3.42Å; V143-V147 PolarHBondContact O-N 2.88Å; V144-V147 PolarHBondContact O-N 2.76Å; V147-L149 VanDerWaalsContact C-N 3.25Å; V147-L149 PolarHBondContact O-N 2.81Å; V147-R150 PolarHBondContact O-N 3.47Å; V147-G151 PolarHBondContact O-N 3.01Å
148	A	87.3	Confident	76	Confident	45 Å²	45	78 Å²	78	37%	0.372	42%	0.421	S	S	.	.	H	α-helix	trans	-61.6	-32.3	177.2	0	0	0	0	0	113.1	V144 H145 R146 R150	V144-A148 WeakPolarHBondContact O-CB 3.23Å; V144-A148 PolarHBondContact O-N 3.18Å; H145-A148 PolarHBondContact O-N 2.94Å; R146-A148 VanDerWaalsContact C-N 3.34Å; A148-R150 VanDerWaalsContact C-N 3.3Å; A148-R150 PolarHBondContact O-N 3.15Å
149	L	82.9	Confident	74.1	Confident	66 Å²	66	77.7 Å²	77.7	35%	0.346	41%	0.412	S	S	.	.	H	α-helix	trans	-72	-21.6	174.3	-65.3	179.4	0	0	0	113.8	H145 R146 V147 L156	H145-L149 WeakPolarHBondContact O-CG 3.49Å; H145-L149 PolarHBondContact O-N 3.08Å; R146-L149 WeakPolarHBondContact O-CB 3.31Å; R146-L149 PolarHBondContact O-N 3.17Å; V147-L149 VanDerWaalsContact C-N 3.25Å; V147-L149 PolarHBondContact O-N 2.81Å; L149-L156 HydrophobicContact CD1-CD1 4.37Å; L149-L156 HydrophobicContact CD2-CD1 3.32Å; L149-L156 HydrophobicContact CG-CD1 4.45Å
150	R	76	Confident	72.3	Confident	148 Å²	148	78.4 Å²	78.4	56%	0.558	42%	0.419	S	S	*	.	H	α-helix	trans	-96.4	-24.5	-179.5	-68.3	-177.4	-178	-163.4	5.5	113.2	L124 E128 R146 V147 A148	L124-R150 HydrophobicContact CD1-CB 4.26Å; L124-R150 HydrophobicContact CD2-CB 4.41Å; E128-R150 IonicContact OE1-CZ 2.91Å; E128-R150 IonicContact OE1-NE 2.68Å; E128-R150 PolarHBondContact OE1-NE 3.24Å; E128-R150 IonicContact OE1-NH1 2.93Å; E128-R150 IonicContact OE1-NH2 2.85Å; E128-R150 PolarHBondContact OE1-NH2 2.99Å; R146-R150 PolarHBondContact O-N 3.4Å; V147-R150 PolarHBondContact O-N 3.47Å; A148-R150 VanDerWaalsContact C-N 3.3Å; A148-R150 PolarHBondContact O-N 3.15Å
151	G	61.8	Low	70.5	Confident	56 Å²	56	82 Å²	82	58%	0.577	44%	0.44	S	S	*	.	H	α-helix	trans	-83.6	-18.3	-176.1	0	0	0	0	0	114.9	V147	V147-G151 PolarHBondContact O-N 3.01Å
152	D	52.2	Low	68.9	Low	92 Å²	92	80 Å²	80	49%	0.492	44%	0.437	S	S	.	.			trans	-119.8	121.3	179.7	-96.6	-18.3	0	0	0	109.4	V154	D152-V154 HydrophobicContact CB-CB 3.87Å; D152-V154 HydrophobicContact CB-CG2 3.65Å; D152-V154 PolarHBondContact O-N 2.89Å
153	D	48.5	Very low	67.4	Low	183 Å²	183	82 Å²	82	98%	0.979	45%	0.446	S	S	*	.			trans	-66	37.7	158.3	-85.1	-35.9	0	0	0	110.7
154	V	47.5	Very low	65.9	Low	54 Å²	54	86.4 Å²	86.4	33%	0.327	47%	0.473	S	S	.	.			trans	-99.7	124.2	-179.5	179.9	0	0	0	0	107.9	D152 L156	D152-V154 HydrophobicContact CB-CB 3.87Å; D152-V154 HydrophobicContact CB-CG2 3.65Å; D152-V154 PolarHBondContact O-N 2.89Å; V154-L156 PolarHBondContact O-N 2.64Å
155	P	44.5	Very low	64.7	Low	81 Å²	81	90.8 Å²	90.8	53%	0.526	50%	0.495	S	S	.	.			trans	-56	128.7	-177.6	-21	30.1	0	0	0	111.4	T157 E158	P155-T157 PolarHBondContact O-N 2.67Å; P155-E158 PolarHBondContact O-N 3.2Å
156	L	50.1	Low	63.6	Low	109 Å²	109	92.1 Å²	92.1	57%	0.571	50%	0.501	S	S	*	.	H	α-helix	trans	-43.3	-25.9	178	-162.8	71.7	0	0	0	114.2	L149 V154 E158 T160	L149-L156 HydrophobicContact CD1-CD1 4.37Å; L149-L156 HydrophobicContact CD2-CD1 3.32Å; L149-L156 HydrophobicContact CG-CD1 4.45Å; V154-L156 PolarHBondContact O-N 2.64Å; L156-E158 VanDerWaalsContact C-N 3.33Å; L156-E158 PolarHBondContact O-N 3.44Å; L156-T160 PolarHBondContact O-N 3.24Å; L156-T160 PolarHBondContact O-OG1 2.96Å
157	T	51.8	Low	62.5	Low	98 Å²	98	90.8 Å²	90.8	60%	0.601	51%	0.507	S	S	*	.	H	α-helix	trans	-62.7	-30.2	178.1	45.4	0	0	0	0	114.5	P155 V161	P155-T157 PolarHBondContact O-N 2.67Å; T157-V161 WeakPolarHBondContact O-CG2 3.39Å
158	E	50.8	Low	61.5	Low	124 Å²	124	92.1 Å²	92.1	58%	0.579	52%	0.519	S	S	*	.	H	α-helix	trans	-84.9	-34.1	-175.3	-64.4	-168.4	164.6	0	0	113	P155 L156 T162	P155-E158 PolarHBondContact O-N 3.2Å; L156-E158 VanDerWaalsContact C-N 3.33Å; L156-E158 PolarHBondContact O-N 3.44Å; E158-T162 PolarHBondContact O-N 2.85Å; E158-T162 PolarHBondContact O-OG1 3.44Å
159	Q	53.4	Low	60.9	Low	60 Å²	60	97.6 Å²	97.6	28%	0.28	53%	0.534	S	S	.	.	H	α-helix	trans	-71.3	-43.4	178.7	-69.2	-177.7	-12.1	0	0	111.9	V161 T162 Q163	Q159-V161 PolarHBondContact O-N 3.22Å; Q159-T162 PolarHBondContact O-N 3.45Å; Q159-Q163 PolarHBondContact O-N 3.16Å; Q159-Q163 VanDerWaalsContact O-N 3.16Å
160	T	59.4	Low	60.4	Low	75 Å²	75	99.8 Å²	99.8	46%	0.46	54%	0.542	S	S	.	.	H	α-helix	trans	-64.6	-39.3	177.4	-47.2	0	0	0	0	111.9	L156 T162 Q163 V164	L156-T160 PolarHBondContact O-N 3.24Å; L156-T160 PolarHBondContact O-OG1 2.96Å; T160-T162 PolarHBondContact O-N 3.47Å; T160-Q163 PolarHBondContact O-N 3.06Å; T160-V164 HydrophobicContact CG2-CG2 4.19Å; T160-V164 WeakPolarHBondContact O-CB 3.1Å; T160-V164 WeakPolarHBondContact O-CG2 3.35Å; T160-V164 PolarHBondContact O-N 3.36Å
161	V	57	Low	60.2	Low	96 Å²	96	99.8 Å²	99.8	58%	0.582	55%	0.549	S	S	*	.	H	α-helix	trans	-65.9	-39.7	179.5	172.2	0	0	0	0	111.2	T157 Q159 L165	T157-V161 WeakPolarHBondContact O-CG2 3.39Å; Q159-V161 PolarHBondContact O-N 3.22Å; V161-L165 WeakPolarHBondContact O-CB 3.18Å; V161-L165 PolarHBondContact O-N 3.04Å
162	T	61.4	Low	60.8	Low	85 Å²	85	101.8 Å²	101.8	52%	0.521	55%	0.545	S	S	.	.	H	α-helix	trans	-66.2	-42.6	179.2	-53.1	0	0	0	0	111.3	E158 Q159 T160 L165 Q166	E158-T162 PolarHBondContact O-N 2.85Å; E158-T162 PolarHBondContact O-OG1 3.44Å; Q159-T162 PolarHBondContact O-N 3.45Å; T160-T162 PolarHBondContact O-N 3.47Å; T162-L165 PolarHBondContact O-N 3.29Å; T162-Q166 WeakPolarHBondContact O-CB 3.19Å; T162-Q166 PolarHBondContact O-N 2.91Å
163	Q	65.3	Low	61.8	Low	125 Å²	125	104.1 Å²	104.1	58%	0.584	55%	0.551	S	S	*	*	H	α-helix	trans	-68.1	-43.6	179.1	-149.6	174.2	7.2	0	0	111.9	Q159 T160 Q166 S167	Q159-Q163 PolarHBondContact O-N 3.16Å; Q159-Q163 VanDerWaalsContact O-N 3.16Å; T160-Q163 PolarHBondContact O-N 3.06Å; Q163-Q166 PolarHBondContact O-N 3.48Å; Q163-S167 PolarHBondContact O-N 2.94Å; Q163-S167 PolarHBondContact O-OG 3.49Å
164	V	63.9	Low	62.7	Low	93 Å²	93	104.4 Å²	104.4	56%	0.564	54%	0.538	S	S	*	.	H	α-helix	trans	-63.9	-41.5	175.7	171.1	0	0	0	0	111.5	T160 Q166 S167 A168	T160-V164 HydrophobicContact CG2-CG2 4.19Å; T160-V164 WeakPolarHBondContact O-CB 3.1Å; T160-V164 WeakPolarHBondContact O-CG2 3.35Å; T160-V164 PolarHBondContact O-N 3.36Å; V164-Q166 VanDerWaalsContact C-N 3.29Å; V164-Q166 PolarHBondContact O-N 2.93Å; V164-S167 PolarHBondContact O-N 3.29Å; V164-A168 VanDerWaalsContact O-CB 3.3Å; V164-A168 WeakPolarHBondContact O-CB 3.3Å; V164-A168 PolarHBondContact O-N 3Å
165	L	67.9	Low	63.7	Low	122 Å²	122	105.5 Å²	105.5	64%	0.639	55%	0.548	S	S	*	.	H	α-helix	trans	-65.1	-35.7	178.1	-172.1	65.3	0	0	0	111.7	V161 T162 K169	V161-L165 WeakPolarHBondContact O-CB 3.18Å; V161-L165 PolarHBondContact O-N 3.04Å; T162-L165 PolarHBondContact O-N 3.29Å; L165-K169 WeakPolarHBondContact O-CB 3.34Å; L165-K169 PolarHBondContact O-N 2.93Å
166	Q	69.4	Low	64.8	Low	119 Å²	119	108 Å²	108	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-70.9	-44.2	178.8	-160.7	151.4	-15.5	0	0	111.7	T162 Q163 V164 A168 K169 E170	T162-Q166 WeakPolarHBondContact O-CB 3.19Å; T162-Q166 PolarHBondContact O-N 2.91Å; Q163-Q166 PolarHBondContact O-N 3.48Å; V164-Q166 VanDerWaalsContact C-N 3.29Å; V164-Q166 PolarHBondContact O-N 2.93Å; Q166-A168 PolarHBondContact O-N 3.36Å; Q166-K169 PolarHBondContact O-N 3.43Å; Q166-E170 PolarHBondContact O-N 3.29Å; Q166-E170 VanDerWaalsContact O-N 3.08Å
167	S	71	Confident	65.6	Low	67 Å²	67	109 Å²	109	47%	0.469	56%	0.562	S	S	.	*	H	α-helix	trans	-63	-39.5	172.3	-60.2	0	0	0	0	112.6	Q163 V164 E170 Q171	Q163-S167 PolarHBondContact O-N 2.94Å; Q163-S167 PolarHBondContact O-OG 3.49Å; V164-S167 PolarHBondContact O-N 3.29Å; S167-E170 PolarHBondContact O-N 3.43Å; S167-Q171 PolarHBondContact O-N 2.91Å
168	A	69.3	Low	65.4	Low	37 Å²	37	118 Å²	118	31%	0.306	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-41.1	175.3	0	0	0	0	0	111.9	V164 Q166 E170 Q171 I172	V164-A168 VanDerWaalsContact O-CB 3.3Å; V164-A168 WeakPolarHBondContact O-CB 3.3Å; V164-A168 PolarHBondContact O-N 3Å; Q166-A168 PolarHBondContact O-N 3.36Å; A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 3.47Å; A168-Q171 PolarHBondContact O-N 3.08Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.27Å; A168-I172 PolarHBondContact O-N 2.71Å
169	K	74.6	Confident	66.1	Low	160 Å²	160	117.7 Å²	117.7	70%	0.696	59%	0.585	S	S	*	*	H	α-helix	trans	-61.3	-40.5	176	-174.2	-179.4	179.7	-178.5	0	111.9	L165 Q166 K173	L165-K169 WeakPolarHBondContact O-CB 3.34Å; L165-K169 PolarHBondContact O-N 2.93Å; Q166-K169 PolarHBondContact O-N 3.43Å; K169-K173 WeakPolarHBondContact O-CB 3.43Å; K169-K173 PolarHBondContact O-N 3.34Å
170	E	73.8	Confident	66.8	Low	112 Å²	112	120.7 Å²	120.7	52%	0.523	60%	0.601	S	S	.	*	H	α-helix	trans	-68.2	-43.5	176.6	-72.9	-178.1	171.6	0	0	112	Q166 S167 A168 I172 K173 W174	Q166-E170 PolarHBondContact O-N 3.29Å; Q166-E170 VanDerWaalsContact O-N 3.08Å; S167-E170 PolarHBondContact O-N 3.43Å; A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 3.47Å; E170-I172 VanDerWaalsContact C-N 3.33Å; E170-I172 PolarHBondContact O-N 2.97Å; E170-K173 WeakPolarHBondContact O-CB 3.45Å; E170-K173 PolarHBondContact O-N 3.43Å; E170-W174 PolarHBondContact O-N 3.04Å
171	Q	71.3	Confident	67.2	Low	147 Å²	147	123.2 Å²	123.2	69%	0.687	61%	0.609	S	S	*	*	H	α-helix	trans	-60.6	-41.5	174.8	-77.8	-174	-12.9	0	0	112.5	S167 A168 W174 S175	S167-Q171 PolarHBondContact O-N 2.91Å; A168-Q171 PolarHBondContact O-N 3.08Å; Q171-W174 PolarHBondContact O-N 3.2Å; Q171-S175 WeakPolarHBondContact O-CB 3.46Å; Q171-S175 PolarHBondContact O-N 3.02Å
172	I	74.1	Confident	67.8	Low	99 Å²	99	124.8 Å²	124.8	51%	0.508	61%	0.61	S	S	.	*	H	α-helix	trans	-63.1	-43.4	175.6	-69.4	166.9	0	0	0	110.6	A168 E170 W174 S175 L176	A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.27Å; A168-I172 PolarHBondContact O-N 2.71Å; E170-I172 VanDerWaalsContact C-N 3.33Å; E170-I172 PolarHBondContact O-N 2.97Å; I172-W174 VanDerWaalsContact C-N 3.32Å; I172-W174 PolarHBondContact O-N 3.49Å; I172-S175 WeakPolarHBondContact CA-OG 3.46Å; I172-S175 PolarHBondContact O-N 3.48Å; I172-S175 VanDerWaalsContact O-N 3.14Å; I172-S175 PolarHBondContact O-OG 3.14Å; I172-L176 HydrophobicContact CG2-CD1 3.81Å; I172-L176 HydrophobicContact CG2-CG 4.42Å; I172-L176 WeakPolarHBondContact O-CG 3.42Å; I172-L176 PolarHBondContact O-N 3.39Å
173	K	73.3	Confident	68.2	Low	141 Å²	141	127.3 Å²	127.3	61%	0.613	62%	0.616	S	S	*	*	H	α-helix	trans	-58.6	-43	177.6	-173.1	-175.4	177.5	-172.6	0	112	K169 E170 L176 L177	K169-K173 WeakPolarHBondContact O-CB 3.43Å; K169-K173 PolarHBondContact O-N 3.34Å; E170-K173 WeakPolarHBondContact O-CB 3.45Å; E170-K173 PolarHBondContact O-N 3.43Å; K173-L176 PolarHBondContact O-N 3.43Å; K173-L177 HydrophobicContact CG-CD1 4.29Å; K173-L177 WeakPolarHBondContact O-CD1 3.5Å; K173-L177 WeakPolarHBondContact O-CG 3.39Å; K173-L177 PolarHBondContact O-N 3.35Å
174	W	67.7	Low	68.4	Low	189 Å²	189	127.5 Å²	127.5	72%	0.716	62%	0.618	S	S	*	*	H	α-helix	trans	-69.6	-34.1	176.2	-72.9	111.6	0	0	0	112.9	E170 Q171 I172 L176 L177	E170-W174 PolarHBondContact O-N 3.04Å; Q171-W174 PolarHBondContact O-N 3.2Å; I172-W174 VanDerWaalsContact C-N 3.32Å; I172-W174 PolarHBondContact O-N 3.49Å; W174-L176 VanDerWaalsContact C-N 3.32Å; W174-L176 PolarHBondContact O-N 3.46Å; W174-L177 PolarHBondContact O-N 3.05Å
175	S	68.1	Low	68.7	Low	76 Å²	76	129.9 Å²	129.9	53%	0.531	62%	0.622	S	S	.	*	H	α-helix	trans	-69.4	-26.9	176.8	73.9	0	0	0	0	114	Q171 I172	Q171-S175 WeakPolarHBondContact O-CB 3.46Å; Q171-S175 PolarHBondContact O-N 3.02Å; I172-S175 WeakPolarHBondContact CA-OG 3.46Å; I172-S175 PolarHBondContact O-N 3.48Å; I172-S175 VanDerWaalsContact O-N 3.14Å; I172-S175 PolarHBondContact O-OG 3.14Å
176	L	68.2	Low	68.8	Low	134 Å²	134	130.5 Å²	130.5	70%	0.702	62%	0.62	S	S	*	*	H	α-helix	trans	-87.2	-13.4	178.8	-72.5	168.7	0	0	0	113.9	I172 K173 W174 R178	I172-L176 HydrophobicContact CG2-CD1 3.81Å; I172-L176 HydrophobicContact CG2-CG 4.42Å; I172-L176 WeakPolarHBondContact O-CG 3.42Å; I172-L176 PolarHBondContact O-N 3.39Å; K173-L176 PolarHBondContact O-N 3.43Å; W174-L176 VanDerWaalsContact C-N 3.32Å; W174-L176 PolarHBondContact O-N 3.46Å; L176-R178 VanDerWaalsContact C-N 3.32Å
177	L	67.1	Low	68.7	Low	129 Å²	129	131.5 Å²	131.5	68%	0.675	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	7.5	177.4	-75	165.8	0	0	0	112.8	K173 W174	K173-L177 HydrophobicContact CG-CD1 4.29Å; K173-L177 WeakPolarHBondContact O-CD1 3.5Å; K173-L177 WeakPolarHBondContact O-CG 3.39Å; K173-L177 PolarHBondContact O-N 3.35Å; W174-L177 PolarHBondContact O-N 3.05Å
178	R	46.6	Very low	68.5	Low	287 Å²	287	137.4 Å²	137.4	100%	1.083	64%	0.64	S	S	*	*			trans	-115.2	0	173.9	-166	179.5	-169.2	-176.6	3.4	109.8	L176	L176-R178 VanDerWaalsContact C-N 3.32Å

Retrieved 178 of 178 residues in 268 ms (Link to these results)

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