A0A096MWP1_PAPAN Loading...

Coatomer subunit zeta AlphaSync

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 (P61923-5), UniProt , Accession A0A096MWP1, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 160 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	45.9	Very low	70.6	Confident	238 Å²	238	145.6 Å²	145.6	100%	1.172	77%	0.767	S	S	*	*				0	104.2	0	-82.3	168.7	68.9	0	0	105.8	A3	M1-A3 PolarHBondContact O-N 3.05Å; M1-A3 VanDerWaalsContact O-N 3.16Å
2	E	49.7	Very low	72.4	Confident	190 Å²	190	134 Å²	134	89%	0.888	71%	0.706	S	S	*	*			trans	-59.5	118.4	162.1	-84.6	170.3	157.2	0	0	105.8	L4	E2-L4 PolarHBondContact O-N 3.35Å
3	A	57.9	Low	74.4	Confident	84 Å²	84	124.1 Å²	124.1	69%	0.694	65%	0.654	S	S	*	*			trans	-57.6	115.8	160.6	0	0	0	0	0	104.5	M1 I5	M1-A3 PolarHBondContact O-N 3.05Å; M1-A3 VanDerWaalsContact O-N 3.16Å; A3-I5 PolarHBondContact O-N 3.28Å
4	L	61.9	Low	76	Confident	168 Å²	168	118.8 Å²	118.8	88%	0.88	62%	0.623	S	S	*	*			trans	-58.7	98.4	165.7	-76.5	165.3	0	0	0	104.9	E2 L6	E2-L4 PolarHBondContact O-N 3.35Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.27Å
5	I	65.1	Low	77.5	Confident	151 Å²	151	111 Å²	111	77%	0.774	58%	0.582	S	S	*	*			trans	-67.3	101.1	170.5	-65.2	169.3	0	0	0	103.3	A3 E7	A3-I5 PolarHBondContact O-N 3.28Å; I5-E7 PolarHBondContact O-N 3.1Å
6	L	70.4	Confident	78.8	Confident	115 Å²	115	104.1 Å²	104.1	60%	0.602	55%	0.546	S	S	*	.			trans	-61.9	112.8	170.1	-171.5	76.7	0	0	0	106	L4 Y84	L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.27Å; L6-Y84 HydrophobicContact CD2-CG 4.41Å
7	E	77.7	Confident	79.9	Confident	162 Å²	162	98 Å²	98	76%	0.757	51%	0.514	S	S	*	.			trans	-62.3	134.3	174.8	-70.9	-166.7	163.9	0	0	108.6	I5 S9	I5-E7 PolarHBondContact O-N 3.1Å; E7-S9 PolarHBondContact O-N 2.86Å
8	P	79.4	Confident	81	Confident	136 Å²	136	92.6 Å²	92.6	88%	0.883	49%	0.486	S	S	*	.			trans	-59.5	131.6	178.1	25.5	-33.3	0	0	0	109.4
9	S	86.5	Confident	81.9	Confident	68 Å²	68	87.7 Å²	87.7	48%	0.476	46%	0.46	S	S	.	.			trans	-128.8	144.1	-178.3	179.8	0	0	0	0	110	E7 Y11	E7-S9 PolarHBondContact O-N 2.86Å; S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 WeakPolarHBondContact OG-CB 3.47Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.32Å; S9-Y11 PolarHBondContact OG-N 2.79Å; S9-Y11 VanDerWaalsContact OG-N 3.13Å
10	L	89.6	Confident	82.6	Confident	131 Å²	131	83.8 Å²	83.8	69%	0.686	44%	0.439	S	S	*	.	S	Bend	trans	-80.3	-14.5	171.5	-66.3	172.9	0	0	0	112.3	T12 V133	L10-T12 VanDerWaalsContact C-N 3.31Å; L10-T12 PolarHBondContact O-N 3.19Å; L10-T12 PolarHBondContact O-OG1 3.2Å; L10-V133 HydrophobicContact CB-CG1 4.12Å; L10-V133 HydrophobicContact CB-CG2 4.01Å; L10-V133 WeakPolarHBondContact O-CA 3.43Å
11	Y	92.2	Very high	83.3	Confident	159 Å²	159	83.9 Å²	83.9	62%	0.624	44%	0.44	S	S	*	.	B	Isolated β-bridge	trans	-80.8	75	-177.5	-63.2	-81.9	0	0	0	111	S9 G131 V133	S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 WeakPolarHBondContact OG-CB 3.47Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.32Å; S9-Y11 PolarHBondContact OG-N 2.79Å; S9-Y11 VanDerWaalsContact OG-N 3.13Å; Y11-G131 WeakPolarHBondContact CD1-O 3.44Å; Y11-G131 WeakPolarHBondContact CE1-O 3.4Å; Y11-V133 HydrophobicContact CD1-CG2 4.06Å; Y11-V133 HydrophobicContact CE1-CG2 4.09Å
12	T	93	Very high	85.6	Confident	6 Å²	6	77.4 Å²	77.4	4%	0.037	41%	0.411	C	S	.	.			trans	-87.4	-37.8	-173.6	-53.9	0	0	0	0	112.7	L10 E85 M89 L90 G132 I134	L10-T12 VanDerWaalsContact C-N 3.31Å; L10-T12 PolarHBondContact O-N 3.19Å; L10-T12 PolarHBondContact O-OG1 3.2Å; T12-E85 HydrophobicContact CG2-CB 4.41Å; T12-E85 HydrophobicContact CG2-CG 4.3Å; T12-E85 WeakPolarHBondContact CG2-OE2 3.28Å; T12-E85 WeakPolarHBondContact O-CG 3.48Å; T12-M89 HydrophobicContact CG2-CB 4.41Å; T12-M89 HydrophobicContact CG2-CE 4.28Å; T12-L90 HydrophobicContact CG2-CD2 3.94Å; T12-G132 PolarHBondContact N-O 3.42Å; T12-I134 HydrophobicContact CG2-CD1 4.14Å
13	V	97.5	Very high	87.9	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.03	37%	0.371	C	S	.	.			trans	-100.4	122.1	-172	-176.6	0	0	0	0	110.3	I16 Y31 V79 L90 V93 V129 G132 I134	V13-I16 HydrophobicContact CG1-CD1 4.47Å; V13-I16 HydrophobicContact CG1-CG1 4Å; V13-Y31 HydrophobicContact CB-CD2 4.37Å; V13-Y31 HydrophobicContact CG1-CD2 3.9Å; V13-Y31 HydrophobicContact CG1-CE2 3.82Å; V13-Y31 WeakPolarHBondContact O-CB 3.28Å; V13-Y31 WeakPolarHBondContact O-CD2 3.44Å; V13-V79 HydrophobicContact CG1-CG1 3.99Å; V13-V79 HydrophobicContact CG2-CG1 4.36Å; V13-L90 HydrophobicContact CG2-CD2 4.24Å; V13-V93 HydrophobicContact CG2-CG2 4.21Å; V13-V129 HydrophobicContact CB-CG1 4.01Å; V13-V129 HydrophobicContact CG1-CG1 4.34Å; V13-V129 HydrophobicContact CG2-CG1 4.34Å; V13-V129 HydrophobicContact CG2-CG2 4.17Å; V13-G132 PolarHBondContact N-O 3.19Å; V13-G132 WeakPolarHBondContact O-CA 3.44Å; V13-I134 HydrophobicContact CG2-CD1 4.38Å; V13-I134 HydrophobicContact CG2-CG1 3.99Å
14	K	97.2	Very high	89.8	Confident	50 Å²	50	69.2 Å²	69.2	22%	0.217	36%	0.362	C	S	.	.	S	Bend	trans	-89.9	-38.2	175.5	-65.8	-174.7	161.5	-77.9	0	112.6	Y30 Y31 D32 T34 L65 I80	K14-Y30 WeakPolarHBondContact O-CA 3.4Å; K14-Y31 PolarHBondContact O-N 3.43Å; K14-D32 VanDerWaalsContact CG-OD2 3.31Å; K14-D32 WeakPolarHBondContact CG-OD2 3.47Å; K14-D32 IonicContact NZ-OD2 3.35Å; K14-D32 PolarHBondContact NZ-OD2 3.21Å; K14-T34 PolarHBondContact NZ-OG1 3.37Å; K14-L65 HydrophobicContact CD-CD2 3.61Å; K14-I80 HydrophobicContact CB-CG2 4.4Å; K14-I80 PolarHBondContact N-O 3.05Å
15	A	98.1	Very high	91.5	Very high	2 Å²	2	65 Å²	65	2%	0.017	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	153.7	176.3	0	0	0	0	0	113.3	L17 K29 Y30 I80	A15-L17 HydrophobicContact CB-CD2 4.35Å; A15-K29 CarbonylContact C-O 3.52Å; A15-K29 WeakPolarHBondContact CA-O 3.25Å; A15-K29 WeakPolarHBondContact CB-O 3.27Å; A15-Y30 HydrophobicContact CB-CD1 3.57Å; A15-Y30 HydrophobicContact CB-CE1 3.8Å; A15-Y30 HydrophobicContact CB-CG 4.03Å; A15-I80 HydrophobicContact CB-CB 4.34Å; A15-I80 HydrophobicContact CB-CD1 3.84Å; A15-I80 PolarHBondContact N-O 3.22Å; A15-I80 PolarHBondContact O-N 3.48Å
16	I	98.5	Very high	93	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.4	167.9	-62.9	173.4	0	0	0	107.8	V13 F27 A28 K29 Y31 Y78 V79 V93 L97 V125 V129	V13-I16 HydrophobicContact CG1-CD1 4.47Å; V13-I16 HydrophobicContact CG1-CG1 4Å; I16-F27 HydrophobicContact CB-CE1 4.41Å; I16-F27 HydrophobicContact CG2-CE1 4.13Å; I16-A28 WeakPolarHBondContact O-CA 3.38Å; I16-K29 PolarHBondContact N-O 3.32Å; I16-K29 PolarHBondContact O-N 2.99Å; I16-Y31 HydrophobicContact CD1-CE2 4.17Å; I16-Y31 HydrophobicContact CG1-CE2 4.15Å; I16-Y78 WeakPolarHBondContact CA-O 3.48Å; I16-V79 HydrophobicContact CG1-CG2 4.35Å; I16-V93 HydrophobicContact CD1-CG1 4.26Å; I16-L97 HydrophobicContact CG2-CD2 3.75Å; I16-V125 HydrophobicContact CD1-CG1 4.06Å; I16-V129 HydrophobicContact CD1-CB 4.22Å; I16-V129 HydrophobicContact CD1-CG2 3.89Å
17	L	98.4	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.6	-178	-42.5	169.3	0	0	0	110.4	A15 F27 A28 Y30 F44 E45 I48 Y78 I80	A15-L17 HydrophobicContact CB-CD2 4.35Å; L17-F27 WeakPolarHBondContact CA-O 3.28Å; L17-A28 HydrophobicContact CD2-CB 3.62Å; L17-Y30 HydrophobicContact CD2-CE2 3.79Å; L17-F44 HydrophobicContact CD1-CE1 4.44Å; L17-E45 HydrophobicContact CD1-CG 3.92Å; L17-E45 HydrophobicContact CD2-CG 4.29Å; L17-I48 HydrophobicContact CD1-CD1 4.44Å; L17-Y78 HydrophobicContact CB-CD2 4.22Å; L17-Y78 PolarHBondContact N-O 2.76Å; L17-Y78 PolarHBondContact O-N 3.31Å; L17-I80 HydrophobicContact CD1-CD1 3.43Å; L17-I80 VanDerWaalsContact CD1-CD1 3.43Å; L17-I80 HydrophobicContact CG-CD1 3.87Å
18	I	98.3	Very high	95.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.1	166.2	-52.3	176.7	0	0	0	107.5	L26 F27 L75 Y76 F77 L114 L121	I18-L26 HydrophobicContact CG2-CD1 4.39Å; I18-L26 WeakPolarHBondContact O-CB 3.5Å; I18-L26 PolarHBondContact O-N 3.41Å; I18-F27 HydrophobicContact CB-CB 4.06Å; I18-F27 HydrophobicContact CD1-CB 4.3Å; I18-F27 HydrophobicContact CG1-CB 4.26Å; I18-F27 HydrophobicContact CG1-CD1 4.38Å; I18-F27 PolarHBondContact N-O 3Å; I18-F27 PolarHBondContact O-N 3.13Å; I18-L75 HydrophobicContact CG2-CD2 4.05Å; I18-Y76 WeakPolarHBondContact CA-O 3.48Å; I18-F77 HydrophobicContact CD1-CD1 3.81Å; I18-F77 HydrophobicContact CD1-CE1 3.55Å; I18-F77 HydrophobicContact CG1-CD1 3.73Å; I18-F77 HydrophobicContact CG1-CE1 3.94Å; I18-F77 HydrophobicContact CG2-CD1 4.4Å; I18-F77 HydrophobicContact CG2-CE1 4.21Å; I18-F77 HydrophobicContact CG2-CZ 4.43Å; I18-L114 HydrophobicContact CD1-CD2 4.17Å; I18-L114 HydrophobicContact CG2-CD2 3.96Å; I18-L121 HydrophobicContact CD1-CD1 3.49Å; I18-L121 VanDerWaalsContact CD1-CD1 3.49Å; I18-L121 HydrophobicContact CD1-CD2 3.79Å; I18-L121 HydrophobicContact CD1-CG 4.3Å
19	L	98.3	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	155.8	178.3	-50.4	-177.7	0	0	0	109.6	D24 R25 E45 F49 L75 Y76 Y78	L19-D24 CarbonylContact C-O 3.5Å; L19-D24 VanDerWaalsContact CA-O 3.29Å; L19-D24 WeakPolarHBondContact CA-O 3.35Å; L19-R25 HydrophobicContact CD2-CB 4.18Å; L19-E45 HydrophobicContact CD1-CB 4.3Å; L19-E45 HydrophobicContact CD2-CB 4.25Å; L19-E45 HydrophobicContact CD2-CG 4.21Å; L19-F49 HydrophobicContact CD1-CB 3.91Å; L19-F49 HydrophobicContact CD1-CD2 4.32Å; L19-L75 WeakPolarHBondContact O-CA 3.44Å; L19-Y76 PolarHBondContact N-O 3.49Å; L19-Y76 PolarHBondContact O-N 3.36Å; L19-Y78 HydrophobicContact CB-CE2 4.33Å; L19-Y78 HydrophobicContact CD1-CD2 4.32Å; L19-Y78 HydrophobicContact CD1-CE2 3.77Å; L19-Y78 HydrophobicContact CG-CD2 4.26Å; L19-Y78 HydrophobicContact CG-CE2 3.95Å
20	D	97	Very high	96.7	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-176.6	168.8	69.9	15.6	0	0	0	112.5	D22 G23 D24 L26 F49 D74 K111	D20-D22 PolarHBondContact O-N 3.21Å; D20-D22 WeakPolarHBondContact OD1-CA 3.34Å; D20-D22 PolarHBondContact OD1-N 3.25Å; D20-G23 PolarHBondContact O-N 3.07Å; D20-G23 PolarHBondContact OD1-N 3.4Å; D20-D24 PolarHBondContact N-O 2.83Å; D20-D24 PolarHBondContact OD1-N 2.81Å; D20-L26 HydrophobicContact CB-CD1 4.06Å; D20-L26 HydrophobicContact CB-CG 4.29Å; D20-F49 WeakPolarHBondContact O-CE2 3.18Å; D20-D74 CarbonylContact C-O 3.52Å; D20-D74 WeakPolarHBondContact CA-O 3.35Å; D20-K111 HydrophobicContact CB-CD 3.97Å; D20-K111 IonicContact OD2-NZ 3.83Å; D20-K111 PolarHBondContact OD2-NZ 2.97Å
21	N	96	Very high	97.1	Very high	86 Å²	86	38 Å²	38	46%	0.46	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.6	-179	-165.4	59.1	0	0	0	115.5	F49 D74 Y76	N21-F49 VanDerWaalsContact O-CZ 3.29Å; N21-F49 WeakPolarHBondContact O-CZ 3.39Å; N21-D74 HydrophobicContact CB-CB 4.3Å; N21-D74 PolarHBondContact N-O 3.03Å; N21-Y76 HydrophobicContact CB-CE2 4.27Å; N21-Y76 PolarHBondContact OD1-OH 3.35Å; N21-Y76 VanDerWaalsContact OD1-OH 3.05Å
22	D	95.9	Very high	97.1	Very high	103 Å²	103	32.8 Å²	32.8	55%	0.551	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-2.8	171.3	-64.8	-58.3	0	0	0	111.5	D20 D24 K46	D20-D22 PolarHBondContact O-N 3.21Å; D20-D22 WeakPolarHBondContact OD1-CA 3.34Å; D20-D22 PolarHBondContact OD1-N 3.25Å; D22-D24 VanDerWaalsContact C-N 3.32Å; D22-K46 PolarHBondContact O-NZ 3.47Å
23	G	96.4	Very high	97.1	Very high	5 Å²	5	39.4 Å²	39.4	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	77.6	18.9	-174.3	0	0	0	0	0	112.9	D20 F49	D20-G23 PolarHBondContact O-N 3.07Å; D20-G23 PolarHBondContact OD1-N 3.4Å; G23-F49 VanDerWaalsContact CA-CD2 3.48Å; G23-F49 VanDerWaalsContact CA-CG 3.43Å
24	D	97.7	Very high	96.8	Very high	96 Å²	96	42.2 Å²	42.2	51%	0.513	22%	0.217	S	C	.	.			trans	-85.9	140.9	174.9	-72.4	-31.9	0	0	0	110.5	L19 D20 D22 L26	L19-D24 CarbonylContact C-O 3.5Å; L19-D24 VanDerWaalsContact CA-O 3.29Å; L19-D24 WeakPolarHBondContact CA-O 3.35Å; D20-D24 PolarHBondContact N-O 2.83Å; D20-D24 PolarHBondContact OD1-N 2.81Å; D22-D24 VanDerWaalsContact C-N 3.32Å; D24-L26 PolarHBondContact O-N 3Å
25	R	97.8	Very high	96.6	Very high	79 Å²	79	41.3 Å²	41.3	30%	0.298	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	124.7	-176.2	-175.1	-163.8	-68.2	-163.6	-6.5	111.5	L19 A28 E45	L19-R25 HydrophobicContact CD2-CB 4.18Å; R25-A28 HydrophobicContact CG-CB 3.94Å; R25-E45 IonicContact CZ-OE1 2.9Å; R25-E45 IonicContact CZ-OE2 3.02Å; R25-E45 VanDerWaalsContact NE-CD 3.29Å; R25-E45 IonicContact NE-OE1 3.55Å; R25-E45 PolarHBondContact NE-OE1 3.48Å; R25-E45 IonicContact NE-OE2 3.73Å; R25-E45 PolarHBondContact NE-OE2 3.3Å; R25-E45 IonicContact NH2-OE1 2.61Å; R25-E45 PolarHBondContact NH2-OE1 3.01Å; R25-E45 IonicContact NH2-OE2 2.66Å; R25-E45 PolarHBondContact NH2-OE2 2.88Å
26	L	97.5	Very high	96.4	Very high	34 Å²	34	45.6 Å²	45.6	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-40.8	163.9	-62.1	171.9	0	0	0	111.1	I18 D20 D24 L75 K111 L115	I18-L26 HydrophobicContact CG2-CD1 4.39Å; I18-L26 WeakPolarHBondContact O-CB 3.5Å; I18-L26 PolarHBondContact O-N 3.41Å; D20-L26 HydrophobicContact CB-CD1 4.06Å; D20-L26 HydrophobicContact CB-CG 4.29Å; D24-L26 PolarHBondContact O-N 3Å; L26-L75 HydrophobicContact CD1-CD2 3.13Å; L26-K111 HydrophobicContact CD1-CG 4.09Å; L26-K111 HydrophobicContact CD2-CD 4.46Å; L26-K111 HydrophobicContact CD2-CG 4.32Å; L26-L115 HydrophobicContact CD2-CD2 4.2Å
27	F	98.3	Very high	96.3	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.048	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	141.6	177.2	176.6	-90.3	0	0	0	110.1	I16 L17 I18 K29 L121 F122 V125	I16-F27 HydrophobicContact CB-CE1 4.41Å; I16-F27 HydrophobicContact CG2-CE1 4.13Å; L17-F27 WeakPolarHBondContact CA-O 3.28Å; I18-F27 HydrophobicContact CB-CB 4.06Å; I18-F27 HydrophobicContact CD1-CB 4.3Å; I18-F27 HydrophobicContact CG1-CB 4.26Å; I18-F27 HydrophobicContact CG1-CD1 4.38Å; I18-F27 PolarHBondContact N-O 3Å; I18-F27 PolarHBondContact O-N 3.13Å; F27-K29 HydrophobicContact CE1-CB 3.79Å; F27-K29 HydrophobicContact CZ-CB 3.68Å; F27-K29 HydrophobicContact CZ-CD 4.29Å; F27-L121 HydrophobicContact CB-CD2 3.8Å; F27-L121 HydrophobicContact CD2-CD2 3.88Å; F27-L121 HydrophobicContact CD2-CG 4.27Å; F27-L121 HydrophobicContact CG-CD2 3.89Å; F27-L121 HydrophobicContact CG-CG 4.49Å; F27-F122 HydrophobicContact CD2-CD1 4.33Å; F27-F122 AromaticContact CD2-CE1 3.88Å; F27-F122 HydrophobicContact CD2-CE1 3.88Å; F27-F122 HydrophobicContact CD2-CZ 4.21Å; F27-F122 AromaticContact CE2-CD1 3.68Å; F27-F122 HydrophobicContact CE2-CD1 3.68Å; F27-F122 AromaticContact CE2-CE1 3.55Å; F27-F122 HydrophobicContact CE2-CE1 3.55Å; F27-F122 HydrophobicContact CE2-CZ 4.32Å; F27-V125 HydrophobicContact CE1-CG1 4.24Å; F27-V125 HydrophobicContact CE1-CG2 3.99Å; F27-V125 HydrophobicContact CZ-CB 4.1Å; F27-V125 HydrophobicContact CZ-CG1 3.87Å; F27-V125 HydrophobicContact CZ-CG2 3.88Å
28	A	98.2	Very high	96.2	Very high	27 Å²	27	51.7 Å²	51.7	22%	0.223	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	129.3	169.4	0	0	0	0	0	109.8	I16 L17 R25 Y30 E45	I16-A28 WeakPolarHBondContact O-CA 3.38Å; L17-A28 HydrophobicContact CD2-CB 3.62Å; R25-A28 HydrophobicContact CG-CB 3.94Å; A28-Y30 HydrophobicContact CB-CD2 4.45Å; A28-Y30 HydrophobicContact CB-CE2 3.96Å; A28-E45 WeakPolarHBondContact CB-OE1 3.47Å
29	K	98	Very high	96.1	Very high	51 Å²	51	60.1 Å²	60.1	22%	0.222	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.7	172.2	-170.3	170.5	178	-162.5	0	108.1	A15 I16 F27 Y31 V125 D126	A15-K29 CarbonylContact C-O 3.52Å; A15-K29 WeakPolarHBondContact CA-O 3.25Å; A15-K29 WeakPolarHBondContact CB-O 3.27Å; I16-K29 PolarHBondContact N-O 3.32Å; I16-K29 PolarHBondContact O-N 2.99Å; F27-K29 HydrophobicContact CE1-CB 3.79Å; F27-K29 HydrophobicContact CZ-CB 3.68Å; F27-K29 HydrophobicContact CZ-CD 4.29Å; K29-Y31 HydrophobicContact CD-CE1 3.85Å; K29-Y31 WeakPolarHBondContact CD-OH 3.29Å; K29-Y31 VanDerWaalsContact CE-CE1 3.43Å; K29-Y31 HydrophobicContact CG-CE1 3.96Å; K29-Y31 HydrophobicContact CG-CE2 4.45Å; K29-V125 HydrophobicContact CD-CG1 3.86Å; K29-D126 IonicContact NZ-OD1 2.88Å; K29-D126 PolarHBondContact NZ-OD1 2.86Å
30	Y	97.8	Very high	96	Very high	37 Å²	37	64.6 Å²	64.6	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.8	175.5	-69.3	-98.7	0	0	0	108	K14 A15 L17 A28 Y35 Q41 F44 E45	K14-Y30 WeakPolarHBondContact O-CA 3.4Å; A15-Y30 HydrophobicContact CB-CD1 3.57Å; A15-Y30 HydrophobicContact CB-CE1 3.8Å; A15-Y30 HydrophobicContact CB-CG 4.03Å; L17-Y30 HydrophobicContact CD2-CE2 3.79Å; A28-Y30 HydrophobicContact CB-CD2 4.45Å; A28-Y30 HydrophobicContact CB-CE2 3.96Å; Y30-Y35 HydrophobicContact CD1-CD2 4.29Å; Y30-Y35 AromaticContact CE1-CD2 3.8Å; Y30-Y35 HydrophobicContact CE1-CD2 3.8Å; Y30-Y35 HydrophobicContact CE1-CG 4.38Å; Y30-Q41 HydrophobicContact CD1-CG 4.44Å; Y30-Q41 VanDerWaalsContact CD2-CD 3.45Å; Y30-Q41 HydrophobicContact CD2-CG 3.92Å; Y30-Q41 HydrophobicContact CE1-CG 4.08Å; Y30-Q41 HydrophobicContact CE2-CB 3.73Å; Y30-Q41 VanDerWaalsContact CE2-CD 3.42Å; Y30-Q41 HydrophobicContact CE2-CG 3.5Å; Y30-Q41 VanDerWaalsContact CE2-CG 3.5Å; Y30-Q41 HydrophobicContact CG-CG 4.37Å; Y30-F44 HydrophobicContact CE1-CD1 4.36Å; Y30-F44 HydrophobicContact CE1-CE1 4.44Å; Y30-E45 PolarHBondContact OH-OE1 2.66Å
31	Y	96.8	Very high	96.1	Very high	38 Å²	38	65.5 Å²	65.5	15%	0.149	34%	0.34	C	S	.	.			trans	-103.9	-3.7	-176	-62.6	-74.1	0	0	0	113.2	V13 K14 I16 K29 V125 V129	V13-Y31 HydrophobicContact CB-CD2 4.37Å; V13-Y31 HydrophobicContact CG1-CD2 3.9Å; V13-Y31 HydrophobicContact CG1-CE2 3.82Å; V13-Y31 WeakPolarHBondContact O-CB 3.28Å; V13-Y31 WeakPolarHBondContact O-CD2 3.44Å; K14-Y31 PolarHBondContact O-N 3.43Å; I16-Y31 HydrophobicContact CD1-CE2 4.17Å; I16-Y31 HydrophobicContact CG1-CE2 4.15Å; K29-Y31 HydrophobicContact CD-CE1 3.85Å; K29-Y31 WeakPolarHBondContact CD-OH 3.29Å; K29-Y31 VanDerWaalsContact CE-CE1 3.43Å; K29-Y31 HydrophobicContact CG-CE1 3.96Å; K29-Y31 HydrophobicContact CG-CE2 4.45Å; Y31-V125 WeakPolarHBondContact OH-CG1 3.35Å; Y31-V129 HydrophobicContact CD1-CG1 4.42Å; Y31-V129 HydrophobicContact CD2-CG1 4.18Å; Y31-V129 HydrophobicContact CE1-CB 4.48Å; Y31-V129 HydrophobicContact CE1-CG1 3.85Å; Y31-V129 HydrophobicContact CE2-CB 4.26Å; Y31-V129 HydrophobicContact CE2-CG1 3.6Å; Y31-V129 VanDerWaalsContact CZ-CG1 3.41Å; Y31-V129 WeakPolarHBondContact OH-CB 3.27Å; Y31-V129 PolarHBondContact OH-O 2.95Å
32	D	93.1	Very high	96.1	Very high	49 Å²	49	67.1 Å²	67.1	26%	0.262	34%	0.343	S	S	.	.	S	Bend	trans	-142.2	175.9	175.2	69.8	27.4	0	0	0	112.2	K14 T34	K14-D32 VanDerWaalsContact CG-OD2 3.31Å; K14-D32 WeakPolarHBondContact CG-OD2 3.47Å; K14-D32 IonicContact NZ-OD2 3.35Å; K14-D32 PolarHBondContact NZ-OD2 3.21Å; D32-T34 VanDerWaalsContact C-N 3.29Å; D32-T34 PolarHBondContact O-N 3.01Å; D32-T34 WeakPolarHBondContact OD1-CB 3.42Å; D32-T34 PolarHBondContact OD1-N 3.47Å; D32-T34 PolarHBondContact OD1-OG1 3.3Å; D32-T34 PolarHBondContact OD2-OG1 3.48Å; D32-T34 VanDerWaalsContact OD2-OG1 3.13Å
33	D	92	Very high	96.2	Very high	145 Å²	145	65.2 Å²	65.2	78%	0.775	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	22.4	-177.7	-61.8	-46.4	0	0	0	113.3	Y35 P36	D33-Y35 PolarHBondContact O-N 3.1Å; D33-P36 WeakPolarHBondContact O-CD 3.38Å
34	T	91.4	Very high	96.2	Very high	63 Å²	63	65.2 Å²	65.2	39%	0.387	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.4	177.2	-54.4	0	0	0	0	111	K14 D32	K14-T34 PolarHBondContact NZ-OG1 3.37Å; D32-T34 VanDerWaalsContact C-N 3.29Å; D32-T34 PolarHBondContact O-N 3.01Å; D32-T34 WeakPolarHBondContact OD1-CB 3.42Å; D32-T34 PolarHBondContact OD1-N 3.47Å; D32-T34 PolarHBondContact OD1-OG1 3.3Å; D32-T34 PolarHBondContact OD2-OG1 3.48Å; D32-T34 VanDerWaalsContact OD2-OG1 3.13Å
35	Y	93.8	Very high	96.2	Very high	31 Å²	31	60.9 Å²	60.9	12%	0.122	32%	0.317	C	S	.	.	S	Bend	trans	-127.6	81.6	175.4	-59.4	-77.2	0	0	0	109.7	Y30 D33 S37 E40 Q41 F44 E63 L65	Y30-Y35 HydrophobicContact CD1-CD2 4.29Å; Y30-Y35 AromaticContact CE1-CD2 3.8Å; Y30-Y35 HydrophobicContact CE1-CD2 3.8Å; Y30-Y35 HydrophobicContact CE1-CG 4.38Å; D33-Y35 PolarHBondContact O-N 3.1Å; Y35-S37 PolarHBondContact O-N 2.93Å; Y35-E40 HydrophobicContact CD1-CB 4.2Å; Y35-Q41 VanDerWaalsContact O-CG 3.31Å; Y35-Q41 WeakPolarHBondContact O-CG 3.29Å; Y35-Q41 PolarHBondContact O-NE2 3.14Å; Y35-F44 HydrophobicContact CD1-CB 4.2Å; Y35-F44 HydrophobicContact CD2-CD1 4.13Å; Y35-F44 HydrophobicContact CD2-CE1 4.32Å; Y35-F44 HydrophobicContact CD2-CG 4.39Å; Y35-F44 HydrophobicContact CE1-CB 3.87Å; Y35-F44 HydrophobicContact CE1-CD2 4.06Å; Y35-F44 AromaticContact CE1-CG 3.96Å; Y35-F44 HydrophobicContact CE1-CG 3.96Å; Y35-F44 HydrophobicContact CE2-CB 4.47Å; Y35-F44 AromaticContact CE2-CD1 3.76Å; Y35-F44 HydrophobicContact CE2-CD1 3.76Å; Y35-F44 AromaticContact CE2-CD2 3.95Å; Y35-F44 HydrophobicContact CE2-CD2 3.95Å; Y35-F44 AromaticContact CE2-CE1 3.74Å; Y35-F44 HydrophobicContact CE2-CE1 3.74Å; Y35-F44 AromaticContact CE2-CE2 3.95Å; Y35-F44 HydrophobicContact CE2-CE2 3.95Å; Y35-F44 AromaticContact CE2-CG 3.81Å; Y35-F44 HydrophobicContact CE2-CG 3.81Å; Y35-F44 AromaticContact CE2-CZ 3.81Å; Y35-F44 HydrophobicContact CE2-CZ 3.81Å; Y35-F44 AromaticContact CZ-CD2 3.44Å; Y35-F44 VanDerWaalsContact CZ-CD2 3.44Å; Y35-F44 AromaticContact CZ-CE2 3.73Å; Y35-F44 AromaticContact CZ-CG 3.57Å; Y35-F44 WeakPolarHBondContact OH-CD2 3.42Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.42Å; Y35-E63 PolarHBondContact OH-OE2 2.8Å; Y35-L65 HydrophobicContact CE2-CD1 3.83Å; Y35-L65 WeakPolarHBondContact OH-CD1 3.45Å
36	P	93	Very high	96.1	Very high	92 Å²	92	61.1 Å²	61.1	60%	0.597	32%	0.32	S	S	*	.			trans	-72.5	-26.6	-168.9	28	-35.2	0	0	0	113.2	D33 E40	D33-P36 WeakPolarHBondContact O-CD 3.38Å; P36-E40 VanDerWaalsContact CD-OE2 3.25Å; P36-E40 WeakPolarHBondContact CD-OE2 3.47Å; P36-E40 WeakPolarHBondContact CG-OE2 3.45Å
37	S	96.5	Very high	96.1	Very high	45 Å²	45	61.8 Å²	61.8	32%	0.315	32%	0.324	S	S	.	.	S	Bend	trans	-101.8	144.8	179.7	74.6	0	0	0	0	112.8	Y35 K39 E40 Q41	Y35-S37 PolarHBondContact O-N 2.93Å; S37-K39 PolarHBondContact O-N 3.38Å; S37-K39 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact CB-OE2 3.32Å; S37-E40 PolarHBondContact N-OE2 3.26Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 VanDerWaalsContact O-N 3.08Å; S37-E40 WeakPolarHBondContact OG-CB 3.42Å; S37-E40 VanDerWaalsContact OG-CG 3.22Å; S37-E40 WeakPolarHBondContact OG-CG 3.19Å; S37-E40 PolarHBondContact OG-N 2.87Å; S37-E40 PolarHBondContact OG-OE2 3.39Å; S37-Q41 WeakPolarHBondContact O-CG 3.21Å; S37-Q41 PolarHBondContact O-N 3.4Å
38	V	96.3	Very high	96	Very high	85 Å²	85	61.3 Å²	61.3	52%	0.515	32%	0.322	S	S	.	.	H	α-helix	trans	-55.9	-31.5	173.5	179.1	0	0	0	0	111.7	K42	V38-K42 HydrophobicContact CG1-CD 4.35Å; V38-K42 HydrophobicContact CG1-CG 4.43Å; V38-K42 WeakPolarHBondContact O-CB 3.15Å; V38-K42 WeakPolarHBondContact O-CG 3.27Å; V38-K42 PolarHBondContact O-N 2.91Å
39	K	97.1	Very high	95.9	Very high	177 Å²	177	60.4 Å²	60.4	77%	0.77	31%	0.313	S	S	*	.	H	α-helix	trans	-65.9	-45.9	177.7	-177.3	-179	175.6	-173.7	0	111.7	S37 A43	S37-K39 PolarHBondContact O-N 3.38Å; S37-K39 VanDerWaalsContact O-N 3.11Å; K39-A43 WeakPolarHBondContact O-CB 3.28Å; K39-A43 PolarHBondContact O-N 3.42Å; K39-A43 VanDerWaalsContact O-N 3.09Å
40	E	96.2	Very high	95.8	Very high	93 Å²	93	62.3 Å²	62.3	44%	0.435	33%	0.326	S	S	.	.	H	α-helix	trans	-67.1	-43.1	177.6	-72.2	157.5	163.1	0	0	111.1	Y35 P36 S37 K42 A43 F44	Y35-E40 HydrophobicContact CD1-CB 4.2Å; P36-E40 VanDerWaalsContact CD-OE2 3.25Å; P36-E40 WeakPolarHBondContact CD-OE2 3.47Å; P36-E40 WeakPolarHBondContact CG-OE2 3.45Å; S37-E40 WeakPolarHBondContact CB-OE2 3.32Å; S37-E40 PolarHBondContact N-OE2 3.26Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 VanDerWaalsContact O-N 3.08Å; S37-E40 WeakPolarHBondContact OG-CB 3.42Å; S37-E40 VanDerWaalsContact OG-CG 3.22Å; S37-E40 WeakPolarHBondContact OG-CG 3.19Å; S37-E40 PolarHBondContact OG-N 2.87Å; S37-E40 PolarHBondContact OG-OE2 3.39Å; E40-K42 PolarHBondContact O-N 3.04Å; E40-A43 PolarHBondContact O-N 3.01Å; E40-F44 WeakPolarHBondContact O-CB 3.46Å; E40-F44 PolarHBondContact O-N 3.25Å
41	Q	97.6	Very high	95.6	Very high	28 Å²	28	65 Å²	65	13%	0.131	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-48.8	175.9	-66.2	174.5	0.5	0	0	111.9	Y30 Y35 S37 A43 F44 E45	Y30-Q41 HydrophobicContact CD1-CG 4.44Å; Y30-Q41 VanDerWaalsContact CD2-CD 3.45Å; Y30-Q41 HydrophobicContact CD2-CG 3.92Å; Y30-Q41 HydrophobicContact CE1-CG 4.08Å; Y30-Q41 HydrophobicContact CE2-CB 3.73Å; Y30-Q41 VanDerWaalsContact CE2-CD 3.42Å; Y30-Q41 HydrophobicContact CE2-CG 3.5Å; Y30-Q41 VanDerWaalsContact CE2-CG 3.5Å; Y30-Q41 HydrophobicContact CG-CG 4.37Å; Y35-Q41 VanDerWaalsContact O-CG 3.31Å; Y35-Q41 WeakPolarHBondContact O-CG 3.29Å; Y35-Q41 PolarHBondContact O-NE2 3.14Å; S37-Q41 WeakPolarHBondContact O-CG 3.21Å; S37-Q41 PolarHBondContact O-N 3.4Å; Q41-A43 VanDerWaalsContact C-N 3.34Å; Q41-A43 PolarHBondContact O-N 3.11Å; Q41-F44 PolarHBondContact O-N 2.87Å; Q41-E45 WeakPolarHBondContact O-CB 3.39Å; Q41-E45 VanDerWaalsContact O-CG 3.27Å; Q41-E45 WeakPolarHBondContact O-CG 3.37Å; Q41-E45 PolarHBondContact O-N 2.9Å
42	K	97.4	Very high	95.5	Very high	121 Å²	121	63.4 Å²	63.4	53%	0.526	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-37.4	177.7	-76	-171.9	174.7	-165.8	0	113	V38 E40 F44 K46	V38-K42 HydrophobicContact CG1-CD 4.35Å; V38-K42 HydrophobicContact CG1-CG 4.43Å; V38-K42 WeakPolarHBondContact O-CB 3.15Å; V38-K42 WeakPolarHBondContact O-CG 3.27Å; V38-K42 PolarHBondContact O-N 2.91Å; E40-K42 PolarHBondContact O-N 3.04Å; K42-F44 VanDerWaalsContact C-N 3.34Å; K42-K46 WeakPolarHBondContact O-CB 3.29Å; K42-K46 PolarHBondContact O-N 3.13Å; K42-K46 VanDerWaalsContact O-N 3.07Å
43	A	96.5	Very high	95.4	Very high	63 Å²	63	63.2 Å²	63.2	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-43	176	0	0	0	0	0	111.2	K39 E40 Q41 N47	K39-A43 WeakPolarHBondContact O-CB 3.28Å; K39-A43 PolarHBondContact O-N 3.42Å; K39-A43 VanDerWaalsContact O-N 3.09Å; E40-A43 PolarHBondContact O-N 3.01Å; Q41-A43 VanDerWaalsContact C-N 3.34Å; Q41-A43 PolarHBondContact O-N 3.11Å; A43-N47 WeakPolarHBondContact O-CB 3.5Å; A43-N47 PolarHBondContact O-N 3.43Å
44	F	97.1	Very high	95.2	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.018	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-46.6	175.9	171.6	-111.7	0	0	0	112.7	L17 Y30 Y35 E40 Q41 K42 K46 N47 I48 L65 I80	L17-F44 HydrophobicContact CD1-CE1 4.44Å; Y30-F44 HydrophobicContact CE1-CD1 4.36Å; Y30-F44 HydrophobicContact CE1-CE1 4.44Å; Y35-F44 HydrophobicContact CD1-CB 4.2Å; Y35-F44 HydrophobicContact CD2-CD1 4.13Å; Y35-F44 HydrophobicContact CD2-CE1 4.32Å; Y35-F44 HydrophobicContact CD2-CG 4.39Å; Y35-F44 HydrophobicContact CE1-CB 3.87Å; Y35-F44 HydrophobicContact CE1-CD2 4.06Å; Y35-F44 AromaticContact CE1-CG 3.96Å; Y35-F44 HydrophobicContact CE1-CG 3.96Å; Y35-F44 HydrophobicContact CE2-CB 4.47Å; Y35-F44 AromaticContact CE2-CD1 3.76Å; Y35-F44 HydrophobicContact CE2-CD1 3.76Å; Y35-F44 AromaticContact CE2-CD2 3.95Å; Y35-F44 HydrophobicContact CE2-CD2 3.95Å; Y35-F44 AromaticContact CE2-CE1 3.74Å; Y35-F44 HydrophobicContact CE2-CE1 3.74Å; Y35-F44 AromaticContact CE2-CE2 3.95Å; Y35-F44 HydrophobicContact CE2-CE2 3.95Å; Y35-F44 AromaticContact CE2-CG 3.81Å; Y35-F44 HydrophobicContact CE2-CG 3.81Å; Y35-F44 AromaticContact CE2-CZ 3.81Å; Y35-F44 HydrophobicContact CE2-CZ 3.81Å; Y35-F44 AromaticContact CZ-CD2 3.44Å; Y35-F44 VanDerWaalsContact CZ-CD2 3.44Å; Y35-F44 AromaticContact CZ-CE2 3.73Å; Y35-F44 AromaticContact CZ-CG 3.57Å; Y35-F44 WeakPolarHBondContact OH-CD2 3.42Å; Y35-F44 WeakPolarHBondContact OH-CE2 3.42Å; E40-F44 WeakPolarHBondContact O-CB 3.46Å; E40-F44 PolarHBondContact O-N 3.25Å; Q41-F44 PolarHBondContact O-N 2.87Å; K42-F44 VanDerWaalsContact C-N 3.34Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.32Å; F44-N47 WeakPolarHBondContact O-CB 3.47Å; F44-N47 PolarHBondContact O-N 3.38Å; F44-I48 HydrophobicContact CD1-CD1 4.01Å; F44-I48 HydrophobicContact CD2-CD1 4.16Å; F44-I48 HydrophobicContact CD2-CG1 4.26Å; F44-I48 HydrophobicContact CE1-CD1 3.38Å; F44-I48 HydrophobicContact CE1-CG1 4.43Å; F44-I48 HydrophobicContact CE2-CD1 3.53Å; F44-I48 HydrophobicContact CE2-CG1 3.89Å; F44-I48 HydrophobicContact CG-CD1 4.4Å; F44-I48 HydrophobicContact CZ-CD1 3.13Å; F44-I48 HydrophobicContact CZ-CG1 4.03Å; F44-I48 PolarHBondContact O-N 3.19Å; F44-L65 HydrophobicContact CE2-CD1 3.86Å; F44-L65 HydrophobicContact CZ-CD1 3.64Å; F44-I80 HydrophobicContact CE1-CD1 3.64Å; F44-I80 HydrophobicContact CZ-CD1 4.02Å; F44-I80 HydrophobicContact CZ-CG2 4.4Å
45	E	97.8	Very high	94.9	Very high	5 Å²	5	66.4 Å²	66.4	2%	0.023	33%	0.331	C	S	.	.	H	α-helix	trans	-53	-48.1	174.3	-77.3	159.8	-165.1	0	0	111.4	L17 L19 R25 A28 Y30 Q41 N47 I48 F49	L17-E45 HydrophobicContact CD1-CG 3.92Å; L17-E45 HydrophobicContact CD2-CG 4.29Å; L19-E45 HydrophobicContact CD1-CB 4.3Å; L19-E45 HydrophobicContact CD2-CB 4.25Å; L19-E45 HydrophobicContact CD2-CG 4.21Å; R25-E45 IonicContact CZ-OE1 2.9Å; R25-E45 IonicContact CZ-OE2 3.02Å; R25-E45 VanDerWaalsContact NE-CD 3.29Å; R25-E45 IonicContact NE-OE1 3.55Å; R25-E45 PolarHBondContact NE-OE1 3.48Å; R25-E45 IonicContact NE-OE2 3.73Å; R25-E45 PolarHBondContact NE-OE2 3.3Å; R25-E45 IonicContact NH2-OE1 2.61Å; R25-E45 PolarHBondContact NH2-OE1 3.01Å; R25-E45 IonicContact NH2-OE2 2.66Å; R25-E45 PolarHBondContact NH2-OE2 2.88Å; A28-E45 WeakPolarHBondContact CB-OE1 3.47Å; Y30-E45 PolarHBondContact OH-OE1 2.66Å; Q41-E45 WeakPolarHBondContact O-CB 3.39Å; Q41-E45 VanDerWaalsContact O-CG 3.27Å; Q41-E45 WeakPolarHBondContact O-CG 3.37Å; Q41-E45 PolarHBondContact O-N 2.9Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.49Å; E45-I48 PolarHBondContact O-N 3.05Å; E45-F49 WeakPolarHBondContact O-CB 3.37Å; E45-F49 PolarHBondContact O-N 3.02Å
46	K	96.8	Very high	94.2	Very high	85 Å²	85	73 Å²	73	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-37.4	178	-164.3	66.7	175.3	-169.1	0	112.1	D22 K42 F44 N50	D22-K46 PolarHBondContact O-NZ 3.47Å; K42-K46 WeakPolarHBondContact O-CB 3.29Å; K42-K46 PolarHBondContact O-N 3.13Å; K42-K46 VanDerWaalsContact O-N 3.07Å; F44-K46 VanDerWaalsContact C-N 3.31Å; F44-K46 PolarHBondContact O-N 3.32Å; K46-N50 WeakPolarHBondContact O-CB 3.17Å; K46-N50 PolarHBondContact O-N 3.45Å; K46-N50 PolarHBondContact O-ND2 2.94Å
47	N	96	Very high	93.6	Very high	48 Å²	48	72 Å²	72	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-65.4	-46.4	177.5	-168	23.1	0	0	0	111.8	A43 F44 E45 K51 E63	A43-N47 WeakPolarHBondContact O-CB 3.5Å; A43-N47 PolarHBondContact O-N 3.43Å; F44-N47 WeakPolarHBondContact O-CB 3.47Å; F44-N47 PolarHBondContact O-N 3.38Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-N47 PolarHBondContact O-N 3.49Å; N47-K51 PolarHBondContact ND2-NZ 2.94Å; N47-K51 WeakPolarHBondContact O-CG 3.45Å; N47-K51 PolarHBondContact O-N 3.37Å; N47-K51 WeakPolarHBondContact OD1-CE 3.43Å; N47-K51 PolarHBondContact OD1-NZ 3.47Å; N47-E63 PolarHBondContact ND2-OE1 2.82Å
48	I	96	Very high	93.2	Very high	1 Å²	1	74.4 Å²	74.4	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-57.5	-56.3	174.5	-72.3	178.3	0	0	0	109	L17 F44 E45 N50 K51 T52 L62 V67 Y78 I80	L17-I48 HydrophobicContact CD1-CD1 4.44Å; F44-I48 HydrophobicContact CD1-CD1 4.01Å; F44-I48 HydrophobicContact CD2-CD1 4.16Å; F44-I48 HydrophobicContact CD2-CG1 4.26Å; F44-I48 HydrophobicContact CE1-CD1 3.38Å; F44-I48 HydrophobicContact CE1-CG1 4.43Å; F44-I48 HydrophobicContact CE2-CD1 3.53Å; F44-I48 HydrophobicContact CE2-CG1 3.89Å; F44-I48 HydrophobicContact CG-CD1 4.4Å; F44-I48 HydrophobicContact CZ-CD1 3.13Å; F44-I48 HydrophobicContact CZ-CG1 4.03Å; F44-I48 PolarHBondContact O-N 3.19Å; E45-I48 PolarHBondContact O-N 3.05Å; I48-N50 VanDerWaalsContact C-N 3.3Å; I48-N50 PolarHBondContact O-N 3.32Å; I48-K51 WeakPolarHBondContact O-CA 3.43Å; I48-K51 PolarHBondContact O-N 3.41Å; I48-T52 HydrophobicContact CG2-CG2 3.99Å; I48-T52 WeakPolarHBondContact O-CG2 3.32Å; I48-T52 PolarHBondContact O-N 2.82Å; I48-T52 PolarHBondContact O-OG1 3.47Å; I48-L62 HydrophobicContact CB-CD1 4.41Å; I48-L62 HydrophobicContact CG1-CD1 3.96Å; I48-L62 HydrophobicContact CG2-CD1 4.42Å; I48-V67 HydrophobicContact CD1-CG1 4.26Å; I48-V67 HydrophobicContact CD1-CG2 4.1Å; I48-V67 HydrophobicContact CG2-CG1 4.21Å; I48-Y78 HydrophobicContact CG2-CD1 3.44Å; I48-Y78 VanDerWaalsContact CG2-CD1 3.44Å; I48-Y78 HydrophobicContact CG2-CE1 3.28Å; I48-Y78 HydrophobicContact CG2-CG 4.25Å; I48-I80 HydrophobicContact CD1-CD1 4.02Å; I48-I80 HydrophobicContact CD1-CG1 4.37Å
49	F	96.8	Very high	93.1	Very high	8 Å²	8	74.2 Å²	74.2	4%	0.035	37%	0.365	C	S	.	.	H	α-helix	trans	-52.3	-48.9	-177.4	179.6	-96.3	0	0	0	112	L19 D20 N21 G23 E45 K51 T52 H53 Y76	L19-F49 HydrophobicContact CD1-CB 3.91Å; L19-F49 HydrophobicContact CD1-CD2 4.32Å; D20-F49 WeakPolarHBondContact O-CE2 3.18Å; N21-F49 VanDerWaalsContact O-CZ 3.29Å; N21-F49 WeakPolarHBondContact O-CZ 3.39Å; G23-F49 VanDerWaalsContact CA-CD2 3.48Å; G23-F49 VanDerWaalsContact CA-CG 3.43Å; E45-F49 WeakPolarHBondContact O-CB 3.37Å; E45-F49 PolarHBondContact O-N 3.02Å; F49-K51 PolarHBondContact O-N 2.88Å; F49-K51 VanDerWaalsContact O-N 3.16Å; F49-T52 PolarHBondContact O-N 3.25Å; F49-H53 HydrophobicContact CD1-CB 4.42Å; F49-H53 HydrophobicContact CD2-CB 4.04Å; F49-H53 HydrophobicContact CE1-CB 4.08Å; F49-H53 AromaticContact CE1-CG 3.86Å; F49-H53 HydrophobicContact CE2-CB 3.67Å; F49-H53 HydrophobicContact CG-CB 4.4Å; F49-H53 HydrophobicContact CZ-CB 3.67Å; F49-H53 AromaticContact CZ-CG 3.88Å; F49-H53 WeakPolarHBondContact O-CB 3.47Å; F49-H53 PolarHBondContact O-N 2.94Å; F49-H53 PolarHBondContact O-ND1 3.22Å; F49-Y76 HydrophobicContact CD2-CD2 4.47Å; F49-Y76 HydrophobicContact CD2-CG 4.41Å; F49-Y76 HydrophobicContact CE2-CD1 4.41Å; F49-Y76 AromaticContact CE2-CD2 3.79Å; F49-Y76 HydrophobicContact CE2-CD2 3.79Å; F49-Y76 HydrophobicContact CE2-CE1 4.42Å; F49-Y76 AromaticContact CE2-CE2 3.85Å; F49-Y76 HydrophobicContact CE2-CE2 3.85Å; F49-Y76 HydrophobicContact CE2-CG 4.09Å
50	N	95.4	Very high	93	Very high	90 Å²	90	66.9 Å²	66.9	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-30.2	179.7	-73.7	-21.9	0	0	0	113.3	K46 I48 H53	K46-N50 WeakPolarHBondContact O-CB 3.17Å; K46-N50 PolarHBondContact O-N 3.45Å; K46-N50 PolarHBondContact O-ND2 2.94Å; I48-N50 VanDerWaalsContact C-N 3.3Å; I48-N50 PolarHBondContact O-N 3.32Å; N50-H53 PolarHBondContact O-CE1 2.87Å; N50-H53 PolarHBondContact O-ND1 2.78Å
51	K	94.1	Very high	92.9	Very high	95 Å²	95	68.1 Å²	68.1	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-87.2	-26.8	179.6	-68.9	178.1	-178.5	168.3	0	113.5	N47 I48 F49 L62	N47-K51 PolarHBondContact ND2-NZ 2.94Å; N47-K51 WeakPolarHBondContact O-CG 3.45Å; N47-K51 PolarHBondContact O-N 3.37Å; N47-K51 WeakPolarHBondContact OD1-CE 3.43Å; N47-K51 PolarHBondContact OD1-NZ 3.47Å; I48-K51 WeakPolarHBondContact O-CA 3.43Å; I48-K51 PolarHBondContact O-N 3.41Å; F49-K51 PolarHBondContact O-N 2.88Å; F49-K51 VanDerWaalsContact O-N 3.16Å; K51-L62 HydrophobicContact CB-CD1 4.35Å; K51-L62 HydrophobicContact CB-CD2 4.47Å; K51-L62 HydrophobicContact CD-CD1 4.19Å; K51-L62 HydrophobicContact CD-CD2 3.48Å; K51-L62 VanDerWaalsContact CD-CD2 3.48Å; K51-L62 HydrophobicContact CD-CG 4.45Å
52	T	94.3	Very high	92.7	Very high	3 Å²	3	67.7 Å²	67.7	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-107.5	-27.9	-170.1	56.1	0	0	0	0	114.4	I48 F49 R54 T55 L62 Y69 Y78	I48-T52 HydrophobicContact CG2-CG2 3.99Å; I48-T52 WeakPolarHBondContact O-CG2 3.32Å; I48-T52 PolarHBondContact O-N 2.82Å; I48-T52 PolarHBondContact O-OG1 3.47Å; F49-T52 PolarHBondContact O-N 3.25Å; T52-R54 PolarHBondContact O-N 2.99Å; T52-T55 WeakPolarHBondContact CA-OG1 3.35Å; T52-T55 PolarHBondContact O-N 3.39Å; T52-T55 VanDerWaalsContact O-N 3.16Å; T52-T55 PolarHBondContact O-OG1 3.23Å; T52-L62 HydrophobicContact CG2-CD1 4.27Å; T52-Y69 HydrophobicContact CG2-CD1 3.91Å; T52-Y69 HydrophobicContact CG2-CD2 4.31Å; T52-Y69 HydrophobicContact CG2-CE1 3.6Å; T52-Y69 HydrophobicContact CG2-CE2 4Å; T52-Y69 HydrophobicContact CG2-CG 4.26Å; T52-Y78 HydrophobicContact CG2-CE1 4.21Å; T52-Y78 WeakPolarHBondContact OG1-CE1 3.47Å; T52-Y78 PolarHBondContact OG1-OH 2.91Å
53	H	91.3	Very high	92.4	Very high	46 Å²	46	67 Å²	67	21%	0.213	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.5	-171.2	75	-66.3	0	0	0	115.3	F49 N50 Y76	F49-H53 HydrophobicContact CD1-CB 4.42Å; F49-H53 HydrophobicContact CD2-CB 4.04Å; F49-H53 HydrophobicContact CE1-CB 4.08Å; F49-H53 AromaticContact CE1-CG 3.86Å; F49-H53 HydrophobicContact CE2-CB 3.67Å; F49-H53 HydrophobicContact CG-CB 4.4Å; F49-H53 HydrophobicContact CZ-CB 3.67Å; F49-H53 AromaticContact CZ-CG 3.88Å; F49-H53 WeakPolarHBondContact O-CB 3.47Å; F49-H53 PolarHBondContact O-N 2.94Å; F49-H53 PolarHBondContact O-ND1 3.22Å; N50-H53 PolarHBondContact O-CE1 2.87Å; N50-H53 PolarHBondContact O-ND1 2.78Å; H53-Y76 HydrophobicContact CB-CD1 4.43Å; H53-Y76 HydrophobicContact CB-CE1 3.79Å
54	R	87.6	Confident	92.2	Very high	214 Å²	214	66 Å²	66	81%	0.808	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	9.7	-179.9	-62.3	-178.5	-172.1	-174.7	-0.7	113.6	T52	T52-R54 PolarHBondContact O-N 2.99Å
55	T	85	Confident	92.2	Very high	61 Å²	61	66.4 Å²	66.4	37%	0.374	34%	0.342	S	S	.	.			trans	-112.2	136.4	-177.2	53.2	0	0	0	0	109.4	T52 S57 Y69	T52-T55 WeakPolarHBondContact CA-OG1 3.35Å; T52-T55 PolarHBondContact O-N 3.39Å; T52-T55 VanDerWaalsContact O-N 3.16Å; T52-T55 PolarHBondContact O-OG1 3.23Å; T55-S57 PolarHBondContact O-N 2.9Å; T55-Y69 PolarHBondContact OG1-OH 2.99Å
56	D	78.7	Confident	92.1	Very high	170 Å²	170	66.4 Å²	66.4	91%	0.909	34%	0.342	S	S	*	.			trans	-79.8	2.9	175.1	-62	-32.2	0	0	0	112.7
57	S	80.2	Confident	92.2	Very high	71 Å²	71	62.4 Å²	62.4	50%	0.497	33%	0.325	S	S	.	.			trans	-72.3	149.2	175.4	-61.1	0	0	0	0	110.5	T55 Y69	T55-S57 PolarHBondContact O-N 2.9Å; S57-Y69 WeakPolarHBondContact CB-OH 3.38Å; S57-Y69 WeakPolarHBondContact O-CE2 3.32Å; S57-Y69 PolarHBondContact O-OH 2.76Å
58	E	89.5	Confident	92.2	Very high	95 Å²	95	60.1 Å²	60.1	44%	0.444	31%	0.312	S	S	.	.	S	Bend	trans	-102.4	-4.8	174.8	-61.8	-173.7	143.3	0	0	112.3	V68 Y69 M91	E58-V68 CarbonylContact O-C 3.43Å; E58-V68 VanDerWaalsContact O-CA 3.23Å; E58-V68 WeakPolarHBondContact O-CA 3.34Å; E58-Y69 WeakPolarHBondContact CA-O 3.13Å; E58-Y69 PolarHBondContact O-N 3.27Å; E58-M91 HydrophobicContact CB-CE 4.43Å; E58-M91 WeakPolarHBondContact OE2-CE 3.35Å
59	I	94.4	Very high	92.3	Very high	81 Å²	81	60.7 Å²	60.7	42%	0.415	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.8	-173	-48.8	176.4	0	0	0	109.2	V67 V68 E87	I59-V67 CarbonylContact C-O 3.57Å; I59-V67 WeakPolarHBondContact CA-O 3.34Å; I59-V68 HydrophobicContact CG1-CG1 4.1Å; I59-V68 HydrophobicContact CG2-CG1 4.3Å; I59-E87 HydrophobicContact CD1-CB 4.09Å; I59-E87 HydrophobicContact CG2-CG 4.03Å
60	A	94.8	Very high	92.3	Very high	22 Å²	22	62.7 Å²	62.7	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.8	173.8	0	0	0	0	0	111.3	L62 V67 Y69	A60-L62 HydrophobicContact CB-CD1 4.26Å; A60-L62 HydrophobicContact CB-CD2 4.4Å; A60-L62 HydrophobicContact CB-CG 4Å; A60-V67 PolarHBondContact N-O 2.91Å; A60-V67 PolarHBondContact O-N 3.4Å; A60-Y69 HydrophobicContact CB-CE1 3.97Å
61	L	94.5	Very high	92.2	Very high	119 Å²	119	62 Å²	62	62%	0.623	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	109	168.8	-176.8	70.6	0	0	0	108.9	L65	L61-L65 CarbonylContact C-O 3.52Å; L61-L65 WeakPolarHBondContact CA-O 3.47Å
62	L	93	Very high	92.2	Very high	20 Å²	20	58.5 Å²	58.5	11%	0.105	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.7	-174.8	-61.1	-179.1	0	0	0	110	I48 K51 T52 A60 G64 L65 V67	I48-L62 HydrophobicContact CB-CD1 4.41Å; I48-L62 HydrophobicContact CG1-CD1 3.96Å; I48-L62 HydrophobicContact CG2-CD1 4.42Å; K51-L62 HydrophobicContact CB-CD1 4.35Å; K51-L62 HydrophobicContact CB-CD2 4.47Å; K51-L62 HydrophobicContact CD-CD1 4.19Å; K51-L62 HydrophobicContact CD-CD2 3.48Å; K51-L62 VanDerWaalsContact CD-CD2 3.48Å; K51-L62 HydrophobicContact CD-CG 4.45Å; T52-L62 HydrophobicContact CG2-CD1 4.27Å; A60-L62 HydrophobicContact CB-CD1 4.26Å; A60-L62 HydrophobicContact CB-CD2 4.4Å; A60-L62 HydrophobicContact CB-CG 4Å; L62-G64 PolarHBondContact O-N 2.84Å; L62-G64 VanDerWaalsContact O-N 3.13Å; L62-L65 PolarHBondContact N-O 3.08Å; L62-L65 WeakPolarHBondContact O-CA 3.11Å; L62-L65 VanDerWaalsContact O-CB 3.3Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 3.24Å; L62-V67 HydrophobicContact CB-CG2 4.2Å; L62-V67 HydrophobicContact CD1-CG2 4.32Å; L62-V67 HydrophobicContact CG-CG2 4.45Å
63	E	91	Very high	92.2	Very high	105 Å²	105	63.8 Å²	63.8	49%	0.491	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	28.3	178.9	-59.2	-178	-167.5	0	0	114.2	Y35 N47 L65	Y35-E63 PolarHBondContact OH-OE2 2.8Å; N47-E63 PolarHBondContact ND2-OE1 2.82Å; E63-L65 VanDerWaalsContact C-N 3.25Å; E63-L65 PolarHBondContact O-N 3.41Å
64	G	92.9	Very high	92.5	Very high	44 Å²	44	63.9 Å²	63.9	45%	0.454	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	17.3	-174.4	0	0	0	0	0	113.6	L62 S83	L62-G64 PolarHBondContact O-N 2.84Å; L62-G64 VanDerWaalsContact O-N 3.13Å; G64-S83 VanDerWaalsContact O-CB 3.24Å; G64-S83 WeakPolarHBondContact O-CB 3.24Å; G64-S83 PolarHBondContact O-N 3.46Å
65	L	96.3	Very high	92.9	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.8	175.2	-59.5	172.3	0	0	0	109.9	K14 Y35 F44 L61 L62 E63 I80 G81	K14-L65 HydrophobicContact CD-CD2 3.61Å; Y35-L65 HydrophobicContact CE2-CD1 3.83Å; Y35-L65 WeakPolarHBondContact OH-CD1 3.45Å; F44-L65 HydrophobicContact CE2-CD1 3.86Å; F44-L65 HydrophobicContact CZ-CD1 3.64Å; L61-L65 CarbonylContact C-O 3.52Å; L61-L65 WeakPolarHBondContact CA-O 3.47Å; L62-L65 PolarHBondContact N-O 3.08Å; L62-L65 WeakPolarHBondContact O-CA 3.11Å; L62-L65 VanDerWaalsContact O-CB 3.3Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 3.24Å; E63-L65 VanDerWaalsContact C-N 3.25Å; E63-L65 PolarHBondContact O-N 3.41Å; L65-I80 HydrophobicContact CB-CG2 3.94Å; L65-I80 HydrophobicContact CD1-CG2 4Å; L65-I80 HydrophobicContact CG-CG2 4.39Å; L65-G81 WeakPolarHBondContact CA-O 3.44Å
66	T	96.5	Very high	93.5	Very high	5 Å²	5	52 Å²	52	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.1	171.8	-65.9	0	0	0	0	108	I80 G81 S82 E87 L90	T66-I80 WeakPolarHBondContact O-CA 3.19Å; T66-G81 PolarHBondContact N-O 3.33Å; T66-G81 PolarHBondContact O-N 3.03Å; T66-S82 WeakPolarHBondContact CB-O 3.26Å; T66-S82 PolarHBondContact OG1-O 2.97Å; T66-S82 VanDerWaalsContact OG1-O 3.11Å; T66-E87 HydrophobicContact CG2-CB 4.49Å; T66-E87 HydrophobicContact CG2-CG 3.65Å; T66-L90 HydrophobicContact CG2-CD1 3.6Å
67	V	97.4	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.2	-178.9	-173.5	0	0	0	0	108.3	I48 I59 A60 L62 Y69 Y78 I80	I48-V67 HydrophobicContact CD1-CG1 4.26Å; I48-V67 HydrophobicContact CD1-CG2 4.1Å; I48-V67 HydrophobicContact CG2-CG1 4.21Å; I59-V67 CarbonylContact C-O 3.57Å; I59-V67 WeakPolarHBondContact CA-O 3.34Å; A60-V67 PolarHBondContact N-O 2.91Å; A60-V67 PolarHBondContact O-N 3.4Å; L62-V67 HydrophobicContact CB-CG2 4.2Å; L62-V67 HydrophobicContact CD1-CG2 4.32Å; L62-V67 HydrophobicContact CG-CG2 4.45Å; V67-Y69 HydrophobicContact CG1-CD1 4.38Å; V67-Y78 HydrophobicContact CG1-CD1 3.88Å; V67-I80 HydrophobicContact CG1-CG1 4.14Å; V67-I80 HydrophobicContact CG2-CG1 4.15Å
68	V	97.8	Very high	95.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.2	167.5	-55	0	0	0	0	109.1	E58 I59 Y78 V79 L90 M91 L94	E58-V68 CarbonylContact O-C 3.43Å; E58-V68 VanDerWaalsContact O-CA 3.23Å; E58-V68 WeakPolarHBondContact O-CA 3.34Å; I59-V68 HydrophobicContact CG1-CG1 4.1Å; I59-V68 HydrophobicContact CG2-CG1 4.3Å; V68-Y78 WeakPolarHBondContact O-CA 3.12Å; V68-V79 HydrophobicContact CG2-CB 3.72Å; V68-V79 WeakPolarHBondContact CG2-O 3.35Å; V68-V79 PolarHBondContact N-O 3.43Å; V68-V79 PolarHBondContact O-N 3.27Å; V68-L90 HydrophobicContact CB-CB 4.48Å; V68-L90 HydrophobicContact CG1-CB 3.93Å; V68-L90 HydrophobicContact CG1-CD1 4.5Å; V68-L90 HydrophobicContact CG2-CB 3.66Å; V68-M91 HydrophobicContact CB-SD 4.28Å; V68-L94 HydrophobicContact CB-CD2 4.34Å; V68-L94 HydrophobicContact CG2-CB 4.13Å; V68-L94 HydrophobicContact CG2-CD2 4.07Å
69	Y	97.5	Very high	95.7	Very high	13 Å²	13	36.1 Å²	36.1	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.3	-173.2	61.8	-82.6	0	0	0	113.5	T52 T55 S57 E58 A60 V67 F77 Y78	T52-Y69 HydrophobicContact CG2-CD1 3.91Å; T52-Y69 HydrophobicContact CG2-CD2 4.31Å; T52-Y69 HydrophobicContact CG2-CE1 3.6Å; T52-Y69 HydrophobicContact CG2-CE2 4Å; T52-Y69 HydrophobicContact CG2-CG 4.26Å; T55-Y69 PolarHBondContact OG1-OH 2.99Å; S57-Y69 WeakPolarHBondContact CB-OH 3.38Å; S57-Y69 WeakPolarHBondContact O-CE2 3.32Å; S57-Y69 PolarHBondContact O-OH 2.76Å; E58-Y69 WeakPolarHBondContact CA-O 3.13Å; E58-Y69 PolarHBondContact O-N 3.27Å; A60-Y69 HydrophobicContact CB-CE1 3.97Å; V67-Y69 HydrophobicContact CG1-CD1 4.38Å; Y69-F77 WeakPolarHBondContact CA-O 3.47Å; Y69-F77 VanDerWaalsContact CB-O 3.23Å; Y69-F77 WeakPolarHBondContact CB-O 3.23Å; Y69-Y78 HydrophobicContact CD2-CE1 4.35Å; Y69-Y78 HydrophobicContact CG-CD1 4.15Å; Y69-Y78 AromaticContact CG-CE1 3.93Å; Y69-Y78 HydrophobicContact CG-CE1 3.93Å
70	K	96	Very high	95.9	Very high	51 Å²	51	32.4 Å²	32.4	22%	0.222	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	144.2	177.6	178.7	169.3	-74.1	172.1	0	109.3	F77 L94 N95	K70-F77 PolarHBondContact N-O 3.47Å; K70-F77 PolarHBondContact O-N 3.01Å; K70-L94 HydrophobicContact CB-CD2 3.99Å; K70-N95 PolarHBondContact NZ-OD1 2.82Å
71	S	94.4	Very high	96	Very high	76 Å²	76	31.3 Å²	31.3	53%	0.531	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	153.7	173.1	59.9	0	0	0	0	111.5	L75	S71-L75 CarbonylContact C-O 3.17Å; S71-L75 VanDerWaalsContact CA-O 3.26Å; S71-L75 WeakPolarHBondContact CA-O 3.44Å
72	S	94.3	Very high	96	Very high	20 Å²	20	26.7 Å²	26.7	14%	0.14	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	117.4	171.7	176.4	0	0	0	0	109.4	D74 L75 V109	S72-D74 PolarHBondContact O-N 3.3Å; S72-L75 PolarHBondContact N-O 3.44Å; S72-L75 WeakPolarHBondContact O-CB 3.24Å; S72-L75 PolarHBondContact O-N 2.88Å; S72-V109 PolarHBondContact OG-O 2.92Å
73	I	94.3	Very high	96	Very high	115 Å²	115	28 Å²	28	59%	0.59	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	-92.3	179.7	-54.9	171.6	0	0	0	111.4	E110	I73-E110 HydrophobicContact CB-CB 4.18Å; I73-E110 HydrophobicContact CD1-CB 3.85Å; I73-E110 HydrophobicContact CG2-CB 4.05Å
74	D	95.8	Very high	96	Very high	48 Å²	48	31.1 Å²	31.1	26%	0.257	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	15.4	-178.4	62.7	-9.8	0	0	0	113	D20 N21 S72 E110 K111	D20-D74 CarbonylContact C-O 3.52Å; D20-D74 WeakPolarHBondContact CA-O 3.35Å; N21-D74 HydrophobicContact CB-CB 4.3Å; N21-D74 PolarHBondContact N-O 3.03Å; S72-D74 PolarHBondContact O-N 3.3Å; D74-E110 WeakPolarHBondContact OD1-CA 3.47Å; D74-K111 PolarHBondContact OD1-N 2.93Å; D74-K111 WeakPolarHBondContact OD2-CB 3.36Å
75	L	97.1	Very high	96	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.4	179.9	-66.8	176.5	0	0	0	112.1	I18 L19 L26 S71 S72 F77 V109 E110 K111 L114	I18-L75 HydrophobicContact CG2-CD2 4.05Å; L19-L75 WeakPolarHBondContact O-CA 3.44Å; L26-L75 HydrophobicContact CD1-CD2 3.13Å; S71-L75 CarbonylContact C-O 3.17Å; S71-L75 VanDerWaalsContact CA-O 3.26Å; S71-L75 WeakPolarHBondContact CA-O 3.44Å; S72-L75 PolarHBondContact N-O 3.44Å; S72-L75 WeakPolarHBondContact O-CB 3.24Å; S72-L75 PolarHBondContact O-N 2.88Å; L75-F77 HydrophobicContact CB-CD2 4.42Å; L75-F77 HydrophobicContact CB-CE2 3.72Å; L75-F77 HydrophobicContact CB-CZ 4.29Å; L75-F77 HydrophobicContact CD1-CE2 4.21Å; L75-F77 HydrophobicContact CD1-CZ 4.02Å; L75-V109 HydrophobicContact CD1-CG1 4.04Å; L75-E110 VanDerWaalsContact CD1-C 3.49Å; L75-K111 HydrophobicContact CD2-CB 4.04Å; L75-K111 HydrophobicContact CG-CB 4.48Å; L75-L114 HydrophobicContact CD1-CB 4.17Å; L75-L114 HydrophobicContact CD1-CD2 3.82Å; L75-L114 HydrophobicContact CD2-CD2 4.22Å
76	Y	97.4	Very high	95.8	Very high	26 Å²	26	33.7 Å²	33.7	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.7	175.4	-64.1	-102.1	0	0	0	109.7	I18 L19 N21 F49 H53 Y78	I18-Y76 WeakPolarHBondContact CA-O 3.48Å; L19-Y76 PolarHBondContact N-O 3.49Å; L19-Y76 PolarHBondContact O-N 3.36Å; N21-Y76 HydrophobicContact CB-CE2 4.27Å; N21-Y76 PolarHBondContact OD1-OH 3.35Å; N21-Y76 VanDerWaalsContact OD1-OH 3.05Å; F49-Y76 HydrophobicContact CD2-CD2 4.47Å; F49-Y76 HydrophobicContact CD2-CG 4.41Å; F49-Y76 HydrophobicContact CE2-CD1 4.41Å; F49-Y76 AromaticContact CE2-CD2 3.79Å; F49-Y76 HydrophobicContact CE2-CD2 3.79Å; F49-Y76 HydrophobicContact CE2-CE1 4.42Å; F49-Y76 AromaticContact CE2-CE2 3.85Å; F49-Y76 HydrophobicContact CE2-CE2 3.85Å; F49-Y76 HydrophobicContact CE2-CG 4.09Å; H53-Y76 HydrophobicContact CB-CD1 4.43Å; H53-Y76 HydrophobicContact CB-CE1 3.79Å; Y76-Y78 VanDerWaalsContact CB-CE2 3.47Å; Y76-Y78 WeakPolarHBondContact CB-OH 3.17Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.26Å; Y76-Y78 WeakPolarHBondContact O-CE2 3.43Å
77	F	98.1	Very high	95.7	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	136	-178.7	-63.4	-99.3	0	0	0	109.6	I18 Y69 K70 L75 L94 L97 F98 L101 V109	I18-F77 HydrophobicContact CD1-CD1 3.81Å; I18-F77 HydrophobicContact CD1-CE1 3.55Å; I18-F77 HydrophobicContact CG1-CD1 3.73Å; I18-F77 HydrophobicContact CG1-CE1 3.94Å; I18-F77 HydrophobicContact CG2-CD1 4.4Å; I18-F77 HydrophobicContact CG2-CE1 4.21Å; I18-F77 HydrophobicContact CG2-CZ 4.43Å; Y69-F77 WeakPolarHBondContact CA-O 3.47Å; Y69-F77 VanDerWaalsContact CB-O 3.23Å; Y69-F77 WeakPolarHBondContact CB-O 3.23Å; K70-F77 PolarHBondContact N-O 3.47Å; K70-F77 PolarHBondContact O-N 3.01Å; L75-F77 HydrophobicContact CB-CD2 4.42Å; L75-F77 HydrophobicContact CB-CE2 3.72Å; L75-F77 HydrophobicContact CB-CZ 4.29Å; L75-F77 HydrophobicContact CD1-CE2 4.21Å; L75-F77 HydrophobicContact CD1-CZ 4.02Å; F77-L94 HydrophobicContact CB-CD1 3.54Å; F77-L97 HydrophobicContact CD1-CD2 4.27Å; F77-F98 HydrophobicContact CD2-CD2 4.19Å; F77-F98 AromaticContact CE2-CD2 3.94Å; F77-F98 HydrophobicContact CE2-CD2 3.94Å; F77-F98 HydrophobicContact CE2-CE2 4.14Å; F77-F98 HydrophobicContact CZ-CD2 4.22Å; F77-L101 HydrophobicContact CE1-CD1 3.63Å; F77-L101 HydrophobicContact CZ-CD1 4.25Å; F77-V109 HydrophobicContact CE2-CG1 3.99Å; F77-V109 HydrophobicContact CZ-CG1 3.6Å
78	Y	98.2	Very high	95.6	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136	179.1	-56.4	-90.3	0	0	0	110.5	I16 L17 L19 I48 T52 V67 V68 Y69 Y76	I16-Y78 WeakPolarHBondContact CA-O 3.48Å; L17-Y78 HydrophobicContact CB-CD2 4.22Å; L17-Y78 PolarHBondContact N-O 2.76Å; L17-Y78 PolarHBondContact O-N 3.31Å; L19-Y78 HydrophobicContact CB-CE2 4.33Å; L19-Y78 HydrophobicContact CD1-CD2 4.32Å; L19-Y78 HydrophobicContact CD1-CE2 3.77Å; L19-Y78 HydrophobicContact CG-CD2 4.26Å; L19-Y78 HydrophobicContact CG-CE2 3.95Å; I48-Y78 HydrophobicContact CG2-CD1 3.44Å; I48-Y78 VanDerWaalsContact CG2-CD1 3.44Å; I48-Y78 HydrophobicContact CG2-CE1 3.28Å; I48-Y78 HydrophobicContact CG2-CG 4.25Å; T52-Y78 HydrophobicContact CG2-CE1 4.21Å; T52-Y78 WeakPolarHBondContact OG1-CE1 3.47Å; T52-Y78 PolarHBondContact OG1-OH 2.91Å; V67-Y78 HydrophobicContact CG1-CD1 3.88Å; V68-Y78 WeakPolarHBondContact O-CA 3.12Å; Y69-Y78 HydrophobicContact CD2-CE1 4.35Å; Y69-Y78 HydrophobicContact CG-CD1 4.15Å; Y69-Y78 AromaticContact CG-CE1 3.93Å; Y69-Y78 HydrophobicContact CG-CE1 3.93Å; Y76-Y78 VanDerWaalsContact CB-CE2 3.47Å; Y76-Y78 WeakPolarHBondContact CB-OH 3.17Å; Y76-Y78 WeakPolarHBondContact O-CD2 3.26Å; Y76-Y78 WeakPolarHBondContact O-CE2 3.43Å
79	V	98.3	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.1	165.6	-178.6	0	0	0	0	107.6	V13 I16 V68 L90 V93 L94	V13-V79 HydrophobicContact CG1-CG1 3.99Å; V13-V79 HydrophobicContact CG2-CG1 4.36Å; I16-V79 HydrophobicContact CG1-CG2 4.35Å; V68-V79 HydrophobicContact CG2-CB 3.72Å; V68-V79 WeakPolarHBondContact CG2-O 3.35Å; V68-V79 PolarHBondContact N-O 3.43Å; V68-V79 PolarHBondContact O-N 3.27Å; V79-L90 HydrophobicContact CG1-CB 4.27Å; V79-L90 HydrophobicContact CG1-CD2 4.06Å; V79-V93 HydrophobicContact CG1-CB 4.25Å; V79-V93 HydrophobicContact CG1-CG1 4.03Å; V79-V93 HydrophobicContact CG2-CB 4.49Å; V79-V93 HydrophobicContact CG2-CG1 4.03Å; V79-L94 HydrophobicContact CB-CB 4.45Å; V79-L94 HydrophobicContact CG2-CB 3.79Å; V79-L94 HydrophobicContact CG2-CD1 4.05Å
80	I	97.9	Very high	95.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	-171	-61.6	146.1	0	0	0	109.1	K14 A15 L17 F44 I48 L65 T66 V67	K14-I80 HydrophobicContact CB-CG2 4.4Å; K14-I80 PolarHBondContact N-O 3.05Å; A15-I80 HydrophobicContact CB-CB 4.34Å; A15-I80 HydrophobicContact CB-CD1 3.84Å; A15-I80 PolarHBondContact N-O 3.22Å; A15-I80 PolarHBondContact O-N 3.48Å; L17-I80 HydrophobicContact CD1-CD1 3.43Å; L17-I80 VanDerWaalsContact CD1-CD1 3.43Å; L17-I80 HydrophobicContact CG-CD1 3.87Å; F44-I80 HydrophobicContact CE1-CD1 3.64Å; F44-I80 HydrophobicContact CZ-CD1 4.02Å; F44-I80 HydrophobicContact CZ-CG2 4.4Å; I48-I80 HydrophobicContact CD1-CD1 4.02Å; I48-I80 HydrophobicContact CD1-CG1 4.37Å; L65-I80 HydrophobicContact CB-CG2 3.94Å; L65-I80 HydrophobicContact CD1-CG2 4Å; L65-I80 HydrophobicContact CG-CG2 4.39Å; T66-I80 WeakPolarHBondContact O-CA 3.19Å; V67-I80 HydrophobicContact CG1-CG1 4.14Å; V67-I80 HydrophobicContact CG2-CG1 4.15Å
81	G	97	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	176.9	172	0	0	0	0	0	111.9	L65 T66	L65-G81 WeakPolarHBondContact CA-O 3.44Å; T66-G81 PolarHBondContact N-O 3.33Å; T66-G81 PolarHBondContact O-N 3.03Å
82	S	94.5	Very high	95.7	Very high	21 Å²	21	44.3 Å²	44.3	15%	0.147	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	161.4	169	88	0	0	0	0	111.6	T66 Y84 E85	T66-S82 WeakPolarHBondContact CB-O 3.26Å; T66-S82 PolarHBondContact OG1-O 2.97Å; T66-S82 VanDerWaalsContact OG1-O 3.11Å; S82-Y84 PolarHBondContact O-N 3.06Å; S82-Y84 PolarHBondContact OG-N 3.31Å; S82-E85 VanDerWaalsContact N-CG 3.28Å; S82-E85 PolarHBondContact O-N 3.34Å; S82-E85 VanDerWaalsContact O-N 3.11Å; S82-E85 WeakPolarHBondContact OG-CG 3.23Å; S82-E85 PolarHBondContact OG-N 3.19Å; S82-E85 PolarHBondContact OG-OE1 3.4Å
83	S	93.2	Very high	95.9	Very high	47 Å²	47	43.4 Å²	43.4	33%	0.329	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.1	174.6	54.9	0	0	0	0	114.8	G64	G64-S83 VanDerWaalsContact O-CB 3.24Å; G64-S83 WeakPolarHBondContact O-CB 3.24Å; G64-S83 PolarHBondContact O-N 3.46Å
84	Y	91.3	Very high	96.1	Very high	172 Å²	172	38 Å²	38	68%	0.675	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-3.7	-178.5	-52.5	-76	0	0	0	112.4	L6 S82	L6-Y84 HydrophobicContact CD2-CG 4.41Å; S82-Y84 PolarHBondContact O-N 3.06Å; S82-Y84 PolarHBondContact OG-N 3.31Å
85	E	92.2	Very high	96.2	Very high	33 Å²	33	37.9 Å²	37.9	15%	0.154	19%	0.194	C	C	.	.	S	Bend	trans	-70.9	147.9	177.6	-60.7	-48.9	139	0	0	111.2	T12 S82 E87 L90	T12-E85 HydrophobicContact CG2-CB 4.41Å; T12-E85 HydrophobicContact CG2-CG 4.3Å; T12-E85 WeakPolarHBondContact CG2-OE2 3.28Å; T12-E85 WeakPolarHBondContact O-CG 3.48Å; S82-E85 VanDerWaalsContact N-CG 3.28Å; S82-E85 PolarHBondContact O-N 3.34Å; S82-E85 VanDerWaalsContact O-N 3.11Å; S82-E85 WeakPolarHBondContact OG-CG 3.23Å; S82-E85 PolarHBondContact OG-N 3.19Å; S82-E85 PolarHBondContact OG-OE1 3.4Å; E85-E87 PolarHBondContact O-N 3.43Å; E85-L90 HydrophobicContact CB-CD1 4.22Å; E85-L90 HydrophobicContact CB-CG 4.47Å
86	N	92.6	Very high	96.2	Very high	77 Å²	77	38 Å²	38	41%	0.412	19%	0.194	S	C	.	.			trans	-70.6	117.1	174.1	-171.5	-48.2	0	0	0	110.3	L88 M89 L90	N86-L88 PolarHBondContact O-N 2.83Å; N86-L88 WeakPolarHBondContact OD1-CA 3.48Å; N86-L88 WeakPolarHBondContact OD1-CB 2.88Å; N86-L88 PolarHBondContact OD1-N 3.1Å; N86-M89 HydrophobicContact CB-CB 4.32Å; N86-M89 HydrophobicContact CB-CG 3.99Å; N86-M89 HydrophobicContact CB-SD 4.05Å; N86-M89 WeakPolarHBondContact O-CB 3.46Å; N86-M89 PolarHBondContact O-N 3.12Å; N86-M89 PolarHBondContact OD1-N 2.95Å; N86-L90 PolarHBondContact O-N 3.49Å
87	E	94.7	Very high	96.3	Very high	83 Å²	83	36.9 Å²	36.9	39%	0.388	19%	0.19	S	C	.	.	H	α-helix	trans	-59.6	-33.1	-179.1	-58.7	82.4	170.7	0	0	112.1	I59 T66 E85 M89 L90 M91	I59-E87 HydrophobicContact CD1-CB 4.09Å; I59-E87 HydrophobicContact CG2-CG 4.03Å; T66-E87 HydrophobicContact CG2-CB 4.49Å; T66-E87 HydrophobicContact CG2-CG 3.65Å; E85-E87 PolarHBondContact O-N 3.43Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 3.42Å; E87-L90 PolarHBondContact O-N 3.24Å; E87-M91 VanDerWaalsContact O-CB 3.26Å; E87-M91 WeakPolarHBondContact O-CB 3.32Å; E87-M91 PolarHBondContact O-N 3.17Å
88	L	95.2	Very high	96.3	Very high	133 Å²	133	38.4 Å²	38.4	70%	0.696	20%	0.197	S	C	*	.	H	α-helix	trans	-67.4	-33.4	178.1	-58.2	174.6	0	0	0	111.6	N86 M91 A92	N86-L88 PolarHBondContact O-N 2.83Å; N86-L88 WeakPolarHBondContact OD1-CA 3.48Å; N86-L88 WeakPolarHBondContact OD1-CB 2.88Å; N86-L88 PolarHBondContact OD1-N 3.1Å; L88-M91 PolarHBondContact O-N 3.25Å; L88-A92 WeakPolarHBondContact O-CB 3.5Å; L88-A92 PolarHBondContact O-N 3.24Å
89	M	95.4	Very high	96.3	Very high	88 Å²	88	41.7 Å²	41.7	43%	0.433	21%	0.214	S	C	.	.	H	α-helix	trans	-68.7	-44.6	174.4	-68.5	-179.1	62.8	0	0	111	T12 N86 E87 M91 A92 V93 I134	T12-M89 HydrophobicContact CG2-CB 4.41Å; T12-M89 HydrophobicContact CG2-CE 4.28Å; N86-M89 HydrophobicContact CB-CB 4.32Å; N86-M89 HydrophobicContact CB-CG 3.99Å; N86-M89 HydrophobicContact CB-SD 4.05Å; N86-M89 WeakPolarHBondContact O-CB 3.46Å; N86-M89 PolarHBondContact O-N 3.12Å; N86-M89 PolarHBondContact OD1-N 2.95Å; E87-M89 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 3.42Å; M89-M91 VanDerWaalsContact C-N 3.29Å; M89-M91 PolarHBondContact O-N 2.93Å; M89-A92 WeakPolarHBondContact O-CB 3.39Å; M89-A92 PolarHBondContact O-N 2.93Å; M89-V93 PolarHBondContact O-N 3.43Å; M89-I134 HydrophobicContact CB-CD1 4.42Å; M89-I134 HydrophobicContact CE-CD1 4.11Å
90	L	97.8	Very high	96.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-39.7	174.7	-59	177.2	0	0	0	111.1	T12 V13 T66 V68 V79 E85 N86 E87 A92 V93 L94	T12-L90 HydrophobicContact CG2-CD2 3.94Å; V13-L90 HydrophobicContact CG2-CD2 4.24Å; T66-L90 HydrophobicContact CG2-CD1 3.6Å; V68-L90 HydrophobicContact CB-CB 4.48Å; V68-L90 HydrophobicContact CG1-CB 3.93Å; V68-L90 HydrophobicContact CG1-CD1 4.5Å; V68-L90 HydrophobicContact CG2-CB 3.66Å; V79-L90 HydrophobicContact CG1-CB 4.27Å; V79-L90 HydrophobicContact CG1-CD2 4.06Å; E85-L90 HydrophobicContact CB-CD1 4.22Å; E85-L90 HydrophobicContact CB-CG 4.47Å; N86-L90 PolarHBondContact O-N 3.49Å; E87-L90 PolarHBondContact O-N 3.24Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.48Å; L90-V93 WeakPolarHBondContact O-CB 3.49Å; L90-V93 PolarHBondContact O-N 3.04Å; L90-L94 PolarHBondContact O-N 3.49Å
91	M	97	Very high	96.2	Very high	22 Å²	22	41.7 Å²	41.7	11%	0.108	21%	0.214	C	C	.	.	H	α-helix	trans	-66.4	-34.5	177.6	-165.4	63.7	-170.5	0	0	112	E58 V68 E87 L88 M89 L94 N95	E58-M91 HydrophobicContact CB-CE 4.43Å; E58-M91 WeakPolarHBondContact OE2-CE 3.35Å; V68-M91 HydrophobicContact CB-SD 4.28Å; E87-M91 VanDerWaalsContact O-CB 3.26Å; E87-M91 WeakPolarHBondContact O-CB 3.32Å; E87-M91 PolarHBondContact O-N 3.17Å; L88-M91 PolarHBondContact O-N 3.25Å; M89-M91 VanDerWaalsContact C-N 3.29Å; M89-M91 PolarHBondContact O-N 2.93Å; M91-L94 HydrophobicContact CE-CD2 4.19Å; M91-L94 PolarHBondContact O-N 3.48Å; M91-L94 HydrophobicContact SD-CD2 3.81Å; M91-N95 WeakPolarHBondContact O-CB 3.48Å; M91-N95 PolarHBondContact O-N 3.37Å; M91-N95 PolarHBondContact O-ND2 2.96Å
92	A	97.3	Very high	96.2	Very high	42 Å²	42	42.7 Å²	42.7	35%	0.347	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-42.5	172.5	0	0	0	0	0	111.7	L88 M89 L90 C96	L88-A92 WeakPolarHBondContact O-CB 3.5Å; L88-A92 PolarHBondContact O-N 3.24Å; M89-A92 WeakPolarHBondContact O-CB 3.39Å; M89-A92 PolarHBondContact O-N 2.93Å; L90-A92 VanDerWaalsContact C-N 3.32Å; L90-A92 PolarHBondContact O-N 3.48Å; A92-C96 WeakPolarHBondContact O-CB 3.43Å; A92-C96 PolarHBondContact O-N 3.04Å
93	V	98.3	Very high	96.3	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-61.7	-47.5	173.7	175.9	0	0	0	0	110.9	V13 I16 V79 M89 L90 N95 C96 L97 I128 V129 I134	V13-V93 HydrophobicContact CG2-CG2 4.21Å; I16-V93 HydrophobicContact CD1-CG1 4.26Å; V79-V93 HydrophobicContact CG1-CB 4.25Å; V79-V93 HydrophobicContact CG1-CG1 4.03Å; V79-V93 HydrophobicContact CG2-CB 4.49Å; V79-V93 HydrophobicContact CG2-CG1 4.03Å; M89-V93 PolarHBondContact O-N 3.43Å; L90-V93 WeakPolarHBondContact O-CB 3.49Å; L90-V93 PolarHBondContact O-N 3.04Å; V93-N95 PolarHBondContact O-N 3.47Å; V93-C96 PolarHBondContact O-N 2.83Å; V93-L97 WeakPolarHBondContact O-CB 3.36Å; V93-L97 PolarHBondContact O-N 3.01Å; V93-I128 HydrophobicContact CG1-CG2 3.85Å; V93-V129 HydrophobicContact CG1-CG2 3.81Å; V93-I134 HydrophobicContact CG2-CB 4.47Å; V93-I134 HydrophobicContact CG2-CD1 3.45Å; V93-I134 VanDerWaalsContact CG2-CD1 3.45Å; V93-I134 HydrophobicContact CG2-CG1 3.59Å; V93-I134 HydrophobicContact CG2-CG2 4.06Å
94	L	98.3	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-47.6	-179.7	178.3	64.7	0	0	0	111.8	V68 K70 F77 V79 L90 M91 L97 F98	V68-L94 HydrophobicContact CB-CD2 4.34Å; V68-L94 HydrophobicContact CG2-CB 4.13Å; V68-L94 HydrophobicContact CG2-CD2 4.07Å; K70-L94 HydrophobicContact CB-CD2 3.99Å; F77-L94 HydrophobicContact CB-CD1 3.54Å; V79-L94 HydrophobicContact CB-CB 4.45Å; V79-L94 HydrophobicContact CG2-CB 3.79Å; V79-L94 HydrophobicContact CG2-CD1 4.05Å; L90-L94 PolarHBondContact O-N 3.49Å; M91-L94 HydrophobicContact CE-CD2 4.19Å; M91-L94 PolarHBondContact O-N 3.48Å; M91-L94 HydrophobicContact SD-CD2 3.81Å; L94-L97 PolarHBondContact O-N 2.87Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 PolarHBondContact O-N 2.84Å
95	N	97.8	Very high	96.6	Very high	47 Å²	47	38.3 Å²	38.3	25%	0.251	20%	0.201	S	C	.	.	H	α-helix	trans	-67.4	-42.4	178.5	-71.7	-32.7	0	0	0	111.5	K70 M91 V93 L97 F98 D99	K70-N95 PolarHBondContact NZ-OD1 2.82Å; M91-N95 WeakPolarHBondContact O-CB 3.48Å; M91-N95 PolarHBondContact O-N 3.37Å; M91-N95 PolarHBondContact O-ND2 2.96Å; V93-N95 PolarHBondContact O-N 3.47Å; N95-L97 VanDerWaalsContact C-N 3.32Å; N95-L97 PolarHBondContact O-N 3.23Å; N95-F98 PolarHBondContact O-N 3.05Å; N95-D99 VanDerWaalsContact O-CB 3.27Å; N95-D99 WeakPolarHBondContact O-CB 3.41Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 2.94Å
96	C	98.5	Very high	96.7	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-56.8	-46.4	175.6	-177.9	0	0	0	0	111.2	A92 V93 S100 S137	A92-C96 WeakPolarHBondContact O-CB 3.43Å; A92-C96 PolarHBondContact O-N 3.04Å; V93-C96 PolarHBondContact O-N 2.83Å; C96-S100 WeakPolarHBondContact O-CB 3.5Å; C96-S100 PolarHBondContact O-N 3.02Å; C96-S100 PolarHBondContact O-OG 3.41Å; C96-S137 WeakPolarHBondContact CB-O 3.46Å; C96-S137 PolarHBondContact SG-O 2.84Å
97	L	98.5	Very high	96.6	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-51.6	176	177.5	61.8	0	0	0	111.5	I16 F77 V93 L94 N95 D99 S100 L101 L121 V125 I128	I16-L97 HydrophobicContact CG2-CD2 3.75Å; F77-L97 HydrophobicContact CD1-CD2 4.27Å; V93-L97 WeakPolarHBondContact O-CB 3.36Å; V93-L97 PolarHBondContact O-N 3.01Å; L94-L97 PolarHBondContact O-N 2.87Å; N95-L97 VanDerWaalsContact C-N 3.32Å; N95-L97 PolarHBondContact O-N 3.23Å; L97-D99 PolarHBondContact O-N 3.33Å; L97-S100 PolarHBondContact O-N 3.48Å; L97-L101 HydrophobicContact CD1-CD1 3.92Å; L97-L101 HydrophobicContact CD1-CG 4.24Å; L97-L101 HydrophobicContact CG-CD1 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.99Å; L97-L121 HydrophobicContact CD1-CD1 4.14Å; L97-V125 HydrophobicContact CD1-CG2 3.78Å; L97-I128 HydrophobicContact CB-CD1 3.94Å; L97-I128 HydrophobicContact CD1-CD1 4.07Å
98	F	97.8	Very high	96.5	Very high	34 Å²	34	52.3 Å²	52.3	15%	0.149	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-43.6	-177.7	-176.7	-97.1	0	0	0	112.6	F77 L94 N95 L101 S102 V109	F77-F98 HydrophobicContact CD2-CD2 4.19Å; F77-F98 AromaticContact CE2-CD2 3.94Å; F77-F98 HydrophobicContact CE2-CD2 3.94Å; F77-F98 HydrophobicContact CE2-CE2 4.14Å; F77-F98 HydrophobicContact CZ-CD2 4.22Å; L94-F98 WeakPolarHBondContact O-CB 3.48Å; L94-F98 PolarHBondContact O-N 2.84Å; N95-F98 PolarHBondContact O-N 3.05Å; F98-L101 PolarHBondContact O-N 3.34Å; F98-S102 WeakPolarHBondContact CE1-OG 3.33Å; F98-S102 VanDerWaalsContact O-CB 3.29Å; F98-S102 WeakPolarHBondContact O-CB 3.4Å; F98-S102 PolarHBondContact O-N 2.94Å; F98-S102 PolarHBondContact O-OG 2.92Å; F98-V109 HydrophobicContact CD2-CG1 4.37Å; F98-V109 HydrophobicContact CE2-CB 4.02Å; F98-V109 HydrophobicContact CE2-CG1 3.87Å; F98-V109 HydrophobicContact CE2-CG2 4.25Å; F98-V109 HydrophobicContact CZ-CB 4.38Å; F98-V109 HydrophobicContact CZ-CG2 4.37Å
99	D	97.9	Very high	96.6	Very high	70 Å²	70	46.1 Å²	46.1	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-72.1	-35.3	-178.8	-70.1	-21.4	0	0	0	111.7	N95 L97 S102 Q103 P139	N95-D99 VanDerWaalsContact O-CB 3.27Å; N95-D99 WeakPolarHBondContact O-CB 3.41Å; N95-D99 VanDerWaalsContact O-CG 3.28Å; N95-D99 PolarHBondContact O-N 2.94Å; L97-D99 PolarHBondContact O-N 3.33Å; D99-S102 PolarHBondContact O-N 2.66Å; D99-Q103 WeakPolarHBondContact O-CG 3.39Å; D99-Q103 PolarHBondContact O-N 3.05Å; D99-P139 HydrophobicContact CB-CB 3.78Å; D99-P139 HydrophobicContact CB-CG 3.86Å
100	S	98	Very high	96.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-49.1	172.8	-61	0	0	0	0	111	C96 L97 S102 Q103 M104 P139 V142	C96-S100 WeakPolarHBondContact O-CB 3.5Å; C96-S100 PolarHBondContact O-N 3.02Å; C96-S100 PolarHBondContact O-OG 3.41Å; L97-S100 PolarHBondContact O-N 3.48Å; S100-S102 VanDerWaalsContact C-N 3.33Å; S100-S102 PolarHBondContact O-N 3.32Å; S100-Q103 PolarHBondContact O-N 2.9Å; S100-M104 VanDerWaalsContact O-CG 3.28Å; S100-M104 WeakPolarHBondContact O-CG 3.42Å; S100-M104 PolarHBondContact O-N 3.25Å; S100-P139 VanDerWaalsContact OG-CA 3.29Å; S100-P139 WeakPolarHBondContact OG-CA 3.14Å; S100-P139 WeakPolarHBondContact OG-CB 3.38Å; S100-V142 WeakPolarHBondContact OG-CB 3.3Å
101	L	97.7	Very high	96.7	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-40	175.9	-68	173.1	0	0	0	111.5	F77 L97 F98 Q103 M104 L105 L114 L121	F77-L101 HydrophobicContact CE1-CD1 3.63Å; F77-L101 HydrophobicContact CZ-CD1 4.25Å; L97-L101 HydrophobicContact CD1-CD1 3.92Å; L97-L101 HydrophobicContact CD1-CG 4.24Å; L97-L101 HydrophobicContact CG-CD1 4.1Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 VanDerWaalsContact O-CG 3.29Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 2.99Å; F98-L101 PolarHBondContact O-N 3.34Å; L101-Q103 VanDerWaalsContact C-N 3.3Å; L101-Q103 PolarHBondContact O-N 3.39Å; L101-M104 PolarHBondContact O-N 3.35Å; L101-L105 VanDerWaalsContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CB 3.45Å; L101-L105 VanDerWaalsContact O-CG 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.29Å; L101-L105 PolarHBondContact O-N 2.9Å; L101-L114 HydrophobicContact CD1-CD1 4.1Å; L101-L114 HydrophobicContact CD2-CD1 4.02Å; L101-L121 HydrophobicContact CD1-CD1 3.93Å; L101-L121 HydrophobicContact CD2-CB 4.16Å; L101-L121 HydrophobicContact CD2-CD1 4.13Å
102	S	97	Very high	96.7	Very high	20 Å²	20	54.5 Å²	54.5	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-40.3	175.4	-68	0	0	0	0	112.2	F98 D99 S100 R106 K107 V109	F98-S102 WeakPolarHBondContact CE1-OG 3.33Å; F98-S102 VanDerWaalsContact O-CB 3.29Å; F98-S102 WeakPolarHBondContact O-CB 3.4Å; F98-S102 PolarHBondContact O-N 2.94Å; F98-S102 PolarHBondContact O-OG 2.92Å; D99-S102 PolarHBondContact O-N 2.66Å; S100-S102 VanDerWaalsContact C-N 3.33Å; S100-S102 PolarHBondContact O-N 3.32Å; S102-R106 PolarHBondContact O-N 3.48Å; S102-K107 WeakPolarHBondContact O-CA 3.37Å; S102-K107 PolarHBondContact O-N 2.85Å; S102-V109 VanDerWaalsContact OG-CG2 3.28Å; S102-V109 WeakPolarHBondContact OG-CG2 3.29Å
103	Q	96.7	Very high	96.7	Very high	89 Å²	89	53.3 Å²	53.3	42%	0.416	24%	0.24	S	C	.	.	H	α-helix	trans	-66.2	-45.3	174.8	-72.3	177.6	62.2	0	0	111.7	D99 S100 L101 R106 V143	D99-Q103 WeakPolarHBondContact O-CG 3.39Å; D99-Q103 PolarHBondContact O-N 3.05Å; S100-Q103 PolarHBondContact O-N 2.9Å; L101-Q103 VanDerWaalsContact C-N 3.3Å; L101-Q103 PolarHBondContact O-N 3.39Å; Q103-R106 PolarHBondContact O-N 2.68Å; Q103-V143 HydrophobicContact CB-CG2 3.93Å
104	M	95.4	Very high	96.6	Very high	42 Å²	42	53.3 Å²	53.3	21%	0.207	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-36.2	-178.5	-65.7	167.3	63.1	0	0	112.8	S100 L101 V143 V146	S100-M104 VanDerWaalsContact O-CG 3.28Å; S100-M104 WeakPolarHBondContact O-CG 3.42Å; S100-M104 PolarHBondContact O-N 3.25Å; L101-M104 PolarHBondContact O-N 3.35Å; M104-V143 HydrophobicContact CG-CG1 4.46Å; M104-V143 HydrophobicContact CG-CG2 4.15Å; M104-V143 HydrophobicContact SD-CG2 4.48Å; M104-V146 HydrophobicContact CE-CG1 3.76Å; M104-V146 HydrophobicContact SD-CG1 4.36Å
105	L	95.4	Very high	96.6	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.094	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	14.7	-178.6	-58.2	179.6	0	0	0	113.1	L101 K107 N108 V109 A113 L114 N117	L101-L105 VanDerWaalsContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CB 3.45Å; L101-L105 VanDerWaalsContact O-CG 3.28Å; L101-L105 WeakPolarHBondContact O-CG 3.29Å; L101-L105 PolarHBondContact O-N 2.9Å; L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 PolarHBondContact O-N 2.94Å; L105-N108 PolarHBondContact O-N 2.91Å; L105-N108 VanDerWaalsContact O-N 3.07Å; L105-V109 HydrophobicContact CD1-CG2 4.41Å; L105-A113 HydrophobicContact CD1-CB 4.42Å; L105-A113 HydrophobicContact CD2-CB 4.37Å; L105-A113 WeakPolarHBondContact CD2-O 3.47Å; L105-L114 HydrophobicContact CD1-CB 4.39Å; L105-L114 HydrophobicContact CD1-CD1 4.1Å; L105-N117 HydrophobicContact CD2-CB 3.7Å
106	R	93.4	Very high	96.5	Very high	230 Å²	230	62 Å²	62	87%	0.868	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	42.5	176.4	-53.2	179	-178.1	179.5	0.9	113.2	S102 Q103 N108	S102-R106 PolarHBondContact O-N 3.48Å; Q103-R106 PolarHBondContact O-N 2.68Å; R106-N108 PolarHBondContact O-N 2.87Å
107	K	91.4	Very high	96.3	Very high	191 Å²	191	64.6 Å²	64.6	83%	0.83	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	10.3	-179.3	-50.9	-179.1	178.1	-176.8	0	115.5	S102 L105	S102-K107 WeakPolarHBondContact O-CA 3.37Å; S102-K107 PolarHBondContact O-N 2.85Å; L105-K107 VanDerWaalsContact C-N 3.28Å; L105-K107 PolarHBondContact O-N 2.94Å
108	N	92.8	Very high	96.2	Very high	66 Å²	66	66.3 Å²	66.3	35%	0.353	30%	0.303	S	S	.	.			trans	-106.3	81.9	173.6	-169.4	33	0	0	0	110.5	L105 R106 E110 A113	L105-N108 PolarHBondContact O-N 2.91Å; L105-N108 VanDerWaalsContact O-N 3.07Å; R106-N108 PolarHBondContact O-N 2.87Å; N108-E110 VanDerWaalsContact ND2-CD 3.34Å; N108-E110 PolarHBondContact ND2-OE1 3.19Å; N108-E110 PolarHBondContact O-N 2.9Å; N108-A113 WeakPolarHBondContact O-CB 3.47Å
109	V	95.8	Very high	96	Very high	2 Å²	2	71.8 Å²	71.8	1%	0.012	33%	0.329	C	S	.	.			trans	-92.4	83.2	179.6	-172.5	0	0	0	0	109.4	S72 L75 F77 F98 S102 L105	S72-V109 PolarHBondContact OG-O 2.92Å; L75-V109 HydrophobicContact CD1-CG1 4.04Å; F77-V109 HydrophobicContact CE2-CG1 3.99Å; F77-V109 HydrophobicContact CZ-CG1 3.6Å; F98-V109 HydrophobicContact CD2-CG1 4.37Å; F98-V109 HydrophobicContact CE2-CB 4.02Å; F98-V109 HydrophobicContact CE2-CG1 3.87Å; F98-V109 HydrophobicContact CE2-CG2 4.25Å; F98-V109 HydrophobicContact CZ-CB 4.38Å; F98-V109 HydrophobicContact CZ-CG2 4.37Å; S102-V109 VanDerWaalsContact OG-CG2 3.28Å; S102-V109 WeakPolarHBondContact OG-CG2 3.29Å; L105-V109 HydrophobicContact CD1-CG2 4.41Å
110	E	97	Very high	95.9	Very high	54 Å²	54	68.6 Å²	68.6	25%	0.252	31%	0.314	S	S	.	.	S	Bend	trans	-128.5	163	175.1	67.3	-177.4	176.9	0	0	110.7	I73 D74 L75 N108 R112 A113 L114	I73-E110 HydrophobicContact CB-CB 4.18Å; I73-E110 HydrophobicContact CD1-CB 3.85Å; I73-E110 HydrophobicContact CG2-CB 4.05Å; D74-E110 WeakPolarHBondContact OD1-CA 3.47Å; L75-E110 VanDerWaalsContact CD1-C 3.49Å; N108-E110 VanDerWaalsContact ND2-CD 3.34Å; N108-E110 PolarHBondContact ND2-OE1 3.19Å; N108-E110 PolarHBondContact O-N 2.9Å; E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 HydrophobicContact CG-CB 4.5Å; E110-R112 PolarHBondContact O-N 2.9Å; E110-A113 HydrophobicContact CG-CB 4Å; E110-A113 PolarHBondContact O-N 2.82Å; E110-L114 WeakPolarHBondContact O-CB 3.32Å; E110-L114 PolarHBondContact O-N 2.91Å
111	K	97.9	Very high	95.9	Very high	62 Å²	62	68.6 Å²	68.6	27%	0.27	31%	0.314	S	S	.	.	H	α-helix	trans	-51.5	-45.9	-176.5	178.9	174	176.3	167.4	0	112.7	D20 L26 D74 L75 L114 L115	D20-K111 HydrophobicContact CB-CD 3.97Å; D20-K111 IonicContact OD2-NZ 3.83Å; D20-K111 PolarHBondContact OD2-NZ 2.97Å; L26-K111 HydrophobicContact CD1-CG 4.09Å; L26-K111 HydrophobicContact CD2-CD 4.46Å; L26-K111 HydrophobicContact CD2-CG 4.32Å; D74-K111 PolarHBondContact OD1-N 2.93Å; D74-K111 WeakPolarHBondContact OD2-CB 3.36Å; L75-K111 HydrophobicContact CD2-CB 4.04Å; L75-K111 HydrophobicContact CG-CB 4.48Å; K111-L114 PolarHBondContact O-N 2.89Å; K111-L115 HydrophobicContact CG-CD1 3.88Å; K111-L115 HydrophobicContact CG-CG 4.41Å; K111-L115 WeakPolarHBondContact O-CB 3.13Å; K111-L115 VanDerWaalsContact O-CG 3.24Å; K111-L115 WeakPolarHBondContact O-CG 3.16Å; K111-L115 PolarHBondContact O-N 3.16Å
112	R	97.2	Very high	95.9	Very high	171 Å²	171	73.4 Å²	73.4	65%	0.645	33%	0.334	S	S	*	.	H	α-helix	trans	-61.9	-52	-179.2	-177.8	179	174.7	173.3	1.3	111.8	E110 L114 L115 E116	E110-R112 VanDerWaalsContact C-N 3.29Å; E110-R112 HydrophobicContact CG-CB 4.5Å; E110-R112 PolarHBondContact O-N 2.9Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 2.82Å; R112-L115 PolarHBondContact O-N 3.2Å; R112-E116 IonicContact CZ-OE1 2.68Å; R112-E116 IonicContact NE-OE1 2.63Å; R112-E116 PolarHBondContact NE-OE1 3.03Å; R112-E116 IonicContact NH2-OE1 3.04Å; R112-E116 WeakPolarHBondContact O-CG 3.48Å; R112-E116 PolarHBondContact O-N 3.27Å
113	A	97.3	Very high	95.8	Very high	16 Å²	16	73.5 Å²	73.5	13%	0.132	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-37.8	-179.1	0	0	0	0	0	112	L105 N108 E110 N117	L105-A113 HydrophobicContact CD1-CB 4.42Å; L105-A113 HydrophobicContact CD2-CB 4.37Å; L105-A113 WeakPolarHBondContact CD2-O 3.47Å; N108-A113 WeakPolarHBondContact O-CB 3.47Å; E110-A113 HydrophobicContact CG-CB 4Å; E110-A113 PolarHBondContact O-N 2.82Å; A113-N117 PolarHBondContact O-N 2.96Å
114	L	97.7	Very high	95.9	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-44.4	176.3	-170.3	69.7	0	0	0	111.8	I18 L75 L101 L105 E110 K111 R112 E116 N117 M118 L121	I18-L114 HydrophobicContact CD1-CD2 4.17Å; I18-L114 HydrophobicContact CG2-CD2 3.96Å; L75-L114 HydrophobicContact CD1-CB 4.17Å; L75-L114 HydrophobicContact CD1-CD2 3.82Å; L75-L114 HydrophobicContact CD2-CD2 4.22Å; L101-L114 HydrophobicContact CD1-CD1 4.1Å; L101-L114 HydrophobicContact CD2-CD1 4.02Å; L105-L114 HydrophobicContact CD1-CB 4.39Å; L105-L114 HydrophobicContact CD1-CD1 4.1Å; E110-L114 WeakPolarHBondContact O-CB 3.32Å; E110-L114 PolarHBondContact O-N 2.91Å; K111-L114 PolarHBondContact O-N 2.89Å; R112-L114 VanDerWaalsContact C-N 3.31Å; R112-L114 PolarHBondContact O-N 2.82Å; L114-E116 VanDerWaalsContact C-N 3.3Å; L114-E116 PolarHBondContact O-N 2.89Å; L114-N117 CarbonylContact O-C 3.59Å; L114-N117 PolarHBondContact O-N 3.19Å; L114-M118 HydrophobicContact CG-SD 4.46Å; L114-M118 PolarHBondContact O-N 3.39Å; L114-M118 VanDerWaalsContact O-N 3.1Å; L114-L121 HydrophobicContact CD1-CB 4.22Å; L114-L121 HydrophobicContact CD1-CD2 4.26Å; L114-L121 HydrophobicContact CD2-CD2 4.33Å; L114-L121 HydrophobicContact CG-CD2 4.39Å
115	L	97.3	Very high	96	Very high	90 Å²	90	67.2 Å²	67.2	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-35.5	177.6	-75.6	174.7	0	0	0	112.6	L26 K111 R112 N117 M118	L26-L115 HydrophobicContact CD2-CD2 4.2Å; K111-L115 HydrophobicContact CG-CD1 3.88Å; K111-L115 HydrophobicContact CG-CG 4.41Å; K111-L115 WeakPolarHBondContact O-CB 3.13Å; K111-L115 VanDerWaalsContact O-CG 3.24Å; K111-L115 WeakPolarHBondContact O-CG 3.16Å; K111-L115 PolarHBondContact O-N 3.16Å; R112-L115 PolarHBondContact O-N 3.2Å; L115-N117 PolarHBondContact O-N 3.46Å; L115-M118 HydrophobicContact CD2-CG 4.41Å; L115-M118 HydrophobicContact CD2-SD 4.23Å; L115-M118 WeakPolarHBondContact O-CG 3.37Å
116	E	96	Very high	96.1	Very high	139 Å²	139	70 Å²	70	65%	0.65	32%	0.319	S	S	*	.	H	α-helix	trans	-69.6	-16.5	174.1	-71.1	174.5	-170.1	0	0	112.6	R112 L114	R112-E116 IonicContact CZ-OE1 2.68Å; R112-E116 IonicContact NE-OE1 2.63Å; R112-E116 PolarHBondContact NE-OE1 3.03Å; R112-E116 IonicContact NH2-OE1 3.04Å; R112-E116 WeakPolarHBondContact O-CG 3.48Å; R112-E116 PolarHBondContact O-N 3.27Å; L114-E116 VanDerWaalsContact C-N 3.3Å; L114-E116 PolarHBondContact O-N 2.89Å
117	N	94.2	Very high	96.3	Very high	57 Å²	57	61.1 Å²	61.1	31%	0.305	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	42.4	-177.9	-160.4	-6.8	0	0	0	112.9	L105 A113 L114 L115 E119 G120 L121	L105-N117 HydrophobicContact CD2-CB 3.7Å; A113-N117 PolarHBondContact O-N 2.96Å; L114-N117 CarbonylContact O-C 3.59Å; L114-N117 PolarHBondContact O-N 3.19Å; L115-N117 PolarHBondContact O-N 3.46Å; N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 2.92Å; N117-G120 PolarHBondContact O-N 3.16Å; N117-G120 PolarHBondContact OD1-N 2.77Å; N117-L121 PolarHBondContact O-N 2.98Å
118	M	95.8	Very high	96.6	Very high	38 Å²	38	52 Å²	52	19%	0.187	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-35.7	-179.7	-74.5	-64.3	-64.3	0	0	112.9	L114 L115 G120 L121 F122	L114-M118 HydrophobicContact CG-SD 4.46Å; L114-M118 PolarHBondContact O-N 3.39Å; L114-M118 VanDerWaalsContact O-N 3.1Å; L115-M118 HydrophobicContact CD2-CG 4.41Å; L115-M118 HydrophobicContact CD2-SD 4.23Å; L115-M118 WeakPolarHBondContact O-CG 3.37Å; M118-G120 PolarHBondContact O-N 2.82Å; M118-L121 HydrophobicContact CE-CD2 3.86Å; M118-L121 WeakPolarHBondContact O-CB 3.48Å; M118-L121 PolarHBondContact O-N 3.3Å; M118-L121 HydrophobicContact SD-CD2 3.97Å; M118-F122 HydrophobicContact CB-CD2 4.48Å; M118-F122 HydrophobicContact CB-CE2 4.3Å; M118-F122 HydrophobicContact CE-CE2 3.86Å; M118-F122 HydrophobicContact CE-CZ 4.24Å; M118-F122 WeakPolarHBondContact O-CD2 3.5Å; M118-F122 PolarHBondContact O-N 2.99Å
119	E	94.6	Very high	96.9	Very high	149 Å²	149	48.9 Å²	48.9	70%	0.696	23%	0.231	S	C	*	.	H	α-helix	trans	-56.6	-42.4	175.6	-66.2	179.9	178.4	0	0	111.2	N117 L121 F122 L123	N117-E119 VanDerWaalsContact C-N 3.31Å; N117-E119 PolarHBondContact O-N 2.92Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3.13Å; E119-F122 PolarHBondContact O-N 2.93Å; E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 3.32Å
120	G	95.7	Very high	96.9	Very high	4 Å²	4	53.6 Å²	53.6	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-39.6	174.9	0	0	0	0	0	113.3	N117 M118 A124	N117-G120 PolarHBondContact O-N 3.16Å; N117-G120 PolarHBondContact OD1-N 2.77Å; M118-G120 PolarHBondContact O-N 2.82Å; G120-A124 VanDerWaalsContact O-CB 3.24Å; G120-A124 WeakPolarHBondContact O-CB 3.5Å; G120-A124 PolarHBondContact O-N 2.91Å
121	L	97.6	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-48.3	174.2	168.2	66.2	0	0	0	112	I18 F27 L97 L101 L114 N117 M118 E119 L123 A124 V125	I18-L121 HydrophobicContact CD1-CD1 3.49Å; I18-L121 VanDerWaalsContact CD1-CD1 3.49Å; I18-L121 HydrophobicContact CD1-CD2 3.79Å; I18-L121 HydrophobicContact CD1-CG 4.3Å; F27-L121 HydrophobicContact CB-CD2 3.8Å; F27-L121 HydrophobicContact CD2-CD2 3.88Å; F27-L121 HydrophobicContact CD2-CG 4.27Å; F27-L121 HydrophobicContact CG-CD2 3.89Å; F27-L121 HydrophobicContact CG-CG 4.49Å; L97-L121 HydrophobicContact CD1-CD1 4.14Å; L101-L121 HydrophobicContact CD1-CD1 3.93Å; L101-L121 HydrophobicContact CD2-CB 4.16Å; L101-L121 HydrophobicContact CD2-CD1 4.13Å; L114-L121 HydrophobicContact CD1-CB 4.22Å; L114-L121 HydrophobicContact CD1-CD2 4.26Å; L114-L121 HydrophobicContact CD2-CD2 4.33Å; L114-L121 HydrophobicContact CG-CD2 4.39Å; N117-L121 PolarHBondContact O-N 2.98Å; M118-L121 HydrophobicContact CE-CD2 3.86Å; M118-L121 WeakPolarHBondContact O-CB 3.48Å; M118-L121 PolarHBondContact O-N 3.3Å; M118-L121 HydrophobicContact SD-CD2 3.97Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3.13Å; L121-L123 PolarHBondContact O-N 2.81Å; L121-A124 PolarHBondContact O-N 3.22Å; L121-V125 HydrophobicContact CD1-CG2 3.88Å; L121-V125 WeakPolarHBondContact O-CG2 3.17Å; L121-V125 PolarHBondContact O-N 2.88Å
122	F	97.3	Very high	96.8	Very high	102 Å²	102	49.9 Å²	49.9	45%	0.447	25%	0.249	S	C	.	.	H	α-helix	trans	-58.4	-49.6	179.1	-77.7	-73.1	0	0	0	111.1	F27 M118 E119 A124 V125 D126	F27-F122 HydrophobicContact CD2-CD1 4.33Å; F27-F122 AromaticContact CD2-CE1 3.88Å; F27-F122 HydrophobicContact CD2-CE1 3.88Å; F27-F122 HydrophobicContact CD2-CZ 4.21Å; F27-F122 AromaticContact CE2-CD1 3.68Å; F27-F122 HydrophobicContact CE2-CD1 3.68Å; F27-F122 AromaticContact CE2-CE1 3.55Å; F27-F122 HydrophobicContact CE2-CE1 3.55Å; F27-F122 HydrophobicContact CE2-CZ 4.32Å; M118-F122 HydrophobicContact CB-CD2 4.48Å; M118-F122 HydrophobicContact CB-CE2 4.3Å; M118-F122 HydrophobicContact CE-CE2 3.86Å; M118-F122 HydrophobicContact CE-CZ 4.24Å; M118-F122 WeakPolarHBondContact O-CD2 3.5Å; M118-F122 PolarHBondContact O-N 2.99Å; E119-F122 PolarHBondContact O-N 2.93Å; F122-A124 PolarHBondContact O-N 2.63Å; F122-V125 PolarHBondContact O-N 3.01Å; F122-D126 VanDerWaalsContact O-CG 3.31Å; F122-D126 PolarHBondContact O-N 2.9Å
123	L	96.4	Very high	96.8	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.115	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-45	177.7	-67.9	174.6	0	0	0	111.6	E119 L121 V125 D126 E127 V146 A150	E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 3.32Å; L121-L123 PolarHBondContact O-N 2.81Å; L123-V125 VanDerWaalsContact C-N 3.35Å; L123-V125 PolarHBondContact O-N 2.76Å; L123-D126 PolarHBondContact O-N 2.89Å; L123-E127 VanDerWaalsContact O-CG 3.32Å; L123-E127 WeakPolarHBondContact O-CG 3.49Å; L123-E127 PolarHBondContact O-N 3.11Å; L123-V146 HydrophobicContact CB-CB 4.35Å; L123-V146 HydrophobicContact CB-CG1 3.86Å; L123-V146 HydrophobicContact CB-CG2 3.91Å; L123-V146 HydrophobicContact CD1-CG1 4.01Å; L123-A150 HydrophobicContact CD1-CB 4.48Å
124	A	98.1	Very high	96.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-43.8	178.9	0	0	0	0	0	111.9	G120 L121 F122 D126 E127 I128 V142 V146	G120-A124 VanDerWaalsContact O-CB 3.24Å; G120-A124 WeakPolarHBondContact O-CB 3.5Å; G120-A124 PolarHBondContact O-N 2.91Å; L121-A124 PolarHBondContact O-N 3.22Å; F122-A124 PolarHBondContact O-N 2.63Å; A124-D126 VanDerWaalsContact C-N 3.34Å; A124-D126 PolarHBondContact O-N 2.82Å; A124-E127 PolarHBondContact O-N 3.43Å; A124-I128 WeakPolarHBondContact O-CD1 3.39Å; A124-I128 WeakPolarHBondContact O-CG1 3.36Å; A124-I128 PolarHBondContact O-N 3.11Å; A124-I128 VanDerWaalsContact O-N 3.12Å; A124-V142 HydrophobicContact CB-CG1 3.96Å; A124-V146 HydrophobicContact CB-CG2 4.19Å
125	V	98.3	Very high	96.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-40.6	177.9	172.6	0	0	0	0	111.5	I16 F27 K29 Y31 L97 L121 F122 L123 E127 I128 V129	I16-V125 HydrophobicContact CD1-CG1 4.06Å; F27-V125 HydrophobicContact CE1-CG1 4.24Å; F27-V125 HydrophobicContact CE1-CG2 3.99Å; F27-V125 HydrophobicContact CZ-CB 4.1Å; F27-V125 HydrophobicContact CZ-CG1 3.87Å; F27-V125 HydrophobicContact CZ-CG2 3.88Å; K29-V125 HydrophobicContact CD-CG1 3.86Å; Y31-V125 WeakPolarHBondContact OH-CG1 3.35Å; L97-V125 HydrophobicContact CD1-CG2 3.78Å; L121-V125 HydrophobicContact CD1-CG2 3.88Å; L121-V125 WeakPolarHBondContact O-CG2 3.17Å; L121-V125 PolarHBondContact O-N 2.88Å; F122-V125 PolarHBondContact O-N 3.01Å; L123-V125 VanDerWaalsContact C-N 3.35Å; L123-V125 PolarHBondContact O-N 2.76Å; V125-E127 VanDerWaalsContact C-N 3.33Å; V125-E127 PolarHBondContact O-N 3.05Å; V125-I128 PolarHBondContact O-N 2.98Å; V125-V129 PolarHBondContact O-N 2.86Å
126	D	96.6	Very high	96.8	Very high	77 Å²	77	46.7 Å²	46.7	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-66.4	-33.4	178.6	-70.1	-18.9	0	0	0	112.7	K29 F122 L123 A124	K29-D126 IonicContact NZ-OD1 2.88Å; K29-D126 PolarHBondContact NZ-OD1 2.86Å; F122-D126 VanDerWaalsContact O-CG 3.31Å; F122-D126 PolarHBondContact O-N 2.9Å; L123-D126 PolarHBondContact O-N 2.89Å; A124-D126 VanDerWaalsContact C-N 3.34Å; A124-D126 PolarHBondContact O-N 2.82Å
127	E	97.5	Very high	96.8	Very high	42 Å²	42	43.3 Å²	43.3	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-75.2	-25	174.5	-63.4	-63.7	164	0	0	112.9	L123 A124 V125 E136 V142 R145 V146 S149	L123-E127 VanDerWaalsContact O-CG 3.32Å; L123-E127 WeakPolarHBondContact O-CG 3.49Å; L123-E127 PolarHBondContact O-N 3.11Å; A124-E127 PolarHBondContact O-N 3.43Å; V125-E127 VanDerWaalsContact C-N 3.33Å; V125-E127 PolarHBondContact O-N 3.05Å; E127-E136 WeakPolarHBondContact O-CB 3.5Å; E127-V142 HydrophobicContact CB-CG1 4.26Å; E127-R145 HydrophobicContact CG-CB 3.96Å; E127-R145 WeakPolarHBondContact OE2-CD 3.09Å; E127-V146 HydrophobicContact CG-CG2 4.25Å; E127-S149 PolarHBondContact OE1-OG 3.27Å
128	I	98.5	Very high	96.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-87.5	-47	-178.1	-64.5	166.3	0	0	0	111.2	V93 L97 A124 V125 L135 E136 V142	V93-I128 HydrophobicContact CG1-CG2 3.85Å; L97-I128 HydrophobicContact CB-CD1 3.94Å; L97-I128 HydrophobicContact CD1-CD1 4.07Å; A124-I128 WeakPolarHBondContact O-CD1 3.39Å; A124-I128 WeakPolarHBondContact O-CG1 3.36Å; A124-I128 PolarHBondContact O-N 3.11Å; A124-I128 VanDerWaalsContact O-N 3.12Å; V125-I128 PolarHBondContact O-N 2.98Å; I128-L135 PolarHBondContact O-N 2.82Å; I128-E136 WeakPolarHBondContact CG2-O 3.48Å; I128-E136 PolarHBondContact O-N 2.91Å; I128-V142 HydrophobicContact CD1-CG1 4.25Å; I128-V142 HydrophobicContact CD1-CG2 4.25Å; I128-V142 HydrophobicContact CG1-CG1 4.11Å; I128-V142 HydrophobicContact CG1-CG2 3.57Å
129	V	98.2	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.5	-174.7	-176.7	0	0	0	0	111.6	V13 I16 Y31 V93 V125 V133	V13-V129 HydrophobicContact CB-CG1 4.01Å; V13-V129 HydrophobicContact CG1-CG1 4.34Å; V13-V129 HydrophobicContact CG2-CG1 4.34Å; V13-V129 HydrophobicContact CG2-CG2 4.17Å; I16-V129 HydrophobicContact CD1-CB 4.22Å; I16-V129 HydrophobicContact CD1-CG2 3.89Å; Y31-V129 HydrophobicContact CD1-CG1 4.42Å; Y31-V129 HydrophobicContact CD2-CG1 4.18Å; Y31-V129 HydrophobicContact CE1-CB 4.48Å; Y31-V129 HydrophobicContact CE1-CG1 3.85Å; Y31-V129 HydrophobicContact CE2-CB 4.26Å; Y31-V129 HydrophobicContact CE2-CG1 3.6Å; Y31-V129 VanDerWaalsContact CZ-CG1 3.41Å; Y31-V129 WeakPolarHBondContact OH-CB 3.27Å; Y31-V129 PolarHBondContact OH-O 2.95Å; V93-V129 HydrophobicContact CG1-CG2 3.81Å; V125-V129 PolarHBondContact O-N 2.86Å; V129-V133 VanDerWaalsContact CA-O 3.32Å; V129-V133 WeakPolarHBondContact CA-O 3.38Å
130	D	96.8	Very high	97.2	Very high	101 Å²	101	41.7 Å²	41.7	54%	0.54	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.7	172.2	-175.7	31.4	0	0	0	111.3	G132 V133 L135	D130-G132 PolarHBondContact O-N 2.88Å; D130-V133 PolarHBondContact N-O 3.45Å; D130-V133 WeakPolarHBondContact O-CA 3.38Å; D130-V133 WeakPolarHBondContact O-CB 3.37Å; D130-V133 PolarHBondContact O-N 3Å; D130-L135 HydrophobicContact CB-CD1 3.55Å; D130-L135 HydrophobicContact CB-CD2 4.48Å; D130-L135 HydrophobicContact CB-CG 4.07Å
131	G	95.5	Very high	97.3	Very high	36 Å²	36	45.4 Å²	45.4	37%	0.371	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	22.9	-178.2	0	0	0	0	0	115.2	Y11 V133	Y11-G131 WeakPolarHBondContact CD1-O 3.44Å; Y11-G131 WeakPolarHBondContact CE1-O 3.4Å; G131-V133 VanDerWaalsContact C-N 3.35Å
132	G	96.6	Very high	97.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	0	-174.9	0	0	0	0	0	114.9	T12 V13 D130	T12-G132 PolarHBondContact N-O 3.42Å; V13-G132 PolarHBondContact N-O 3.19Å; V13-G132 WeakPolarHBondContact O-CA 3.44Å; D130-G132 PolarHBondContact O-N 2.88Å
133	V	97.2	Very high	97.3	Very high	32 Å²	32	41.5 Å²	41.5	19%	0.194	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.4	174.2	-178.2	0	0	0	0	109.8	L10 Y11 V129 D130 G131 L135	L10-V133 HydrophobicContact CB-CG1 4.12Å; L10-V133 HydrophobicContact CB-CG2 4.01Å; L10-V133 WeakPolarHBondContact O-CA 3.43Å; Y11-V133 HydrophobicContact CD1-CG2 4.06Å; Y11-V133 HydrophobicContact CE1-CG2 4.09Å; V129-V133 VanDerWaalsContact CA-O 3.32Å; V129-V133 WeakPolarHBondContact CA-O 3.38Å; D130-V133 PolarHBondContact N-O 3.45Å; D130-V133 WeakPolarHBondContact O-CA 3.38Å; D130-V133 WeakPolarHBondContact O-CB 3.37Å; D130-V133 PolarHBondContact O-N 3Å; G131-V133 VanDerWaalsContact C-N 3.35Å; V133-L135 HydrophobicContact CG1-CD2 4.41Å; V133-L135 PolarHBondContact O-N 2.66Å
134	I	97.4	Very high	97.3	Very high	44 Å²	44	45.3 Å²	45.3	23%	0.226	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	118.3	176	-56.2	169.2	0	0	0	108.4	T12 V13 M89 V93	T12-I134 HydrophobicContact CG2-CD1 4.14Å; V13-I134 HydrophobicContact CG2-CD1 4.38Å; V13-I134 HydrophobicContact CG2-CG1 3.99Å; M89-I134 HydrophobicContact CB-CD1 4.42Å; M89-I134 HydrophobicContact CE-CD1 4.11Å; V93-I134 HydrophobicContact CG2-CB 4.47Å; V93-I134 HydrophobicContact CG2-CD1 3.45Å; V93-I134 VanDerWaalsContact CG2-CD1 3.45Å; V93-I134 HydrophobicContact CG2-CG1 3.59Å; V93-I134 HydrophobicContact CG2-CG2 4.06Å
135	L	97.4	Very high	97.1	Very high	100 Å²	100	50.8 Å²	50.8	52%	0.524	27%	0.266	S	S	.	.			trans	-96	-41.9	179.3	-60.6	-174.2	0	0	0	112.1	I128 D130 V133	I128-L135 PolarHBondContact O-N 2.82Å; D130-L135 HydrophobicContact CB-CD1 3.55Å; D130-L135 HydrophobicContact CB-CD2 4.48Å; D130-L135 HydrophobicContact CB-CG 4.07Å; V133-L135 HydrophobicContact CG1-CD2 4.41Å; V133-L135 PolarHBondContact O-N 2.66Å
136	E	97.3	Very high	96.9	Very high	35 Å²	35	51.1 Å²	51.1	16%	0.164	27%	0.268	C	S	.	.			trans	-142.2	138	-175.9	-175.1	57.1	-91.6	0	0	110.7	E127 I128 D138 Q141 V142	E127-E136 WeakPolarHBondContact O-CB 3.5Å; I128-E136 WeakPolarHBondContact CG2-O 3.48Å; I128-E136 PolarHBondContact O-N 2.91Å; E136-D138 WeakPolarHBondContact OE1-CB 3.5Å; E136-D138 PolarHBondContact OE1-N 3.27Å; E136-Q141 HydrophobicContact CG-CB 3.95Å; E136-Q141 WeakPolarHBondContact OE2-CB 3.49Å; E136-V142 HydrophobicContact CB-CG2 4.1Å; E136-V142 HydrophobicContact CG-CG2 3.56Å
137	S	95.2	Very high	96.7	Very high	68 Å²	68	52.2 Å²	52.2	48%	0.476	27%	0.274	S	S	.	.			trans	-126.3	-3.4	177.7	62.5	0	0	0	0	113.1	C96	C96-S137 WeakPolarHBondContact CB-O 3.46Å; C96-S137 PolarHBondContact SG-O 2.84Å
138	D	97.9	Very high	96.3	Very high	59 Å²	59	53.8 Å²	53.8	32%	0.316	28%	0.281	S	S	.	.			trans	-91.3	113.6	172	-177.5	-11	0	0	0	110.6	E136 Q140 Q141 V142	E136-D138 WeakPolarHBondContact OE1-CB 3.5Å; E136-D138 PolarHBondContact OE1-N 3.27Å; D138-Q140 PolarHBondContact O-N 3.13Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.31Å; D138-Q140 PolarHBondContact OD1-N 3.24Å; D138-Q141 HydrophobicContact CB-CB 4.24Å; D138-Q141 HydrophobicContact CB-CG 3.91Å; D138-Q141 PolarHBondContact O-N 2.61Å; D138-Q141 VanDerWaalsContact O-N 3.1Å; D138-V142 PolarHBondContact O-N 2.94Å; D138-V142 VanDerWaalsContact O-N 3.13Å
139	P	97.6	Very high	95.8	Very high	23 Å²	23	55 Å²	55	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-25.2	-178.7	27.8	-36.4	0	0	0	113.3	D99 S100 V143	D99-P139 HydrophobicContact CB-CB 3.78Å; D99-P139 HydrophobicContact CB-CG 3.86Å; S100-P139 VanDerWaalsContact OG-CA 3.29Å; S100-P139 WeakPolarHBondContact OG-CA 3.14Å; S100-P139 WeakPolarHBondContact OG-CB 3.38Å; P139-V143 WeakPolarHBondContact O-CB 3.24Å; P139-V143 WeakPolarHBondContact O-CG2 3.31Å; P139-V143 PolarHBondContact O-N 2.62Å
140	Q	97.5	Very high	95.1	Very high	129 Å²	129	56.7 Å²	56.7	60%	0.603	30%	0.304	S	S	*	.	H	α-helix	trans	-68.3	-38.8	175.7	-61.5	-172.1	-15.3	0	0	111.6	D138 H144	D138-Q140 PolarHBondContact O-N 3.13Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.31Å; D138-Q140 PolarHBondContact OD1-N 3.24Å; Q140-H144 WeakPolarHBondContact O-CB 3.47Å; Q140-H144 PolarHBondContact O-N 3.39Å
141	Q	97.9	Very high	94.4	Very high	81 Å²	81	57.8 Å²	57.8	38%	0.379	30%	0.304	S	S	.	.	H	α-helix	trans	-69.2	-42.7	176.6	-62.8	-56.6	-39.9	0	0	111.1	E136 D138 H144 R145	E136-Q141 HydrophobicContact CG-CB 3.95Å; E136-Q141 WeakPolarHBondContact OE2-CB 3.49Å; D138-Q141 HydrophobicContact CB-CB 4.24Å; D138-Q141 HydrophobicContact CB-CG 3.91Å; D138-Q141 PolarHBondContact O-N 2.61Å; D138-Q141 VanDerWaalsContact O-N 3.1Å; Q141-H144 PolarHBondContact O-N 2.98Å; Q141-R145 WeakPolarHBondContact O-CG 3.13Å; Q141-R145 PolarHBondContact O-N 2.83Å
142	V	98.1	Very high	93.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.4	-54.6	175	175.8	0	0	0	0	110.5	S100 A124 E127 I128 E136 D138 H144 R145 V146	S100-V142 WeakPolarHBondContact OG-CB 3.3Å; A124-V142 HydrophobicContact CB-CG1 3.96Å; E127-V142 HydrophobicContact CB-CG1 4.26Å; I128-V142 HydrophobicContact CD1-CG1 4.25Å; I128-V142 HydrophobicContact CD1-CG2 4.25Å; I128-V142 HydrophobicContact CG1-CG1 4.11Å; I128-V142 HydrophobicContact CG1-CG2 3.57Å; E136-V142 HydrophobicContact CB-CG2 4.1Å; E136-V142 HydrophobicContact CG-CG2 3.56Å; D138-V142 PolarHBondContact O-N 2.94Å; D138-V142 VanDerWaalsContact O-N 3.13Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 3.35Å; V142-R145 PolarHBondContact O-N 3.25Å; V142-R145 VanDerWaalsContact O-N 3.1Å; V142-V146 HydrophobicContact CG1-CG2 4.14Å; V142-V146 VanDerWaalsContact O-CG2 3.27Å; V142-V146 WeakPolarHBondContact O-CG2 3.43Å; V142-V146 PolarHBondContact O-N 3.09Å
143	V	97	Very high	92.9	Very high	20 Å²	20	66.5 Å²	66.5	12%	0.121	33%	0.334	C	S	.	.	H	α-helix	trans	-58.8	-40.7	-179.6	173.8	0	0	0	0	111.2	Q103 M104 P139 L147	Q103-V143 HydrophobicContact CB-CG2 3.93Å; M104-V143 HydrophobicContact CG-CG1 4.46Å; M104-V143 HydrophobicContact CG-CG2 4.15Å; M104-V143 HydrophobicContact SD-CG2 4.48Å; P139-V143 WeakPolarHBondContact O-CB 3.24Å; P139-V143 WeakPolarHBondContact O-CG2 3.31Å; P139-V143 PolarHBondContact O-N 2.62Å; V143-L147 HydrophobicContact CG1-CD1 4.26Å; V143-L147 VanDerWaalsContact O-CG 3.28Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.21Å; V143-L147 VanDerWaalsContact O-N 3.11Å
144	H	96.3	Very high	92	Very high	102 Å²	102	69.8 Å²	69.8	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-47.3	175.8	-175.2	81.5	0	0	0	112	Q140 Q141 V142 L147 Q148	Q140-H144 WeakPolarHBondContact O-CB 3.47Å; Q140-H144 PolarHBondContact O-N 3.39Å; Q141-H144 PolarHBondContact O-N 2.98Å; V142-H144 VanDerWaalsContact C-N 3.27Å; V142-H144 PolarHBondContact O-N 3.35Å; H144-L147 PolarHBondContact O-N 3.06Å; H144-Q148 WeakPolarHBondContact O-CG 3.25Å; H144-Q148 PolarHBondContact O-N 3.45Å
145	R	95.3	Very high	91.3	Very high	115 Å²	115	74.2 Å²	74.2	43%	0.434	37%	0.367	S	S	.	.	H	α-helix	trans	-65.8	-45.2	-180	-68.8	174.4	-169.5	-96.9	4.7	111.8	E127 Q141 V142 L147 Q148 S149	E127-R145 HydrophobicContact CG-CB 3.96Å; E127-R145 WeakPolarHBondContact OE2-CD 3.09Å; Q141-R145 WeakPolarHBondContact O-CG 3.13Å; Q141-R145 PolarHBondContact O-N 2.83Å; V142-R145 PolarHBondContact O-N 3.25Å; V142-R145 VanDerWaalsContact O-N 3.1Å; R145-L147 VanDerWaalsContact C-N 3.26Å; R145-L147 PolarHBondContact O-N 3.07Å; R145-Q148 WeakPolarHBondContact O-CA 3.17Å; R145-Q148 WeakPolarHBondContact O-CB 3.43Å; R145-Q148 PolarHBondContact O-N 3.43Å; R145-S149 PolarHBondContact O-N 3.26Å; R145-S149 PolarHBondContact O-OG 3.43Å
146	V	94.4	Very high	90.2	Very high	7 Å²	7	77.6 Å²	77.6	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-54.5	-43.2	175.3	172.7	0	0	0	0	111.3	M104 L123 A124 E127 V142 Q148 S149 A150	M104-V146 HydrophobicContact CE-CG1 3.76Å; M104-V146 HydrophobicContact SD-CG1 4.36Å; L123-V146 HydrophobicContact CB-CB 4.35Å; L123-V146 HydrophobicContact CB-CG1 3.86Å; L123-V146 HydrophobicContact CB-CG2 3.91Å; L123-V146 HydrophobicContact CD1-CG1 4.01Å; A124-V146 HydrophobicContact CB-CG2 4.19Å; E127-V146 HydrophobicContact CG-CG2 4.25Å; V142-V146 HydrophobicContact CG1-CG2 4.14Å; V142-V146 VanDerWaalsContact O-CG2 3.27Å; V142-V146 WeakPolarHBondContact O-CG2 3.43Å; V142-V146 PolarHBondContact O-N 3.09Å; V146-Q148 VanDerWaalsContact C-N 3.29Å; V146-Q148 PolarHBondContact O-N 2.79Å; V146-S149 PolarHBondContact O-N 3.5Å; V146-A150 WeakPolarHBondContact O-CB 3.42Å; V146-A150 PolarHBondContact O-N 2.84Å
147	L	91.3	Very high	89.3	Confident	101 Å²	101	79.5 Å²	79.5	53%	0.529	39%	0.39	S	S	.	.	H	α-helix	trans	-65.7	-28.5	176.5	-71.4	172.6	0	0	0	113.5	V143 H144 R145 K151	V143-L147 HydrophobicContact CG1-CD1 4.26Å; V143-L147 VanDerWaalsContact O-CG 3.28Å; V143-L147 WeakPolarHBondContact O-CG 3.49Å; V143-L147 PolarHBondContact O-N 3.21Å; V143-L147 VanDerWaalsContact O-N 3.11Å; H144-L147 PolarHBondContact O-N 3.06Å; R145-L147 VanDerWaalsContact C-N 3.26Å; R145-L147 PolarHBondContact O-N 3.07Å; L147-K151 WeakPolarHBondContact O-CD 3.48Å; L147-K151 VanDerWaalsContact O-CG 3.32Å; L147-K151 WeakPolarHBondContact O-CG 3.42Å
148	Q	90.3	Very high	88.6	Confident	75 Å²	75	82.8 Å²	82.8	35%	0.35	40%	0.402	S	S	.	.	H	α-helix	trans	-77.6	-46.6	173.5	-59.1	-58.4	-15.3	0	0	111	H144 R145 V146 A150 K151 E152	H144-Q148 WeakPolarHBondContact O-CG 3.25Å; H144-Q148 PolarHBondContact O-N 3.45Å; R145-Q148 WeakPolarHBondContact O-CA 3.17Å; R145-Q148 WeakPolarHBondContact O-CB 3.43Å; R145-Q148 PolarHBondContact O-N 3.43Å; V146-Q148 VanDerWaalsContact C-N 3.29Å; V146-Q148 PolarHBondContact O-N 2.79Å; Q148-A150 VanDerWaalsContact C-N 3.28Å; Q148-A150 PolarHBondContact O-N 2.95Å; Q148-K151 WeakPolarHBondContact O-CB 3.45Å; Q148-K151 PolarHBondContact O-N 3.06Å; Q148-E152 PolarHBondContact O-N 3.43Å
149	S	86.6	Confident	87.7	Confident	27 Å²	27	85.9 Å²	85.9	19%	0.189	42%	0.418	C	S	.	.	H	α-helix	trans	-57.4	-40.7	179	-57.3	0	0	0	0	111.7	E127 R145 V146 K151 E152 Q153	E127-S149 PolarHBondContact OE1-OG 3.27Å; R145-S149 PolarHBondContact O-N 3.26Å; R145-S149 PolarHBondContact O-OG 3.43Å; V146-S149 PolarHBondContact O-N 3.5Å; S149-K151 PolarHBondContact O-N 3.35Å; S149-E152 PolarHBondContact O-N 3.35Å; S149-Q153 WeakPolarHBondContact O-CG 3.37Å; S149-Q153 PolarHBondContact O-N 3.01Å
150	A	83.4	Confident	86.4	Confident	35 Å²	35	98.1 Å²	98.1	29%	0.289	46%	0.461	S	S	.	.	H	α-helix	trans	-63	-39.6	174.5	0	0	0	0	0	113.2	L123 V146 Q148 Q153 I154	L123-A150 HydrophobicContact CD1-CB 4.48Å; V146-A150 WeakPolarHBondContact O-CB 3.42Å; V146-A150 PolarHBondContact O-N 2.84Å; Q148-A150 VanDerWaalsContact C-N 3.28Å; Q148-A150 PolarHBondContact O-N 2.95Å; A150-Q153 PolarHBondContact O-N 2.75Å; A150-I154 WeakPolarHBondContact O-CG1 3.47Å; A150-I154 PolarHBondContact O-N 2.7Å
151	K	82.2	Confident	85.9	Confident	124 Å²	124	96.6 Å²	96.6	54%	0.539	45%	0.454	S	S	.	.	H	α-helix	trans	-66.8	-39.4	176.4	-70.5	169.4	-172.6	171	0	111.7	L147 Q148 S149 I154 K155	L147-K151 WeakPolarHBondContact O-CD 3.48Å; L147-K151 VanDerWaalsContact O-CG 3.32Å; L147-K151 WeakPolarHBondContact O-CG 3.42Å; Q148-K151 WeakPolarHBondContact O-CB 3.45Å; Q148-K151 PolarHBondContact O-N 3.06Å; S149-K151 PolarHBondContact O-N 3.35Å; K151-I154 PolarHBondContact O-N 3.03Å; K151-K155 PolarHBondContact O-N 3.13Å
152	E	81.2	Confident	85.3	Confident	116 Å²	116	97.4 Å²	97.4	54%	0.542	46%	0.458	S	S	.	.	H	α-helix	trans	-64.5	-43.4	177.8	-69.5	-172.8	171.2	0	0	111.2	Q148 S149 I154 K155 W156	Q148-E152 PolarHBondContact O-N 3.43Å; S149-E152 PolarHBondContact O-N 3.35Å; E152-I154 VanDerWaalsContact C-N 3.34Å; E152-I154 PolarHBondContact O-N 3.43Å; E152-K155 WeakPolarHBondContact O-CB 3.22Å; E152-K155 PolarHBondContact O-N 3.11Å; E152-K155 VanDerWaalsContact O-N 3.13Å; E152-W156 PolarHBondContact O-N 3.33Å
153	Q	79.4	Confident	84.6	Confident	103 Å²	103	102.8 Å²	102.8	48%	0.481	48%	0.483	S	S	.	.	H	α-helix	trans	-58.8	-42.5	175.5	-75.4	178.9	-19.7	0	0	112.6	S149 A150 W156 S157	S149-Q153 WeakPolarHBondContact O-CG 3.37Å; S149-Q153 PolarHBondContact O-N 3.01Å; A150-Q153 PolarHBondContact O-N 2.75Å; Q153-W156 PolarHBondContact O-N 3.17Å; Q153-S157 PolarHBondContact O-N 2.92Å
154	I	78.6	Confident	83.8	Confident	102 Å²	102	107.6 Å²	107.6	52%	0.523	50%	0.504	S	S	.	.	H	α-helix	trans	-64.4	-41	175.2	-65.6	165.8	0	0	0	111	A150 K151 E152 W156 S157 L158	A150-I154 WeakPolarHBondContact O-CG1 3.47Å; A150-I154 PolarHBondContact O-N 2.7Å; K151-I154 PolarHBondContact O-N 3.03Å; E152-I154 VanDerWaalsContact C-N 3.34Å; E152-I154 PolarHBondContact O-N 3.43Å; I154-W156 VanDerWaalsContact C-N 3.32Å; I154-W156 PolarHBondContact O-N 3.02Å; I154-S157 PolarHBondContact O-N 3.16Å; I154-S157 PolarHBondContact O-OG 3.08Å; I154-L158 HydrophobicContact CG2-CD1 4.14Å; I154-L158 HydrophobicContact CG2-CG 4.49Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.05Å; I154-L158 VanDerWaalsContact O-N 3.08Å
155	K	82.6	Confident	83	Confident	137 Å²	137	108 Å²	108	60%	0.596	51%	0.506	S	S	*	.	H	α-helix	trans	-61.5	-42.5	176.2	-174.8	-177	176.4	-173.3	0	111.2	K151 E152 S157 L158 L159	K151-K155 PolarHBondContact O-N 3.13Å; E152-K155 WeakPolarHBondContact O-CB 3.22Å; E152-K155 PolarHBondContact O-N 3.11Å; E152-K155 VanDerWaalsContact O-N 3.13Å; K155-S157 VanDerWaalsContact C-N 3.34Å; K155-L158 PolarHBondContact O-N 2.72Å; K155-L159 HydrophobicContact CG-CD1 4.25Å; K155-L159 VanDerWaalsContact O-CG 3.32Å; K155-L159 WeakPolarHBondContact O-CG 3.44Å; K155-L159 PolarHBondContact O-N 3.2Å
156	W	73.6	Confident	82.2	Confident	171 Å²	171	107.5 Å²	107.5	65%	0.648	51%	0.511	S	S	*	.	H	α-helix	trans	-66.6	-33.1	177	-72.1	116.8	0	0	0	113.1	E152 Q153 I154	E152-W156 PolarHBondContact O-N 3.33Å; Q153-W156 PolarHBondContact O-N 3.17Å; I154-W156 VanDerWaalsContact C-N 3.32Å; I154-W156 PolarHBondContact O-N 3.02Å
157	S	79.2	Confident	81.4	Confident	74 Å²	74	114.7 Å²	114.7	52%	0.517	55%	0.545	S	S	.	.	H	α-helix	trans	-73.2	-31.3	176.8	68.6	0	0	0	0	112.9	Q153 I154 K155	Q153-S157 PolarHBondContact O-N 2.92Å; I154-S157 PolarHBondContact O-N 3.16Å; I154-S157 PolarHBondContact O-OG 3.08Å; K155-S157 VanDerWaalsContact C-N 3.34Å
158	L	80	Confident	80.6	Confident	137 Å²	137	115.8 Å²	115.8	72%	0.717	55%	0.546	S	S	*	.	H	α-helix	trans	-76.6	-20.9	175.3	-68	174	0	0	0	114.1	I154 K155 R160	I154-L158 HydrophobicContact CG2-CD1 4.14Å; I154-L158 HydrophobicContact CG2-CG 4.49Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.05Å; I154-L158 VanDerWaalsContact O-N 3.08Å; K155-L158 PolarHBondContact O-N 2.72Å; L158-R160 VanDerWaalsContact C-N 3.33Å
159	L	79	Confident	79.8	Confident	124 Å²	124	119.2 Å²	119.2	65%	0.649	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-4.3	177.9	-71.8	172.3	0	0	0	113.2	K155	K155-L159 HydrophobicContact CG-CD1 4.25Å; K155-L159 VanDerWaalsContact O-CG 3.32Å; K155-L159 WeakPolarHBondContact O-CG 3.44Å; K155-L159 PolarHBondContact O-N 3.2Å
160	R	71.7	Confident	79.2	Confident	280 Å²	280	127.5 Å²	127.5	100%	1.057	60%	0.596	S	S	*	*			trans	-99.8	0	172.7	-70.5	-176.1	178.5	-142.1	2	110.3	L158	L158-R160 VanDerWaalsContact C-N 3.33Å

Retrieved 160 of 160 residues in 137.5 ms (Link to these results)

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