A0AA82N7T2_SCHMA Loading...

Ras-related protein Rab-25 AlphaSync

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different set of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion. RAB25 regulates epithelial cell differentiation, proliferation and survival, thereby playing key roles in tumorigenesis. Promotes invasive migration of cells in which it functions to localize and maintain integrin alpha-V/beta-1 at the tips of extending pseudopodia. Involved in the regulation of epithelial morphogenesis through the control of CLDN4 expression and localization at tight junctions. May selectively regulate the apical recycling pathway. Together with MYO5B regulates transcytosis.

AlphaFold DB , UniProt , Accession A0AA82N7T2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 218 aa.

Structure Viewer

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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	33.6	Very low	47.3	Very low	220 Å²	220	126 Å²	126	100%	1.084	73%	0.734	S	S	*	*				0	120	0	-58.6	-139.9	-107.6	0	0	106
2	Y	37.8	Very low	50.6	Low	214 Å²	214	130.7 Å²	130.7	84%	0.839	74%	0.739	S	S	*	*			cis	-138	123.4	23.6	-83.2	-102.9	0	0	0	108.8	G4	Y2-G4 VanDerWaalsContact C-N 3.33Å; Y2-G4 PolarHBondContact O-N 3.37Å
3	G	35.5	Very low	53.8	Low	90 Å²	90	125.5 Å²	125.5	93%	0.928	70%	0.701	S	S	*	*			trans	-89	78.2	162.3	0	0	0	0	0	107.8
4	G	39	Very low	56.7	Low	59 Å²	59	122.1 Å²	122.1	61%	0.608	68%	0.681	S	S	*	*			trans	-96.3	93.1	170.7	0	0	0	0	0	108.1	Y2 I6	Y2-G4 VanDerWaalsContact C-N 3.33Å; Y2-G4 PolarHBondContact O-N 3.37Å; G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.29Å
5	S	46.2	Very low	59.3	Low	113 Å²	113	117.7 Å²	117.7	79%	0.79	65%	0.65	S	S	*	*			trans	-62.2	102.7	160.7	47.2	0	0	0	0	106.9	S7	S5-S7 PolarHBondContact O-N 2.88Å
6	I	45.8	Very low	61.6	Low	162 Å²	162	111.8 Å²	111.8	83%	0.831	62%	0.617	S	S	*	*			trans	-66.8	84.5	166.9	-61.8	168	0	0	0	105.4	G4 G8	G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.29Å; I6-G8 VanDerWaalsContact C-N 3.32Å; I6-G8 PolarHBondContact O-N 2.96Å; I6-G8 VanDerWaalsContact O-N 3.15Å
7	S	51.4	Low	63.6	Low	84 Å²	84	105.2 Å²	105.2	59%	0.587	58%	0.581	S	S	*	*			trans	-66.7	104.1	154.4	53.9	0	0	0	0	104.4	S5	S5-S7 PolarHBondContact O-N 2.88Å
8	G	51.8	Low	65.4	Low	32 Å²	32	101 Å²	101	33%	0.33	56%	0.556	S	S	.	*			trans	-53.6	150.5	-179.6	0	0	0	0	0	110.4	I6 D10 D11	I6-G8 VanDerWaalsContact C-N 3.32Å; I6-G8 PolarHBondContact O-N 2.96Å; I6-G8 VanDerWaalsContact O-N 3.15Å; G8-D10 PolarHBondContact O-N 3.1Å; G8-D11 PolarHBondContact O-N 3.12Å
9	E	53.4	Low	67.1	Low	186 Å²	186	95.7 Å²	95.7	87%	0.869	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-51	-24.4	178.3	-78.5	174.4	142.7	0	0	113.1	D11 K12	E9-D11 PolarHBondContact O-N 3.11Å; E9-D11 VanDerWaalsContact O-N 3.09Å; E9-K12 PolarHBondContact O-N 2.86Å; E9-K12 VanDerWaalsContact O-N 3.13Å
10	D	58	Low	68.6	Low	133 Å²	133	91 Å²	91	71%	0.711	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-59.7	-12.4	172.6	-72.2	-31.7	0	0	0	115.4	G8 K66	G8-D10 PolarHBondContact O-N 3.1Å; D10-K66 PolarHBondContact O-NZ 2.94Å
11	D	68.3	Low	70	Confident	93 Å²	93	86.6 Å²	86.6	50%	0.497	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-92	-13.1	177.1	-75.8	-27.9	0	0	0	114	G8 E9 Y13 K66	G8-D11 PolarHBondContact O-N 3.12Å; E9-D11 PolarHBondContact O-N 3.11Å; E9-D11 VanDerWaalsContact O-N 3.09Å; D11-Y13 VanDerWaalsContact O-CD1 3.26Å; D11-Y13 WeakPolarHBondContact O-CD1 3.29Å; D11-Y13 PolarHBondContact O-N 2.84Å; D11-K66 IonicContact OD1-NZ 3.55Å; D11-K66 PolarHBondContact OD1-NZ 3.15Å
12	K	86.1	Confident	72.9	Confident	182 Å²	182	76.1 Å²	76.1	79%	0.791	43%	0.425	S	S	*	.			trans	-88	110.9	178.4	-162.9	176.5	179.9	-175	0	110	E9	E9-K12 PolarHBondContact O-N 2.86Å; E9-K12 VanDerWaalsContact O-N 3.13Å
13	Y	92.5	Very high	75.6	Confident	64 Å²	64	66 Å²	66	25%	0.251	39%	0.385	S	S	.	.			trans	-135.7	151	173.9	58.3	-93.5	0	0	0	109.9	D11 Y15 L16 K66	D11-Y13 VanDerWaalsContact O-CD1 3.26Å; D11-Y13 WeakPolarHBondContact O-CD1 3.29Å; D11-Y13 PolarHBondContact O-N 2.84Å; Y13-Y15 VanDerWaalsContact CD2-C 3.49Å; Y13-Y15 VanDerWaalsContact CD2-O 3.3Å; Y13-Y15 WeakPolarHBondContact CD2-O 3.45Å; Y13-L16 HydrophobicContact CD2-CB 4.23Å; Y13-L16 HydrophobicContact CE2-CB 3.61Å; Y13-L16 HydrophobicContact CE2-CD1 4.37Å; Y13-L16 HydrophobicContact CE2-CG 4.45Å; Y13-K66 HydrophobicContact CD1-CB 3.97Å; Y13-K66 HydrophobicContact CD1-CD 3.41Å; Y13-K66 VanDerWaalsContact CD1-CD 3.41Å; Y13-K66 HydrophobicContact CD1-CG 4.33Å; Y13-K66 HydrophobicContact CD2-CB 4.26Å; Y13-K66 HydrophobicContact CE1-CD 3.75Å; Y13-K66 HydrophobicContact CG-CB 3.74Å; Y13-K66 HydrophobicContact CG-CD 4.1Å
14	D	94.7	Very high	78.4	Confident	77 Å²	77	62.7 Å²	62.7	41%	0.412	35%	0.346	S	S	.	.	S	Bend	trans	-81.2	-37.6	173.8	-65.2	-74.3	0	0	0	111.1	R63 T64	D14-R63 HydrophobicContact CB-CB 4.26Å; D14-R63 IonicContact OD1-NH1 3.64Å; D14-R63 PolarHBondContact OD1-NH1 3.43Å; D14-R63 VanDerWaalsContact OD2-CA 3.3Å; D14-R63 WeakPolarHBondContact OD2-CA 3.43Å; D14-T64 PolarHBondContact N-O 3.17Å; D14-T64 PolarHBondContact OD2-N 3.36Å
15	Y	95.7	Very high	81	Confident	56 Å²	56	61.5 Å²	61.5	22%	0.22	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.1	-176.7	-60.7	-90.9	0	0	0	112.2	Y13 F17 R63 T64 I65 K66 F178 V181	Y13-Y15 VanDerWaalsContact CD2-C 3.49Å; Y13-Y15 VanDerWaalsContact CD2-O 3.3Å; Y13-Y15 WeakPolarHBondContact CD2-O 3.45Å; Y15-F17 HydrophobicContact CD1-CE1 4.11Å; Y15-F17 HydrophobicContact CD1-CZ 4.11Å; Y15-F17 HydrophobicContact CG-CE1 4.28Å; Y15-F17 HydrophobicContact CG-CZ 4.09Å; Y15-R63 HydrophobicContact CD2-CB 4.23Å; Y15-R63 HydrophobicContact CE2-CB 4.1Å; Y15-R63 HydrophobicContact CE2-CG 4.05Å; Y15-T64 PolarHBondContact N-O 2.91Å; Y15-I65 HydrophobicContact CD2-CG1 4.43Å; Y15-K66 PolarHBondContact O-N 3.09Å; Y15-F178 HydrophobicContact CD2-CD2 4.1Å; Y15-F178 AromaticContact CD2-CE2 3.95Å; Y15-F178 HydrophobicContact CD2-CE2 3.95Å; Y15-F178 HydrophobicContact CE2-CD2 4.02Å; Y15-F178 AromaticContact CE2-CE2 3.46Å; Y15-F178 HydrophobicContact CE2-CE2 3.46Å; Y15-F178 VanDerWaalsContact CE2-CE2 3.46Å; Y15-F178 HydrophobicContact CG-CD2 4.5Å; Y15-F178 AromaticContact CZ-CE2 3.77Å; Y15-V181 HydrophobicContact CD1-CG1 4.26Å; Y15-V181 HydrophobicContact CE1-CG1 3.95Å
16	L	95.3	Very high	83.2	Confident	23 Å²	23	58.3 Å²	58.3	12%	0.12	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.4	173.7	-174.2	68.3	0	0	0	109.2	Y13 K66 Q68	Y13-L16 HydrophobicContact CD2-CB 4.23Å; Y13-L16 HydrophobicContact CE2-CB 3.61Å; Y13-L16 HydrophobicContact CE2-CD1 4.37Å; Y13-L16 HydrophobicContact CE2-CG 4.45Å; L16-K66 WeakPolarHBondContact CA-O 3.17Å; L16-K66 HydrophobicContact CD1-CB 3.91Å; L16-K66 HydrophobicContact CD1-CD 4.37Å; L16-K66 HydrophobicContact CD1-CG 4.02Å; L16-K66 WeakPolarHBondContact CD1-O 3.41Å; L16-Q68 HydrophobicContact CD1-CG 3.84Å
17	F	96.7	Very high	85.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.9	179.9	-64.1	-21.9	0	0	0	111.4	Y15 I65 K66 A67 Q68 V90 L174 I177 F178 V181 M192	Y15-F17 HydrophobicContact CD1-CE1 4.11Å; Y15-F17 HydrophobicContact CD1-CZ 4.11Å; Y15-F17 HydrophobicContact CG-CE1 4.28Å; Y15-F17 HydrophobicContact CG-CZ 4.09Å; F17-I65 HydrophobicContact CB-CG2 4.44Å; F17-I65 HydrophobicContact CD2-CG2 3.41Å; F17-I65 VanDerWaalsContact CD2-CG2 3.41Å; F17-I65 HydrophobicContact CE2-CD1 3.93Å; F17-I65 HydrophobicContact CE2-CG1 4.34Å; F17-I65 HydrophobicContact CE2-CG2 3.77Å; F17-I65 HydrophobicContact CG-CG2 4.03Å; F17-K66 PolarHBondContact N-O 3.15Å; F17-A67 CarbonylContact O-C 3.59Å; F17-A67 WeakPolarHBondContact O-CA 3.46Å; F17-Q68 PolarHBondContact O-N 2.9Å; F17-V90 HydrophobicContact CB-CG2 4.01Å; F17-V90 HydrophobicContact CD1-CG2 4.3Å; F17-V90 HydrophobicContact CG-CG2 4.34Å; F17-L174 HydrophobicContact CB-CD2 4.15Å; F17-L174 HydrophobicContact CD2-CD2 4.06Å; F17-I177 HydrophobicContact CD1-CG2 3.89Å; F17-I177 HydrophobicContact CD2-CB 4.1Å; F17-I177 HydrophobicContact CD2-CG2 3.7Å; F17-I177 HydrophobicContact CE1-CG2 3.89Å; F17-I177 HydrophobicContact CE2-CB 4.05Å; F17-I177 HydrophobicContact CE2-CG2 3.68Å; F17-I177 HydrophobicContact CG-CG2 3.83Å; F17-I177 HydrophobicContact CZ-CG2 3.8Å; F17-F178 HydrophobicContact CE2-CB 3.92Å; F17-F178 HydrophobicContact CZ-CB 4.23Å; F17-V181 HydrophobicContact CE1-CG2 4.21Å; F17-V181 HydrophobicContact CZ-CG2 4.42Å; F17-M192 HydrophobicContact CD1-CE 4.08Å; F17-M192 HydrophobicContact CE1-CE 4.3Å; F17-M192 HydrophobicContact CE1-SD 4.38Å
18	K	96.1	Very high	87.7	Confident	30 Å²	30	47.1 Å²	47.1	13%	0.13	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.2	172.4	-177.2	175	174.7	-173.1	0	109.8	Q68 Y85 R87 A89 V90 G91	K18-Q68 WeakPolarHBondContact CA-O 3.43Å; K18-Y85 WeakPolarHBondContact CE-O 3.29Å; K18-Y85 PolarHBondContact NZ-O 3.34Å; K18-R87 PolarHBondContact NZ-O 3.02Å; K18-A89 HydrophobicContact CG-CB 4.43Å; K18-V90 WeakPolarHBondContact O-CG2 3.23Å; K18-V90 PolarHBondContact O-N 2.93Å; K18-G91 PolarHBondContact O-N 3.18Å
19	V	97.7	Very high	89.8	Confident	1 Å²	1	46 Å²	46	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.3	176.5	-178.8	0	0	0	0	109.4	Q68 I69 W70 G91 L174 I177	V19-Q68 PolarHBondContact N-O 2.77Å; V19-I69 HydrophobicContact CB-CG1 4.45Å; V19-I69 VanDerWaalsContact O-CA 3.3Å; V19-I69 WeakPolarHBondContact O-CA 3.36Å; V19-W70 PolarHBondContact O-N 2.86Å; V19-G91 CarbonylContact C-O 3.57Å; V19-G91 VanDerWaalsContact CA-O 3.27Å; V19-G91 WeakPolarHBondContact CA-O 3.36Å; V19-L174 HydrophobicContact CG2-CD2 3.96Å; V19-I177 HydrophobicContact CG2-CD1 4.27Å
20	V	96.7	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.8	176.2	-61.5	0	0	0	0	111.1	W70 Y86 A89 G91 A92 L93 L114	V20-W70 WeakPolarHBondContact CA-O 3.35Å; V20-W70 HydrophobicContact CG1-CB 4.23Å; V20-Y86 HydrophobicContact CB-CD1 4.35Å; V20-Y86 HydrophobicContact CG1-CD1 4.37Å; V20-Y86 HydrophobicContact CG2-CD1 4.01Å; V20-Y86 HydrophobicContact CG2-CE1 4.35Å; V20-A89 HydrophobicContact CG1-CB 3.74Å; V20-A89 HydrophobicContact CG2-CB 4.11Å; V20-G91 PolarHBondContact N-O 3.43Å; V20-A92 HydrophobicContact CG2-CB 3.64Å; V20-A92 CarbonylContact O-C 3.3Å; V20-A92 VanDerWaalsContact O-CA 3.25Å; V20-A92 WeakPolarHBondContact O-CA 3.46Å; V20-L93 PolarHBondContact O-N 3.41Å; V20-L114 HydrophobicContact CG2-CD1 3.85Å
21	L	97	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.9	167.5	-48.6	-177.3	0	0	0	108.1	K29 L33 I69 W70 D71 T72 L93 F170	L21-K29 HydrophobicContact CB-CB 4.11Å; L21-K29 HydrophobicContact CB-CD 4.23Å; L21-K29 HydrophobicContact CB-CG 4.44Å; L21-K29 HydrophobicContact CD1-CB 4.38Å; L21-K29 WeakPolarHBondContact CD1-O 3.46Å; L21-L33 HydrophobicContact CD1-CB 3.83Å; L21-I69 HydrophobicContact CD1-CG2 4.25Å; L21-I69 HydrophobicContact CD2-CG2 4.14Å; L21-I69 HydrophobicContact CG-CG2 3.96Å; L21-W70 PolarHBondContact N-O 2.92Å; L21-D71 HydrophobicContact CD1-CB 4.32Å; L21-T72 WeakPolarHBondContact O-CB 3.31Å; L21-T72 PolarHBondContact O-N 3.33Å; L21-T72 PolarHBondContact O-OG1 3.35Å; L21-L93 HydrophobicContact CD2-CB 3.65Å; L21-L93 HydrophobicContact CD2-CD1 3.64Å; L21-L93 HydrophobicContact CD2-CG 3.79Å; L21-F170 HydrophobicContact CD1-CZ 4.36Å; L21-F170 HydrophobicContact CD2-CE1 3.95Å; L21-F170 HydrophobicContact CD2-CZ 3.92Å
22	T	95.1	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	161.2	-179.2	-170.9	0	0	0	0	111.9	Y86 L93 L94 V95 L114	T22-Y86 PolarHBondContact OG1-OH 3.1Å; T22-L93 PolarHBondContact N-O 2.93Å; T22-L94 HydrophobicContact CG2-CB 4.48Å; T22-L94 HydrophobicContact CG2-CD1 3.84Å; T22-V95 PolarHBondContact O-N 3.42Å; T22-L114 HydrophobicContact CG2-CD2 4.38Å
23	G	95.3	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	131.3	174.7	-172.3	0	0	0	0	0	112.4	K29 G74 W110	G23-K29 PolarHBondContact O-NZ 3.06Å; G23-G74 WeakPolarHBondContact O-CA 3.44Å; G23-W110 VanDerWaalsContact C-CE2 3.48Å
24	D	94.3	Very high	95.7	Very high	21 Å²	21	16.8 Å²	16.8	11%	0.112	10%	0.103	C	C	.	.	S	Bend	trans	-57.9	161.2	-173.9	-80.4	-1.5	0	0	0	114.3	V27 K29 G74 T103 N106 W110	D24-V27 HydrophobicContact CB-CG1 3.8Å; D24-V27 VanDerWaalsContact O-CG2 3.27Å; D24-V27 WeakPolarHBondContact O-CG2 3.42Å; D24-K29 PolarHBondContact O-NZ 3.14Å; D24-G74 CarbonylContact C-O 3.56Å; D24-T103 HydrophobicContact CB-CG2 4Å; D24-T103 WeakPolarHBondContact OD2-CA 3.45Å; D24-N106 PolarHBondContact OD2-ND2 3.11Å; D24-W110 PolarHBondContact OD1-NE1 3.42Å
25	S	92.5	Very high	95.8	Very high	35 Å²	35	15 Å²	15	25%	0.245	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	135.6	170.8	179.5	0	0	0	0	110.8	V27 S47 G74 Q75	S25-V27 VanDerWaalsContact C-N 3.33Å; S25-V27 PolarHBondContact O-N 2.92Å; S25-S47 PolarHBondContact OG-OG 3.02Å; S25-S47 VanDerWaalsContact OG-OG 3.1Å; S25-G74 PolarHBondContact N-O 3.3Å; S25-Q75 PolarHBondContact OG-NE2 2.99Å
26	G	92.8	Very high	95.9	Very high	45 Å²	45	12.9 Å²	12.9	46%	0.464	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	4.7	174.8	0	0	0	0	0	116	G28 K130	G26-G28 PolarHBondContact O-N 3.2Å; G26-K130 PolarHBondContact O-NZ 3.23Å
27	V	95.9	Very high	96	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-70.6	-17.7	172.9	-56.7	0	0	0	0	113.1	D24 S25 K29 V95 D97 T103 N129	D24-V27 HydrophobicContact CB-CG1 3.8Å; D24-V27 VanDerWaalsContact O-CG2 3.27Å; D24-V27 WeakPolarHBondContact O-CG2 3.42Å; S25-V27 VanDerWaalsContact C-N 3.33Å; S25-V27 PolarHBondContact O-N 2.92Å; V27-K29 HydrophobicContact CG2-CD 4.28Å; V27-K29 HydrophobicContact CG2-CG 3.59Å; V27-V95 HydrophobicContact CB-CG1 4.25Å; V27-V95 HydrophobicContact CG2-CB 3.89Å; V27-V95 HydrophobicContact CG2-CG1 3.78Å; V27-D97 HydrophobicContact CB-CB 4.32Å; V27-D97 HydrophobicContact CG1-CB 4.21Å; V27-T103 HydrophobicContact CG1-CG2 3.75Å; V27-N129 PolarHBondContact O-ND2 3.43Å
28	G	96.4	Very high	95.9	Very high	12 Å²	12	18.4 Å²	18.4	12%	0.124	10%	0.103	C	C	.	.	S	Bend	trans	104.5	22.1	174	0	0	0	0	0	115.6	G26 S30 N31 L32	G26-G28 PolarHBondContact O-N 3.2Å; G28-S30 PolarHBondContact O-N 2.72Å; G28-N31 PolarHBondContact O-N 3.01Å; G28-L32 WeakPolarHBondContact O-CG 3.42Å; G28-L32 PolarHBondContact O-N 3.42Å
29	K	95.6	Very high	95.8	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.035	12%	0.124	C	C	.	.	H	α-helix	trans	-53.9	-50.5	178.1	-56	-172	-61.5	-76.6	0	113.2	L21 G23 D24 V27 N31 L32 L33 D71 T72 V95	L21-K29 HydrophobicContact CB-CB 4.11Å; L21-K29 HydrophobicContact CB-CD 4.23Å; L21-K29 HydrophobicContact CB-CG 4.44Å; L21-K29 HydrophobicContact CD1-CB 4.38Å; L21-K29 WeakPolarHBondContact CD1-O 3.46Å; G23-K29 PolarHBondContact O-NZ 3.06Å; D24-K29 PolarHBondContact O-NZ 3.14Å; V27-K29 HydrophobicContact CG2-CD 4.28Å; V27-K29 HydrophobicContact CG2-CG 3.59Å; K29-N31 VanDerWaalsContact C-N 3.29Å; K29-N31 PolarHBondContact O-N 3.34Å; K29-L32 WeakPolarHBondContact O-CB 3.25Å; K29-L32 PolarHBondContact O-N 2.98Å; K29-L32 VanDerWaalsContact O-N 3.09Å; K29-L33 PolarHBondContact O-N 3.33Å; K29-D71 WeakPolarHBondContact CB-OD1 3.27Å; K29-T72 WeakPolarHBondContact CE-O 3.2Å; K29-V95 HydrophobicContact CG-CB 4.1Å; K29-V95 HydrophobicContact CG-CG2 4.14Å
30	S	95.1	Very high	95.7	Very high	21 Å²	21	26.7 Å²	26.7	15%	0.147	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-38.1	178.3	-35.8	0	0	0	0	112.3	G28 L33 S34 T48 D71	G28-S30 PolarHBondContact O-N 2.72Å; S30-L33 WeakPolarHBondContact O-CB 3.14Å; S30-L33 PolarHBondContact O-N 2.95Å; S30-S34 WeakPolarHBondContact O-CB 3.07Å; S30-S34 PolarHBondContact O-N 3.47Å; S30-S34 PolarHBondContact O-OG 2.79Å; S30-T48 PolarHBondContact OG-OG1 3.45Å; S30-D71 WeakPolarHBondContact CA-OD2 3.48Å; S30-D71 VanDerWaalsContact CB-OD2 3.23Å; S30-D71 WeakPolarHBondContact CB-OD2 3.29Å; S30-D71 PolarHBondContact OG-OD2 2.99Å
31	N	96.6	Very high	95.6	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.059	16%	0.159	C	C	.	.	H	α-helix	trans	-69.1	-34.3	175.6	-86.8	-44.5	0	0	0	112.5	G28 K29 S34 R35 F41 N42 S45 A160	G28-N31 PolarHBondContact O-N 3.01Å; K29-N31 VanDerWaalsContact C-N 3.29Å; K29-N31 PolarHBondContact O-N 3.34Å; N31-S34 WeakPolarHBondContact CA-OG 3.47Å; N31-S34 PolarHBondContact O-OG 3.39Å; N31-R35 WeakPolarHBondContact O-CB 3.44Å; N31-R35 PolarHBondContact O-N 3.3Å; N31-F41 HydrophobicContact CB-CD2 3.85Å; N31-F41 HydrophobicContact CB-CE2 3.97Å; N31-N42 PolarHBondContact ND2-O 2.97Å; N31-N42 PolarHBondContact OD1-N 2.72Å; N31-N42 PolarHBondContact OD1-O 3.47Å; N31-S45 PolarHBondContact ND2-OG 3.02Å; N31-A160 HydrophobicContact CB-CB 3.84Å
32	L	98.1	Very high	95.3	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-43.6	171	-71.7	169.8	0	0	0	110.9	G28 K29 R35 F36 V95 V127 N129 T158 A160 V166 F170	G28-L32 WeakPolarHBondContact O-CG 3.42Å; G28-L32 PolarHBondContact O-N 3.42Å; K29-L32 WeakPolarHBondContact O-CB 3.25Å; K29-L32 PolarHBondContact O-N 2.98Å; K29-L32 VanDerWaalsContact O-N 3.09Å; L32-R35 PolarHBondContact O-N 2.89Å; L32-F36 WeakPolarHBondContact O-CB 3.29Å; L32-F36 PolarHBondContact O-N 3.49Å; L32-V95 HydrophobicContact CD1-CG1 3.85Å; L32-V95 HydrophobicContact CD1-CG2 4.11Å; L32-V127 HydrophobicContact CD1-CG1 4.27Å; L32-N129 HydrophobicContact CD1-CB 4.36Å; L32-T158 HydrophobicContact CD2-CG2 4.49Å; L32-T158 WeakPolarHBondContact CD2-OG1 3.41Å; L32-A160 HydrophobicContact CD2-CB 3.97Å; L32-A160 HydrophobicContact CG-CB 4.3Å; L32-V166 HydrophobicContact CD2-CG1 4.31Å; L32-V166 HydrophobicContact CD2-CG2 3.82Å; L32-F170 HydrophobicContact CB-CE2 4.37Å
33	L	97	Very high	94.9	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-52.3	176.4	-177.8	60.4	0	0	0	111.6	L21 K29 S30 R35 F36 T37 E52 A54 I69 D71	L21-L33 HydrophobicContact CD1-CB 3.83Å; K29-L33 PolarHBondContact O-N 3.33Å; S30-L33 WeakPolarHBondContact O-CB 3.14Å; S30-L33 PolarHBondContact O-N 2.95Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.15Å; L33-F36 PolarHBondContact O-N 3.26Å; L33-T37 HydrophobicContact CD1-CG2 3.89Å; L33-T37 WeakPolarHBondContact O-CB 3.39Å; L33-T37 WeakPolarHBondContact O-CG2 3.49Å; L33-T37 PolarHBondContact O-N 2.98Å; L33-T37 PolarHBondContact O-OG1 3.34Å; L33-E52 HydrophobicContact CD2-CB 4.4Å; L33-A54 HydrophobicContact CD1-CB 3.94Å; L33-A54 HydrophobicContact CD2-CB 4.21Å; L33-A54 HydrophobicContact CG-CB 4.21Å; L33-I69 HydrophobicContact CD1-CB 3.65Å; L33-I69 HydrophobicContact CD1-CD1 4.24Å; L33-I69 HydrophobicContact CD1-CG2 3.48Å; L33-I69 VanDerWaalsContact CD1-CG2 3.48Å; L33-D71 HydrophobicContact CD2-CB 3.69Å
34	S	95.5	Very high	94.3	Very high	10 Å²	10	48.5 Å²	48.5	7%	0.07	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-38	-179.4	65.3	0	0	0	0	111.7	S30 N31 R38 N39 E40	S30-S34 WeakPolarHBondContact O-CB 3.07Å; S30-S34 PolarHBondContact O-N 3.47Å; S30-S34 PolarHBondContact O-OG 2.79Å; N31-S34 WeakPolarHBondContact CA-OG 3.47Å; N31-S34 PolarHBondContact O-OG 3.39Å; S34-R38 CarbonylContact O-C 3.51Å; S34-R38 WeakPolarHBondContact O-CA 3.21Å; S34-R38 PolarHBondContact O-N 3.36Å; S34-N39 PolarHBondContact O-N 2.81Å; S34-N39 VanDerWaalsContact O-N 3.1Å; S34-E40 CarbonylContact C-O 3.41Å; S34-E40 VanDerWaalsContact C-O 3.3Å; S34-E40 WeakPolarHBondContact CB-O 3.38Å; S34-E40 PolarHBondContact O-N 2.75Å; S34-E40 PolarHBondContact OG-O 3.46Å
35	R	97.4	Very high	93.5	Very high	40 Å²	40	50 Å²	50	15%	0.151	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-45.9	177	-180	59.8	71.1	-170.5	6.8	111.1	N31 L32 L33 N39 E40 A160 L161 V166	N31-R35 WeakPolarHBondContact O-CB 3.44Å; N31-R35 PolarHBondContact O-N 3.3Å; L32-R35 PolarHBondContact O-N 2.89Å; L33-R35 VanDerWaalsContact C-N 3.33Å; L33-R35 PolarHBondContact O-N 3.15Å; R35-N39 WeakPolarHBondContact CD-OD1 3.15Å; R35-N39 PolarHBondContact NH1-O 2.96Å; R35-N39 PolarHBondContact NH1-OD1 2.95Å; R35-N39 WeakPolarHBondContact O-CA 3.48Å; R35-N39 PolarHBondContact O-N 3.44Å; R35-E40 WeakPolarHBondContact CA-O 3.39Å; R35-E40 PolarHBondContact N-O 2.95Å; R35-A160 PolarHBondContact NE-O 3.06Å; R35-A160 PolarHBondContact NH2-O 2.91Å; R35-L161 PolarHBondContact NH2-O 3.2Å; R35-L161 VanDerWaalsContact NH2-O 3.15Å; R35-V166 HydrophobicContact CB-CG1 4.23Å; R35-V166 HydrophobicContact CG-CB 4.23Å; R35-V166 HydrophobicContact CG-CG1 3.98Å; R35-V166 HydrophobicContact CG-CG2 4.04Å
36	F	97.8	Very high	92.8	Very high	11 Å²	11	57.4 Å²	57.4	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-42.4	179.2	178.3	-116.6	0	0	0	113.1	L32 L33 K56 V58 I69 V166 F170 Y171	L32-F36 WeakPolarHBondContact O-CB 3.29Å; L32-F36 PolarHBondContact O-N 3.49Å; L33-F36 PolarHBondContact O-N 3.26Å; F36-K56 HydrophobicContact CE1-CB 3.92Å; F36-K56 HydrophobicContact CE1-CG 3.85Å; F36-K56 HydrophobicContact CZ-CG 4.05Å; F36-V58 HydrophobicContact CZ-CG1 4.12Å; F36-I69 HydrophobicContact CD1-CD1 3.57Å; F36-I69 HydrophobicContact CE1-CD1 3.6Å; F36-V166 HydrophobicContact CB-CG1 4Å; F36-F170 HydrophobicContact CB-CD2 3.57Å; F36-F170 HydrophobicContact CB-CE2 3.59Å; F36-F170 HydrophobicContact CB-CG 4.21Å; F36-F170 HydrophobicContact CB-CZ 4.23Å; F36-F170 HydrophobicContact CD1-CB 4.07Å; F36-F170 AromaticContact CD1-CD1 3.79Å; F36-F170 HydrophobicContact CD1-CD1 3.79Å; F36-F170 AromaticContact CD1-CD2 3.93Å; F36-F170 HydrophobicContact CD1-CD2 3.93Å; F36-F170 HydrophobicContact CD1-CE1 4.19Å; F36-F170 HydrophobicContact CD1-CE2 4.32Å; F36-F170 AromaticContact CD1-CG 3.66Å; F36-F170 HydrophobicContact CD1-CG 3.66Å; F36-F170 HydrophobicContact CD1-CZ 4.43Å; F36-F170 HydrophobicContact CD2-CB 3.68Å; F36-F170 AromaticContact CD2-CD2 3.75Å; F36-F170 HydrophobicContact CD2-CD2 3.75Å; F36-F170 AromaticContact CD2-CG 3.83Å; F36-F170 HydrophobicContact CD2-CG 3.83Å; F36-F170 HydrophobicContact CE1-CB 3.89Å; F36-F170 HydrophobicContact CE1-CD1 4.01Å; F36-F170 AromaticContact CE1-CG 3.93Å; F36-F170 HydrophobicContact CE1-CG 3.93Å; F36-F170 HydrophobicContact CE2-CB 3.48Å; F36-F170 VanDerWaalsContact CE2-CB 3.48Å; F36-F170 HydrophobicContact CE2-CD2 4.44Å; F36-F170 HydrophobicContact CE2-CG 4.08Å; F36-F170 HydrophobicContact CG-CB 3.97Å; F36-F170 HydrophobicContact CG-CD1 4.19Å; F36-F170 AromaticContact CG-CD2 3.45Å; F36-F170 HydrophobicContact CG-CD2 3.45Å; F36-F170 VanDerWaalsContact CG-CD2 3.45Å; F36-F170 AromaticContact CG-CE2 3.93Å; F36-F170 HydrophobicContact CG-CE2 3.93Å; F36-F170 AromaticContact CG-CG 3.61Å; F36-F170 HydrophobicContact CG-CG 3.61Å; F36-F170 HydrophobicContact CG-CZ 4.47Å; F36-F170 HydrophobicContact CZ-CB 3.59Å; F36-F170 HydrophobicContact CZ-CG 4.13Å; F36-Y171 HydrophobicContact CE2-CD2 4.21Å; F36-Y171 HydrophobicContact CE2-CE2 4.09Å
37	T	95.9	Very high	92.3	Very high	16 Å²	16	58.2 Å²	58.2	10%	0.098	29%	0.292	C	S	.	.	H	α-helix	trans	-85.2	-38.4	-171.2	56.6	0	0	0	0	113.1	L33 A54 K56 I69	L33-T37 HydrophobicContact CD1-CG2 3.89Å; L33-T37 WeakPolarHBondContact O-CB 3.39Å; L33-T37 WeakPolarHBondContact O-CG2 3.49Å; L33-T37 PolarHBondContact O-N 2.98Å; L33-T37 PolarHBondContact O-OG1 3.34Å; T37-A54 HydrophobicContact CG2-CB 3.86Å; T37-K56 HydrophobicContact CG2-CB 4.32Å; T37-K56 PolarHBondContact O-NZ 3.19Å; T37-I69 HydrophobicContact CG2-CD1 4.41Å
38	R	94.2	Very high	91.1	Very high	122 Å²	122	59.1 Å²	59.1	46%	0.46	30%	0.297	S	S	.	.	H	α-helix	trans	-125.9	-1.3	-171	-60	-172.7	-61.4	-87	5	114.3	S34 E40	S34-R38 CarbonylContact O-C 3.51Å; S34-R38 WeakPolarHBondContact O-CA 3.21Å; S34-R38 PolarHBondContact O-N 3.36Å; R38-E40 HydrophobicContact CB-CB 4.35Å; R38-E40 HydrophobicContact CB-CG 3.93Å; R38-E40 IonicContact CZ-OE2 3.6Å; R38-E40 IonicContact NE-OE2 3.31Å; R38-E40 PolarHBondContact NE-OE2 2.85Å; R38-E40 IonicContact NH2-OE2 3.47Å; R38-E40 PolarHBondContact O-N 2.99Å
39	N	95.4	Very high	89.7	Confident	108 Å²	108	64.2 Å²	64.2	58%	0.578	32%	0.321	S	S	*	.	S	Bend	trans	56.3	38.4	-172.1	-164.3	23.6	0	0	0	113.3	S34 R35	S34-N39 PolarHBondContact O-N 2.81Å; S34-N39 VanDerWaalsContact O-N 3.1Å; R35-N39 WeakPolarHBondContact CD-OD1 3.15Å; R35-N39 PolarHBondContact NH1-O 2.96Å; R35-N39 PolarHBondContact NH1-OD1 2.95Å; R35-N39 WeakPolarHBondContact O-CA 3.48Å; R35-N39 PolarHBondContact O-N 3.44Å
40	E	94.9	Very high	88.5	Confident	98 Å²	98	64.9 Å²	64.9	46%	0.458	33%	0.33	S	S	.	.			trans	-115.1	146	-178	-72.1	170.9	177.9	0	0	111.8	S34 R35 R38	S34-E40 CarbonylContact C-O 3.41Å; S34-E40 VanDerWaalsContact C-O 3.3Å; S34-E40 WeakPolarHBondContact CB-O 3.38Å; S34-E40 PolarHBondContact O-N 2.75Å; S34-E40 PolarHBondContact OG-O 3.46Å; R35-E40 WeakPolarHBondContact CA-O 3.39Å; R35-E40 PolarHBondContact N-O 2.95Å; R38-E40 HydrophobicContact CB-CB 4.35Å; R38-E40 HydrophobicContact CB-CG 3.93Å; R38-E40 IonicContact CZ-OE2 3.6Å; R38-E40 IonicContact NE-OE2 3.31Å; R38-E40 PolarHBondContact NE-OE2 2.85Å; R38-E40 IonicContact NH2-OE2 3.47Å; R38-E40 PolarHBondContact O-N 2.99Å
41	F	94.7	Very high	87.8	Confident	63 Å²	63	65.4 Å²	65.4	28%	0.276	33%	0.332	S	S	.	.			trans	-135.6	137	171.1	175.6	-92.2	0	0	0	110.1	N31 L43 A160 L161	N31-F41 HydrophobicContact CB-CD2 3.85Å; N31-F41 HydrophobicContact CB-CE2 3.97Å; F41-L43 HydrophobicContact CE1-CB 3.9Å; F41-L43 HydrophobicContact CE1-CD1 3.99Å; F41-L43 HydrophobicContact CZ-CD1 4.11Å; F41-A160 HydrophobicContact CD2-CB 3.97Å; F41-A160 HydrophobicContact CE2-CB 4.14Å; F41-L161 HydrophobicContact CD1-CD1 3.76Å; F41-L161 HydrophobicContact CD2-CB 4.45Å; F41-L161 HydrophobicContact CE1-CB 4.38Å; F41-L161 HydrophobicContact CE1-CD1 3.56Å; F41-L161 HydrophobicContact CE2-CB 4.06Å; F41-L161 HydrophobicContact CG-CD1 4.42Å; F41-L161 HydrophobicContact CZ-CB 4.02Å; F41-L161 HydrophobicContact CZ-CD1 4.06Å
42	N	91	Very high	87.3	Confident	85 Å²	85	69.3 Å²	69.3	46%	0.455	35%	0.35	S	S	.	.			trans	-124	111.8	175.6	-175.2	-0.7	0	0	0	110.1	N31 E44 S45	N31-N42 PolarHBondContact ND2-O 2.97Å; N31-N42 PolarHBondContact OD1-N 2.72Å; N31-N42 PolarHBondContact OD1-O 3.47Å; N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact O-N 3.29Å; N42-E44 WeakPolarHBondContact OD1-CA 3.27Å; N42-E44 PolarHBondContact OD1-N 3.41Å; N42-S45 WeakPolarHBondContact O-CB 3.27Å; N42-S45 PolarHBondContact O-N 2.74Å
43	L	87.4	Confident	86.9	Confident	144 Å²	144	73.9 Å²	73.9	75%	0.754	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33	176.7	-169.8	66.7	0	0	0	111.9	F41 S45	F41-L43 HydrophobicContact CE1-CB 3.9Å; F41-L43 HydrophobicContact CE1-CD1 3.99Å; F41-L43 HydrophobicContact CZ-CD1 4.11Å; L43-S45 PolarHBondContact O-N 2.75Å
44	E	82.5	Confident	86.7	Confident	166 Å²	166	74.4 Å²	74.4	78%	0.776	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	23.2	179.5	-58	-172.3	171.7	0	0	112.3	N42 K46	N42-E44 VanDerWaalsContact C-N 3.26Å; N42-E44 PolarHBondContact O-N 3.29Å; N42-E44 WeakPolarHBondContact OD1-CA 3.27Å; N42-E44 PolarHBondContact OD1-N 3.41Å; E44-K46 PolarHBondContact O-N 3.46Å
45	S	77.4	Confident	86.7	Confident	51 Å²	51	76.6 Å²	76.6	36%	0.357	39%	0.387	S	S	.	.			trans	-55.9	114.7	177	65	0	0	0	0	110.2	N31 N42 L43	N31-S45 PolarHBondContact ND2-OG 3.02Å; N42-S45 WeakPolarHBondContact O-CB 3.27Å; N42-S45 PolarHBondContact O-N 2.74Å; L43-S45 PolarHBondContact O-N 2.75Å
46	K	77.5	Confident	86.6	Confident	192 Å²	192	78.3 Å²	78.3	84%	0.835	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-71.3	163.3	174.9	-65.4	-177.3	-178.9	176.8	0	110.2	E44 T48	E44-K46 PolarHBondContact O-N 3.46Å; K46-T48 PolarHBondContact O-N 3.38Å
47	S	81.1	Confident	86.4	Confident	62 Å²	62	80.3 Å²	80.3	43%	0.434	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-56.9	125.8	171	-68.9	0	0	0	0	110.5	S25 I49	S25-S47 PolarHBondContact OG-OG 3.02Å; S25-S47 VanDerWaalsContact OG-OG 3.1Å; S47-I49 PolarHBondContact O-N 3.41Å
48	T	71.2	Confident	86.4	Confident	19 Å²	19	79.8 Å²	79.8	12%	0.117	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-59	118.2	174	-40.8	0	0	0	0	109.7	S30 K46 E52 D71	S30-T48 PolarHBondContact OG-OG1 3.45Å; K46-T48 PolarHBondContact O-N 3.38Å; T48-E52 HydrophobicContact CG2-CG 4.11Å; T48-D71 PolarHBondContact OG1-OD2 2.87Å
49	I	67.5	Low	86.5	Confident	119 Å²	119	79.2 Å²	79.2	61%	0.61	41%	0.41	S	S	*	.			trans	-97.3	109.3	172.5	-59.1	175	0	0	0	106.2	S47	S47-I49 PolarHBondContact O-N 3.41Å
50	G	71	Confident	86.5	Confident	22 Å²	22	74.2 Å²	74.2	23%	0.227	38%	0.384	C	S	.	.	S	Bend	trans	90.1	-137.3	-174.1	0	0	0	0	0	112.6	A73	G50-A73 VanDerWaalsContact O-CB 3.32Å; G50-A73 WeakPolarHBondContact O-CB 3.46Å; G50-A73 PolarHBondContact O-N 3.16Å; G50-A73 VanDerWaalsContact O-N 3.15Å
51	V	80.2	Confident	86.5	Confident	32 Å²	32	73.3 Å²	73.3	19%	0.194	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	129.6	-175.4	-178.3	0	0	0	0	110.1	W70 D71 Y85	V51-W70 HydrophobicContact CG1-CB 4.13Å; V51-W70 HydrophobicContact CG1-CE3 3.72Å; V51-D71 VanDerWaalsContact CA-O 3.27Å; V51-D71 WeakPolarHBondContact CA-O 3.32Å; V51-D71 VanDerWaalsContact CG1-O 3.27Å; V51-D71 WeakPolarHBondContact CG1-O 3.23Å; V51-Y85 HydrophobicContact CB-CD1 4.17Å; V51-Y85 HydrophobicContact CB-CD2 4.42Å; V51-Y85 HydrophobicContact CB-CE1 3.78Å; V51-Y85 HydrophobicContact CB-CE2 4.07Å; V51-Y85 HydrophobicContact CB-CG 4.45Å; V51-Y85 HydrophobicContact CG1-CD1 3.79Å; V51-Y85 HydrophobicContact CG1-CE1 3.82Å; V51-Y85 HydrophobicContact CG1-CG 4.18Å; V51-Y85 HydrophobicContact CG2-CD1 4.06Å; V51-Y85 HydrophobicContact CG2-CD2 3.47Å; V51-Y85 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y85 HydrophobicContact CG2-CE1 3.86Å; V51-Y85 HydrophobicContact CG2-CE2 3.25Å; V51-Y85 HydrophobicContact CG2-CG 3.85Å; V51-Y85 VanDerWaalsContact CG2-CZ 3.43Å
52	E	86	Confident	86.4	Confident	93 Å²	93	73.5 Å²	73.5	44%	0.435	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.4	170.6	-68.5	-172.6	-175.5	0	0	110	L33 T48 W70 D71	L33-E52 HydrophobicContact CD2-CB 4.4Å; T48-E52 HydrophobicContact CG2-CG 4.11Å; E52-W70 CarbonylContact O-C 3.57Å; E52-W70 WeakPolarHBondContact O-CA 3.3Å; E52-D71 HydrophobicContact CB-CB 4.22Å; E52-D71 PolarHBondContact N-O 3Å; E52-D71 PolarHBondContact O-N 3Å
53	F	89.2	Confident	86.6	Confident	98 Å²	98	74.9 Å²	74.9	43%	0.43	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.9	-179.6	171.5	-102.8	0	0	0	109.7	T55 Q68 W70	F53-T55 WeakPolarHBondContact CE1-OG1 3.33Å; F53-T55 WeakPolarHBondContact CZ-OG1 3.26Å; F53-Q68 HydrophobicContact CE2-CB 3.77Å; F53-Q68 HydrophobicContact CE2-CG 3.79Å; F53-Q68 HydrophobicContact CZ-CB 4.35Å; F53-Q68 HydrophobicContact CZ-CG 3.87Å; F53-W70 HydrophobicContact CB-CE3 4.16Å; F53-W70 HydrophobicContact CB-CZ3 4.21Å; F53-W70 AromaticContact CD2-CD2 3.72Å; F53-W70 HydrophobicContact CD2-CD2 3.72Å; F53-W70 AromaticContact CD2-CE2 3.48Å; F53-W70 VanDerWaalsContact CD2-CE2 3.48Å; F53-W70 HydrophobicContact CD2-CE3 4.02Å; F53-W70 HydrophobicContact CD2-CG 4.28Å; F53-W70 HydrophobicContact CD2-CH2 4Å; F53-W70 AromaticContact CD2-CZ2 3.65Å; F53-W70 HydrophobicContact CD2-CZ2 3.65Å; F53-W70 HydrophobicContact CD2-CZ3 4.15Å; F53-W70 AromaticContact CD2-NE1 3.83Å; F53-W70 HydrophobicContact CE2-CD2 4.45Å; F53-W70 AromaticContact CE2-CE2 3.77Å; F53-W70 HydrophobicContact CE2-CH2 4.46Å; F53-W70 AromaticContact CE2-CZ2 3.8Å; F53-W70 HydrophobicContact CE2-CZ2 3.8Å; F53-W70 AromaticContact CE2-NE1 3.84Å; F53-W70 HydrophobicContact CG-CH2 4.48Å; F53-W70 HydrophobicContact CG-CZ3 4.45Å
54	A	93.9	Very high	87	Confident	12 Å²	12	69.6 Å²	69.6	10%	0.099	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.5	169.1	0	0	0	0	0	110.5	L33 T37 I69	L33-A54 HydrophobicContact CD1-CB 3.94Å; L33-A54 HydrophobicContact CD2-CB 4.21Å; L33-A54 HydrophobicContact CG-CB 4.21Å; T37-A54 HydrophobicContact CG2-CB 3.86Å; A54-I69 PolarHBondContact N-O 3.15Å; A54-I69 PolarHBondContact O-N 2.83Å
55	T	94.3	Very high	87.7	Confident	55 Å²	55	61.7 Å²	61.7	34%	0.337	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.7	174	-60.3	0	0	0	0	109.7	F53 K66 A67	F53-T55 WeakPolarHBondContact CE1-OG1 3.33Å; F53-T55 WeakPolarHBondContact CZ-OG1 3.26Å; T55-K66 HydrophobicContact CG2-CD 4.04Å; T55-K66 HydrophobicContact CG2-CG 3.42Å; T55-K66 VanDerWaalsContact CG2-CG 3.42Å; T55-A67 CarbonylContact C-O 3.59Å; T55-A67 VanDerWaalsContact CA-O 3.25Å; T55-A67 WeakPolarHBondContact CA-O 3.47Å
56	K	95.1	Very high	88.6	Confident	77 Å²	77	60.7 Å²	60.7	34%	0.335	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	124.4	172.8	-172.9	68.4	169.7	-170.8	0	109.4	F36 T37 V58 A67	F36-K56 HydrophobicContact CE1-CB 3.92Å; F36-K56 HydrophobicContact CE1-CG 3.85Å; F36-K56 HydrophobicContact CZ-CG 4.05Å; T37-K56 HydrophobicContact CG2-CB 4.32Å; T37-K56 PolarHBondContact O-NZ 3.19Å; K56-V58 HydrophobicContact CG-CG1 4.11Å; K56-A67 PolarHBondContact N-O 3.47Å; K56-A67 WeakPolarHBondContact O-CB 3.48Å; K56-A67 PolarHBondContact O-N 3.43Å
57	S	95.3	Very high	89.5	Confident	53 Å²	53	51.5 Å²	51.5	37%	0.371	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.1	169.2	-59.2	0	0	0	0	109.4	I65	S57-I65 CarbonylContact C-O 3.57Å; S57-I65 WeakPolarHBondContact CA-O 3.42Å
58	V	95.8	Very high	90.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.03	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.2	175.8	-59.8	0	0	0	0	110.1	F36 K56 I60 I65 Y171 L174	F36-V58 HydrophobicContact CZ-CG1 4.12Å; K56-V58 HydrophobicContact CG-CG1 4.11Å; V58-I60 HydrophobicContact CG2-CD1 4.23Å; V58-I60 HydrophobicContact CG2-CG1 4.16Å; V58-I65 HydrophobicContact CG2-CB 4.03Å; V58-I65 PolarHBondContact N-O 2.91Å; V58-I65 PolarHBondContact O-N 2.98Å; V58-Y171 HydrophobicContact CB-CE1 3.81Å; V58-Y171 HydrophobicContact CG1-CE1 4.09Å; V58-Y171 HydrophobicContact CG1-CE2 4.37Å; V58-Y171 HydrophobicContact CG2-CE1 4.38Å; V58-L174 HydrophobicContact CG2-CD1 3.8Å
59	E	96	Very high	91.5	Very high	110 Å²	110	49.7 Å²	49.7	51%	0.514	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.7	174.1	-74.5	-64.4	144.3	0	0	109.9	R63 T64	E59-R63 WeakPolarHBondContact CA-O 3.41Å; E59-T64 WeakPolarHBondContact OE1-CA 3.3Å; E59-T64 VanDerWaalsContact OE1-CB 3.3Å; E59-T64 WeakPolarHBondContact OE1-CB 3.46Å; E59-T64 PolarHBondContact OE1-OG1 2.99Å
60	I	95.3	Very high	92.8	Very high	3 Å²	3	46 Å²	46	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.9	174.2	-56.7	-171.5	0	0	0	108.2	V58 G62 R63 I65 Y171 L174 R175 F178	V58-I60 HydrophobicContact CG2-CD1 4.23Å; V58-I60 HydrophobicContact CG2-CG1 4.16Å; I60-G62 PolarHBondContact O-N 3.41Å; I60-R63 PolarHBondContact N-O 3.15Å; I60-R63 WeakPolarHBondContact O-CB 3.43Å; I60-R63 PolarHBondContact O-N 3.09Å; I60-I65 HydrophobicContact CB-CD1 3.72Å; I60-I65 HydrophobicContact CD1-CD1 3.72Å; I60-I65 HydrophobicContact CG1-CD1 3.84Å; I60-Y171 HydrophobicContact CD1-CD1 4.29Å; I60-Y171 HydrophobicContact CG1-CD1 4.37Å; I60-L174 HydrophobicContact CD1-CB 3.82Å; I60-R175 HydrophobicContact CD1-CB 4.13Å; I60-R175 HydrophobicContact CG2-CB 4.37Å; I60-R175 HydrophobicContact CG2-CG 4.05Å; I60-F178 HydrophobicContact CG2-CD1 3.99Å
61	D	93.5	Very high	93.8	Very high	78 Å²	78	45 Å²	45	42%	0.417	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	39.5	179.8	-63.2	-3.7	0	0	0	113.9	R63 R175 F178 R182	D61-R63 VanDerWaalsContact C-N 3.27Å; D61-R63 PolarHBondContact O-N 3.28Å; D61-R175 IonicContact OD1-CZ 2.78Å; D61-R175 IonicContact OD1-NH1 3.84Å; D61-R175 IonicContact OD1-NH2 2.69Å; D61-R175 PolarHBondContact OD1-NH2 2.84Å; D61-R175 IonicContact OD2-NH2 3.32Å; D61-F178 HydrophobicContact CB-CE1 3.93Å; D61-R182 IonicContact OD2-NH1 3.53Å
62	G	93.7	Very high	94.1	Very high	67 Å²	67	43.4 Å²	43.4	69%	0.691	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	17.5	-179.6	0	0	0	0	0	114.4	I60	I60-G62 PolarHBondContact O-N 3.41Å
63	R	95.3	Very high	93.9	Very high	114 Å²	114	39 Å²	39	43%	0.43	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.7	173.1	-59.9	-61.5	-174.3	170.1	-1.7	110.4	D14 Y15 E59 I60 D61 I65 F178	D14-R63 HydrophobicContact CB-CB 4.26Å; D14-R63 IonicContact OD1-NH1 3.64Å; D14-R63 PolarHBondContact OD1-NH1 3.43Å; D14-R63 VanDerWaalsContact OD2-CA 3.3Å; D14-R63 WeakPolarHBondContact OD2-CA 3.43Å; Y15-R63 HydrophobicContact CD2-CB 4.23Å; Y15-R63 HydrophobicContact CE2-CB 4.1Å; Y15-R63 HydrophobicContact CE2-CG 4.05Å; E59-R63 WeakPolarHBondContact CA-O 3.41Å; I60-R63 PolarHBondContact N-O 3.15Å; I60-R63 WeakPolarHBondContact O-CB 3.43Å; I60-R63 PolarHBondContact O-N 3.09Å; D61-R63 VanDerWaalsContact C-N 3.27Å; D61-R63 PolarHBondContact O-N 3.28Å; R63-I65 PolarHBondContact O-N 3.23Å; R63-F178 HydrophobicContact CB-CE2 4.15Å; R63-F178 HydrophobicContact CB-CZ 4.21Å; R63-F178 HydrophobicContact CG-CE2 3.92Å; R63-F178 HydrophobicContact CG-CZ 3.73Å
64	T	96	Very high	93.1	Very high	33 Å²	33	34.8 Å²	34.8	20%	0.202	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	114	173.9	-48.1	0	0	0	0	109.4	D14 Y15 E59	D14-T64 PolarHBondContact N-O 3.17Å; D14-T64 PolarHBondContact OD2-N 3.36Å; Y15-T64 PolarHBondContact N-O 2.91Å; E59-T64 WeakPolarHBondContact OE1-CA 3.3Å; E59-T64 VanDerWaalsContact OE1-CB 3.3Å; E59-T64 WeakPolarHBondContact OE1-CB 3.46Å; E59-T64 PolarHBondContact OE1-OG1 2.99Å
65	I	96.5	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.8	176.3	-59.2	170.6	0	0	0	108.5	Y15 F17 S57 V58 I60 R63 L174 F178	Y15-I65 HydrophobicContact CD2-CG1 4.43Å; F17-I65 HydrophobicContact CB-CG2 4.44Å; F17-I65 HydrophobicContact CD2-CG2 3.41Å; F17-I65 VanDerWaalsContact CD2-CG2 3.41Å; F17-I65 HydrophobicContact CE2-CD1 3.93Å; F17-I65 HydrophobicContact CE2-CG1 4.34Å; F17-I65 HydrophobicContact CE2-CG2 3.77Å; F17-I65 HydrophobicContact CG-CG2 4.03Å; S57-I65 CarbonylContact C-O 3.57Å; S57-I65 WeakPolarHBondContact CA-O 3.42Å; V58-I65 HydrophobicContact CG2-CB 4.03Å; V58-I65 PolarHBondContact N-O 2.91Å; V58-I65 PolarHBondContact O-N 2.98Å; I60-I65 HydrophobicContact CB-CD1 3.72Å; I60-I65 HydrophobicContact CD1-CD1 3.72Å; I60-I65 HydrophobicContact CG1-CD1 3.84Å; R63-I65 PolarHBondContact O-N 3.23Å; I65-L174 HydrophobicContact CG2-CD2 4.46Å; I65-F178 HydrophobicContact CD1-CB 3.89Å; I65-F178 HydrophobicContact CD1-CD2 4.16Å; I65-F178 HydrophobicContact CD1-CG 4.05Å
66	K	96.9	Very high	90.9	Very high	30 Å²	30	41 Å²	41	13%	0.13	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	105.7	170.5	-166	163.1	-171.8	162	0	108.4	D10 D11 Y13 Y15 L16 F17 T55	D10-K66 PolarHBondContact O-NZ 2.94Å; D11-K66 IonicContact OD1-NZ 3.55Å; D11-K66 PolarHBondContact OD1-NZ 3.15Å; Y13-K66 HydrophobicContact CD1-CB 3.97Å; Y13-K66 HydrophobicContact CD1-CD 3.41Å; Y13-K66 VanDerWaalsContact CD1-CD 3.41Å; Y13-K66 HydrophobicContact CD1-CG 4.33Å; Y13-K66 HydrophobicContact CD2-CB 4.26Å; Y13-K66 HydrophobicContact CE1-CD 3.75Å; Y13-K66 HydrophobicContact CG-CB 3.74Å; Y13-K66 HydrophobicContact CG-CD 4.1Å; Y15-K66 PolarHBondContact O-N 3.09Å; L16-K66 WeakPolarHBondContact CA-O 3.17Å; L16-K66 HydrophobicContact CD1-CB 3.91Å; L16-K66 HydrophobicContact CD1-CD 4.37Å; L16-K66 HydrophobicContact CD1-CG 4.02Å; L16-K66 WeakPolarHBondContact CD1-O 3.41Å; F17-K66 PolarHBondContact N-O 3.15Å; T55-K66 HydrophobicContact CG2-CD 4.04Å; T55-K66 HydrophobicContact CG2-CG 3.42Å; T55-K66 VanDerWaalsContact CG2-CG 3.42Å
67	A	97	Very high	90	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.4	175.9	0	0	0	0	0	110.1	F17 T55 K56 I69 L174	F17-A67 CarbonylContact O-C 3.59Å; F17-A67 WeakPolarHBondContact O-CA 3.46Å; T55-A67 CarbonylContact C-O 3.59Å; T55-A67 VanDerWaalsContact CA-O 3.25Å; T55-A67 WeakPolarHBondContact CA-O 3.47Å; K56-A67 PolarHBondContact N-O 3.47Å; K56-A67 WeakPolarHBondContact O-CB 3.48Å; K56-A67 PolarHBondContact O-N 3.43Å; A67-I69 HydrophobicContact CB-CD1 4.42Å; A67-I69 HydrophobicContact CB-CG1 4.24Å; A67-L174 HydrophobicContact CB-CD1 3.88Å; A67-L174 HydrophobicContact CB-CD2 3.75Å; A67-L174 HydrophobicContact CB-CG 4.48Å
68	Q	96.6	Very high	89.1	Confident	42 Å²	42	45.3 Å²	45.3	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	107.7	169.1	-77.9	-167.5	11.4	0	0	109.1	L16 F17 K18 V19 F53	L16-Q68 HydrophobicContact CD1-CG 3.84Å; F17-Q68 PolarHBondContact O-N 2.9Å; K18-Q68 WeakPolarHBondContact CA-O 3.43Å; V19-Q68 PolarHBondContact N-O 2.77Å; F53-Q68 HydrophobicContact CE2-CB 3.77Å; F53-Q68 HydrophobicContact CE2-CG 3.79Å; F53-Q68 HydrophobicContact CZ-CB 4.35Å; F53-Q68 HydrophobicContact CZ-CG 3.87Å
69	I	96.6	Very high	87.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.6	-173.4	-50	166.9	0	0	0	109.4	V19 L21 L33 F36 T37 A54 A67 F170	V19-I69 HydrophobicContact CB-CG1 4.45Å; V19-I69 VanDerWaalsContact O-CA 3.3Å; V19-I69 WeakPolarHBondContact O-CA 3.36Å; L21-I69 HydrophobicContact CD1-CG2 4.25Å; L21-I69 HydrophobicContact CD2-CG2 4.14Å; L21-I69 HydrophobicContact CG-CG2 3.96Å; L33-I69 HydrophobicContact CD1-CB 3.65Å; L33-I69 HydrophobicContact CD1-CD1 4.24Å; L33-I69 HydrophobicContact CD1-CG2 3.48Å; L33-I69 VanDerWaalsContact CD1-CG2 3.48Å; F36-I69 HydrophobicContact CD1-CD1 3.57Å; F36-I69 HydrophobicContact CE1-CD1 3.6Å; T37-I69 HydrophobicContact CG2-CD1 4.41Å; A54-I69 PolarHBondContact N-O 3.15Å; A54-I69 PolarHBondContact O-N 2.83Å; A67-I69 HydrophobicContact CB-CD1 4.42Å; A67-I69 HydrophobicContact CB-CG1 4.24Å; I69-F170 HydrophobicContact CD1-CD1 3.88Å; I69-F170 HydrophobicContact CD1-CE1 3.76Å; I69-F170 HydrophobicContact CG1-CE1 4.48Å; I69-F170 HydrophobicContact CG2-CE1 4.04Å
70	W	94.6	Very high	86.8	Confident	41 Å²	41	47.1 Å²	47.1	16%	0.155	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111.6	-178.1	-60.2	78.6	0	0	0	109.4	V19 V20 L21 V51 E52 F53 Y85	V19-W70 PolarHBondContact O-N 2.86Å; V20-W70 WeakPolarHBondContact CA-O 3.35Å; V20-W70 HydrophobicContact CG1-CB 4.23Å; L21-W70 PolarHBondContact N-O 2.92Å; V51-W70 HydrophobicContact CG1-CB 4.13Å; V51-W70 HydrophobicContact CG1-CE3 3.72Å; E52-W70 CarbonylContact O-C 3.57Å; E52-W70 WeakPolarHBondContact O-CA 3.3Å; F53-W70 HydrophobicContact CB-CE3 4.16Å; F53-W70 HydrophobicContact CB-CZ3 4.21Å; F53-W70 AromaticContact CD2-CD2 3.72Å; F53-W70 HydrophobicContact CD2-CD2 3.72Å; F53-W70 AromaticContact CD2-CE2 3.48Å; F53-W70 VanDerWaalsContact CD2-CE2 3.48Å; F53-W70 HydrophobicContact CD2-CE3 4.02Å; F53-W70 HydrophobicContact CD2-CG 4.28Å; F53-W70 HydrophobicContact CD2-CH2 4Å; F53-W70 AromaticContact CD2-CZ2 3.65Å; F53-W70 HydrophobicContact CD2-CZ2 3.65Å; F53-W70 HydrophobicContact CD2-CZ3 4.15Å; F53-W70 AromaticContact CD2-NE1 3.83Å; F53-W70 HydrophobicContact CE2-CD2 4.45Å; F53-W70 AromaticContact CE2-CE2 3.77Å; F53-W70 HydrophobicContact CE2-CH2 4.46Å; F53-W70 AromaticContact CE2-CZ2 3.8Å; F53-W70 HydrophobicContact CE2-CZ2 3.8Å; F53-W70 AromaticContact CE2-NE1 3.84Å; F53-W70 HydrophobicContact CG-CH2 4.48Å; F53-W70 HydrophobicContact CG-CZ3 4.45Å; W70-Y85 HydrophobicContact CD2-CD1 4.17Å; W70-Y85 AromaticContact CE3-CD1 3.45Å; W70-Y85 HydrophobicContact CE3-CD1 3.45Å; W70-Y85 VanDerWaalsContact CE3-CD1 3.45Å; W70-Y85 AromaticContact CE3-CE1 3.71Å; W70-Y85 HydrophobicContact CE3-CE1 3.71Å; W70-Y85 AromaticContact CZ3-CD1 3.71Å; W70-Y85 HydrophobicContact CZ3-CD1 3.71Å; W70-Y85 AromaticContact CZ3-CE1 3.57Å; W70-Y85 HydrophobicContact CZ3-CE1 3.57Å
71	D	91.6	Very high	85.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.5	171.2	174.6	39.5	0	0	0	109.9	L21 K29 S30 L33 T48 V51 E52	L21-D71 HydrophobicContact CD1-CB 4.32Å; K29-D71 WeakPolarHBondContact CB-OD1 3.27Å; S30-D71 WeakPolarHBondContact CA-OD2 3.48Å; S30-D71 VanDerWaalsContact CB-OD2 3.23Å; S30-D71 WeakPolarHBondContact CB-OD2 3.29Å; S30-D71 PolarHBondContact OG-OD2 2.99Å; L33-D71 HydrophobicContact CD2-CB 3.69Å; T48-D71 PolarHBondContact OG1-OD2 2.87Å; V51-D71 VanDerWaalsContact CA-O 3.27Å; V51-D71 WeakPolarHBondContact CA-O 3.32Å; V51-D71 VanDerWaalsContact CG1-O 3.27Å; V51-D71 WeakPolarHBondContact CG1-O 3.23Å; E52-D71 HydrophobicContact CB-CB 4.22Å; E52-D71 PolarHBondContact N-O 3Å; E52-D71 PolarHBondContact O-N 3Å
72	T	86.7	Confident	85.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	150.6	-175.4	66.6	0	0	0	0	112.6	L21 K29 G74 T82 Y86	L21-T72 WeakPolarHBondContact O-CB 3.31Å; L21-T72 PolarHBondContact O-N 3.33Å; L21-T72 PolarHBondContact O-OG1 3.35Å; K29-T72 WeakPolarHBondContact CE-O 3.2Å; T72-G74 PolarHBondContact O-N 3.25Å; T72-T82 HydrophobicContact CG2-CG2 3.99Å; T72-Y86 HydrophobicContact CG2-CE1 4.21Å
73	A	81.6	Confident	84.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.008	21%	0.212	C	C	.	.			trans	-60.4	126.7	172.5	0	0	0	0	0	110.9	G50 Q75 Y78	G50-A73 VanDerWaalsContact O-CB 3.32Å; G50-A73 WeakPolarHBondContact O-CB 3.46Å; G50-A73 PolarHBondContact O-N 3.16Å; G50-A73 VanDerWaalsContact O-N 3.15Å; A73-Q75 VanDerWaalsContact C-N 3.26Å; A73-Q75 PolarHBondContact O-N 2.85Å; A73-Y78 HydrophobicContact CB-CD2 3.97Å; A73-Y78 HydrophobicContact CB-CG 4.43Å
74	G	72.5	Confident	83.9	Confident	9 Å²	9	40.5 Å²	40.5	9%	0.093	21%	0.206	C	C	.	.			trans	-86.5	9.7	176.3	0	0	0	0	0	114.4	G23 D24 S25 T72	G23-G74 WeakPolarHBondContact O-CA 3.44Å; D24-G74 CarbonylContact C-O 3.56Å; S25-G74 PolarHBondContact N-O 3.3Å; T72-G74 PolarHBondContact O-N 3.25Å
75	Q	76.4	Confident	83.5	Confident	65 Å²	65	41 Å²	41	30%	0.304	21%	0.205	S	C	.	.			trans	-93.2	125.9	179	-74	-72.8	-8.4	0	0	109.3	S25 A73 R77 Y78	S25-Q75 PolarHBondContact OG-NE2 2.99Å; A73-Q75 VanDerWaalsContact C-N 3.26Å; A73-Q75 PolarHBondContact O-N 2.85Å; Q75-R77 HydrophobicContact CB-CG 4.23Å; Q75-R77 PolarHBondContact O-N 2.83Å; Q75-R77 VanDerWaalsContact O-N 3.14Å; Q75-Y78 HydrophobicContact CB-CD2 3.74Å; Q75-Y78 HydrophobicContact CB-CE2 4.16Å; Q75-Y78 PolarHBondContact O-N 2.83Å
76	E	66.6	Low	83.2	Confident	133 Å²	133	41 Å²	41	62%	0.621	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-52.3	-37.5	-178.7	66.9	-149	-174.9	0	0	113.7	Y78 R79	E76-Y78 PolarHBondContact O-N 2.64Å; E76-R79 VanDerWaalsContact O-CB 3.29Å; E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 WeakPolarHBondContact O-CD 3.35Å; E76-R79 WeakPolarHBondContact O-CG 2.92Å; E76-R79 PolarHBondContact O-N 2.97Å
77	R	75.8	Confident	82.9	Confident	181 Å²	181	46.9 Å²	46.9	68%	0.683	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-63	-14.8	179.5	67.8	-179.7	-65.9	165.2	1.1	114.1	Q75	Q75-R77 HydrophobicContact CB-CG 4.23Å; Q75-R77 PolarHBondContact O-N 2.83Å; Q75-R77 VanDerWaalsContact O-N 3.14Å
78	Y	75.9	Confident	82.6	Confident	38 Å²	38	48.4 Å²	48.4	15%	0.149	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-105.6	5.6	177.3	-58	-50.7	0	0	0	113.1	A73 Q75 E76 A80 I81 T82 P205	A73-Y78 HydrophobicContact CB-CD2 3.97Å; A73-Y78 HydrophobicContact CB-CG 4.43Å; Q75-Y78 HydrophobicContact CB-CD2 3.74Å; Q75-Y78 HydrophobicContact CB-CE2 4.16Å; Q75-Y78 PolarHBondContact O-N 2.83Å; E76-Y78 PolarHBondContact O-N 2.64Å; Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 2.7Å; Y78-I81 HydrophobicContact CD1-CD1 4.49Å; Y78-I81 WeakPolarHBondContact O-CA 3.23Å; Y78-I81 WeakPolarHBondContact O-CB 3.02Å; Y78-I81 PolarHBondContact O-N 3.24Å; Y78-T82 PolarHBondContact O-N 3.38Å; Y78-T82 PolarHBondContact O-OG1 3.21Å; Y78-P205 HydrophobicContact CE1-CG 4.1Å
79	R	71.2	Confident	82.6	Confident	59 Å²	59	46.4 Å²	46.4	22%	0.223	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-40	-176.8	-81	173	177.4	169.3	-3.1	114.6	E76 I81 T82 A83 H109 E113	E76-R79 VanDerWaalsContact O-CB 3.29Å; E76-R79 WeakPolarHBondContact O-CB 3.48Å; E76-R79 WeakPolarHBondContact O-CD 3.35Å; E76-R79 WeakPolarHBondContact O-CG 2.92Å; E76-R79 PolarHBondContact O-N 2.97Å; R79-I81 PolarHBondContact O-N 3.27Å; R79-T82 PolarHBondContact O-N 2.97Å; R79-T82 VanDerWaalsContact O-N 3.11Å; R79-A83 PolarHBondContact O-N 2.77Å; R79-H109 VanDerWaalsContact CZ-CE1 3.46Å; R79-H109 PolarHBondContact NH1-CD2 3.37Å; R79-H109 PolarHBondContact NH1-CE1 3.13Å; R79-H109 PolarHBondContact NH1-NE2 2.78Å; R79-H109 PolarHBondContact NH2-CD2 3.01Å; R79-H109 PolarHBondContact NH2-NE2 3.22Å; R79-E113 VanDerWaalsContact CD-OE2 3.29Å; R79-E113 WeakPolarHBondContact CD-OE2 3.39Å; R79-E113 WeakPolarHBondContact CG-OE2 3.48Å; R79-E113 IonicContact NE-OE2 3.67Å
80	A	73.1	Confident	82.6	Confident	94 Å²	94	47.5 Å²	47.5	78%	0.777	24%	0.239	S	C	*	.	H	α-helix	trans	-59.9	-32.7	177.6	0	0	0	0	0	112.6	Y78	Y78-A80 VanDerWaalsContact C-N 3.3Å; Y78-A80 PolarHBondContact O-N 2.7Å
81	I	74.6	Confident	82.7	Confident	73 Å²	73	45.6 Å²	45.6	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-76.5	-45.9	175	-63.7	172.1	0	0	0	109.2	Y78 R79 A83 A84 Y85	Y78-I81 HydrophobicContact CD1-CD1 4.49Å; Y78-I81 WeakPolarHBondContact O-CA 3.23Å; Y78-I81 WeakPolarHBondContact O-CB 3.02Å; Y78-I81 PolarHBondContact O-N 3.24Å; R79-I81 PolarHBondContact O-N 3.27Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 2.54Å; I81-A84 WeakPolarHBondContact O-CB 3.17Å; I81-A84 PolarHBondContact O-N 2.8Å; I81-Y85 HydrophobicContact CG2-CE2 3.74Å; I81-Y85 WeakPolarHBondContact O-CD2 3.33Å; I81-Y85 WeakPolarHBondContact O-CE2 3.48Å
82	T	77.3	Confident	83	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.2	-42.1	179.8	-61.1	0	0	0	0	113.2	T72 Y78 R79 A84 Y85 Y86	T72-T82 HydrophobicContact CG2-CG2 3.99Å; Y78-T82 PolarHBondContact O-N 3.38Å; Y78-T82 PolarHBondContact O-OG1 3.21Å; R79-T82 PolarHBondContact O-N 2.97Å; R79-T82 VanDerWaalsContact O-N 3.11Å; T82-A84 PolarHBondContact O-N 3.45Å; T82-A84 VanDerWaalsContact O-N 3.15Å; T82-Y85 WeakPolarHBondContact O-CB 3.27Å; T82-Y85 PolarHBondContact O-N 2.94Å; T82-Y86 HydrophobicContact CG2-CE1 3.67Å; T82-Y86 HydrophobicContact CG2-CE2 4.06Å; T82-Y86 WeakPolarHBondContact CG2-OH 3.21Å
83	A	79.9	Confident	83.6	Confident	13 Å²	13	45.6 Å²	45.6	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-31.9	179.8	0	0	0	0	0	113.5	R79 I81 Y85 Y86	R79-A83 PolarHBondContact O-N 2.77Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 2.54Å; A83-Y85 PolarHBondContact O-N 3.25Å; A83-Y86 PolarHBondContact O-N 2.96Å
84	A	85.1	Confident	84.4	Confident	37 Å²	37	45.6 Å²	45.6	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-65.5	-29.1	176.4	0	0	0	0	0	112.6	I81 T82	I81-A84 WeakPolarHBondContact O-CB 3.17Å; I81-A84 PolarHBondContact O-N 2.8Å; T82-A84 PolarHBondContact O-N 3.45Å; T82-A84 VanDerWaalsContact O-N 3.15Å
85	Y	86.8	Confident	85.6	Confident	43 Å²	43	45.1 Å²	45.1	17%	0.169	23%	0.227	C	C	.	.	H	α-helix	trans	-80.6	-20.9	-179.5	-64.4	-87.6	0	0	0	113.1	K18 V51 W70 I81 T82 A83 R87	K18-Y85 WeakPolarHBondContact CE-O 3.29Å; K18-Y85 PolarHBondContact NZ-O 3.34Å; V51-Y85 HydrophobicContact CB-CD1 4.17Å; V51-Y85 HydrophobicContact CB-CD2 4.42Å; V51-Y85 HydrophobicContact CB-CE1 3.78Å; V51-Y85 HydrophobicContact CB-CE2 4.07Å; V51-Y85 HydrophobicContact CB-CG 4.45Å; V51-Y85 HydrophobicContact CG1-CD1 3.79Å; V51-Y85 HydrophobicContact CG1-CE1 3.82Å; V51-Y85 HydrophobicContact CG1-CG 4.18Å; V51-Y85 HydrophobicContact CG2-CD1 4.06Å; V51-Y85 HydrophobicContact CG2-CD2 3.47Å; V51-Y85 VanDerWaalsContact CG2-CD2 3.47Å; V51-Y85 HydrophobicContact CG2-CE1 3.86Å; V51-Y85 HydrophobicContact CG2-CE2 3.25Å; V51-Y85 HydrophobicContact CG2-CG 3.85Å; V51-Y85 VanDerWaalsContact CG2-CZ 3.43Å; W70-Y85 HydrophobicContact CD2-CD1 4.17Å; W70-Y85 AromaticContact CE3-CD1 3.45Å; W70-Y85 HydrophobicContact CE3-CD1 3.45Å; W70-Y85 VanDerWaalsContact CE3-CD1 3.45Å; W70-Y85 AromaticContact CE3-CE1 3.71Å; W70-Y85 HydrophobicContact CE3-CE1 3.71Å; W70-Y85 AromaticContact CZ3-CD1 3.71Å; W70-Y85 HydrophobicContact CZ3-CD1 3.71Å; W70-Y85 AromaticContact CZ3-CE1 3.57Å; W70-Y85 HydrophobicContact CZ3-CE1 3.57Å; I81-Y85 HydrophobicContact CG2-CE2 3.74Å; I81-Y85 WeakPolarHBondContact O-CD2 3.33Å; I81-Y85 WeakPolarHBondContact O-CE2 3.48Å; T82-Y85 WeakPolarHBondContact O-CB 3.27Å; T82-Y85 PolarHBondContact O-N 2.94Å; A83-Y85 PolarHBondContact O-N 3.25Å; Y85-R87 VanDerWaalsContact C-N 3.33Å
86	Y	91.2	Very high	86.7	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70.3	-28.4	175	-60.6	-22.6	0	0	0	113	V20 T22 T72 T82 A83 G88 A89 E113 L114 H117 A118	V20-Y86 HydrophobicContact CB-CD1 4.35Å; V20-Y86 HydrophobicContact CG1-CD1 4.37Å; V20-Y86 HydrophobicContact CG2-CD1 4.01Å; V20-Y86 HydrophobicContact CG2-CE1 4.35Å; T22-Y86 PolarHBondContact OG1-OH 3.1Å; T72-Y86 HydrophobicContact CG2-CE1 4.21Å; T82-Y86 HydrophobicContact CG2-CE1 3.67Å; T82-Y86 HydrophobicContact CG2-CE2 4.06Å; T82-Y86 WeakPolarHBondContact CG2-OH 3.21Å; A83-Y86 PolarHBondContact O-N 2.96Å; Y86-G88 PolarHBondContact O-N 3.15Å; Y86-A89 WeakPolarHBondContact O-CB 3.36Å; Y86-A89 PolarHBondContact O-N 2.85Å; Y86-E113 HydrophobicContact CE2-CB 4.4Å; Y86-E113 HydrophobicContact CE2-CG 3.92Å; Y86-E113 WeakPolarHBondContact CE2-OE1 3.36Å; Y86-L114 HydrophobicContact CD1-CD1 3.83Å; Y86-L114 HydrophobicContact CD2-CD1 4.27Å; Y86-L114 HydrophobicContact CE1-CD1 4.19Å; Y86-L114 HydrophobicContact CG-CD1 3.88Å; Y86-H117 HydrophobicContact CD2-CB 4.12Å; Y86-A118 WeakPolarHBondContact O-CA 3.35Å
87	R	90	Very high	88.2	Confident	155 Å²	155	35.7 Å²	35.7	59%	0.585	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	128.7	-180	-173.6	178.2	-68.7	122.8	-0.8	111.4	K18 Y85 A89 H117	K18-R87 PolarHBondContact NZ-O 3.02Å; Y85-R87 VanDerWaalsContact C-N 3.33Å; R87-A89 PolarHBondContact O-N 3.5Å; R87-H117 WeakPolarHBondContact CA-O 3.44Å
88	G	91.5	Very high	89.3	Confident	31 Å²	31	27.1 Å²	27.1	32%	0.32	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	7.8	-177.2	0	0	0	0	0	114.8	Y86 V90 E119	Y86-G88 PolarHBondContact O-N 3.15Å; G88-V90 PolarHBondContact O-N 3.41Å; G88-E119 WeakPolarHBondContact CA-OE1 3.5Å; G88-E119 PolarHBondContact N-OE1 2.93Å
89	A	95.6	Very high	90.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.151	C	C	.	.			trans	-71.4	126.2	169.4	0	0	0	0	0	109.2	K18 V20 Y86 R87 I122	K18-A89 HydrophobicContact CG-CB 4.43Å; V20-A89 HydrophobicContact CG1-CB 3.74Å; V20-A89 HydrophobicContact CG2-CB 4.11Å; Y86-A89 WeakPolarHBondContact O-CB 3.36Å; Y86-A89 PolarHBondContact O-N 2.85Å; R87-A89 PolarHBondContact O-N 3.5Å; A89-I122 HydrophobicContact CB-CD1 4.09Å
90	V	96.1	Very high	91.6	Very high	25 Å²	25	28.4 Å²	28.4	15%	0.152	16%	0.161	C	C	.	.	S	Bend	trans	-98.5	-13.4	176.3	-66	0	0	0	0	111.7	F17 K18 G88 V123 I177 M192	F17-V90 HydrophobicContact CB-CG2 4.01Å; F17-V90 HydrophobicContact CD1-CG2 4.3Å; F17-V90 HydrophobicContact CG-CG2 4.34Å; K18-V90 WeakPolarHBondContact O-CG2 3.23Å; K18-V90 PolarHBondContact O-N 2.93Å; G88-V90 PolarHBondContact O-N 3.41Å; V90-V123 PolarHBondContact O-N 3.34Å; V90-I177 HydrophobicContact CB-CG2 4.23Å; V90-I177 HydrophobicContact CG2-CD1 4.3Å; V90-I177 HydrophobicContact CG2-CG2 3.92Å; V90-M192 HydrophobicContact CG1-CE 4.09Å
91	G	97.8	Very high	92.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.2	173.9	0	0	0	0	0	113.1	K18 V19 V20 V123	K18-G91 PolarHBondContact O-N 3.18Å; V19-G91 CarbonylContact C-O 3.57Å; V19-G91 VanDerWaalsContact CA-O 3.27Å; V19-G91 WeakPolarHBondContact CA-O 3.36Å; V20-G91 PolarHBondContact N-O 3.43Å; G91-V123 CarbonylContact C-O 3.6Å; G91-V123 VanDerWaalsContact CA-O 3.23Å; G91-V123 WeakPolarHBondContact CA-O 3.4Å
92	A	98.1	Very high	93.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.2	167.5	0	0	0	0	0	113.5	V20 L114 I122 V123 I124 M125 I173	V20-A92 HydrophobicContact CG2-CB 3.64Å; V20-A92 CarbonylContact O-C 3.3Å; V20-A92 VanDerWaalsContact O-CA 3.25Å; V20-A92 WeakPolarHBondContact O-CA 3.46Å; A92-L114 HydrophobicContact CB-CD1 4.12Å; A92-L114 HydrophobicContact CB-CD2 3.42Å; A92-L114 VanDerWaalsContact CB-CD2 3.42Å; A92-L114 HydrophobicContact CB-CG 4.39Å; A92-I122 HydrophobicContact CB-CD1 3.89Å; A92-V123 PolarHBondContact N-O 2.96Å; A92-I124 HydrophobicContact CB-CG1 4.39Å; A92-I124 HydrophobicContact CB-CG2 4.49Å; A92-I124 WeakPolarHBondContact O-CA 3.49Å; A92-M125 PolarHBondContact O-N 2.9Å; A92-I173 WeakPolarHBondContact O-CD1 3.06Å
93	L	98.7	Very high	94.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.2	159.8	-55.5	-173.5	0	0	0	108.5	V20 L21 T22 V95 M125 V127 F170 I173	V20-L93 PolarHBondContact O-N 3.41Å; L21-L93 HydrophobicContact CD2-CB 3.65Å; L21-L93 HydrophobicContact CD2-CD1 3.64Å; L21-L93 HydrophobicContact CD2-CG 3.79Å; T22-L93 PolarHBondContact N-O 2.93Å; L93-V95 HydrophobicContact CB-CG2 4.18Å; L93-M125 WeakPolarHBondContact CA-O 3.48Å; L93-M125 HydrophobicContact CD2-CB 3.81Å; L93-M125 HydrophobicContact CD2-CG 4.28Å; L93-M125 HydrophobicContact CD2-SD 3.99Å; L93-V127 HydrophobicContact CB-CG2 4.15Å; L93-V127 HydrophobicContact CD1-CG2 4.43Å; L93-V127 HydrophobicContact CD2-CG2 4.05Å; L93-V127 HydrophobicContact CG-CG2 4.45Å; L93-F170 HydrophobicContact CD1-CD1 4.02Å; L93-F170 HydrophobicContact CD1-CD2 4.31Å; L93-F170 HydrophobicContact CD1-CE1 3.62Å; L93-F170 HydrophobicContact CD1-CE2 3.94Å; L93-F170 HydrophobicContact CD1-CG 4.35Å; L93-F170 HydrophobicContact CD1-CZ 3.58Å; L93-I173 HydrophobicContact CD2-CB 4.36Å; L93-I173 HydrophobicContact CD2-CD1 3.77Å; L93-I173 HydrophobicContact CD2-CG2 4.15Å
94	L	98.3	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.1	173.2	176.2	61.4	0	0	0	108.1	T22 L107 W110 L111 I124 M125 L126 V127 W147 L153	T22-L94 HydrophobicContact CG2-CB 4.48Å; T22-L94 HydrophobicContact CG2-CD1 3.84Å; L94-L107 HydrophobicContact CD1-CD2 3.84Å; L94-L107 HydrophobicContact CD2-CD2 3.8Å; L94-L107 HydrophobicContact CG-CD2 3.54Å; L94-W110 HydrophobicContact CD1-CB 3.49Å; L94-W110 VanDerWaalsContact CD1-CB 3.49Å; L94-W110 HydrophobicContact CD1-CG 4.34Å; L94-L111 HydrophobicContact CD2-CB 4.11Å; L94-L111 HydrophobicContact CD2-CD1 4.46Å; L94-I124 HydrophobicContact CB-CG2 4.23Å; L94-M125 PolarHBondContact N-O 2.84Å; L94-L126 HydrophobicContact CD2-CD1 4.34Å; L94-L126 HydrophobicContact CG-CD1 4.24Å; L94-L126 CarbonylContact O-C 3.54Å; L94-L126 WeakPolarHBondContact O-CA 3.45Å; L94-V127 PolarHBondContact O-N 3.22Å; L94-W147 HydrophobicContact CD2-CH2 4.04Å; L94-W147 HydrophobicContact CD2-CZ3 4.18Å; L94-L153 HydrophobicContact CD2-CD1 4.36Å
95	V	98.6	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.1	-165.5	-168.5	0	0	0	0	111.2	T22 V27 K29 L32 L93 V127 N129	T22-V95 PolarHBondContact O-N 3.42Å; V27-V95 HydrophobicContact CB-CG1 4.25Å; V27-V95 HydrophobicContact CG2-CB 3.89Å; V27-V95 HydrophobicContact CG2-CG1 3.78Å; K29-V95 HydrophobicContact CG-CB 4.1Å; K29-V95 HydrophobicContact CG-CG2 4.14Å; L32-V95 HydrophobicContact CD1-CG1 3.85Å; L32-V95 HydrophobicContact CD1-CG2 4.11Å; L93-V95 HydrophobicContact CB-CG2 4.18Å; V95-V127 WeakPolarHBondContact CA-O 3.36Å; V95-V127 HydrophobicContact CG1-CG1 4.5Å; V95-V127 HydrophobicContact CG2-CB 4.31Å; V95-N129 HydrophobicContact CG1-CB 3.84Å
96	Y	98.6	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.3	167.1	76.3	-78	0	0	0	111.3	I98 F104 L107 L126 V127 G128 N129 I139 A144 F155	Y96-I98 HydrophobicContact CE2-CB 4.43Å; Y96-I98 HydrophobicContact CE2-CG2 3.9Å; Y96-F104 HydrophobicContact CD1-CD2 4.3Å; Y96-F104 HydrophobicContact CD2-CB 3.99Å; Y96-F104 AromaticContact CD2-CD2 3.85Å; Y96-F104 HydrophobicContact CD2-CD2 3.85Å; Y96-F104 HydrophobicContact CD2-CG 4.43Å; Y96-F104 HydrophobicContact CE1-CD2 4.21Å; Y96-F104 HydrophobicContact CE2-CB 4.49Å; Y96-F104 AromaticContact CE2-CD2 3.76Å; Y96-F104 HydrophobicContact CE2-CD2 3.76Å; Y96-F104 HydrophobicContact CG-CB 4.47Å; Y96-F104 HydrophobicContact CG-CD2 4.13Å; Y96-F104 AromaticContact CZ-CD2 3.97Å; Y96-L107 HydrophobicContact CD1-CD1 4.14Å; Y96-L107 HydrophobicContact CG-CD1 4.33Å; Y96-L126 HydrophobicContact CD1-CD1 3.75Å; Y96-L126 HydrophobicContact CD1-CG 4.19Å; Y96-L126 HydrophobicContact CE1-CD1 4.06Å; Y96-L126 HydrophobicContact CE1-CD2 4.09Å; Y96-L126 HydrophobicContact CE1-CG 3.99Å; Y96-V127 WeakPolarHBondContact CD1-O 3.28Å; Y96-V127 PolarHBondContact N-O 3Å; Y96-G128 VanDerWaalsContact CZ-CA 3.48Å; Y96-N129 PolarHBondContact O-N 2.56Å; Y96-I139 HydrophobicContact CE2-CB 4.17Å; Y96-I139 HydrophobicContact CE2-CG1 4.11Å; Y96-I139 HydrophobicContact CE2-CG2 4.31Å; Y96-A144 HydrophobicContact CE1-CB 4.26Å; Y96-A144 WeakPolarHBondContact OH-CB 3.42Å; Y96-F155 HydrophobicContact CE1-CE2 4.43Å
97	D	98.4	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.4	175.7	-178.8	-18.9	0	0	0	109.2	V27 T99 K100 T103 K130	V27-D97 HydrophobicContact CB-CB 4.32Å; V27-D97 HydrophobicContact CG1-CB 4.21Å; D97-T99 VanDerWaalsContact CG-OG1 3.27Å; D97-T99 PolarHBondContact O-N 3.13Å; D97-T99 WeakPolarHBondContact OD1-CB 3.25Å; D97-T99 PolarHBondContact OD1-N 2.87Å; D97-T99 PolarHBondContact OD1-OG1 3.35Å; D97-T99 PolarHBondContact OD2-OG1 2.81Å; D97-K100 HydrophobicContact CB-CB 4.17Å; D97-K100 HydrophobicContact CB-CD 4.43Å; D97-K100 HydrophobicContact CB-CG 4.35Å; D97-K100 PolarHBondContact O-N 2.83Å; D97-T103 HydrophobicContact CB-CG2 4.36Å; D97-T103 PolarHBondContact N-OG1 2.85Å; D97-T103 PolarHBondContact O-OG1 2.82Å; D97-K130 WeakPolarHBondContact OD2-CD 3.5Å; D97-K130 VanDerWaalsContact OD2-CE 3.28Å; D97-K130 WeakPolarHBondContact OD2-CE 3.39Å; D97-K130 IonicContact OD2-NZ 3.6Å; D97-K130 PolarHBondContact OD2-NZ 3.44Å
98	I	98.6	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.2	-177.4	67.4	150	0	0	0	113.5	Y96 N129 K130 C131 R137 T138 I139	Y96-I98 HydrophobicContact CE2-CB 4.43Å; Y96-I98 HydrophobicContact CE2-CG2 3.9Å; I98-N129 WeakPolarHBondContact CG1-O 3.39Å; I98-N129 WeakPolarHBondContact CG2-O 3.42Å; I98-N129 PolarHBondContact N-O 3.02Å; I98-K130 WeakPolarHBondContact CD1-O 3.48Å; I98-K130 WeakPolarHBondContact CG1-O 3.13Å; I98-C131 HydrophobicContact CD1-CB 4.4Å; I98-R137 HydrophobicContact CD1-CB 4.26Å; I98-R137 HydrophobicContact CD1-CG 4.41Å; I98-T138 PolarHBondContact O-N 2.9Å; I98-T138 PolarHBondContact O-OG1 2.75Å; I98-I139 PolarHBondContact O-N 3.44Å
99	T	98.2	Very high	97.5	Very high	25 Å²	25	35.8 Å²	35.8	15%	0.153	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-12.5	179	72.1	0	0	0	0	112.3	D97 L133 L136 T138	D97-T99 VanDerWaalsContact CG-OG1 3.27Å; D97-T99 PolarHBondContact O-N 3.13Å; D97-T99 WeakPolarHBondContact OD1-CB 3.25Å; D97-T99 PolarHBondContact OD1-N 2.87Å; D97-T99 PolarHBondContact OD1-OG1 3.35Å; D97-T99 PolarHBondContact OD2-OG1 2.81Å; T99-L133 HydrophobicContact CG2-CB 3.57Å; T99-L133 HydrophobicContact CG2-CD1 3.93Å; T99-L133 HydrophobicContact CG2-CG 4.41Å; T99-L136 WeakPolarHBondContact CA-O 3.25Å; T99-L136 HydrophobicContact CG2-CB 3.75Å; T99-T138 VanDerWaalsContact O-CG2 3.27Å; T99-T138 WeakPolarHBondContact O-CG2 3.36Å; T99-T138 PolarHBondContact O-OG1 3.31Å; T99-T138 VanDerWaalsContact O-OG1 3.06Å
100	K	97.7	Very high	97.5	Very high	100 Å²	100	35.9 Å²	35.9	44%	0.435	17%	0.17	S	C	.	.			trans	-124.2	98.8	-175.1	-61	-177.1	-177.7	-175.5	0	112.1	D97 E102 T103 T138	D97-K100 HydrophobicContact CB-CB 4.17Å; D97-K100 HydrophobicContact CB-CD 4.43Å; D97-K100 HydrophobicContact CB-CG 4.35Å; D97-K100 PolarHBondContact O-N 2.83Å; K100-E102 PolarHBondContact O-N 2.95Å; K100-E102 VanDerWaalsContact O-N 3.13Å; K100-T103 HydrophobicContact CB-CG2 3.8Å; K100-T103 HydrophobicContact CD-CG2 4.26Å; K100-T103 PolarHBondContact O-N 2.91Å; K100-T103 PolarHBondContact O-OG1 2.81Å; K100-T138 PolarHBondContact N-OG1 2.88Å
101	R	97.8	Very high	97.5	Very high	104 Å²	104	34.8 Å²	34.8	39%	0.392	16%	0.164	S	C	.	.	H	α-helix	trans	-49.2	-39.3	176.9	179.4	90	-110	-165.3	9.4	114.1	T103 F104 N105 T138 I139	R101-T103 VanDerWaalsContact C-N 3.3Å; R101-T103 PolarHBondContact O-N 2.94Å; R101-F104 WeakPolarHBondContact O-CB 3.38Å; R101-F104 PolarHBondContact O-N 3.42Å; R101-F104 VanDerWaalsContact O-N 3.12Å; R101-N105 PolarHBondContact NE-OD1 3.03Å; R101-N105 PolarHBondContact O-N 3.3Å; R101-N105 PolarHBondContact O-OD1 3.01Å; R101-T138 PolarHBondContact N-OG1 2.82Å; R101-T138 VanDerWaalsContact N-OG1 3.11Å; R101-I139 HydrophobicContact CB-CD1 3.82Å; R101-I139 HydrophobicContact CG-CD1 4.03Å
102	E	97.5	Very high	97.3	Very high	140 Å²	140	41 Å²	41	65%	0.654	20%	0.196	S	C	*	.	H	α-helix	trans	-57.6	-42.4	179.1	-172.9	177.2	-173.3	0	0	112.3	K100 F104 N105 N106	K100-E102 PolarHBondContact O-N 2.95Å; K100-E102 VanDerWaalsContact O-N 3.13Å; E102-F104 PolarHBondContact O-N 3.14Å; E102-N105 PolarHBondContact O-N 3Å; E102-N106 PolarHBondContact O-N 3.22Å; E102-N106 PolarHBondContact O-ND2 2.7Å
103	T	97.5	Very high	97	Very high	10 Å²	10	42.1 Å²	42.1	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-26.7	179.7	70.7	0	0	0	0	112.9	D24 V27 D97 K100 R101	D24-T103 HydrophobicContact CB-CG2 4Å; D24-T103 WeakPolarHBondContact OD2-CA 3.45Å; V27-T103 HydrophobicContact CG1-CG2 3.75Å; D97-T103 HydrophobicContact CB-CG2 4.36Å; D97-T103 PolarHBondContact N-OG1 2.85Å; D97-T103 PolarHBondContact O-OG1 2.82Å; K100-T103 HydrophobicContact CB-CG2 3.8Å; K100-T103 HydrophobicContact CD-CG2 4.26Å; K100-T103 PolarHBondContact O-N 2.91Å; K100-T103 PolarHBondContact O-OG1 2.81Å; R101-T103 VanDerWaalsContact C-N 3.3Å; R101-T103 PolarHBondContact O-N 2.94Å
104	F	98.7	Very high	96.8	Very high	13 Å²	13	42 Å²	42	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-77	-41.5	171.5	-175.5	-86	0	0	0	111.7	Y96 R101 E102 N106 L107 I139 A144 W147	Y96-F104 HydrophobicContact CD1-CD2 4.3Å; Y96-F104 HydrophobicContact CD2-CB 3.99Å; Y96-F104 AromaticContact CD2-CD2 3.85Å; Y96-F104 HydrophobicContact CD2-CD2 3.85Å; Y96-F104 HydrophobicContact CD2-CG 4.43Å; Y96-F104 HydrophobicContact CE1-CD2 4.21Å; Y96-F104 HydrophobicContact CE2-CB 4.49Å; Y96-F104 AromaticContact CE2-CD2 3.76Å; Y96-F104 HydrophobicContact CE2-CD2 3.76Å; Y96-F104 HydrophobicContact CG-CB 4.47Å; Y96-F104 HydrophobicContact CG-CD2 4.13Å; Y96-F104 AromaticContact CZ-CD2 3.97Å; R101-F104 WeakPolarHBondContact O-CB 3.38Å; R101-F104 PolarHBondContact O-N 3.42Å; R101-F104 VanDerWaalsContact O-N 3.12Å; E102-F104 PolarHBondContact O-N 3.14Å; F104-N106 PolarHBondContact O-N 3.33Å; F104-L107 HydrophobicContact CB-CD1 4.37Å; F104-L107 HydrophobicContact CD1-CD1 4.49Å; F104-L107 HydrophobicContact CD2-CD1 3.42Å; F104-L107 VanDerWaalsContact CD2-CD1 3.42Å; F104-L107 HydrophobicContact CE2-CD1 3.7Å; F104-L107 HydrophobicContact CG-CD1 3.88Å; F104-L107 HydrophobicContact CZ-CD1 4.39Å; F104-L107 VanDerWaalsContact O-CB 3.24Å; F104-L107 WeakPolarHBondContact O-CB 3.41Å; F104-L107 WeakPolarHBondContact O-CD1 3.19Å; F104-L107 WeakPolarHBondContact O-CG 3.37Å; F104-L107 PolarHBondContact O-N 2.86Å; F104-L107 VanDerWaalsContact O-N 3.14Å; F104-I139 HydrophobicContact CB-CD1 4.13Å; F104-I139 HydrophobicContact CB-CG1 4.02Å; F104-I139 HydrophobicContact CD2-CG1 4.5Å; F104-I139 HydrophobicContact CD2-CG2 3.83Å; F104-I139 HydrophobicContact CE2-CG2 4Å; F104-I139 HydrophobicContact CG-CD1 4.44Å; F104-I139 HydrophobicContact CG-CG1 4.3Å; F104-I139 HydrophobicContact CG-CG2 4.13Å; F104-I139 HydrophobicContact CZ-CG2 4.42Å; F104-A144 HydrophobicContact CE2-CB 3.72Å; F104-A144 HydrophobicContact CZ-CB 4.49Å; F104-W147 HydrophobicContact CE1-CG 4.42Å; F104-W147 HydrophobicContact CE2-CB 4.41Å; F104-W147 HydrophobicContact CZ-CB 3.72Å; F104-W147 AromaticContact CZ-CG 3.83Å; F104-W147 HydrophobicContact CZ-CG 3.83Å
105	N	97.9	Very high	96.6	Very high	96 Å²	96	48 Å²	48	51%	0.513	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-30.9	179.4	-64.9	-8.2	0	0	0	111.9	R101 E102 L107	R101-N105 PolarHBondContact NE-OD1 3.03Å; R101-N105 PolarHBondContact O-N 3.3Å; R101-N105 PolarHBondContact O-OD1 3.01Å; E102-N105 PolarHBondContact O-N 3Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 3.31Å
106	N	96.5	Very high	96.3	Very high	53 Å²	53	50.8 Å²	50.8	28%	0.283	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-6.7	178.1	-67.7	-21	0	0	0	114	D24 E102 F104 E108 H109 W110	D24-N106 PolarHBondContact OD2-ND2 3.11Å; E102-N106 PolarHBondContact O-N 3.22Å; E102-N106 PolarHBondContact O-ND2 2.7Å; F104-N106 PolarHBondContact O-N 3.33Å; N106-E108 VanDerWaalsContact C-N 3.29Å; N106-E108 PolarHBondContact O-N 3.09Å; N106-H109 WeakPolarHBondContact O-CB 3.24Å; N106-H109 PolarHBondContact O-N 3.34Å; N106-H109 VanDerWaalsContact O-N 3.16Å; N106-W110 VanDerWaalsContact O-CD1 3.25Å; N106-W110 PolarHBondContact O-N 3.39Å
107	L	97.9	Very high	96	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-37.7	-178.2	-73.3	171.1	0	0	0	113.3	L94 Y96 F104 N105 H109 W110 L111 L126 W147	L94-L107 HydrophobicContact CD1-CD2 3.84Å; L94-L107 HydrophobicContact CD2-CD2 3.8Å; L94-L107 HydrophobicContact CG-CD2 3.54Å; Y96-L107 HydrophobicContact CD1-CD1 4.14Å; Y96-L107 HydrophobicContact CG-CD1 4.33Å; F104-L107 HydrophobicContact CB-CD1 4.37Å; F104-L107 HydrophobicContact CD1-CD1 4.49Å; F104-L107 HydrophobicContact CD2-CD1 3.42Å; F104-L107 VanDerWaalsContact CD2-CD1 3.42Å; F104-L107 HydrophobicContact CE2-CD1 3.7Å; F104-L107 HydrophobicContact CG-CD1 3.88Å; F104-L107 HydrophobicContact CZ-CD1 4.39Å; F104-L107 VanDerWaalsContact O-CB 3.24Å; F104-L107 WeakPolarHBondContact O-CB 3.41Å; F104-L107 WeakPolarHBondContact O-CD1 3.19Å; F104-L107 WeakPolarHBondContact O-CG 3.37Å; F104-L107 PolarHBondContact O-N 2.86Å; F104-L107 VanDerWaalsContact O-N 3.14Å; N105-L107 VanDerWaalsContact C-N 3.28Å; N105-L107 PolarHBondContact O-N 3.31Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 2.92Å; L107-W110 PolarHBondContact O-N 3.46Å; L107-L111 VanDerWaalsContact O-CB 3.31Å; L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 PolarHBondContact O-N 2.86Å; L107-L126 HydrophobicContact CD1-CD1 3.6Å; L107-L126 HydrophobicContact CD1-CD2 4.48Å; L107-L126 HydrophobicContact CD2-CD1 3.62Å; L107-L126 HydrophobicContact CG-CD1 4.27Å; L107-W147 HydrophobicContact CB-CH2 3.67Å; L107-W147 HydrophobicContact CB-CZ2 3.66Å; L107-W147 HydrophobicContact CB-CZ3 4.29Å; L107-W147 HydrophobicContact CD1-CE3 4.37Å; L107-W147 HydrophobicContact CD1-CH2 4.49Å; L107-W147 HydrophobicContact CD1-CZ3 4.32Å
108	E	96.7	Very high	95.7	Very high	101 Å²	101	55.5 Å²	55.5	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-56.9	-44.1	178.6	-165	68.4	-144.9	0	0	111	N106 L112 H151	N106-E108 VanDerWaalsContact C-N 3.29Å; N106-E108 PolarHBondContact O-N 3.09Å; E108-L112 WeakPolarHBondContact O-CB 3.41Å; E108-L112 PolarHBondContact O-N 3.37Å; E108-H151 IonicContact OE1-NE2 2.67Å; E108-H151 IonicContact OE2-CE1 3.95Å; E108-H151 IonicContact OE2-NE2 3.62Å; E108-H151 PolarHBondContact OE2-NE2 2.92Å
109	H	93.5	Very high	95.3	Very high	83 Å²	83	59.2 Å²	59.2	38%	0.384	29%	0.293	S	S	.	.	H	α-helix	trans	-66	-48.7	178.6	-174.4	-29.5	0	0	0	111.2	R79 N106 L107 L111 L112 E113	R79-H109 VanDerWaalsContact CZ-CE1 3.46Å; R79-H109 PolarHBondContact NH1-CD2 3.37Å; R79-H109 PolarHBondContact NH1-CE1 3.13Å; R79-H109 PolarHBondContact NH1-NE2 2.78Å; R79-H109 PolarHBondContact NH2-CD2 3.01Å; R79-H109 PolarHBondContact NH2-NE2 3.22Å; N106-H109 WeakPolarHBondContact O-CB 3.24Å; N106-H109 PolarHBondContact O-N 3.34Å; N106-H109 VanDerWaalsContact O-N 3.16Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 2.92Å; H109-L111 VanDerWaalsContact C-N 3.28Å; H109-L111 PolarHBondContact O-N 3.22Å; H109-L112 PolarHBondContact O-N 3.12Å; H109-E113 IonicContact CE1-OE2 3.55Å; H109-E113 IonicContact ND1-OE2 3.53Å; H109-E113 WeakPolarHBondContact O-CB 3.48Å; H109-E113 PolarHBondContact O-N 3.28Å
110	W	94.4	Very high	94.9	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-62.2	-39.1	-179.4	-74.2	112	0	0	0	112	G23 D24 L94 N106 L107 E113 L114	G23-W110 VanDerWaalsContact C-CE2 3.48Å; D24-W110 PolarHBondContact OD1-NE1 3.42Å; L94-W110 HydrophobicContact CD1-CB 3.49Å; L94-W110 VanDerWaalsContact CD1-CB 3.49Å; L94-W110 HydrophobicContact CD1-CG 4.34Å; N106-W110 VanDerWaalsContact O-CD1 3.25Å; N106-W110 PolarHBondContact O-N 3.39Å; L107-W110 PolarHBondContact O-N 3.46Å; W110-E113 PolarHBondContact O-N 3.32Å; W110-L114 VanDerWaalsContact O-CB 3.29Å; W110-L114 WeakPolarHBondContact O-CB 3.42Å; W110-L114 PolarHBondContact O-N 2.9Å
111	L	96.2	Very high	94.6	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-44.4	176.4	-178.3	61.6	0	0	0	111.8	L94 L107 H109 L114 R115 I124 W147 H151 L153	L94-L111 HydrophobicContact CD2-CB 4.11Å; L94-L111 HydrophobicContact CD2-CD1 4.46Å; L107-L111 VanDerWaalsContact O-CB 3.31Å; L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 PolarHBondContact O-N 2.86Å; H109-L111 VanDerWaalsContact C-N 3.28Å; H109-L111 PolarHBondContact O-N 3.22Å; L111-L114 PolarHBondContact O-N 3.03Å; L111-R115 HydrophobicContact CD1-CG 4.24Å; L111-R115 WeakPolarHBondContact O-CB 3.22Å; L111-R115 WeakPolarHBondContact O-CG 3.3Å; L111-R115 PolarHBondContact O-N 3.26Å; L111-I124 HydrophobicContact CD1-CD1 3.73Å; L111-W147 HydrophobicContact CB-CH2 4.37Å; L111-W147 HydrophobicContact CD2-CH2 3.82Å; L111-W147 HydrophobicContact CD2-CZ2 4.4Å; L111-H151 HydrophobicContact CD2-CB 3.81Å; L111-H151 VanDerWaalsContact CD2-CD2 3.48Å; L111-H151 WeakPolarHBondContact CD2-CD2 3.46Å; L111-L153 HydrophobicContact CD1-CD1 4.29Å; L111-L153 HydrophobicContact CD1-CD2 4.1Å; L111-L153 HydrophobicContact CD2-CD1 4.33Å
112	L	94.3	Very high	94.5	Very high	130 Å²	130	61.5 Å²	61.5	68%	0.681	33%	0.325	S	S	*	.	H	α-helix	trans	-61.6	-45.2	176.9	-177.6	66.5	0	0	0	111.4	E108 H109 R115 G116	E108-L112 WeakPolarHBondContact O-CB 3.41Å; E108-L112 PolarHBondContact O-N 3.37Å; H109-L112 PolarHBondContact O-N 3.12Å; L112-R115 PolarHBondContact O-N 2.87Å; L112-G116 PolarHBondContact O-N 3.43Å
113	E	91.4	Very high	94.5	Very high	23 Å²	23	55.8 Å²	55.8	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-44.3	179.2	-165.7	-174.1	120.6	0	0	111.6	R79 Y86 H109 W110 G116 H117	R79-E113 VanDerWaalsContact CD-OE2 3.29Å; R79-E113 WeakPolarHBondContact CD-OE2 3.39Å; R79-E113 WeakPolarHBondContact CG-OE2 3.48Å; R79-E113 IonicContact NE-OE2 3.67Å; Y86-E113 HydrophobicContact CE2-CB 4.4Å; Y86-E113 HydrophobicContact CE2-CG 3.92Å; Y86-E113 WeakPolarHBondContact CE2-OE1 3.36Å; H109-E113 IonicContact CE1-OE2 3.55Å; H109-E113 IonicContact ND1-OE2 3.53Å; H109-E113 WeakPolarHBondContact O-CB 3.48Å; H109-E113 PolarHBondContact O-N 3.28Å; W110-E113 PolarHBondContact O-N 3.32Å; E113-G116 PolarHBondContact O-N 2.97Å; E113-H117 PolarHBondContact O-ND1 2.89Å
114	L	93.5	Very high	94.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-52.4	176.8	177.5	65.6	0	0	0	111.2	V20 T22 Y86 A92 W110 L111 G116 H117 A118 I122 I124	V20-L114 HydrophobicContact CG2-CD1 3.85Å; T22-L114 HydrophobicContact CG2-CD2 4.38Å; Y86-L114 HydrophobicContact CD1-CD1 3.83Å; Y86-L114 HydrophobicContact CD2-CD1 4.27Å; Y86-L114 HydrophobicContact CE1-CD1 4.19Å; Y86-L114 HydrophobicContact CG-CD1 3.88Å; A92-L114 HydrophobicContact CB-CD1 4.12Å; A92-L114 HydrophobicContact CB-CD2 3.42Å; A92-L114 VanDerWaalsContact CB-CD2 3.42Å; A92-L114 HydrophobicContact CB-CG 4.39Å; W110-L114 VanDerWaalsContact O-CB 3.29Å; W110-L114 WeakPolarHBondContact O-CB 3.42Å; W110-L114 PolarHBondContact O-N 2.9Å; L111-L114 PolarHBondContact O-N 3.03Å; L114-G116 PolarHBondContact O-N 2.97Å; L114-H117 PolarHBondContact O-N 3.33Å; L114-H117 VanDerWaalsContact O-N 3.15Å; L114-A118 HydrophobicContact CD1-CB 4.05Å; L114-A118 HydrophobicContact CG-CB 4.49Å; L114-A118 VanDerWaalsContact O-CB 3.25Å; L114-A118 WeakPolarHBondContact O-CB 3.42Å; L114-A118 PolarHBondContact O-N 3.2Å; L114-I122 HydrophobicContact CD1-CD1 3.94Å; L114-I122 HydrophobicContact CD2-CD1 4.37Å; L114-I122 HydrophobicContact CG-CD1 4.27Å; L114-I124 HydrophobicContact CD2-CD1 3.7Å; L114-I124 HydrophobicContact CD2-CG1 3.97Å; L114-I124 HydrophobicContact CD2-CG2 4.31Å; L114-I124 HydrophobicContact CG-CD1 4.46Å
115	R	94.9	Very high	94.6	Very high	125 Å²	125	55 Å²	55	47%	0.472	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-24.1	179.6	-75.5	-178.8	166.1	166.4	-1.3	113.4	L111 L112 H117 I124 H151	L111-R115 HydrophobicContact CD1-CG 4.24Å; L111-R115 WeakPolarHBondContact O-CB 3.22Å; L111-R115 WeakPolarHBondContact O-CG 3.3Å; L111-R115 PolarHBondContact O-N 3.26Å; L112-R115 PolarHBondContact O-N 2.87Å; R115-H117 VanDerWaalsContact C-N 3.32Å; R115-I124 HydrophobicContact CG-CD1 4.25Å; R115-H151 PolarHBondContact NH2-O 2.93Å
116	G	92.9	Very high	94.6	Very high	59 Å²	59	50.5 Å²	50.5	61%	0.608	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-16.2	175.7	0	0	0	0	0	114.9	L112 E113 L114	L112-G116 PolarHBondContact O-N 3.43Å; E113-G116 PolarHBondContact O-N 2.97Å; L114-G116 PolarHBondContact O-N 2.97Å
117	H	91.3	Very high	94.7	Very high	86 Å²	86	48 Å²	48	40%	0.398	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-19.8	-171.6	-61.4	89.7	0	0	0	115.1	Y86 R87 E113 L114 R115	Y86-H117 HydrophobicContact CD2-CB 4.12Å; R87-H117 WeakPolarHBondContact CA-O 3.44Å; E113-H117 PolarHBondContact O-ND1 2.89Å; L114-H117 PolarHBondContact O-N 3.33Å; L114-H117 VanDerWaalsContact O-N 3.15Å; R115-H117 VanDerWaalsContact C-N 3.32Å
118	A	92.7	Very high	94.8	Very high	13 Å²	13	48 Å²	48	11%	0.107	26%	0.258	C	S	.	.	S	Bend	trans	-83.4	176.7	176	0	0	0	0	0	112.4	Y86 L114 I122	Y86-A118 WeakPolarHBondContact O-CA 3.35Å; L114-A118 HydrophobicContact CD1-CB 4.05Å; L114-A118 HydrophobicContact CG-CB 4.49Å; L114-A118 VanDerWaalsContact O-CB 3.25Å; L114-A118 WeakPolarHBondContact O-CB 3.42Å; L114-A118 PolarHBondContact O-N 3.2Å; A118-I122 HydrophobicContact CB-CB 4.3Å; A118-I122 HydrophobicContact CB-CD1 3.56Å; A118-I122 HydrophobicContact CB-CG2 4.23Å
119	E	89.8	Confident	94.9	Very high	77 Å²	77	43.3 Å²	43.3	36%	0.36	24%	0.236	S	C	.	.			trans	-63.6	143.9	173.9	-61.7	-55.8	143.4	0	0	110.9	G88 D121 I122	G88-E119 WeakPolarHBondContact CA-OE1 3.5Å; G88-E119 PolarHBondContact N-OE1 2.93Å; E119-D121 WeakPolarHBondContact CB-OD1 3.37Å; E119-D121 PolarHBondContact O-N 3.44Å; E119-D121 VanDerWaalsContact O-N 3.15Å; E119-I122 WeakPolarHBondContact O-CB 3.3Å; E119-I122 VanDerWaalsContact O-CG2 3.23Å; E119-I122 WeakPolarHBondContact O-CG2 3.42Å; E119-I122 PolarHBondContact O-N 3.01Å; E119-I122 VanDerWaalsContact O-N 3.09Å
120	P	89.9	Confident	95.1	Very high	132 Å²	132	41.6 Å²	41.6	86%	0.857	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.4	-177.4	-25.7	34.8	0	0	0	114.6
121	D	91.4	Very high	95.3	Very high	125 Å²	125	41.9 Å²	41.9	67%	0.668	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	16.4	-178.6	66	-28.7	0	0	0	113.3	E119 V123	E119-D121 WeakPolarHBondContact CB-OD1 3.37Å; E119-D121 PolarHBondContact O-N 3.44Å; E119-D121 VanDerWaalsContact O-N 3.15Å; D121-V123 PolarHBondContact O-N 3.5Å
122	I	96.1	Very high	95.4	Very high	21 Å²	21	44 Å²	44	11%	0.108	24%	0.24	C	C	.	.			trans	-52.4	128.8	178.5	-175.8	164.9	0	0	0	112	A89 A92 L114 A118 E119 I124	A89-I122 HydrophobicContact CB-CD1 4.09Å; A92-I122 HydrophobicContact CB-CD1 3.89Å; L114-I122 HydrophobicContact CD1-CD1 3.94Å; L114-I122 HydrophobicContact CD2-CD1 4.37Å; L114-I122 HydrophobicContact CG-CD1 4.27Å; A118-I122 HydrophobicContact CB-CB 4.3Å; A118-I122 HydrophobicContact CB-CD1 3.56Å; A118-I122 HydrophobicContact CB-CG2 4.23Å; E119-I122 WeakPolarHBondContact O-CB 3.3Å; E119-I122 VanDerWaalsContact O-CG2 3.23Å; E119-I122 WeakPolarHBondContact O-CG2 3.42Å; E119-I122 PolarHBondContact O-N 3.01Å; E119-I122 VanDerWaalsContact O-N 3.09Å; I122-I124 HydrophobicContact CD1-CG1 4.49Å; I122-I124 HydrophobicContact CG1-CG1 4.03Å; I122-I124 HydrophobicContact CG2-CD1 3.83Å; I122-I124 HydrophobicContact CG2-CG1 3.92Å
123	V	97.6	Very high	95.5	Very high	19 Å²	19	40.2 Å²	40.2	12%	0.115	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.9	172	-179	0	0	0	0	108.7	V90 G91 A92 D121 F154 I173 T176 I177	V90-V123 PolarHBondContact O-N 3.34Å; G91-V123 CarbonylContact C-O 3.6Å; G91-V123 VanDerWaalsContact CA-O 3.23Å; G91-V123 WeakPolarHBondContact CA-O 3.4Å; A92-V123 PolarHBondContact N-O 2.96Å; D121-V123 PolarHBondContact O-N 3.5Å; V123-F154 HydrophobicContact CG1-CD2 4.09Å; V123-F154 HydrophobicContact CG1-CE2 3.84Å; V123-I173 HydrophobicContact CB-CG1 4.44Å; V123-I173 HydrophobicContact CG1-CG1 3.97Å; V123-T176 HydrophobicContact CG1-CG2 3.7Å; V123-T176 HydrophobicContact CG2-CG2 4.09Å; V123-I177 HydrophobicContact CB-CG1 3.81Å; V123-I177 HydrophobicContact CG1-CG1 4.47Å; V123-I177 HydrophobicContact CG2-CG1 3.72Å
124	I	98.3	Very high	95.7	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.3	-177.2	-53.6	170.3	0	0	0	110.1	A92 L94 L111 L114 R115 I122 L153 F154	A92-I124 HydrophobicContact CB-CG1 4.39Å; A92-I124 HydrophobicContact CB-CG2 4.49Å; A92-I124 WeakPolarHBondContact O-CA 3.49Å; L94-I124 HydrophobicContact CB-CG2 4.23Å; L111-I124 HydrophobicContact CD1-CD1 3.73Å; L114-I124 HydrophobicContact CD2-CD1 3.7Å; L114-I124 HydrophobicContact CD2-CG1 3.97Å; L114-I124 HydrophobicContact CD2-CG2 4.31Å; L114-I124 HydrophobicContact CG-CD1 4.46Å; R115-I124 HydrophobicContact CG-CD1 4.25Å; I122-I124 HydrophobicContact CD1-CG1 4.49Å; I122-I124 HydrophobicContact CG1-CG1 4.03Å; I122-I124 HydrophobicContact CG2-CD1 3.83Å; I122-I124 HydrophobicContact CG2-CG1 3.92Å; I124-L153 HydrophobicContact CB-CD2 3.61Å; I124-L153 HydrophobicContact CD1-CD2 4.16Å; I124-L153 HydrophobicContact CG1-CD2 4.44Å; I124-L153 HydrophobicContact CG2-CD1 4.17Å; I124-L153 HydrophobicContact CG2-CD2 3.77Å; I124-L153 HydrophobicContact CG2-CG 4.41Å; I124-L153 WeakPolarHBondContact O-CA 3.47Å; I124-F154 PolarHBondContact O-N 3.26Å; I124-F154 VanDerWaalsContact O-N 3.09Å
125	M	98.7	Very high	95.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.4	172.2	-179.5	-179.5	-68.7	0	0	110.6	A92 L93 L94 V127 F154 M156 A169 S172 I173	A92-M125 PolarHBondContact O-N 2.9Å; L93-M125 WeakPolarHBondContact CA-O 3.48Å; L93-M125 HydrophobicContact CD2-CB 3.81Å; L93-M125 HydrophobicContact CD2-CG 4.28Å; L93-M125 HydrophobicContact CD2-SD 3.99Å; L94-M125 PolarHBondContact N-O 2.84Å; M125-V127 HydrophobicContact CG-CG2 4.03Å; M125-V127 HydrophobicContact SD-CG2 4.18Å; M125-F154 CarbonylContact C-O 3.19Å; M125-F154 WeakPolarHBondContact CA-O 3.37Å; M125-F154 HydrophobicContact CB-CB 4.04Å; M125-F154 HydrophobicContact CE-CB 3.87Å; M125-F154 HydrophobicContact CG-CB 3.93Å; M125-M156 HydrophobicContact CE-CE 3.33Å; M125-M156 HydrophobicContact SD-CB 4.38Å; M125-M156 HydrophobicContact SD-CE 3.62Å; M125-A169 HydrophobicContact SD-CB 3.97Å; M125-S172 WeakPolarHBondContact CE-OG 3.46Å; M125-I173 HydrophobicContact CB-CD1 4.32Å; M125-I173 HydrophobicContact CE-CB 4.37Å
126	L	98.8	Very high	96	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	128.5	165.9	-178.7	69.2	0	0	0	109.6	L94 Y96 L107 A144 W147 A148 L153 F154 F155 M156	L94-L126 HydrophobicContact CD2-CD1 4.34Å; L94-L126 HydrophobicContact CG-CD1 4.24Å; L94-L126 CarbonylContact O-C 3.54Å; L94-L126 WeakPolarHBondContact O-CA 3.45Å; Y96-L126 HydrophobicContact CD1-CD1 3.75Å; Y96-L126 HydrophobicContact CD1-CG 4.19Å; Y96-L126 HydrophobicContact CE1-CD1 4.06Å; Y96-L126 HydrophobicContact CE1-CD2 4.09Å; Y96-L126 HydrophobicContact CE1-CG 3.99Å; L107-L126 HydrophobicContact CD1-CD1 3.6Å; L107-L126 HydrophobicContact CD1-CD2 4.48Å; L107-L126 HydrophobicContact CD2-CD1 3.62Å; L107-L126 HydrophobicContact CG-CD1 4.27Å; L126-A144 HydrophobicContact CD2-CB 4.32Å; L126-A144 WeakPolarHBondContact CD2-O 3.46Å; L126-W147 HydrophobicContact CD1-CE3 4.48Å; L126-W147 HydrophobicContact CD1-CZ3 4.19Å; L126-W147 HydrophobicContact CD2-CE3 3.85Å; L126-W147 HydrophobicContact CD2-CZ3 4.31Å; L126-A148 HydrophobicContact CB-CB 4.07Å; L126-A148 HydrophobicContact CD2-CB 3.99Å; L126-L153 HydrophobicContact CB-CD1 4.48Å; L126-F154 PolarHBondContact N-O 2.98Å; L126-F155 HydrophobicContact CB-CD2 4.16Å; L126-F155 HydrophobicContact CD2-CD2 3.81Å; L126-F155 HydrophobicContact CD2-CE2 4.17Å; L126-F155 HydrophobicContact CG-CD2 4.01Å; L126-F155 HydrophobicContact CG-CE2 4.46Å; L126-F155 WeakPolarHBondContact O-CA 3.27Å; L126-M156 PolarHBondContact O-N 2.98Å
127	V	98.9	Very high	96.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	111.8	179.3	179.7	0	0	0	0	110.4	L32 L93 L94 V95 Y96 M125 N129 M156 T158	L32-V127 HydrophobicContact CD1-CG1 4.27Å; L93-V127 HydrophobicContact CB-CG2 4.15Å; L93-V127 HydrophobicContact CD1-CG2 4.43Å; L93-V127 HydrophobicContact CD2-CG2 4.05Å; L93-V127 HydrophobicContact CG-CG2 4.45Å; L94-V127 PolarHBondContact O-N 3.22Å; V95-V127 WeakPolarHBondContact CA-O 3.36Å; V95-V127 HydrophobicContact CG1-CG1 4.5Å; V95-V127 HydrophobicContact CG2-CB 4.31Å; Y96-V127 WeakPolarHBondContact CD1-O 3.28Å; Y96-V127 PolarHBondContact N-O 3Å; M125-V127 HydrophobicContact CG-CG2 4.03Å; M125-V127 HydrophobicContact SD-CG2 4.18Å; V127-N129 PolarHBondContact O-N 3.06Å; V127-M156 VanDerWaalsContact CA-O 3.31Å; V127-M156 WeakPolarHBondContact CA-O 3.17Å; V127-T158 HydrophobicContact CG1-CG2 3.66Å; V127-T158 VanDerWaalsContact CG1-OG1 3.26Å; V127-T158 WeakPolarHBondContact CG1-OG1 3.43Å
128	G	98.8	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	97.1	169.3	0	0	0	0	0	110.8	Y96 M156 E157 T158	Y96-G128 VanDerWaalsContact CZ-CA 3.48Å; G128-M156 PolarHBondContact N-O 3.2Å; G128-E157 CarbonylContact O-C 3.39Å; G128-E157 WeakPolarHBondContact O-CA 3.27Å; G128-E157 WeakPolarHBondContact O-CB 3.46Å; G128-T158 PolarHBondContact O-N 3.11Å
129	N	98.8	Very high	96.8	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	161.9	-176.5	-167.9	37.2	0	0	0	112.7	V27 L32 V95 Y96 I98 V127 T158 A160	V27-N129 PolarHBondContact O-ND2 3.43Å; L32-N129 HydrophobicContact CD1-CB 4.36Å; V95-N129 HydrophobicContact CG1-CB 3.84Å; Y96-N129 PolarHBondContact O-N 2.56Å; I98-N129 WeakPolarHBondContact CG1-O 3.39Å; I98-N129 WeakPolarHBondContact CG2-O 3.42Å; I98-N129 PolarHBondContact N-O 3.02Å; V127-N129 PolarHBondContact O-N 3.06Å; N129-T158 CarbonylContact C-O 3.59Å; N129-T158 WeakPolarHBondContact CA-O 3.5Å; N129-T158 PolarHBondContact OD1-O 3.4Å; N129-T158 PolarHBondContact OD1-OG1 2.94Å; N129-A160 PolarHBondContact OD1-N 3.4Å
130	K	98	Very high	97.2	Very high	47 Å²	47	53.4 Å²	53.4	20%	0.204	27%	0.27	C	S	.	.			trans	70.7	36.5	-177.7	-46	-172.5	-167.4	170.5	0	113.6	G26 D97 I98 D132 L133 T158	G26-K130 PolarHBondContact O-NZ 3.23Å; D97-K130 WeakPolarHBondContact OD2-CD 3.5Å; D97-K130 VanDerWaalsContact OD2-CE 3.28Å; D97-K130 WeakPolarHBondContact OD2-CE 3.39Å; D97-K130 IonicContact OD2-NZ 3.6Å; D97-K130 PolarHBondContact OD2-NZ 3.44Å; I98-K130 WeakPolarHBondContact CD1-O 3.48Å; I98-K130 WeakPolarHBondContact CG1-O 3.13Å; K130-D132 VanDerWaalsContact C-OD1 3.27Å; K130-D132 VanDerWaalsContact CA-OD1 3.31Å; K130-D132 WeakPolarHBondContact CA-OD1 3.4Å; K130-D132 PolarHBondContact O-N 2.82Å; K130-D132 VanDerWaalsContact O-N 3.11Å; K130-L133 HydrophobicContact CB-CD1 4.18Å; K130-L133 HydrophobicContact CB-CG 4.45Å; K130-L133 HydrophobicContact CD-CD1 4.27Å; K130-L133 WeakPolarHBondContact O-CB 3.43Å; K130-L133 PolarHBondContact O-N 2.97Å; K130-T158 PolarHBondContact N-O 2.74Å
131	C	98.2	Very high	97.5	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.054	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.4	178.9	76	0	0	0	0	114.5	I98 L133 R134 E157 T158	I98-C131 HydrophobicContact CD1-CB 4.4Å; C131-L133 VanDerWaalsContact C-N 3.34Å; C131-R134 WeakPolarHBondContact O-CG 3.33Å; C131-R134 PolarHBondContact O-NE 3.41Å; C131-E157 HydrophobicContact CB-CB 4.04Å; C131-T158 PolarHBondContact N-O 2.86Å; C131-T158 PolarHBondContact SG-O 3.23Å; C131-T158 VanDerWaalsContact SG-O 3.34Å
132	D	98.1	Very high	97.9	Very high	46 Å²	46	48.9 Å²	48.9	25%	0.246	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-31	164.7	53.7	-71.4	0	0	0	112.2	K130 R134 S159 E162	K130-D132 VanDerWaalsContact C-OD1 3.27Å; K130-D132 VanDerWaalsContact CA-OD1 3.31Å; K130-D132 WeakPolarHBondContact CA-OD1 3.4Å; K130-D132 PolarHBondContact O-N 2.82Å; K130-D132 VanDerWaalsContact O-N 3.11Å; D132-R134 PolarHBondContact O-N 2.84Å; D132-S159 WeakPolarHBondContact OD1-CB 3.06Å; D132-S159 PolarHBondContact OD1-OG 2.62Å; D132-E162 HydrophobicContact CB-CG 3.73Å
133	L	97.2	Very high	98	Very high	52 Å²	52	51.2 Å²	51.2	27%	0.272	25%	0.249	S	C	.	.			trans	-85.4	42.1	179.6	-58.6	179.2	0	0	0	112.8	T99 K130 C131 H135 L136 R137	T99-L133 HydrophobicContact CG2-CB 3.57Å; T99-L133 HydrophobicContact CG2-CD1 3.93Å; T99-L133 HydrophobicContact CG2-CG 4.41Å; K130-L133 HydrophobicContact CB-CD1 4.18Å; K130-L133 HydrophobicContact CB-CG 4.45Å; K130-L133 HydrophobicContact CD-CD1 4.27Å; K130-L133 WeakPolarHBondContact O-CB 3.43Å; K130-L133 PolarHBondContact O-N 2.97Å; C131-L133 VanDerWaalsContact C-N 3.34Å; L133-H135 PolarHBondContact O-N 3.14Å; L133-H135 VanDerWaalsContact O-N 3.09Å; L133-L136 HydrophobicContact CB-CB 4.49Å; L133-L136 HydrophobicContact CB-CD1 4.49Å; L133-L136 PolarHBondContact O-N 3.45Å; L133-R137 PolarHBondContact O-N 3.1Å
134	R	95.9	Very high	98	Very high	180 Å²	180	50.3 Å²	50.3	68%	0.679	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-54.3	-35.3	-174.6	-57.6	-175.5	-176.1	163.7	-0.6	113.7	C131 D132 L136 R137	C131-R134 WeakPolarHBondContact O-CG 3.33Å; C131-R134 PolarHBondContact O-NE 3.41Å; D132-R134 PolarHBondContact O-N 2.84Å; R134-L136 PolarHBondContact O-N 3.09Å; R134-R137 WeakPolarHBondContact O-CB 3.26Å; R134-R137 PolarHBondContact O-N 2.88Å; R134-R137 VanDerWaalsContact O-N 3.17Å
135	H	97.2	Very high	98	Very high	151 Å²	151	54.1 Å²	54.1	70%	0.699	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.2	-17.7	179.4	67.2	-79.6	0	0	0	113.6	L133	L133-H135 PolarHBondContact O-N 3.14Å; L133-H135 VanDerWaalsContact O-N 3.09Å
136	L	97.9	Very high	98	Very high	88 Å²	88	58.4 Å²	58.4	46%	0.461	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-104.5	7.1	175.4	-56.6	178	0	0	0	112.4	T99 L133 R134 T138	T99-L136 WeakPolarHBondContact CA-O 3.25Å; T99-L136 HydrophobicContact CG2-CB 3.75Å; L133-L136 HydrophobicContact CB-CB 4.49Å; L133-L136 HydrophobicContact CB-CD1 4.49Å; L133-L136 PolarHBondContact O-N 3.45Å; R134-L136 PolarHBondContact O-N 3.09Å; L136-T138 PolarHBondContact O-N 3.08Å
137	R	98.4	Very high	98	Very high	59 Å²	59	59.2 Å²	59.2	22%	0.223	29%	0.286	C	S	.	.			trans	-58.2	126.9	-177.6	176.8	-179.6	-71.8	-85.2	6.3	110.5	I98 L133 R134 I139 T141 E157	I98-R137 HydrophobicContact CD1-CB 4.26Å; I98-R137 HydrophobicContact CD1-CG 4.41Å; L133-R137 PolarHBondContact O-N 3.1Å; R134-R137 WeakPolarHBondContact O-CB 3.26Å; R134-R137 PolarHBondContact O-N 2.88Å; R134-R137 VanDerWaalsContact O-N 3.17Å; R137-I139 WeakPolarHBondContact CD-O 3.31Å; R137-I139 WeakPolarHBondContact CG-O 3.41Å; R137-I139 PolarHBondContact NH1-O 3.27Å; R137-T141 PolarHBondContact NH1-OG1 3.45Å; R137-T141 PolarHBondContact NH2-OG1 3.09Å; R137-E157 IonicContact CZ-OE1 3.29Å; R137-E157 VanDerWaalsContact CZ-OE1 3.29Å; R137-E157 IonicContact CZ-OE2 3.72Å; R137-E157 IonicContact NH1-OE1 2.73Å; R137-E157 PolarHBondContact NH1-OE1 2.76Å; R137-E157 IonicContact NH1-OE2 3.9Å; R137-E157 IonicContact NH2-OE1 3.02Å; R137-E157 PolarHBondContact NH2-OE1 3.06Å; R137-E157 IonicContact NH2-OE2 2.7Å; R137-E157 PolarHBondContact NH2-OE2 2.97Å
138	T	97.8	Very high	98	Very high	72 Å²	72	59.2 Å²	59.2	44%	0.442	29%	0.286	S	S	.	.			trans	-108.4	-11.8	173.1	54.7	0	0	0	0	112.9	I98 T99 K100 R101 L136	I98-T138 PolarHBondContact O-N 2.9Å; I98-T138 PolarHBondContact O-OG1 2.75Å; T99-T138 VanDerWaalsContact O-CG2 3.27Å; T99-T138 WeakPolarHBondContact O-CG2 3.36Å; T99-T138 PolarHBondContact O-OG1 3.31Å; T99-T138 VanDerWaalsContact O-OG1 3.06Å; K100-T138 PolarHBondContact N-OG1 2.88Å; R101-T138 PolarHBondContact N-OG1 2.82Å; R101-T138 VanDerWaalsContact N-OG1 3.11Å; L136-T138 PolarHBondContact O-N 3.08Å
139	I	97.1	Very high	97.9	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-121.7	122.5	179.7	-42.5	-50.5	0	0	0	110.4	Y96 I98 R101 F104 R137 A144	Y96-I139 HydrophobicContact CE2-CB 4.17Å; Y96-I139 HydrophobicContact CE2-CG1 4.11Å; Y96-I139 HydrophobicContact CE2-CG2 4.31Å; I98-I139 PolarHBondContact O-N 3.44Å; R101-I139 HydrophobicContact CB-CD1 3.82Å; R101-I139 HydrophobicContact CG-CD1 4.03Å; F104-I139 HydrophobicContact CB-CD1 4.13Å; F104-I139 HydrophobicContact CB-CG1 4.02Å; F104-I139 HydrophobicContact CD2-CG1 4.5Å; F104-I139 HydrophobicContact CD2-CG2 3.83Å; F104-I139 HydrophobicContact CE2-CG2 4Å; F104-I139 HydrophobicContact CG-CD1 4.44Å; F104-I139 HydrophobicContact CG-CG1 4.3Å; F104-I139 HydrophobicContact CG-CG2 4.13Å; F104-I139 HydrophobicContact CZ-CG2 4.42Å; R137-I139 WeakPolarHBondContact CD-O 3.31Å; R137-I139 WeakPolarHBondContact CG-O 3.41Å; R137-I139 PolarHBondContact NH1-O 3.27Å; I139-A144 HydrophobicContact CG2-CB 4.37Å
140	L	97.3	Very high	97.9	Very high	109 Å²	109	73.1 Å²	73.1	57%	0.571	34%	0.343	S	S	*	.			trans	-66.9	140	174.2	-61.2	178.7	0	0	0	110.1	E142 D143 A144	L140-E142 PolarHBondContact O-N 3.28Å; L140-D143 HydrophobicContact CB-CB 4.38Å; L140-D143 PolarHBondContact O-N 3.22Å; L140-D143 VanDerWaalsContact O-N 3.13Å; L140-A144 PolarHBondContact O-N 3.24Å
141	T	98	Very high	97.9	Very high	46 Å²	46	72.7 Å²	72.7	28%	0.282	34%	0.341	S	S	.	.	H	α-helix	trans	-56.6	-38.6	177.9	-56.5	0	0	0	0	111.3	R137 A144 K145 F155 E157	R137-T141 PolarHBondContact NH1-OG1 3.45Å; R137-T141 PolarHBondContact NH2-OG1 3.09Å; T141-A144 PolarHBondContact O-N 2.78Å; T141-K145 WeakPolarHBondContact O-CB 3.38Å; T141-K145 PolarHBondContact O-N 2.91Å; T141-F155 HydrophobicContact CG2-CE1 3.68Å; T141-F155 HydrophobicContact CG2-CZ 3.98Å; T141-E157 WeakPolarHBondContact CB-OE1 3.14Å; T141-E157 HydrophobicContact CG2-CG 4.43Å; T141-E157 PolarHBondContact OG1-OE1 3.03Å
142	E	98.1	Very high	97.8	Very high	116 Å²	116	75.4 Å²	75.4	54%	0.542	37%	0.371	S	S	.	.	H	α-helix	trans	-66.1	-39	177.6	-60.5	-54.7	154.1	0	0	112.9	L140 A144 K145 L146	L140-E142 PolarHBondContact O-N 3.28Å; E142-A144 VanDerWaalsContact C-N 3.31Å; E142-A144 PolarHBondContact O-N 3.06Å; E142-K145 PolarHBondContact O-N 3.27Å; E142-L146 WeakPolarHBondContact O-CB 3.42Å; E142-L146 VanDerWaalsContact O-CG 3.29Å; E142-L146 WeakPolarHBondContact O-CG 3.09Å; E142-L146 PolarHBondContact O-N 2.94Å
143	D	97.9	Very high	97.9	Very high	70 Å²	70	73.9 Å²	73.9	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-41.2	176.9	-67.6	-22.8	0	0	0	111.2	L140 W147	L140-D143 HydrophobicContact CB-CB 4.38Å; L140-D143 PolarHBondContact O-N 3.22Å; L140-D143 VanDerWaalsContact O-N 3.13Å; D143-W147 WeakPolarHBondContact O-CB 3.34Å; D143-W147 PolarHBondContact O-N 2.99Å
144	A	98.5	Very high	97.9	Very high	0 Å²	0	76 Å²	76	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-69.4	-40	178	0	0	0	0	0	112.1	Y96 F104 L126 I139 L140 T141 E142 W147 A148 F155	Y96-A144 HydrophobicContact CE1-CB 4.26Å; Y96-A144 WeakPolarHBondContact OH-CB 3.42Å; F104-A144 HydrophobicContact CE2-CB 3.72Å; F104-A144 HydrophobicContact CZ-CB 4.49Å; L126-A144 HydrophobicContact CD2-CB 4.32Å; L126-A144 WeakPolarHBondContact CD2-O 3.46Å; I139-A144 HydrophobicContact CG2-CB 4.37Å; L140-A144 PolarHBondContact O-N 3.24Å; T141-A144 PolarHBondContact O-N 2.78Å; E142-A144 VanDerWaalsContact C-N 3.31Å; E142-A144 PolarHBondContact O-N 3.06Å; A144-W147 WeakPolarHBondContact O-CB 3.48Å; A144-W147 PolarHBondContact O-N 3.04Å; A144-A148 PolarHBondContact O-N 3.1Å; A144-F155 HydrophobicContact CB-CD2 4.48Å; A144-F155 HydrophobicContact CB-CE2 3.66Å; A144-F155 HydrophobicContact CB-CZ 3.87Å
145	K	98.5	Very high	98	Very high	87 Å²	87	69.5 Å²	69.5	38%	0.378	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-48	175	-172.5	-179.2	175	-170	0	111.7	T141 E142 W147 A148 E149 F155	T141-K145 WeakPolarHBondContact O-CB 3.38Å; T141-K145 PolarHBondContact O-N 2.91Å; E142-K145 PolarHBondContact O-N 3.27Å; K145-W147 VanDerWaalsContact C-N 3.26Å; K145-W147 PolarHBondContact O-N 2.98Å; K145-A148 WeakPolarHBondContact O-CB 3.5Å; K145-A148 PolarHBondContact O-N 3.46Å; K145-A148 VanDerWaalsContact O-N 3.12Å; K145-E149 VanDerWaalsContact CE-OE1 3.27Å; K145-E149 WeakPolarHBondContact CE-OE1 3.28Å; K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 3.22Å; K145-F155 HydrophobicContact CB-CD1 3.77Å; K145-F155 HydrophobicContact CB-CE1 4.01Å; K145-F155 HydrophobicContact CB-CG 4.36Å; K145-F155 HydrophobicContact CG-CD1 3.99Å
146	L	98.5	Very high	98.1	Very high	92 Å²	92	64.4 Å²	64.4	48%	0.482	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-35.6	174.6	-72.9	171.6	0	0	0	112	E142 R150	E142-L146 WeakPolarHBondContact O-CB 3.42Å; E142-L146 VanDerWaalsContact O-CG 3.29Å; E142-L146 WeakPolarHBondContact O-CG 3.09Å; E142-L146 PolarHBondContact O-N 2.94Å; L146-R150 WeakPolarHBondContact O-CB 3.44Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.17Å; L146-R150 PolarHBondContact O-N 2.96Å; L146-R150 VanDerWaalsContact O-N 3.09Å; L146-R150 PolarHBondContact O-NE 3.37Å
147	W	98.6	Very high	98.1	Very high	17 Å²	17	62.1 Å²	62.1	6%	0.064	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-44.6	173.2	-171.1	98.6	0	0	0	111.8	L94 F104 L107 L111 L126 D143 A144 K145 R150 H151 L153	L94-W147 HydrophobicContact CD2-CH2 4.04Å; L94-W147 HydrophobicContact CD2-CZ3 4.18Å; F104-W147 HydrophobicContact CE1-CG 4.42Å; F104-W147 HydrophobicContact CE2-CB 4.41Å; F104-W147 HydrophobicContact CZ-CB 3.72Å; F104-W147 AromaticContact CZ-CG 3.83Å; F104-W147 HydrophobicContact CZ-CG 3.83Å; L107-W147 HydrophobicContact CB-CH2 3.67Å; L107-W147 HydrophobicContact CB-CZ2 3.66Å; L107-W147 HydrophobicContact CB-CZ3 4.29Å; L107-W147 HydrophobicContact CD1-CE3 4.37Å; L107-W147 HydrophobicContact CD1-CH2 4.49Å; L107-W147 HydrophobicContact CD1-CZ3 4.32Å; L111-W147 HydrophobicContact CB-CH2 4.37Å; L111-W147 HydrophobicContact CD2-CH2 3.82Å; L111-W147 HydrophobicContact CD2-CZ2 4.4Å; L126-W147 HydrophobicContact CD1-CE3 4.48Å; L126-W147 HydrophobicContact CD1-CZ3 4.19Å; L126-W147 HydrophobicContact CD2-CE3 3.85Å; L126-W147 HydrophobicContact CD2-CZ3 4.31Å; D143-W147 WeakPolarHBondContact O-CB 3.34Å; D143-W147 PolarHBondContact O-N 2.99Å; A144-W147 WeakPolarHBondContact O-CB 3.48Å; A144-W147 PolarHBondContact O-N 3.04Å; K145-W147 VanDerWaalsContact C-N 3.26Å; K145-W147 PolarHBondContact O-N 2.98Å; W147-R150 PolarHBondContact O-N 3.48Å; W147-H151 AromaticContact CD1-CE1 3.91Å; W147-H151 AromaticContact CD2-CE1 3.85Å; W147-H151 AromaticContact CD2-ND1 3.49Å; W147-H151 AromaticContact CE2-CE1 3.32Å; W147-H151 AromaticContact CE2-ND1 3.4Å; W147-H151 AromaticContact CE3-ND1 3.82Å; W147-H151 AromaticContact CG-ND1 4Å; W147-H151 AromaticContact CZ2-CE1 3.59Å; W147-H151 AromaticContact CZ2-ND1 3.66Å; W147-H151 AromaticContact NE1-CE1 3.35Å; W147-H151 PolarHBondContact NE1-CE1 3.19Å; W147-H151 AromaticContact NE1-ND1 3.81Å; W147-H151 PolarHBondContact O-N 3.45Å; W147-H151 PolarHBondContact O-ND1 3.07Å; W147-L153 HydrophobicContact CE3-CD1 4.4Å; W147-L153 HydrophobicContact CH2-CD1 4.24Å; W147-L153 HydrophobicContact CZ3-CD1 3.56Å
148	A	98.7	Very high	98.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-46.3	176.9	0	0	0	0	0	111.9	L126 A144 K145 R150 H151 G152 L153 F155	L126-A148 HydrophobicContact CB-CB 4.07Å; L126-A148 HydrophobicContact CD2-CB 3.99Å; A144-A148 PolarHBondContact O-N 3.1Å; K145-A148 WeakPolarHBondContact O-CB 3.5Å; K145-A148 PolarHBondContact O-N 3.46Å; K145-A148 VanDerWaalsContact O-N 3.12Å; A148-R150 PolarHBondContact O-N 2.89Å; A148-H151 CarbonylContact O-C 3.49Å; A148-H151 PolarHBondContact O-N 2.93Å; A148-H151 VanDerWaalsContact O-N 3.08Å; A148-G152 PolarHBondContact O-N 3.2Å; A148-L153 HydrophobicContact CB-CB 4.19Å; A148-L153 PolarHBondContact O-N 2.85Å; A148-F155 HydrophobicContact CB-CB 3.82Å
149	E	98.3	Very high	98.2	Very high	111 Å²	111	56 Å²	56	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-59	-45.8	178	-72.9	173	-175.2	0	0	111.9	K145 H151 G152	K145-E149 VanDerWaalsContact CE-OE1 3.27Å; K145-E149 WeakPolarHBondContact CE-OE1 3.28Å; K145-E149 WeakPolarHBondContact O-CG 3.44Å; K145-E149 PolarHBondContact O-N 3.22Å; E149-H151 PolarHBondContact O-N 3.39Å; E149-G152 PolarHBondContact O-N 2.85Å
150	R	98.2	Very high	98.2	Very high	184 Å²	184	56.1 Å²	56.1	69%	0.694	28%	0.28	S	S	*	.	H	α-helix	trans	-59.3	-30	176.2	-77.2	-177.1	-62.5	-177.8	2.5	113.4	L146 W147 A148	L146-R150 WeakPolarHBondContact O-CB 3.44Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.17Å; L146-R150 PolarHBondContact O-N 2.96Å; L146-R150 VanDerWaalsContact O-N 3.09Å; L146-R150 PolarHBondContact O-NE 3.37Å; W147-R150 PolarHBondContact O-N 3.48Å; A148-R150 PolarHBondContact O-N 2.89Å
151	H	97.9	Very high	98.2	Very high	37 Å²	37	54.2 Å²	54.2	17%	0.171	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	0.6	179.5	-68.1	91.8	0	0	0	113.4	E108 L111 R115 W147 A148 E149 L153	E108-H151 IonicContact OE1-NE2 2.67Å; E108-H151 IonicContact OE2-CE1 3.95Å; E108-H151 IonicContact OE2-NE2 3.62Å; E108-H151 PolarHBondContact OE2-NE2 2.92Å; L111-H151 HydrophobicContact CD2-CB 3.81Å; L111-H151 VanDerWaalsContact CD2-CD2 3.48Å; L111-H151 WeakPolarHBondContact CD2-CD2 3.46Å; R115-H151 PolarHBondContact NH2-O 2.93Å; W147-H151 AromaticContact CD1-CE1 3.91Å; W147-H151 AromaticContact CD2-CE1 3.85Å; W147-H151 AromaticContact CD2-ND1 3.49Å; W147-H151 AromaticContact CE2-CE1 3.32Å; W147-H151 AromaticContact CE2-ND1 3.4Å; W147-H151 AromaticContact CE3-ND1 3.82Å; W147-H151 AromaticContact CG-ND1 4Å; W147-H151 AromaticContact CZ2-CE1 3.59Å; W147-H151 AromaticContact CZ2-ND1 3.66Å; W147-H151 AromaticContact NE1-CE1 3.35Å; W147-H151 PolarHBondContact NE1-CE1 3.19Å; W147-H151 AromaticContact NE1-ND1 3.81Å; W147-H151 PolarHBondContact O-N 3.45Å; W147-H151 PolarHBondContact O-ND1 3.07Å; A148-H151 CarbonylContact O-C 3.49Å; A148-H151 PolarHBondContact O-N 2.93Å; A148-H151 VanDerWaalsContact O-N 3.08Å; E149-H151 PolarHBondContact O-N 3.39Å; H151-L153 HydrophobicContact CB-CD1 4.03Å; H151-L153 HydrophobicContact CB-CD2 4.34Å; H151-L153 HydrophobicContact CB-CG 3.82Å
152	G	96.8	Very high	98.2	Very high	66 Å²	66	57.9 Å²	57.9	68%	0.68	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	37.5	-177.8	0	0	0	0	0	113.3	A148 E149	A148-G152 PolarHBondContact O-N 3.2Å; E149-G152 PolarHBondContact O-N 2.85Å
153	L	98.3	Very high	98.1	Very high	14 Å²	14	54.8 Å²	54.8	7%	0.073	28%	0.276	C	S	.	.			trans	-110.7	151.2	179.9	-41.1	178.4	0	0	0	110.8	L94 L111 I124 L126 W147 A148 H151	L94-L153 HydrophobicContact CD2-CD1 4.36Å; L111-L153 HydrophobicContact CD1-CD1 4.29Å; L111-L153 HydrophobicContact CD1-CD2 4.1Å; L111-L153 HydrophobicContact CD2-CD1 4.33Å; I124-L153 HydrophobicContact CB-CD2 3.61Å; I124-L153 HydrophobicContact CD1-CD2 4.16Å; I124-L153 HydrophobicContact CG1-CD2 4.44Å; I124-L153 HydrophobicContact CG2-CD1 4.17Å; I124-L153 HydrophobicContact CG2-CD2 3.77Å; I124-L153 HydrophobicContact CG2-CG 4.41Å; I124-L153 WeakPolarHBondContact O-CA 3.47Å; L126-L153 HydrophobicContact CB-CD1 4.48Å; W147-L153 HydrophobicContact CE3-CD1 4.4Å; W147-L153 HydrophobicContact CH2-CD1 4.24Å; W147-L153 HydrophobicContact CZ3-CD1 3.56Å; A148-L153 HydrophobicContact CB-CB 4.19Å; A148-L153 PolarHBondContact O-N 2.85Å; H151-L153 HydrophobicContact CB-CD1 4.03Å; H151-L153 HydrophobicContact CB-CD2 4.34Å; H151-L153 HydrophobicContact CB-CG 3.82Å
154	F	98.1	Very high	98.2	Very high	95 Å²	95	54.8 Å²	54.8	42%	0.417	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	160	163.6	-62.8	-84	0	0	0	110.1	V123 I124 M125 L126 T176	V123-F154 HydrophobicContact CG1-CD2 4.09Å; V123-F154 HydrophobicContact CG1-CE2 3.84Å; I124-F154 PolarHBondContact O-N 3.26Å; I124-F154 VanDerWaalsContact O-N 3.09Å; M125-F154 CarbonylContact C-O 3.19Å; M125-F154 WeakPolarHBondContact CA-O 3.37Å; M125-F154 HydrophobicContact CB-CB 4.04Å; M125-F154 HydrophobicContact CE-CB 3.87Å; M125-F154 HydrophobicContact CG-CB 3.93Å; L126-F154 PolarHBondContact N-O 2.98Å; F154-T176 HydrophobicContact CE2-CG2 3.72Å; F154-T176 HydrophobicContact CZ-CG2 3.72Å
155	F	98.6	Very high	98.1	Very high	44 Å²	44	55.6 Å²	55.6	19%	0.193	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134	178.1	174.3	-109.6	0	0	0	111.9	Y96 L126 T141 A144 K145 A148 E157	Y96-F155 HydrophobicContact CE1-CE2 4.43Å; L126-F155 HydrophobicContact CB-CD2 4.16Å; L126-F155 HydrophobicContact CD2-CD2 3.81Å; L126-F155 HydrophobicContact CD2-CE2 4.17Å; L126-F155 HydrophobicContact CG-CD2 4.01Å; L126-F155 HydrophobicContact CG-CE2 4.46Å; L126-F155 WeakPolarHBondContact O-CA 3.27Å; T141-F155 HydrophobicContact CG2-CE1 3.68Å; T141-F155 HydrophobicContact CG2-CZ 3.98Å; A144-F155 HydrophobicContact CB-CD2 4.48Å; A144-F155 HydrophobicContact CB-CE2 3.66Å; A144-F155 HydrophobicContact CB-CZ 3.87Å; K145-F155 HydrophobicContact CB-CD1 3.77Å; K145-F155 HydrophobicContact CB-CE1 4.01Å; K145-F155 HydrophobicContact CB-CG 4.36Å; K145-F155 HydrophobicContact CG-CD1 3.99Å; A148-F155 HydrophobicContact CB-CB 3.82Å; F155-E157 HydrophobicContact CE1-CG 4.28Å; F155-E157 HydrophobicContact CE2-CG 4.33Å; F155-E157 HydrophobicContact CZ-CG 3.64Å
156	M	98.4	Very high	98.1	Very high	44 Å²	44	51.6 Å²	51.6	22%	0.217	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.3	166.9	-83.9	-168.3	-103.7	0	0	111.1	M125 L126 V127 G128 N168 A169 S172	M125-M156 HydrophobicContact CE-CE 3.33Å; M125-M156 HydrophobicContact SD-CB 4.38Å; M125-M156 HydrophobicContact SD-CE 3.62Å; L126-M156 PolarHBondContact O-N 2.98Å; V127-M156 VanDerWaalsContact CA-O 3.31Å; V127-M156 WeakPolarHBondContact CA-O 3.17Å; G128-M156 PolarHBondContact N-O 3.2Å; M156-N168 WeakPolarHBondContact CE-O 3.39Å; M156-N168 HydrophobicContact SD-CB 3.94Å; M156-A169 HydrophobicContact CE-CB 4.39Å; M156-A169 HydrophobicContact SD-CB 4.47Å; M156-S172 VanDerWaalsContact CE-CB 3.45Å
157	E	98.6	Very high	98.1	Very high	41 Å²	41	52.9 Å²	52.9	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.6	165.9	-67.5	-169.3	164.9	0	0	110.6	G128 C131 R137 T141 F155	G128-E157 CarbonylContact O-C 3.39Å; G128-E157 WeakPolarHBondContact O-CA 3.27Å; G128-E157 WeakPolarHBondContact O-CB 3.46Å; C131-E157 HydrophobicContact CB-CB 4.04Å; R137-E157 IonicContact CZ-OE1 3.29Å; R137-E157 VanDerWaalsContact CZ-OE1 3.29Å; R137-E157 IonicContact CZ-OE2 3.72Å; R137-E157 IonicContact NH1-OE1 2.73Å; R137-E157 PolarHBondContact NH1-OE1 2.76Å; R137-E157 IonicContact NH1-OE2 3.9Å; R137-E157 IonicContact NH2-OE1 3.02Å; R137-E157 PolarHBondContact NH2-OE1 3.06Å; R137-E157 IonicContact NH2-OE2 2.7Å; R137-E157 PolarHBondContact NH2-OE2 2.97Å; T141-E157 WeakPolarHBondContact CB-OE1 3.14Å; T141-E157 HydrophobicContact CG2-CG 4.43Å; T141-E157 PolarHBondContact OG1-OE1 3.03Å; F155-E157 HydrophobicContact CE1-CG 4.28Å; F155-E157 HydrophobicContact CE2-CG 4.33Å; F155-E157 HydrophobicContact CZ-CG 3.64Å
158	T	98.8	Very high	98.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.2	-177	61.3	0	0	0	0	111.9	L32 V127 G128 N129 K130 C131 T164 A169	L32-T158 HydrophobicContact CD2-CG2 4.49Å; L32-T158 WeakPolarHBondContact CD2-OG1 3.41Å; V127-T158 HydrophobicContact CG1-CG2 3.66Å; V127-T158 VanDerWaalsContact CG1-OG1 3.26Å; V127-T158 WeakPolarHBondContact CG1-OG1 3.43Å; G128-T158 PolarHBondContact O-N 3.11Å; N129-T158 CarbonylContact C-O 3.59Å; N129-T158 WeakPolarHBondContact CA-O 3.5Å; N129-T158 PolarHBondContact OD1-O 3.4Å; N129-T158 PolarHBondContact OD1-OG1 2.94Å; K130-T158 PolarHBondContact N-O 2.74Å; C131-T158 PolarHBondContact N-O 2.86Å; C131-T158 PolarHBondContact SG-O 3.23Å; C131-T158 VanDerWaalsContact SG-O 3.34Å; T158-T164 CarbonylContact C-O 3.47Å; T158-T164 VanDerWaalsContact CA-O 3.24Å; T158-T164 WeakPolarHBondContact CA-O 3.4Å; T158-A169 HydrophobicContact CG2-CB 4.11Å
159	S	98.4	Very high	98.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-126	112.2	160	176.7	0	0	0	0	108.5	D132 L161 E162 S163 T164 V166	D132-S159 WeakPolarHBondContact OD1-CB 3.06Å; D132-S159 PolarHBondContact OD1-OG 2.62Å; S159-L161 PolarHBondContact O-N 3.25Å; S159-L161 PolarHBondContact OG-N 3.43Å; S159-E162 PolarHBondContact OG-N 2.88Å; S159-S163 CarbonylContact O-C 3.47Å; S159-S163 VanDerWaalsContact O-CA 3.25Å; S159-S163 WeakPolarHBondContact O-CA 3.27Å; S159-S163 PolarHBondContact O-N 2.69Å; S159-T164 PolarHBondContact N-O 3.12Å; S159-T164 PolarHBondContact O-N 3.38Å; S159-V166 WeakPolarHBondContact O-CG2 3.29Å
160	A	97.7	Very high	98.1	Very high	3 Å²	3	52 Å²	52	3%	0.025	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.4	170.7	0	0	0	0	0	112.2	N31 L32 R35 F41 N129	N31-A160 HydrophobicContact CB-CB 3.84Å; L32-A160 HydrophobicContact CD2-CB 3.97Å; L32-A160 HydrophobicContact CG-CB 4.3Å; R35-A160 PolarHBondContact NE-O 3.06Å; R35-A160 PolarHBondContact NH2-O 2.91Å; F41-A160 HydrophobicContact CD2-CB 3.97Å; F41-A160 HydrophobicContact CE2-CB 4.14Å; N129-A160 PolarHBondContact OD1-N 3.4Å
161	L	97.4	Very high	98.1	Very high	70 Å²	70	47.5 Å²	47.5	37%	0.366	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-58.1	177.2	175.3	61.1	0	0	0	110.2	R35 F41 S159 S163	R35-L161 PolarHBondContact NH2-O 3.2Å; R35-L161 VanDerWaalsContact NH2-O 3.15Å; F41-L161 HydrophobicContact CD1-CD1 3.76Å; F41-L161 HydrophobicContact CD2-CB 4.45Å; F41-L161 HydrophobicContact CE1-CB 4.38Å; F41-L161 HydrophobicContact CE1-CD1 3.56Å; F41-L161 HydrophobicContact CE2-CB 4.06Å; F41-L161 HydrophobicContact CG-CD1 4.42Å; F41-L161 HydrophobicContact CZ-CB 4.02Å; F41-L161 HydrophobicContact CZ-CD1 4.06Å; S159-L161 PolarHBondContact O-N 3.25Å; S159-L161 PolarHBondContact OG-N 3.43Å; L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 2.87Å
162	E	97.5	Very high	98.1	Very high	122 Å²	122	47.4 Å²	47.4	57%	0.57	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	8	-176.4	-60.1	-59.6	153.3	0	0	113.4	D132 S159 T164	D132-E162 HydrophobicContact CB-CG 3.73Å; S159-E162 PolarHBondContact OG-N 2.88Å; E162-T164 PolarHBondContact O-N 2.67Å; E162-T164 PolarHBondContact O-OG1 3.49Å
163	S	97.3	Very high	98.1	Very high	52 Å²	52	44.3 Å²	44.3	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	20.5	-174.7	-164.4	0	0	0	0	114.6	S159 L161	S159-S163 CarbonylContact O-C 3.47Å; S159-S163 VanDerWaalsContact O-CA 3.25Å; S159-S163 WeakPolarHBondContact O-CA 3.27Å; S159-S163 PolarHBondContact O-N 2.69Å; L161-S163 VanDerWaalsContact C-N 3.27Å; L161-S163 PolarHBondContact O-N 2.87Å
164	T	98.4	Very high	98.1	Very high	70 Å²	70	43.7 Å²	43.7	43%	0.429	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-78.9	126.7	-176	-62.8	0	0	0	0	110	T158 S159 E162 V166	T158-T164 CarbonylContact C-O 3.47Å; T158-T164 VanDerWaalsContact CA-O 3.24Å; T158-T164 WeakPolarHBondContact CA-O 3.4Å; S159-T164 PolarHBondContact N-O 3.12Å; S159-T164 PolarHBondContact O-N 3.38Å; E162-T164 PolarHBondContact O-N 2.67Å; E162-T164 PolarHBondContact O-OG1 3.49Å; T164-V166 PolarHBondContact O-N 3.35Å
165	G	97.8	Very high	98.1	Very high	17 Å²	17	44 Å²	44	18%	0.175	22%	0.223	C	C	.	.	S	Bend	trans	70.9	-6.1	173.7	0	0	0	0	0	115.7	N168 A169	G165-N168 PolarHBondContact O-N 3.39Å; G165-A169 WeakPolarHBondContact O-CB 3.35Å; G165-A169 PolarHBondContact O-N 3.3Å
166	V	98.4	Very high	98	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-55.3	-175	-179.4	0	0	0	0	110.9	L32 R35 F36 S159 T164 N168 A169 F170	L32-V166 HydrophobicContact CD2-CG1 4.31Å; L32-V166 HydrophobicContact CD2-CG2 3.82Å; R35-V166 HydrophobicContact CB-CG1 4.23Å; R35-V166 HydrophobicContact CG-CB 4.23Å; R35-V166 HydrophobicContact CG-CG1 3.98Å; R35-V166 HydrophobicContact CG-CG2 4.04Å; F36-V166 HydrophobicContact CB-CG1 4Å; S159-V166 WeakPolarHBondContact O-CG2 3.29Å; T164-V166 PolarHBondContact O-N 3.35Å; V166-N168 VanDerWaalsContact C-N 3.31Å; V166-N168 PolarHBondContact O-N 3.36Å; V166-A169 PolarHBondContact O-N 2.94Å; V166-F170 HydrophobicContact CG1-CD2 4.09Å; V166-F170 HydrophobicContact CG1-CE2 4.08Å; V166-F170 WeakPolarHBondContact O-CD2 3.41Å; V166-F170 PolarHBondContact O-N 3.26Å
167	E	97.5	Very high	97.9	Very high	119 Å²	119	41.5 Å²	41.5	56%	0.556	21%	0.214	S	C	*	.	H	α-helix	trans	-58.7	-44.9	177.1	-69.2	-166.3	159.5	0	0	111.4	A169 F170 Y171	E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 2.81Å; E167-F170 PolarHBondContact O-N 2.87Å; E167-Y171 HydrophobicContact CB-CD2 4.26Å; E167-Y171 WeakPolarHBondContact O-CB 3.48Å; E167-Y171 WeakPolarHBondContact O-CD2 3.49Å; E167-Y171 PolarHBondContact O-N 3.32Å
168	N	98.1	Very high	97.8	Very high	109 Å²	109	39.8 Å²	39.8	58%	0.583	21%	0.206	S	C	*	.	H	α-helix	trans	-57.1	-43.4	179.5	-66	-14.8	0	0	0	112.1	M156 G165 V166 S172	M156-N168 WeakPolarHBondContact CE-O 3.39Å; M156-N168 HydrophobicContact SD-CB 3.94Å; G165-N168 PolarHBondContact O-N 3.39Å; V166-N168 VanDerWaalsContact C-N 3.31Å; V166-N168 PolarHBondContact O-N 3.36Å; N168-S172 WeakPolarHBondContact O-CB 3.37Å; N168-S172 PolarHBondContact O-N 2.92Å
169	A	98.5	Very high	97.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-49.9	177.8	0	0	0	0	0	112.1	M125 M156 T158 G165 V166 E167 I173	M125-A169 HydrophobicContact SD-CB 3.97Å; M156-A169 HydrophobicContact CE-CB 4.39Å; M156-A169 HydrophobicContact SD-CB 4.47Å; T158-A169 HydrophobicContact CG2-CB 4.11Å; G165-A169 WeakPolarHBondContact O-CB 3.35Å; G165-A169 PolarHBondContact O-N 3.3Å; V166-A169 PolarHBondContact O-N 2.94Å; E167-A169 VanDerWaalsContact C-N 3.31Å; E167-A169 PolarHBondContact O-N 2.81Å; A169-I173 PolarHBondContact O-N 3.42Å; A169-I173 VanDerWaalsContact O-N 3.14Å
170	F	98.4	Very high	97.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-42.5	-179.7	-77.9	-79.7	0	0	0	112.8	L21 L32 F36 I69 L93 V166 E167 I173 L174	L21-F170 HydrophobicContact CD1-CZ 4.36Å; L21-F170 HydrophobicContact CD2-CE1 3.95Å; L21-F170 HydrophobicContact CD2-CZ 3.92Å; L32-F170 HydrophobicContact CB-CE2 4.37Å; F36-F170 HydrophobicContact CB-CD2 3.57Å; F36-F170 HydrophobicContact CB-CE2 3.59Å; F36-F170 HydrophobicContact CB-CG 4.21Å; F36-F170 HydrophobicContact CB-CZ 4.23Å; F36-F170 HydrophobicContact CD1-CB 4.07Å; F36-F170 AromaticContact CD1-CD1 3.79Å; F36-F170 HydrophobicContact CD1-CD1 3.79Å; F36-F170 AromaticContact CD1-CD2 3.93Å; F36-F170 HydrophobicContact CD1-CD2 3.93Å; F36-F170 HydrophobicContact CD1-CE1 4.19Å; F36-F170 HydrophobicContact CD1-CE2 4.32Å; F36-F170 AromaticContact CD1-CG 3.66Å; F36-F170 HydrophobicContact CD1-CG 3.66Å; F36-F170 HydrophobicContact CD1-CZ 4.43Å; F36-F170 HydrophobicContact CD2-CB 3.68Å; F36-F170 AromaticContact CD2-CD2 3.75Å; F36-F170 HydrophobicContact CD2-CD2 3.75Å; F36-F170 AromaticContact CD2-CG 3.83Å; F36-F170 HydrophobicContact CD2-CG 3.83Å; F36-F170 HydrophobicContact CE1-CB 3.89Å; F36-F170 HydrophobicContact CE1-CD1 4.01Å; F36-F170 AromaticContact CE1-CG 3.93Å; F36-F170 HydrophobicContact CE1-CG 3.93Å; F36-F170 HydrophobicContact CE2-CB 3.48Å; F36-F170 VanDerWaalsContact CE2-CB 3.48Å; F36-F170 HydrophobicContact CE2-CD2 4.44Å; F36-F170 HydrophobicContact CE2-CG 4.08Å; F36-F170 HydrophobicContact CG-CB 3.97Å; F36-F170 HydrophobicContact CG-CD1 4.19Å; F36-F170 AromaticContact CG-CD2 3.45Å; F36-F170 HydrophobicContact CG-CD2 3.45Å; F36-F170 VanDerWaalsContact CG-CD2 3.45Å; F36-F170 AromaticContact CG-CE2 3.93Å; F36-F170 HydrophobicContact CG-CE2 3.93Å; F36-F170 AromaticContact CG-CG 3.61Å; F36-F170 HydrophobicContact CG-CG 3.61Å; F36-F170 HydrophobicContact CG-CZ 4.47Å; F36-F170 HydrophobicContact CZ-CB 3.59Å; F36-F170 HydrophobicContact CZ-CG 4.13Å; I69-F170 HydrophobicContact CD1-CD1 3.88Å; I69-F170 HydrophobicContact CD1-CE1 3.76Å; I69-F170 HydrophobicContact CG1-CE1 4.48Å; I69-F170 HydrophobicContact CG2-CE1 4.04Å; L93-F170 HydrophobicContact CD1-CD1 4.02Å; L93-F170 HydrophobicContact CD1-CD2 4.31Å; L93-F170 HydrophobicContact CD1-CE1 3.62Å; L93-F170 HydrophobicContact CD1-CE2 3.94Å; L93-F170 HydrophobicContact CD1-CG 4.35Å; L93-F170 HydrophobicContact CD1-CZ 3.58Å; V166-F170 HydrophobicContact CG1-CD2 4.09Å; V166-F170 HydrophobicContact CG1-CE2 4.08Å; V166-F170 WeakPolarHBondContact O-CD2 3.41Å; V166-F170 PolarHBondContact O-N 3.26Å; E167-F170 PolarHBondContact O-N 2.87Å; F170-I173 VanDerWaalsContact O-CG2 3.28Å; F170-I173 WeakPolarHBondContact O-CG2 3.19Å; F170-L174 WeakPolarHBondContact O-CB 3.49Å; F170-L174 WeakPolarHBondContact O-CD1 3.24Å; F170-L174 WeakPolarHBondContact O-CG 3.39Å; F170-L174 PolarHBondContact O-N 3.37Å; F170-L174 VanDerWaalsContact O-N 3.1Å
171	Y	98.1	Very high	97	Very high	89 Å²	89	47.1 Å²	47.1	35%	0.349	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-39.6	176.8	-88.3	-87.4	0	0	0	112	F36 V58 I60 E167 L174 R175	F36-Y171 HydrophobicContact CE2-CD2 4.21Å; F36-Y171 HydrophobicContact CE2-CE2 4.09Å; V58-Y171 HydrophobicContact CB-CE1 3.81Å; V58-Y171 HydrophobicContact CG1-CE1 4.09Å; V58-Y171 HydrophobicContact CG1-CE2 4.37Å; V58-Y171 HydrophobicContact CG2-CE1 4.38Å; I60-Y171 HydrophobicContact CD1-CD1 4.29Å; I60-Y171 HydrophobicContact CG1-CD1 4.37Å; E167-Y171 HydrophobicContact CB-CD2 4.26Å; E167-Y171 WeakPolarHBondContact O-CB 3.48Å; E167-Y171 WeakPolarHBondContact O-CD2 3.49Å; E167-Y171 PolarHBondContact O-N 3.32Å; Y171-L174 PolarHBondContact O-N 3.2Å; Y171-R175 WeakPolarHBondContact O-CB 3.25Å; Y171-R175 PolarHBondContact O-N 3.13Å
172	S	98.1	Very high	96.5	Very high	35 Å²	35	50.3 Å²	50.3	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-45.1	179.2	173.8	0	0	0	0	111.5	M125 M156 N168 R175 T176	M125-S172 WeakPolarHBondContact CE-OG 3.46Å; M156-S172 VanDerWaalsContact CE-CB 3.45Å; N168-S172 WeakPolarHBondContact O-CB 3.37Å; N168-S172 PolarHBondContact O-N 2.92Å; S172-R175 PolarHBondContact O-N 3.03Å; S172-T176 PolarHBondContact O-N 3.46Å; S172-T176 PolarHBondContact O-OG1 3.48Å
173	I	97.9	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-42.7	177.9	-164.2	165.3	0	0	0	111.7	A92 L93 V123 M125 A169 F170 R175 T176 I177	A92-I173 WeakPolarHBondContact O-CD1 3.06Å; L93-I173 HydrophobicContact CD2-CB 4.36Å; L93-I173 HydrophobicContact CD2-CD1 3.77Å; L93-I173 HydrophobicContact CD2-CG2 4.15Å; V123-I173 HydrophobicContact CB-CG1 4.44Å; V123-I173 HydrophobicContact CG1-CG1 3.97Å; M125-I173 HydrophobicContact CB-CD1 4.32Å; M125-I173 HydrophobicContact CE-CB 4.37Å; A169-I173 PolarHBondContact O-N 3.42Å; A169-I173 VanDerWaalsContact O-N 3.14Å; F170-I173 VanDerWaalsContact O-CG2 3.28Å; F170-I173 WeakPolarHBondContact O-CG2 3.19Å; I173-R175 VanDerWaalsContact C-N 3.33Å; I173-R175 PolarHBondContact O-N 2.91Å; I173-T176 PolarHBondContact O-N 2.97Å; I173-I177 HydrophobicContact CG1-CD1 4.05Å; I173-I177 WeakPolarHBondContact O-CD1 3.49Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 2.97Å
174	L	98	Very high	94.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-39	178	-68.8	171.8	0	0	0	112	F17 V19 V58 I60 I65 A67 F170 Y171 I177 F178	F17-L174 HydrophobicContact CB-CD2 4.15Å; F17-L174 HydrophobicContact CD2-CD2 4.06Å; V19-L174 HydrophobicContact CG2-CD2 3.96Å; V58-L174 HydrophobicContact CG2-CD1 3.8Å; I60-L174 HydrophobicContact CD1-CB 3.82Å; I65-L174 HydrophobicContact CG2-CD2 4.46Å; A67-L174 HydrophobicContact CB-CD1 3.88Å; A67-L174 HydrophobicContact CB-CD2 3.75Å; A67-L174 HydrophobicContact CB-CG 4.48Å; F170-L174 WeakPolarHBondContact O-CB 3.49Å; F170-L174 WeakPolarHBondContact O-CD1 3.24Å; F170-L174 WeakPolarHBondContact O-CG 3.39Å; F170-L174 PolarHBondContact O-N 3.37Å; F170-L174 VanDerWaalsContact O-N 3.1Å; Y171-L174 PolarHBondContact O-N 3.2Å; L174-I177 PolarHBondContact O-N 2.95Å; L174-F178 WeakPolarHBondContact O-CB 3.46Å; L174-F178 PolarHBondContact O-N 3.21Å
175	R	97.6	Very high	93.1	Very high	103 Å²	103	54 Å²	54	39%	0.389	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-46.3	175.9	-171.2	178.9	-158.7	97.9	11	111.6	I60 D61 Y171 S172 I173 I177 F178 E179	I60-R175 HydrophobicContact CD1-CB 4.13Å; I60-R175 HydrophobicContact CG2-CB 4.37Å; I60-R175 HydrophobicContact CG2-CG 4.05Å; D61-R175 IonicContact OD1-CZ 2.78Å; D61-R175 IonicContact OD1-NH1 3.84Å; D61-R175 IonicContact OD1-NH2 2.69Å; D61-R175 PolarHBondContact OD1-NH2 2.84Å; D61-R175 IonicContact OD2-NH2 3.32Å; Y171-R175 WeakPolarHBondContact O-CB 3.25Å; Y171-R175 PolarHBondContact O-N 3.13Å; S172-R175 PolarHBondContact O-N 3.03Å; I173-R175 VanDerWaalsContact C-N 3.33Å; I173-R175 PolarHBondContact O-N 2.91Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-I177 PolarHBondContact O-N 3Å; R175-F178 WeakPolarHBondContact O-CB 3.42Å; R175-F178 PolarHBondContact O-N 3.34Å; R175-E179 IonicContact NE-OE1 3.49Å; R175-E179 PolarHBondContact NE-OE1 2.9Å; R175-E179 WeakPolarHBondContact O-CG 3.21Å; R175-E179 PolarHBondContact O-N 2.88Å
176	T	97	Very high	91	Very high	31 Å²	31	57.7 Å²	57.7	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-42.7	177.9	-58.6	0	0	0	0	111.5	V123 F154 S172 I173 F178 E179 A180	V123-T176 HydrophobicContact CG1-CG2 3.7Å; V123-T176 HydrophobicContact CG2-CG2 4.09Å; F154-T176 HydrophobicContact CE2-CG2 3.72Å; F154-T176 HydrophobicContact CZ-CG2 3.72Å; S172-T176 PolarHBondContact O-N 3.46Å; S172-T176 PolarHBondContact O-OG1 3.48Å; I173-T176 PolarHBondContact O-N 2.97Å; T176-F178 VanDerWaalsContact C-N 3.34Å; T176-E179 PolarHBondContact O-N 3.47Å; T176-A180 WeakPolarHBondContact O-CB 3.42Å; T176-A180 PolarHBondContact O-N 3.28Å
177	I	96.6	Very high	88.9	Confident	4 Å²	4	63 Å²	63	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-45	175.3	-64	159.8	0	0	0	110.3	F17 V19 V90 V123 I173 L174 R175 E179 A180 V181	F17-I177 HydrophobicContact CD1-CG2 3.89Å; F17-I177 HydrophobicContact CD2-CB 4.1Å; F17-I177 HydrophobicContact CD2-CG2 3.7Å; F17-I177 HydrophobicContact CE1-CG2 3.89Å; F17-I177 HydrophobicContact CE2-CB 4.05Å; F17-I177 HydrophobicContact CE2-CG2 3.68Å; F17-I177 HydrophobicContact CG-CG2 3.83Å; F17-I177 HydrophobicContact CZ-CG2 3.8Å; V19-I177 HydrophobicContact CG2-CD1 4.27Å; V90-I177 HydrophobicContact CB-CG2 4.23Å; V90-I177 HydrophobicContact CG2-CD1 4.3Å; V90-I177 HydrophobicContact CG2-CG2 3.92Å; V123-I177 HydrophobicContact CB-CG1 3.81Å; V123-I177 HydrophobicContact CG1-CG1 4.47Å; V123-I177 HydrophobicContact CG2-CG1 3.72Å; I173-I177 HydrophobicContact CG1-CD1 4.05Å; I173-I177 WeakPolarHBondContact O-CD1 3.49Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 2.97Å; L174-I177 PolarHBondContact O-N 2.95Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-I177 PolarHBondContact O-N 3Å; I177-E179 VanDerWaalsContact C-N 3.33Å; I177-E179 PolarHBondContact O-N 2.88Å; I177-A180 PolarHBondContact O-N 3.33Å; I177-V181 HydrophobicContact CG2-CG2 4.35Å; I177-V181 WeakPolarHBondContact O-CG2 3.12Å; I177-V181 PolarHBondContact O-N 3.15Å
178	F	96.2	Very high	86.2	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.018	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-44.1	177.1	175.5	-114.3	0	0	0	112.2	Y15 F17 I60 D61 R63 I65 L174 R175 T176 V181 R182	Y15-F178 HydrophobicContact CD2-CD2 4.1Å; Y15-F178 AromaticContact CD2-CE2 3.95Å; Y15-F178 HydrophobicContact CD2-CE2 3.95Å; Y15-F178 HydrophobicContact CE2-CD2 4.02Å; Y15-F178 AromaticContact CE2-CE2 3.46Å; Y15-F178 HydrophobicContact CE2-CE2 3.46Å; Y15-F178 VanDerWaalsContact CE2-CE2 3.46Å; Y15-F178 HydrophobicContact CG-CD2 4.5Å; Y15-F178 AromaticContact CZ-CE2 3.77Å; F17-F178 HydrophobicContact CE2-CB 3.92Å; F17-F178 HydrophobicContact CZ-CB 4.23Å; I60-F178 HydrophobicContact CG2-CD1 3.99Å; D61-F178 HydrophobicContact CB-CE1 3.93Å; R63-F178 HydrophobicContact CB-CE2 4.15Å; R63-F178 HydrophobicContact CB-CZ 4.21Å; R63-F178 HydrophobicContact CG-CE2 3.92Å; R63-F178 HydrophobicContact CG-CZ 3.73Å; I65-F178 HydrophobicContact CD1-CB 3.89Å; I65-F178 HydrophobicContact CD1-CD2 4.16Å; I65-F178 HydrophobicContact CD1-CG 4.05Å; L174-F178 WeakPolarHBondContact O-CB 3.46Å; L174-F178 PolarHBondContact O-N 3.21Å; R175-F178 WeakPolarHBondContact O-CB 3.42Å; R175-F178 PolarHBondContact O-N 3.34Å; T176-F178 VanDerWaalsContact C-N 3.34Å; F178-V181 PolarHBondContact O-N 3.34Å; F178-R182 VanDerWaalsContact O-CB 3.22Å; F178-R182 WeakPolarHBondContact O-CB 3.03Å; F178-R182 PolarHBondContact O-N 2.87Å
179	E	95.1	Very high	83.3	Confident	79 Å²	79	63.7 Å²	63.7	37%	0.369	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-38.8	177.8	-72	172.1	-175.5	0	0	112.3	R175 T176 I177 S183	R175-E179 IonicContact NE-OE1 3.49Å; R175-E179 PolarHBondContact NE-OE1 2.9Å; R175-E179 WeakPolarHBondContact O-CG 3.21Å; R175-E179 PolarHBondContact O-N 2.88Å; T176-E179 PolarHBondContact O-N 3.47Å; I177-E179 VanDerWaalsContact C-N 3.33Å; I177-E179 PolarHBondContact O-N 2.88Å; E179-S183 WeakPolarHBondContact O-CB 3.31Å; E179-S183 PolarHBondContact O-N 2.99Å; E179-S183 PolarHBondContact O-OG 2.56Å
180	A	92.2	Very high	80.6	Confident	46 Å²	46	68.4 Å²	68.4	38%	0.38	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-48.3	174.3	0	0	0	0	0	111.7	T176 I177 R182 S183 H184	T176-A180 WeakPolarHBondContact O-CB 3.42Å; T176-A180 PolarHBondContact O-N 3.28Å; I177-A180 PolarHBondContact O-N 3.33Å; A180-R182 PolarHBondContact O-N 3.37Å; A180-S183 PolarHBondContact O-N 2.81Å; A180-S183 PolarHBondContact O-OG 2.92Å; A180-H184 PolarHBondContact O-N 2.95Å; A180-H184 VanDerWaalsContact O-N 3.15Å
181	V	90.2	Very high	77.8	Confident	33 Å²	33	73 Å²	73	20%	0.2	41%	0.411	C	S	.	.	H	α-helix	trans	-66.4	-38.7	178.3	173.6	0	0	0	0	111.8	Y15 F17 I177 F178 H184	Y15-V181 HydrophobicContact CD1-CG1 4.26Å; Y15-V181 HydrophobicContact CE1-CG1 3.95Å; F17-V181 HydrophobicContact CE1-CG2 4.21Å; F17-V181 HydrophobicContact CZ-CG2 4.42Å; I177-V181 HydrophobicContact CG2-CG2 4.35Å; I177-V181 WeakPolarHBondContact O-CG2 3.12Å; I177-V181 PolarHBondContact O-N 3.15Å; F178-V181 PolarHBondContact O-N 3.34Å; V181-H184 CarbonylContact O-C 3.58Å; V181-H184 PolarHBondContact O-N 3.11Å
182	R	87	Confident	75.2	Confident	138 Å²	138	73 Å²	73	52%	0.521	42%	0.415	S	S	.	.	H	α-helix	trans	-67.7	-36	179	-173.2	-179.2	71.9	-177.1	-3.8	112.4	D61 F178 A180	D61-R182 IonicContact OD2-NH1 3.53Å; F178-R182 VanDerWaalsContact O-CB 3.22Å; F178-R182 WeakPolarHBondContact O-CB 3.03Å; F178-R182 PolarHBondContact O-N 2.87Å; A180-R182 PolarHBondContact O-N 3.37Å
183	S	84.3	Confident	72.3	Confident	75 Å²	75	78 Å²	78	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-75.3	-27	178.1	55	0	0	0	0	112.8	E179 A180	E179-S183 WeakPolarHBondContact O-CB 3.31Å; E179-S183 PolarHBondContact O-N 2.99Å; E179-S183 PolarHBondContact O-OG 2.56Å; A180-S183 PolarHBondContact O-N 2.81Å; A180-S183 PolarHBondContact O-OG 2.92Å
184	H	76.2	Confident	69.2	Low	150 Å²	150	85.9 Å²	85.9	69%	0.694	47%	0.471	S	S	*	.	S	Bend	trans	-128	69.5	178.9	-59.8	82.2	0	0	0	110.6	A180 V181	A180-H184 PolarHBondContact O-N 2.95Å; A180-H184 VanDerWaalsContact O-N 3.15Å; V181-H184 CarbonylContact O-C 3.58Å; V181-H184 PolarHBondContact O-N 3.11Å
185	P	61.4	Low	66.3	Low	96 Å²	96	88.6 Å²	88.6	62%	0.623	49%	0.49	S	S	*	.			trans	-60	130.9	177.6	23	-30.2	0	0	0	109.1	A187	P185-A187 PolarHBondContact O-N 3.28Å
186	P	55.1	Low	63.3	Low	94 Å²	94	88.7 Å²	88.7	61%	0.61	50%	0.504	S	S	*	.			trans	-56.6	137.8	178	20.2	-29.7	0	0	0	109.5	S188	P186-S188 PolarHBondContact O-N 2.7Å
187	A	52.8	Low	60.2	Low	115 Å²	115	96.1 Å²	96.1	95%	0.95	53%	0.53	S	S	*	.	S	Bend	trans	-63.2	4.3	-173.1	0	0	0	0	0	114.8	P185	P185-A187 PolarHBondContact O-N 3.28Å
188	S	40.8	Very low	57.5	Low	67 Å²	67	100.8 Å²	100.8	47%	0.469	56%	0.561	S	S	.	*	S	Bend	trans	-150.2	140	175.8	49.5	0	0	0	0	108.9	P186 V190	P186-S188 PolarHBondContact O-N 2.7Å; S188-V190 PolarHBondContact O-N 2.72Å; S188-V190 WeakPolarHBondContact OG-CG2 3.5Å
189	N	37.7	Very low	54.5	Low	174 Å²	174	107.9 Å²	107.9	93%	0.93	60%	0.599	S	S	*	*			trans	-64.7	47.4	168.5	-76.1	-29.1	0	0	0	111.1	D191	N189-D191 PolarHBondContact O-N 2.73Å
190	V	41.5	Very low	51.5	Low	101 Å²	101	110.3 Å²	110.3	61%	0.612	61%	0.61	S	S	*	*			trans	-74	96.6	164.8	-176.3	0	0	0	0	103.7	S188 M192	S188-V190 PolarHBondContact O-N 2.72Å; S188-V190 WeakPolarHBondContact OG-CG2 3.5Å; V190-M192 PolarHBondContact O-N 3.02Å
191	D	41.3	Very low	48.6	Very low	99 Å²	99	113.4 Å²	113.4	53%	0.529	63%	0.626	S	S	.	*			trans	-18	110.6	162.1	-80.1	-70.6	0	0	0	109.8	N189 K193	N189-D191 PolarHBondContact O-N 2.73Å; D191-K193 HydrophobicContact CB-CB 3.93Å; D191-K193 HydrophobicContact CB-CD 4.17Å; D191-K193 HydrophobicContact CB-CG 3.95Å; D191-K193 PolarHBondContact O-N 3.45Å; D191-K193 WeakPolarHBondContact OD1-CD 3.37Å; D191-K193 WeakPolarHBondContact OD1-CE 3.46Å; D191-K193 IonicContact OD1-NZ 3.52Å
192	M	43	Very low	46	Very low	87 Å²	87	118.7 Å²	118.7	43%	0.429	65%	0.652	S	S	.	*	S	Bend	trans	-65.8	26.9	164	-154.6	174.6	178.3	0	0	110.6	F17 V90 V190 M194	F17-M192 HydrophobicContact CD1-CE 4.08Å; F17-M192 HydrophobicContact CE1-CE 4.3Å; F17-M192 HydrophobicContact CE1-SD 4.38Å; V90-M192 HydrophobicContact CG1-CE 4.09Å; V190-M192 PolarHBondContact O-N 3.02Å; M192-M194 VanDerWaalsContact C-N 3.28Å; M192-M194 PolarHBondContact O-N 3.22Å
193	K	36.7	Very low	43.4	Very low	142 Å²	142	117.6 Å²	117.6	62%	0.617	66%	0.66	S	S	*	*			trans	-90.3	58.5	165.7	-55.2	179.3	-177	167.8	0	108.2	D191	D191-K193 HydrophobicContact CB-CB 3.93Å; D191-K193 HydrophobicContact CB-CD 4.17Å; D191-K193 HydrophobicContact CB-CG 3.95Å; D191-K193 PolarHBondContact O-N 3.45Å; D191-K193 WeakPolarHBondContact OD1-CD 3.37Å; D191-K193 WeakPolarHBondContact OD1-CE 3.46Å; D191-K193 IonicContact OD1-NZ 3.52Å
194	M	32.5	Very low	40.9	Very low	165 Å²	165	117.9 Å²	117.9	81%	0.813	66%	0.662	S	S	*	*			trans	-128.9	93.7	173	-140.9	165.5	-174	0	0	111.1	M192	M192-M194 VanDerWaalsContact C-N 3.28Å; M192-M194 PolarHBondContact O-N 3.22Å
195	S	36.6	Very low	39.1	Very low	57 Å²	57	113.5 Å²	113.5	40%	0.399	65%	0.647	S	S	.	*			trans	-169.9	85.6	142.5	164.9	0	0	0	0	108.7	Y197	S195-Y197 VanDerWaalsContact C-N 3.31Å; S195-Y197 PolarHBondContact O-N 3.37Å; S195-Y197 WeakPolarHBondContact OG-CD2 2.95Å
196	P	36.5	Very low	37.9	Very low	106 Å²	106	115.5 Å²	115.5	69%	0.688	65%	0.653	S	S	*	*			trans	-82.5	82.1	165.4	34.2	-27.3	0	0	0	108	P198	P196-P198 VanDerWaalsContact C-CD 3.45Å
197	Y	31.3	Very low	37.1	Very low	186 Å²	186	117.2 Å²	117.2	73%	0.729	66%	0.662	S	S	*	*			trans	-118.5	82.1	162.4	-66.7	-68.7	0	0	0	109.2	S195	S195-Y197 VanDerWaalsContact C-N 3.31Å; S195-Y197 PolarHBondContact O-N 3.37Å; S195-Y197 WeakPolarHBondContact OG-CD2 2.95Å
198	P	39	Very low	36.3	Very low	103 Å²	103	118.8 Å²	118.8	67%	0.669	65%	0.654	S	S	*	*			trans	-75.2	133.2	160.9	19.1	-6	0	0	0	108.8	P196	P196-P198 VanDerWaalsContact C-CD 3.45Å
199	N	33.9	Very low	36	Very low	153 Å²	153	120 Å²	120	82%	0.818	66%	0.663	S	S	*	*			trans	60.4	78.4	159.5	-55.5	-20.2	0	0	0	116.4
200	Q	32.7	Very low	35.8	Very low	130 Å²	130	116.9 Å²	116.9	61%	0.607	65%	0.654	S	S	*	*			trans	-75.9	125.6	145.9	-80.7	-171.5	-17.8	0	0	108.1	I202	Q200-I202 PolarHBondContact O-N 3.46Å
201	P	31.1	Very low	35.5	Very low	110 Å²	110	121.6 Å²	121.6	71%	0.714	67%	0.667	S	S	*	*			trans	-60.6	129.7	178.6	22.1	-29.5	0	0	0	109.4	V203	P201-V203 VanDerWaalsContact C-N 3.33Å; P201-V203 PolarHBondContact O-N 2.97Å
202	I	35.2	Very low	35.2	Very low	144 Å²	144	122.5 Å²	122.5	74%	0.738	68%	0.681	S	S	*	*			trans	-60.1	99.2	170	-60.3	166.4	0	0	0	106.3	Q200 S204	Q200-I202 PolarHBondContact O-N 3.46Å; I202-S204 PolarHBondContact O-N 3.25Å
203	V	32.1	Very low	35	Very low	115 Å²	115	122.1 Å²	122.1	70%	0.697	70%	0.699	S	S	*	*			trans	-75.2	86.8	166.8	-177.2	0	0	0	0	106.1	P201 P205	P201-V203 VanDerWaalsContact C-N 3.33Å; P201-V203 PolarHBondContact O-N 2.97Å; V203-P205 VanDerWaalsContact O-CD 3.29Å; V203-P205 WeakPolarHBondContact O-CD 3.18Å
204	S	32.7	Very low	35.2	Very low	81 Å²	81	127.4 Å²	127.4	57%	0.566	72%	0.715	S	S	*	*			trans	-58.9	116.9	162.8	-64.6	0	0	0	0	107.2	I202 N206	I202-S204 PolarHBondContact O-N 3.25Å; S204-N206 PolarHBondContact O-N 3.09Å; S204-N206 VanDerWaalsContact O-N 3.1Å
205	P	38.1	Very low	35.6	Very low	59 Å²	59	131.1 Å²	131.1	38%	0.383	72%	0.72	S	S	.	*			trans	-63.7	120.3	173.5	-13	27.3	0	0	0	107.1	Y78 V203 T207	Y78-P205 HydrophobicContact CE1-CG 4.1Å; V203-P205 VanDerWaalsContact O-CD 3.29Å; V203-P205 WeakPolarHBondContact O-CD 3.18Å; P205-T207 PolarHBondContact O-N 3.03Å; P205-T207 VanDerWaalsContact O-N 3.12Å
206	N	36.1	Very low	35.4	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	74%	0.743	S	S	*	*			trans	-43.9	122.2	170.1	-75.1	-22	0	0	0	108.9	S204 D208	S204-N206 PolarHBondContact O-N 3.09Å; S204-N206 VanDerWaalsContact O-N 3.1Å; N206-D208 PolarHBondContact O-N 2.9Å
207	T	38.1	Very low	36	Very low	131 Å²	131	135.4 Å²	135.4	80%	0.804	75%	0.75	S	S	*	*			trans	-67.3	80.4	159.8	50.8	0	0	0	0	106.8	P205 S209	P205-T207 PolarHBondContact O-N 3.03Å; P205-T207 VanDerWaalsContact O-N 3.12Å; T207-S209 PolarHBondContact O-N 3.45Å
208	D	34.8	Very low	37.1	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	78%	0.779	S	S	*	*			trans	-73.8	73.4	167.4	-93	-15.7	0	0	0	108.4	N206 S210	N206-D208 PolarHBondContact O-N 2.9Å; D208-S210 PolarHBondContact O-N 3.17Å; D208-S210 VanDerWaalsContact O-N 3.11Å
209	S	36	Very low	37	Very low	93 Å²	93	137.4 Å²	137.4	65%	0.65	79%	0.785	S	S	*	*			trans	-75.1	83.4	154.6	57	0	0	0	0	108.2	T207 K211	T207-S209 PolarHBondContact O-N 3.45Å; S209-K211 PolarHBondContact O-N 3.31Å
210	S	33.3	Very low	37.2	Very low	108 Å²	108	136.6 Å²	136.6	76%	0.755	78%	0.783	S	S	*	*			trans	36.7	78.7	135.3	56.8	0	0	0	0	117.8	D208	D208-S210 PolarHBondContact O-N 3.17Å; D208-S210 VanDerWaalsContact O-N 3.11Å
211	K	35.7	Very low	37.4	Very low	201 Å²	201	136.9 Å²	136.9	87%	0.874	79%	0.793	S	S	*	*			trans	-142.3	124.4	154.2	-73.3	-164.7	178.8	173.5	0	114.6	S209	S209-K211 PolarHBondContact O-N 3.31Å
212	S	35	Very low	37.8	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	80%	0.797	S	S	*	*			trans	62.8	93.9	156.2	71.9	0	0	0	0	119.7
213	G	37.7	Very low	38	Very low	78 Å²	78	138.2 Å²	138.2	80%	0.804	80%	0.801	S	S	*	*				66.3	98.9	103.7	0	0	0	0	0	117.4
214	R	40.4	Very low	38.4	Very low	253 Å²	253	139.7 Å²	139.7	96%	0.955	81%	0.808	S	S	*	*			trans	-131.7	127.5	152.5	-76.6	-174.7	178.2	164.1	0	110
215	R	41.3	Very low	38.8	Very low	243 Å²	243	143.9 Å²	143.9	92%	0.917	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-65.7	137.4	-169.1	-71.8	164.7	168.4	171.3	-5.3	111.7
216	C	33.3	Very low	38.8	Very low	130 Å²	130	150.5 Å²	150.5	88%	0.878	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-70.6	127.7	158	-60.7	0	0	0	0	108.3
217	C	48	Very low	39.1	Very low	124 Å²	124	151.6 Å²	151.6	84%	0.838	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-88.4	131.2	170.1	-67	0	0	0	0	109.1
218	S	55.2	Low	39.2	Very low	193 Å²	193	153.5 Å²	153.5	100%	1.35	88%	0.876	S	S	*	*			trans	-56	0	166.6	-28.6	0	0	0	0	113.1

Retrieved 218 of 218 residues in 55.2 ms (Link to these results)

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