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Ras-related protein Rab-25

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 G4LZE2, 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 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	39.2	Very low	48.6	Very low	244 Å²	244	135.1 Å²	135.1	100%	1.202	77%	0.77	S	S	*	*				0	117.2	0	-74.6	-168.2	-118.3	0	0	107.2	G3	M1-G3 PolarHBondContact O-N 2.79Å
2	Y	39.8	Very low	51.8	Low	247 Å²	247	137.4 Å²	137.4	97%	0.969	77%	0.769	S	S	*	*			trans	-73	108.4	177.7	-73.3	-85.7	0	0	0	108.7	G4	Y2-G4 PolarHBondContact O-N 3Å
3	G	37.6	Very low	55	Low	78 Å²	78	132.8 Å²	132.8	80%	0.804	73%	0.734	S	S	*	*			trans	-77.5	96.1	168.5	0	0	0	0	0	108.5	M1 S5	M1-G3 PolarHBondContact O-N 2.79Å; G3-S5 PolarHBondContact O-N 3.23Å
4	G	40.4	Very low	57.9	Low	70 Å²	70	128.6 Å²	128.6	72%	0.722	71%	0.709	S	S	*	*			trans	-68	109.1	166.5	0	0	0	0	0	108.4	Y2 M6	Y2-G4 PolarHBondContact O-N 3Å; G4-M6 PolarHBondContact O-N 2.71Å
5	S	48.8	Very low	60.4	Low	113 Å²	113	123.2 Å²	123.2	79%	0.79	68%	0.675	S	S	*	*			trans	-61.2	107.2	166.2	48.4	0	0	0	0	107.9	G3 S7	G3-S5 PolarHBondContact O-N 3.23Å; S5-S7 PolarHBondContact O-N 3.03Å
6	M	42.9	Very low	62.6	Low	189 Å²	189	117.2 Å²	117.2	93%	0.931	64%	0.641	S	S	*	*			trans	-66.3	86.6	165.7	-67	174	78.8	0	0	107.1	G4 G8	G4-M6 PolarHBondContact O-N 2.71Å; M6-G8 PolarHBondContact O-N 3.38Å
7	S	49.9	Very low	64.6	Low	90 Å²	90	110.5 Å²	110.5	63%	0.629	60%	0.604	S	S	*	*			trans	-60.8	109.2	160.4	53.6	0	0	0	0	105.5	S5	S5-S7 PolarHBondContact O-N 3.03Å
8	G	53.8	Low	66.3	Low	38 Å²	38	106.2 Å²	106.2	39%	0.392	58%	0.579	S	S	.	*			trans	-56.9	150.8	-179.8	0	0	0	0	0	109.5	M6 D10 D11	M6-G8 PolarHBondContact O-N 3.38Å; G8-D10 PolarHBondContact O-N 3.18Å; G8-D11 PolarHBondContact O-N 2.84Å
9	K	53.3	Low	67.9	Low	197 Å²	197	100.7 Å²	100.7	86%	0.857	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-50.8	-22.1	175	-81.7	-177.1	170.1	-176.8	0	113.4	D11 E12	K9-D11 PolarHBondContact O-N 3.02Å; K9-E12 PolarHBondContact O-N 2.94Å
10	D	59.1	Low	69.3	Low	124 Å²	124	95.7 Å²	95.7	66%	0.663	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-67.3	-12	175	-69	-28.7	0	0	0	114.9	G8 K66	G8-D10 PolarHBondContact O-N 3.18Å; D10-K66 PolarHBondContact O-NZ 2.78Å
11	D	69.8	Low	70.6	Confident	96 Å²	96	91.1 Å²	91.1	51%	0.513	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-89.3	-18.9	176.1	-72.3	-31.5	0	0	0	113.5	G8 K9 Y13 K66	G8-D11 PolarHBondContact O-N 2.84Å; K9-D11 PolarHBondContact O-N 3.02Å; D11-Y13 VanDerWaalsContact O-CD1 3.29Å; D11-Y13 WeakPolarHBondContact O-CD1 3.47Å; D11-K66 IonicContact OD1-NZ 3.02Å
12	E	87	Confident	73.3	Confident	163 Å²	163	79.5 Å²	79.5	76%	0.762	44%	0.439	S	S	*	.			trans	-88.1	121.9	177.4	-163.2	168.6	-164.4	0	0	110.1	K9	K9-E12 PolarHBondContact O-N 2.94Å
13	Y	93.2	Very high	76	Confident	78 Å²	78	67.7 Å²	67.7	31%	0.306	39%	0.393	S	S	.	.			trans	-143.7	148.4	178.1	58.3	-94.6	0	0	0	110	D11 Y15 L16 K66	D11-Y13 VanDerWaalsContact O-CD1 3.29Å; D11-Y13 WeakPolarHBondContact O-CD1 3.47Å; Y13-Y15 VanDerWaalsContact CD2-C 3.48Å; Y13-Y15 WeakPolarHBondContact CD2-O 3.4Å; Y13-L16 HydrophobicContact CD2-CB 4.21Å; Y13-L16 HydrophobicContact CE2-CB 3.59Å; Y13-L16 HydrophobicContact CE2-CD1 4.39Å; Y13-L16 HydrophobicContact CE2-CG 4.44Å; Y13-K66 HydrophobicContact CD1-CB 3.94Å; Y13-K66 HydrophobicContact CD1-CD 3.44Å; Y13-K66 VanDerWaalsContact CD1-CD 3.44Å; Y13-K66 HydrophobicContact CD1-CG 4.34Å; Y13-K66 HydrophobicContact CD2-CB 4.31Å; Y13-K66 HydrophobicContact CE1-CD 3.76Å; Y13-K66 HydrophobicContact CG-CB 3.76Å; Y13-K66 HydrophobicContact CG-CD 4.16Å
14	D	95.4	Very high	78.7	Confident	73 Å²	73	65.1 Å²	65.1	39%	0.39	36%	0.361	S	S	.	.	S	Bend	trans	-78.9	-36.6	173.9	-63.9	-88.9	0	0	0	111.1	R63 T64	D14-R63 HydrophobicContact CB-CB 4.24Å; D14-R63 IonicContact OD1-CZ 3.93Å; D14-R63 IonicContact OD1-NH1 3.7Å; D14-R63 PolarHBondContact OD1-NH1 2.94Å; D14-R63 WeakPolarHBondContact OD2-CA 3.21Å; D14-T64 PolarHBondContact N-O 3.24Å; D14-T64 PolarHBondContact OD2-N 3.4Å
15	Y	96.1	Very high	81.2	Confident	48 Å²	48	63.3 Å²	63.3	19%	0.188	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.5	-174.5	-63.3	-92.4	0	0	0	112	Y13 F17 R63 T64 I65 K66 F178 V181 M192	Y13-Y15 VanDerWaalsContact CD2-C 3.48Å; Y13-Y15 WeakPolarHBondContact CD2-O 3.4Å; Y15-F17 HydrophobicContact CD1-CE1 4.01Å; Y15-F17 AromaticContact CD1-CZ 3.96Å; Y15-F17 HydrophobicContact CD1-CZ 3.96Å; Y15-F17 HydrophobicContact CG-CE1 4.31Å; Y15-F17 HydrophobicContact CG-CZ 4.1Å; Y15-R63 HydrophobicContact CD2-CB 4.19Å; Y15-R63 HydrophobicContact CE2-CB 4.11Å; Y15-R63 HydrophobicContact CE2-CG 4.05Å; Y15-T64 PolarHBondContact N-O 2.94Å; Y15-I65 HydrophobicContact CD2-CG1 4.47Å; Y15-I65 WeakPolarHBondContact O-CA 3.32Å; Y15-K66 PolarHBondContact O-N 3.49Å; Y15-F178 HydrophobicContact CD2-CD2 4.12Å; Y15-F178 AromaticContact CD2-CE2 3.94Å; Y15-F178 HydrophobicContact CD2-CE2 3.94Å; Y15-F178 HydrophobicContact CE1-CD2 4.45Å; Y15-F178 HydrophobicContact CE1-CE2 4.36Å; Y15-F178 HydrophobicContact CE2-CD2 4.07Å; Y15-F178 AromaticContact CE2-CE2 3.49Å; Y15-F178 HydrophobicContact CE2-CE2 3.49Å; Y15-F178 VanDerWaalsContact CE2-CE2 3.49Å; Y15-F178 HydrophobicContact CG-CD2 4.41Å; Y15-F178 AromaticContact CZ-CE2 3.72Å; Y15-V181 HydrophobicContact CD1-CG1 4.35Å; Y15-V181 HydrophobicContact CE1-CG1 4.02Å; Y15-M192 HydrophobicContact CD1-CE 3.53Å; Y15-M192 HydrophobicContact CE1-CE 3.9Å
16	L	95.6	Very high	83.3	Confident	27 Å²	27	59.9 Å²	59.9	14%	0.141	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.4	172.5	-174.8	66.9	0	0	0	109.3	Y13 K66 Q68	Y13-L16 HydrophobicContact CD2-CB 4.21Å; Y13-L16 HydrophobicContact CE2-CB 3.59Å; Y13-L16 HydrophobicContact CE2-CD1 4.39Å; Y13-L16 HydrophobicContact CE2-CG 4.44Å; L16-K66 WeakPolarHBondContact CA-O 3.5Å; L16-K66 HydrophobicContact CD1-CB 3.98Å; L16-K66 HydrophobicContact CD1-CD 4.46Å; L16-K66 HydrophobicContact CD1-CG 4.12Å; L16-K66 WeakPolarHBondContact CD1-O 3.25Å; L16-Q68 HydrophobicContact CD1-CG 3.79Å
17	F	96.4	Very high	85.9	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.8	179.4	-64.8	-21.5	0	0	0	111.5	Y15 I65 K66 A67 Q68 V90 L174 I177 F178 V181 M192	Y15-F17 HydrophobicContact CD1-CE1 4.01Å; Y15-F17 AromaticContact CD1-CZ 3.96Å; Y15-F17 HydrophobicContact CD1-CZ 3.96Å; Y15-F17 HydrophobicContact CG-CE1 4.31Å; Y15-F17 HydrophobicContact CG-CZ 4.1Å; F17-I65 HydrophobicContact CB-CG2 4.4Å; F17-I65 HydrophobicContact CD2-CD1 4.49Å; F17-I65 HydrophobicContact CD2-CG2 3.4Å; F17-I65 VanDerWaalsContact CD2-CG2 3.4Å; F17-I65 HydrophobicContact CE2-CD1 3.92Å; F17-I65 HydrophobicContact CE2-CG1 4.35Å; F17-I65 HydrophobicContact CE2-CG2 3.78Å; F17-I65 HydrophobicContact CG-CG2 4.01Å; F17-K66 PolarHBondContact N-O 3.47Å; F17-A67 CarbonylContact O-C 3.51Å; F17-A67 WeakPolarHBondContact O-CA 3.5Å; F17-Q68 PolarHBondContact O-N 2.85Å; F17-V90 HydrophobicContact CB-CG2 3.93Å; F17-V90 HydrophobicContact CD1-CG2 4.21Å; F17-V90 HydrophobicContact CG-CG2 4.25Å; F17-L174 HydrophobicContact CB-CD2 4.15Å; F17-L174 HydrophobicContact CD2-CD2 4.1Å; F17-I177 HydrophobicContact CD1-CG2 3.89Å; F17-I177 HydrophobicContact CD2-CB 4.05Å; F17-I177 HydrophobicContact CD2-CG2 3.64Å; F17-I177 HydrophobicContact CE1-CG2 3.91Å; F17-I177 HydrophobicContact CE2-CB 4.02Å; F17-I177 HydrophobicContact CE2-CG2 3.63Å; F17-I177 HydrophobicContact CG-CG2 3.8Å; F17-I177 HydrophobicContact CZ-CG2 3.8Å; F17-F178 HydrophobicContact CE2-CB 3.88Å; F17-F178 HydrophobicContact CZ-CB 4.21Å; F17-F178 HydrophobicContact CZ-CD2 4.5Å; F17-V181 HydrophobicContact CE1-CG2 4.23Å; F17-V181 HydrophobicContact CZ-CG2 4.41Å; F17-M192 HydrophobicContact CE1-CE 4.49Å
18	K	95.3	Very high	88.1	Confident	34 Å²	34	47.1 Å²	47.1	15%	0.148	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	119.9	173	-178.7	174.2	173.8	-175.6	0	110.3	Q68 Y85 R87 A89 V90 G91	K18-Q68 CarbonylContact C-O 3.59Å; K18-Q68 WeakPolarHBondContact CA-O 3.44Å; K18-Y85 WeakPolarHBondContact CE-O 3.4Å; K18-Y85 PolarHBondContact NZ-O 2.84Å; K18-R87 PolarHBondContact NZ-O 2.82Å; K18-A89 HydrophobicContact CG-CB 4.3Å; K18-A89 WeakPolarHBondContact O-CA 3.09Å; K18-V90 WeakPolarHBondContact O-CG2 3.38Å; K18-V90 PolarHBondContact O-N 3.36Å; K18-G91 PolarHBondContact O-N 3.5Å
19	V	97	Very high	90.1	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.5	176.6	-179	0	0	0	0	109.3	Q68 I69 W70 G91 L174 I177	V19-Q68 PolarHBondContact N-O 3.49Å; V19-I69 HydrophobicContact CB-CG1 4.45Å; V19-I69 VanDerWaalsContact O-CA 3.32Å; V19-I69 WeakPolarHBondContact O-CA 3.41Å; V19-W70 PolarHBondContact O-N 2.9Å; V19-G91 VanDerWaalsContact CA-O 3.3Å; V19-G91 WeakPolarHBondContact CA-O 3.48Å; V19-L174 HydrophobicContact CG2-CD2 4.07Å; V19-I177 HydrophobicContact CG2-CD1 4.2Å
20	V	95.9	Very high	92.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142	176	-64.9	0	0	0	0	110.9	I22 W70 Y86 A89 G91 A92 L93 L114	V20-I22 HydrophobicContact CB-CG2 4.46Å; V20-I22 HydrophobicContact CG2-CG2 4.22Å; V20-W70 HydrophobicContact CG1-CB 4.22Å; V20-Y86 HydrophobicContact CG1-CD1 4.45Å; V20-Y86 HydrophobicContact CG2-CD1 4.26Å; V20-A89 HydrophobicContact CG1-CB 3.84Å; V20-A89 HydrophobicContact CG2-CB 4.17Å; V20-G91 PolarHBondContact N-O 2.99Å; V20-A92 HydrophobicContact CG2-CB 3.7Å; V20-A92 CarbonylContact O-C 3.52Å; V20-A92 VanDerWaalsContact O-CA 3.29Å; V20-A92 WeakPolarHBondContact O-CA 3.38Å; V20-L93 PolarHBondContact O-N 3.25Å; V20-L114 HydrophobicContact CG2-CD1 4.12Å
21	L	97	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.5	169.7	-47.4	-176.6	0	0	0	108.3	K29 L33 I69 W70 D71 T72 L93 F170	L21-K29 HydrophobicContact CB-CB 4.12Å; L21-K29 HydrophobicContact CB-CD 4.18Å; L21-K29 HydrophobicContact CB-CG 4.42Å; L21-K29 HydrophobicContact CD1-CB 4.37Å; L21-K29 WeakPolarHBondContact CD1-O 3.31Å; L21-L33 HydrophobicContact CD1-CB 3.89Å; L21-I69 HydrophobicContact CD1-CG2 4.12Å; L21-I69 HydrophobicContact CD2-CG2 3.98Å; L21-I69 HydrophobicContact CG-CG2 3.86Å; L21-W70 PolarHBondContact N-O 3.47Å; L21-D71 HydrophobicContact CD1-CB 4.25Å; L21-T72 WeakPolarHBondContact O-CB 3.22Å; L21-T72 PolarHBondContact O-N 2.99Å; L21-T72 PolarHBondContact O-OG1 3.03Å; L21-L93 HydrophobicContact CD2-CB 3.69Å; L21-L93 HydrophobicContact CD2-CD1 3.69Å; L21-L93 HydrophobicContact CD2-CG 3.88Å; L21-F170 HydrophobicContact CD1-CZ 4.41Å; L21-F170 HydrophobicContact CD2-CE1 3.98Å; L21-F170 HydrophobicContact CD2-CZ 4.01Å
22	I	95.3	Very high	95.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	160.8	-177.8	63.8	168.6	0	0	0	111.5	V20 K29 Y86 L93 L94 V95 W110 L114	V20-I22 HydrophobicContact CB-CG2 4.46Å; V20-I22 HydrophobicContact CG2-CG2 4.22Å; I22-K29 VanDerWaalsContact C-CD 3.5Å; I22-Y86 HydrophobicContact CG2-CD1 4.4Å; I22-Y86 HydrophobicContact CG2-CE1 3.42Å; I22-Y86 VanDerWaalsContact CG2-CE1 3.42Å; I22-L93 PolarHBondContact N-O 3.2Å; I22-L94 HydrophobicContact CD1-CB 4.45Å; I22-L94 HydrophobicContact CD1-CD1 3.77Å; I22-L94 HydrophobicContact CG1-CB 4.21Å; I22-L94 HydrophobicContact CG1-CD1 3.71Å; I22-V95 PolarHBondContact O-N 3.21Å; I22-W110 HydrophobicContact CB-CE3 4.28Å; I22-W110 HydrophobicContact CD1-CB 4.43Å; I22-L114 HydrophobicContact CD1-CB 3.88Å; I22-L114 HydrophobicContact CD1-CD1 4.31Å; I22-L114 HydrophobicContact CD1-CD2 3.76Å; I22-L114 HydrophobicContact CD1-CG 4.2Å
23	G	95.6	Very high	95.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	130.5	173.6	-175.3	0	0	0	0	0	112.2	K29 G74 W110	G23-K29 PolarHBondContact O-NZ 3.34Å; G23-G74 WeakPolarHBondContact O-CA 3.33Å; G23-W110 VanDerWaalsContact C-CE2 3.45Å; G23-W110 WeakPolarHBondContact O-CZ2 3.43Å
24	D	94.8	Very high	95.9	Very high	23 Å²	23	16.5 Å²	16.5	12%	0.123	10%	0.1	C	C	.	.	S	Bend	trans	-58.8	161.9	-173.7	-77.3	0.4	0	0	0	114.1	V27 K29 T103 N106 W110	D24-V27 HydrophobicContact CB-CG1 3.83Å; D24-V27 VanDerWaalsContact O-CG2 3.26Å; D24-V27 WeakPolarHBondContact O-CG2 3.35Å; D24-K29 PolarHBondContact O-NZ 3.49Å; D24-T103 HydrophobicContact CB-CG2 4.03Å; D24-T103 WeakPolarHBondContact OD2-CA 3.17Å; D24-N106 PolarHBondContact OD2-ND2 2.98Å; D24-W110 PolarHBondContact OD1-NE1 3.29Å
25	S	93	Very high	96	Very high	32 Å²	32	15 Å²	15	22%	0.224	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	136.6	170.4	177.2	0	0	0	0	111	V27 S47 G74 Q75	S25-V27 VanDerWaalsContact C-N 3.31Å; S25-V27 PolarHBondContact O-N 3.23Å; S25-S47 PolarHBondContact OG-OG 2.85Å; S25-G74 PolarHBondContact N-O 2.77Å; S25-Q75 PolarHBondContact OG-NE2 3Å
26	G	93.4	Very high	96.1	Very high	42 Å²	42	13.5 Å²	13.5	43%	0.433	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	4.7	174.2	0	0	0	0	0	115.8	G28 K130	G26-G28 PolarHBondContact O-N 3.34Å; G26-K130 WeakPolarHBondContact O-CE 3.41Å; G26-K130 PolarHBondContact O-NZ 2.98Å
27	V	96.4	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-70.8	-18.1	172.4	-56.8	0	0	0	0	113	D24 S25 K29 V95 D97 T103 N129 K130	D24-V27 HydrophobicContact CB-CG1 3.83Å; D24-V27 VanDerWaalsContact O-CG2 3.26Å; D24-V27 WeakPolarHBondContact O-CG2 3.35Å; S25-V27 VanDerWaalsContact C-N 3.31Å; S25-V27 PolarHBondContact O-N 3.23Å; V27-K29 HydrophobicContact CG2-CD 4.32Å; V27-K29 HydrophobicContact CG2-CG 3.62Å; V27-V95 HydrophobicContact CB-CG1 4.31Å; V27-V95 HydrophobicContact CG2-CB 3.93Å; V27-V95 HydrophobicContact CG2-CG1 3.82Å; V27-D97 HydrophobicContact CB-CB 4.33Å; V27-D97 HydrophobicContact CG1-CB 4.23Å; V27-T103 HydrophobicContact CG1-CG2 3.77Å; V27-N129 PolarHBondContact O-ND2 2.99Å; V27-K130 WeakPolarHBondContact O-CE 3.35Å
28	G	96.9	Very high	96	Very high	11 Å²	11	18.1 Å²	18.1	11%	0.113	10%	0.101	C	C	.	.	S	Bend	trans	105.2	21.6	173.6	0	0	0	0	0	115.6	G26 S30 N31 L32	G26-G28 PolarHBondContact O-N 3.34Å; G28-S30 PolarHBondContact O-N 2.98Å; G28-N31 PolarHBondContact O-N 3.09Å; G28-L32 WeakPolarHBondContact O-CG 3.44Å; G28-L32 PolarHBondContact O-N 3.21Å
29	K	96.3	Very high	96.1	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.039	12%	0.122	C	C	.	.	H	α-helix	trans	-52.9	-50.5	177	-56.1	-171.9	-60.4	-77.2	0	113.2	L21 I22 G23 D24 V27 N31 L32 L33 D71 T72 V95	L21-K29 HydrophobicContact CB-CB 4.12Å; L21-K29 HydrophobicContact CB-CD 4.18Å; L21-K29 HydrophobicContact CB-CG 4.42Å; L21-K29 HydrophobicContact CD1-CB 4.37Å; L21-K29 WeakPolarHBondContact CD1-O 3.31Å; I22-K29 VanDerWaalsContact C-CD 3.5Å; G23-K29 PolarHBondContact O-NZ 3.34Å; D24-K29 PolarHBondContact O-NZ 3.49Å; V27-K29 HydrophobicContact CG2-CD 4.32Å; V27-K29 HydrophobicContact CG2-CG 3.62Å; K29-N31 VanDerWaalsContact C-N 3.32Å; K29-N31 PolarHBondContact O-N 3.47Å; K29-L32 WeakPolarHBondContact O-CB 3.4Å; K29-L32 PolarHBondContact O-N 2.88Å; K29-L32 VanDerWaalsContact O-N 3.12Å; K29-L33 PolarHBondContact O-N 2.81Å; K29-D71 WeakPolarHBondContact CB-OD1 3.35Å; K29-T72 WeakPolarHBondContact CE-O 3.15Å; K29-V95 HydrophobicContact CG-CB 4.07Å; K29-V95 HydrophobicContact CG-CG2 4.13Å
30	S	95.7	Very high	96	Very high	22 Å²	22	26.6 Å²	26.6	15%	0.154	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-39.4	178	-35.6	0	0	0	0	112.3	G28 L33 S34 T48 D71	G28-S30 PolarHBondContact O-N 2.98Å; S30-L33 WeakPolarHBondContact O-CB 3.43Å; S30-L33 PolarHBondContact O-N 3.36Å; S30-S34 WeakPolarHBondContact O-CB 3.44Å; S30-S34 PolarHBondContact O-N 3.28Å; S30-S34 PolarHBondContact O-OG 3.38Å; S30-T48 PolarHBondContact OG-OG1 3.43Å; S30-D71 WeakPolarHBondContact CA-OD2 3.3Å; S30-D71 VanDerWaalsContact CB-OD2 3.24Å; S30-D71 WeakPolarHBondContact CB-OD2 3.36Å; S30-D71 PolarHBondContact OG-OD2 2.97Å
31	N	97	Very high	95.9	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.059	16%	0.158	C	C	.	.	H	α-helix	trans	-68.7	-33.8	176.1	-86.2	-41.9	0	0	0	112.3	G28 K29 S34 R35 F41 N42 S45 A160	G28-N31 PolarHBondContact O-N 3.09Å; K29-N31 VanDerWaalsContact C-N 3.32Å; K29-N31 PolarHBondContact O-N 3.47Å; N31-S34 WeakPolarHBondContact CA-OG 3.17Å; N31-S34 PolarHBondContact O-OG 3.3Å; N31-R35 WeakPolarHBondContact O-CB 3.37Å; N31-R35 PolarHBondContact O-N 3.42Å; N31-F41 HydrophobicContact CB-CD2 3.85Å; N31-F41 HydrophobicContact CB-CE2 3.95Å; N31-N42 PolarHBondContact ND2-O 2.96Å; N31-N42 PolarHBondContact OD1-N 2.88Å; N31-N42 PolarHBondContact OD1-O 2.9Å; N31-S45 PolarHBondContact ND2-OG 3.22Å; N31-A160 HydrophobicContact CB-CB 3.81Å
32	L	98.3	Very high	95.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-43.8	171.3	-72.9	169.8	0	0	0	110.9	G28 K29 R35 F36 V95 V127 N129 T158 A160 V166 F170	G28-L32 WeakPolarHBondContact O-CG 3.44Å; G28-L32 PolarHBondContact O-N 3.21Å; K29-L32 WeakPolarHBondContact O-CB 3.4Å; K29-L32 PolarHBondContact O-N 2.88Å; K29-L32 VanDerWaalsContact O-N 3.12Å; L32-R35 PolarHBondContact O-N 3.27Å; L32-F36 WeakPolarHBondContact O-CB 3.31Å; L32-F36 PolarHBondContact O-N 3.39Å; L32-V95 HydrophobicContact CD1-CG1 3.81Å; L32-V95 HydrophobicContact CD1-CG2 4.15Å; L32-V127 HydrophobicContact CD1-CG1 4.25Å; L32-N129 HydrophobicContact CD1-CB 4.3Å; L32-T158 WeakPolarHBondContact CD2-OG1 3.42Å; L32-A160 HydrophobicContact CD2-CB 4Å; L32-A160 HydrophobicContact CG-CB 4.3Å; L32-V166 HydrophobicContact CD2-CG1 4.35Å; L32-V166 HydrophobicContact CD2-CG2 3.82Å; L32-F170 HydrophobicContact CB-CE2 4.34Å
33	L	97.4	Very high	95.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-52	176.4	-178.2	60	0	0	0	111.6	L21 K29 S30 R35 F36 T37 E52 A54 I69 D71	L21-L33 HydrophobicContact CD1-CB 3.89Å; K29-L33 PolarHBondContact O-N 2.81Å; S30-L33 WeakPolarHBondContact O-CB 3.43Å; S30-L33 PolarHBondContact O-N 3.36Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.42Å; L33-F36 PolarHBondContact O-N 2.92Å; L33-T37 HydrophobicContact CD1-CG2 3.85Å; L33-T37 WeakPolarHBondContact O-CB 3.06Å; L33-T37 WeakPolarHBondContact O-CG2 3.4Å; L33-T37 PolarHBondContact O-N 2.91Å; L33-T37 PolarHBondContact O-OG1 3.36Å; L33-E52 HydrophobicContact CD2-CB 4.38Å; L33-E52 HydrophobicContact CD2-CG 4.03Å; L33-A54 HydrophobicContact CD1-CB 3.96Å; L33-A54 HydrophobicContact CD2-CB 4.22Å; L33-A54 HydrophobicContact CG-CB 4.22Å; L33-I69 HydrophobicContact CD1-CB 3.64Å; L33-I69 HydrophobicContact CD1-CD1 4.2Å; L33-I69 HydrophobicContact CD1-CG2 3.5Å; L33-I69 VanDerWaalsContact CD1-CG2 3.5Å; L33-D71 HydrophobicContact CD2-CB 3.65Å
34	S	95.9	Very high	94.6	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.063	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-38.6	-179.6	66.5	0	0	0	0	111.6	S30 N31 R38 N39 E40	S30-S34 WeakPolarHBondContact O-CB 3.44Å; S30-S34 PolarHBondContact O-N 3.28Å; S30-S34 PolarHBondContact O-OG 3.38Å; N31-S34 WeakPolarHBondContact CA-OG 3.17Å; N31-S34 PolarHBondContact O-OG 3.3Å; S34-R38 CarbonylContact O-C 3.58Å; S34-R38 WeakPolarHBondContact O-CA 3.23Å; S34-R38 WeakPolarHBondContact O-CB 3.06Å; S34-R38 PolarHBondContact O-N 2.8Å; S34-N39 PolarHBondContact O-N 3.49Å; S34-N39 VanDerWaalsContact O-N 3.09Å; S34-E40 CarbonylContact C-O 3.38Å; S34-E40 VanDerWaalsContact C-O 3.29Å; S34-E40 WeakPolarHBondContact CB-O 3.46Å; S34-E40 PolarHBondContact O-N 3.09Å; S34-E40 PolarHBondContact OG-O 3.38Å
35	R	97.5	Very high	93.9	Very high	41 Å²	41	49.8 Å²	49.8	16%	0.155	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-46.7	176.8	179.6	59.7	70.3	-168.9	7.3	111	N31 L32 L33 N39 E40 A160 L161 V166	N31-R35 WeakPolarHBondContact O-CB 3.37Å; N31-R35 PolarHBondContact O-N 3.42Å; L32-R35 PolarHBondContact O-N 3.27Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-R35 PolarHBondContact O-N 3.42Å; R35-N39 WeakPolarHBondContact CD-OD1 3.39Å; R35-N39 PolarHBondContact NH1-O 2.99Å; R35-N39 PolarHBondContact NH1-OD1 3.18Å; R35-N39 WeakPolarHBondContact O-CA 3.39Å; R35-N39 PolarHBondContact O-N 3.45Å; R35-E40 WeakPolarHBondContact CA-O 3.44Å; R35-E40 PolarHBondContact N-O 2.94Å; R35-A160 PolarHBondContact NE-O 3.46Å; R35-A160 PolarHBondContact NH2-O 3.05Å; R35-L161 PolarHBondContact NH2-O 3.09Å; R35-L161 VanDerWaalsContact NH2-O 3.12Å; R35-V166 HydrophobicContact CB-CG1 4.24Å; R35-V166 HydrophobicContact CG-CB 4.24Å; R35-V166 HydrophobicContact CG-CG1 3.97Å; R35-V166 HydrophobicContact CG-CG2 4.06Å
36	F	98	Very high	93.3	Very high	16 Å²	16	57.2 Å²	57.2	7%	0.07	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-41.8	180	177.8	-116.1	0	0	0	113	L32 L33 K56 V58 I69 V166 F170	L32-F36 WeakPolarHBondContact O-CB 3.31Å; L32-F36 PolarHBondContact O-N 3.39Å; L33-F36 PolarHBondContact O-N 2.92Å; F36-K56 HydrophobicContact CD1-CB 4.47Å; F36-K56 HydrophobicContact CD1-CG 4.5Å; F36-K56 HydrophobicContact CE1-CB 3.79Å; F36-K56 HydrophobicContact CE1-CG 3.77Å; F36-K56 HydrophobicContact CZ-CB 4.39Å; F36-K56 HydrophobicContact CZ-CG 3.92Å; F36-V58 HydrophobicContact CZ-CG1 4.11Å; F36-I69 HydrophobicContact CD1-CD1 3.56Å; F36-I69 HydrophobicContact CE1-CD1 3.56Å; F36-V166 HydrophobicContact CB-CG1 3.95Å; F36-F170 HydrophobicContact CB-CD2 3.6Å; F36-F170 HydrophobicContact CB-CE2 3.62Å; F36-F170 HydrophobicContact CB-CG 4.23Å; F36-F170 HydrophobicContact CB-CZ 4.26Å; F36-F170 HydrophobicContact CD1-CB 4.09Å; F36-F170 AromaticContact CD1-CD1 3.81Å; F36-F170 HydrophobicContact CD1-CD1 3.81Å; F36-F170 AromaticContact CD1-CD2 3.96Å; F36-F170 HydrophobicContact CD1-CD2 3.96Å; F36-F170 HydrophobicContact CD1-CE1 4.2Å; F36-F170 HydrophobicContact CD1-CE2 4.34Å; F36-F170 AromaticContact CD1-CG 3.69Å; F36-F170 HydrophobicContact CD1-CG 3.69Å; F36-F170 HydrophobicContact CD1-CZ 4.45Å; F36-F170 HydrophobicContact CD2-CB 3.66Å; F36-F170 AromaticContact CD2-CD2 3.75Å; F36-F170 HydrophobicContact CD2-CD2 3.75Å; F36-F170 AromaticContact CD2-CG 3.82Å; F36-F170 HydrophobicContact CD2-CG 3.82Å; F36-F170 HydrophobicContact CE1-CB 3.9Å; F36-F170 HydrophobicContact CE1-CD1 4.01Å; F36-F170 AromaticContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE2-CB 3.45Å; F36-F170 VanDerWaalsContact CE2-CB 3.45Å; F36-F170 HydrophobicContact CE2-CD2 4.44Å; F36-F170 HydrophobicContact CE2-CG 4.07Å; F36-F170 HydrophobicContact CG-CB 3.97Å; F36-F170 HydrophobicContact CG-CD1 4.19Å; F36-F170 AromaticContact CG-CD2 3.48Å; F36-F170 HydrophobicContact CG-CD2 3.48Å; F36-F170 VanDerWaalsContact CG-CD2 3.48Å; F36-F170 AromaticContact CG-CE2 3.96Å; F36-F170 HydrophobicContact CG-CE2 3.96Å; F36-F170 AromaticContact CG-CG 3.62Å; F36-F170 HydrophobicContact CG-CG 3.62Å; F36-F170 HydrophobicContact CG-CZ 4.49Å; F36-F170 HydrophobicContact CZ-CB 3.58Å; F36-F170 HydrophobicContact CZ-CG 4.13Å
37	T	96.1	Very high	92.8	Very high	18 Å²	18	58.2 Å²	58.2	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-87.4	-40.1	-171.1	57	0	0	0	0	113	L33 A54 K56 I69	L33-T37 HydrophobicContact CD1-CG2 3.85Å; L33-T37 WeakPolarHBondContact O-CB 3.06Å; L33-T37 WeakPolarHBondContact O-CG2 3.4Å; L33-T37 PolarHBondContact O-N 2.91Å; L33-T37 PolarHBondContact O-OG1 3.36Å; T37-A54 HydrophobicContact CG2-CB 3.87Å; T37-K56 HydrophobicContact CG2-CB 4.3Å; T37-I69 HydrophobicContact CG2-CD1 4.44Å
38	R	94.4	Very high	91.7	Very high	110 Å²	110	59.6 Å²	59.6	42%	0.415	30%	0.301	S	S	.	.	H	α-helix	trans	-121	-3.6	-170.8	-59.3	-175.5	-66.4	-93.1	11.1	114	S34 E40 E52	S34-R38 CarbonylContact O-C 3.58Å; S34-R38 WeakPolarHBondContact O-CA 3.23Å; S34-R38 WeakPolarHBondContact O-CB 3.06Å; S34-R38 PolarHBondContact O-N 2.8Å; R38-E40 HydrophobicContact CB-CB 4.27Å; R38-E40 HydrophobicContact CB-CG 3.88Å; R38-E40 WeakPolarHBondContact CD-OE2 3.49Å; R38-E40 IonicContact CZ-OE2 3.55Å; R38-E40 IonicContact NE-OE2 3.52Å; R38-E40 PolarHBondContact NE-OE2 2.99Å; R38-E40 PolarHBondContact O-N 3.39Å; R38-E52 IonicContact CZ-OE1 3.9Å; R38-E52 IonicContact NH1-OE1 2.7Å; R38-E52 PolarHBondContact NH1-OE1 2.88Å; R38-E52 IonicContact NH2-OE1 2.88Å; R38-E52 PolarHBondContact NH2-OE1 3.47Å
39	N	95.3	Very high	90.5	Very high	111 Å²	111	64.9 Å²	64.9	59%	0.594	33%	0.325	S	S	*	.	S	Bend	trans	55.8	38.8	-170.6	-165.1	23.2	0	0	0	113.1	S34 R35	S34-N39 PolarHBondContact O-N 3.49Å; S34-N39 VanDerWaalsContact O-N 3.09Å; R35-N39 WeakPolarHBondContact CD-OD1 3.39Å; R35-N39 PolarHBondContact NH1-O 2.99Å; R35-N39 PolarHBondContact NH1-OD1 3.18Å; R35-N39 WeakPolarHBondContact O-CA 3.39Å; R35-N39 PolarHBondContact O-N 3.45Å
40	E	95.1	Very high	89.4	Confident	102 Å²	102	65.4 Å²	65.4	48%	0.477	33%	0.333	S	S	.	.			trans	-116.2	146.7	-177.6	-71.6	171.5	172.9	0	0	111.7	S34 R35 R38	S34-E40 CarbonylContact C-O 3.38Å; S34-E40 VanDerWaalsContact C-O 3.29Å; S34-E40 WeakPolarHBondContact CB-O 3.46Å; S34-E40 PolarHBondContact O-N 3.09Å; S34-E40 PolarHBondContact OG-O 3.38Å; R35-E40 WeakPolarHBondContact CA-O 3.44Å; R35-E40 PolarHBondContact N-O 2.94Å; R38-E40 HydrophobicContact CB-CB 4.27Å; R38-E40 HydrophobicContact CB-CG 3.88Å; R38-E40 WeakPolarHBondContact CD-OE2 3.49Å; R38-E40 IonicContact CZ-OE2 3.55Å; R38-E40 IonicContact NE-OE2 3.52Å; R38-E40 PolarHBondContact NE-OE2 2.99Å; R38-E40 PolarHBondContact O-N 3.39Å
41	F	94.4	Very high	88.8	Confident	65 Å²	65	66 Å²	66	29%	0.285	34%	0.336	S	S	.	.			trans	-136.4	136.3	171.2	175.3	-92.6	0	0	0	110.1	N31 L43 A160 L161	N31-F41 HydrophobicContact CB-CD2 3.85Å; N31-F41 HydrophobicContact CB-CE2 3.95Å; F41-L43 HydrophobicContact CE1-CB 3.93Å; F41-L43 HydrophobicContact CE1-CD1 4.03Å; F41-L43 HydrophobicContact CZ-CD1 4.17Å; F41-A160 HydrophobicContact CD2-CB 3.94Å; F41-A160 HydrophobicContact CE2-CB 4.12Å; F41-L161 HydrophobicContact CD1-CD1 3.76Å; F41-L161 HydrophobicContact CD2-CB 4.44Å; F41-L161 HydrophobicContact CE1-CB 4.37Å; F41-L161 HydrophobicContact CE1-CD1 3.61Å; F41-L161 HydrophobicContact CE2-CB 4.08Å; F41-L161 HydrophobicContact CG-CD1 4.41Å; F41-L161 HydrophobicContact CZ-CB 4.04Å; F41-L161 HydrophobicContact CZ-CD1 4.14Å
42	N	91	Very high	88.3	Confident	87 Å²	87	68.3 Å²	68.3	47%	0.465	35%	0.346	S	S	.	.			trans	-122.8	111.5	175.8	-174.6	-2.8	0	0	0	110.2	N31 E44 S45	N31-N42 PolarHBondContact ND2-O 2.96Å; N31-N42 PolarHBondContact OD1-N 2.88Å; N31-N42 PolarHBondContact OD1-O 2.9Å; N42-E44 VanDerWaalsContact C-N 3.25Å; N42-E44 PolarHBondContact O-N 3.18Å; N42-E44 WeakPolarHBondContact OD1-CA 3.34Å; N42-E44 PolarHBondContact OD1-N 2.9Å; N42-S45 WeakPolarHBondContact O-CB 3.29Å; N42-S45 PolarHBondContact O-N 3.09Å
43	L	87.4	Confident	88	Confident	145 Å²	145	72.3 Å²	72.3	76%	0.759	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.1	176.4	-170.6	66.9	0	0	0	112	F41 S45	F41-L43 HydrophobicContact CE1-CB 3.93Å; F41-L43 HydrophobicContact CE1-CD1 4.03Å; F41-L43 HydrophobicContact CZ-CD1 4.17Å; L43-S45 PolarHBondContact O-N 3.01Å
44	E	83.1	Confident	87.9	Confident	162 Å²	162	72.9 Å²	72.9	76%	0.757	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	23.2	178.7	-57.6	-171.8	171.4	0	0	112.4	N42 K46	N42-E44 VanDerWaalsContact C-N 3.25Å; N42-E44 PolarHBondContact O-N 3.18Å; N42-E44 WeakPolarHBondContact OD1-CA 3.34Å; N42-E44 PolarHBondContact OD1-N 2.9Å; E44-K46 PolarHBondContact O-N 3.08Å
45	S	78.9	Confident	87.8	Confident	50 Å²	50	75.6 Å²	75.6	35%	0.35	38%	0.384	S	S	.	.			trans	-55.7	110.6	176.8	65.1	0	0	0	0	110.1	N31 N42 L43	N31-S45 PolarHBondContact ND2-OG 3.22Å; N42-S45 WeakPolarHBondContact O-CB 3.29Å; N42-S45 PolarHBondContact O-N 3.09Å; L43-S45 PolarHBondContact O-N 3.01Å
46	K	80.2	Confident	87.7	Confident	188 Å²	188	77.3 Å²	77.3	82%	0.817	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-70.8	162.4	174.7	-62.7	-175	-178.7	177.8	0	110.1	E44 T48	E44-K46 PolarHBondContact O-N 3.08Å; K46-T48 PolarHBondContact O-N 3.23Å
47	S	83.4	Confident	87.6	Confident	63 Å²	63	78.7 Å²	78.7	44%	0.441	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-56.2	125.7	171.9	-67.3	0	0	0	0	110.7	S25 I49	S25-S47 PolarHBondContact OG-OG 2.85Å; S47-I49 PolarHBondContact O-N 3.45Å
48	T	74.5	Confident	87.6	Confident	29 Å²	29	79 Å²	79	18%	0.178	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-59.3	120.9	174.6	-43.9	0	0	0	0	109.7	S30 K46 D71 A73	S30-T48 PolarHBondContact OG-OG1 3.43Å; K46-T48 PolarHBondContact O-N 3.23Å; T48-D71 PolarHBondContact OG1-OD2 3.07Å; T48-A73 WeakPolarHBondContact O-CB 3.42Å
49	I	70.5	Confident	87.8	Confident	123 Å²	123	80.5 Å²	80.5	63%	0.631	42%	0.418	S	S	*	.			trans	-97.8	115.1	171.2	-59	175.3	0	0	0	106.2	S47	S47-I49 PolarHBondContact O-N 3.45Å
50	G	73.2	Confident	87.8	Confident	20 Å²	20	75.2 Å²	75.2	21%	0.206	39%	0.39	C	S	.	.	S	Bend	trans	83.7	-136.5	-173.7	0	0	0	0	0	112.5	A73	G50-A73 WeakPolarHBondContact O-CB 3.29Å; G50-A73 PolarHBondContact O-N 3.28Å; G50-A73 VanDerWaalsContact O-N 3.14Å
51	V	82.4	Confident	87.8	Confident	34 Å²	34	74.4 Å²	74.4	21%	0.206	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.3	-174.2	-178.2	0	0	0	0	110.4	W70 D71 Y85	V51-W70 HydrophobicContact CG1-CB 4.13Å; V51-W70 HydrophobicContact CG1-CE3 3.7Å; V51-D71 CarbonylContact C-O 3.59Å; V51-D71 VanDerWaalsContact CA-O 3.24Å; V51-D71 WeakPolarHBondContact CA-O 3.46Å; V51-D71 VanDerWaalsContact CG1-O 3.24Å; V51-D71 WeakPolarHBondContact CG1-O 3.5Å; V51-Y85 HydrophobicContact CB-CD1 4.37Å; V51-Y85 HydrophobicContact CB-CD2 4.36Å; V51-Y85 HydrophobicContact CB-CE1 4.02Å; V51-Y85 HydrophobicContact CB-CE2 4.03Å; V51-Y85 HydrophobicContact CG1-CD1 3.99Å; V51-Y85 HydrophobicContact CG1-CE1 4.04Å; V51-Y85 HydrophobicContact CG1-CG 4.22Å; V51-Y85 HydrophobicContact CG2-CD1 4.28Å; V51-Y85 HydrophobicContact CG2-CD2 3.44Å; V51-Y85 VanDerWaalsContact CG2-CD2 3.44Å; V51-Y85 HydrophobicContact CG2-CE1 4.1Å; V51-Y85 HydrophobicContact CG2-CE2 3.24Å; V51-Y85 HydrophobicContact CG2-CG 3.96Å
52	E	88.3	Confident	87.8	Confident	59 Å²	59	74 Å²	74	28%	0.276	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.1	169.9	-177.9	-178.9	164.5	0	0	109	L33 R38 W70 D71	L33-E52 HydrophobicContact CD2-CB 4.38Å; L33-E52 HydrophobicContact CD2-CG 4.03Å; R38-E52 IonicContact CZ-OE1 3.9Å; R38-E52 IonicContact NH1-OE1 2.7Å; R38-E52 PolarHBondContact NH1-OE1 2.88Å; R38-E52 IonicContact NH2-OE1 2.88Å; R38-E52 PolarHBondContact NH2-OE1 3.47Å; E52-W70 CarbonylContact O-C 3.49Å; E52-W70 WeakPolarHBondContact O-CA 3.46Å; E52-D71 HydrophobicContact CB-CB 4.2Å; E52-D71 PolarHBondContact N-O 3.42Å; E52-D71 PolarHBondContact O-N 3.01Å
53	F	90.9	Very high	88	Confident	87 Å²	87	75.3 Å²	75.3	38%	0.382	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.2	179.3	170.3	-105.1	0	0	0	109.7	T55 Q68 W70	F53-T55 HydrophobicContact CE1-CG2 3.78Å; F53-T55 HydrophobicContact CE2-CG2 4.26Å; F53-T55 HydrophobicContact CZ-CG2 3.42Å; F53-T55 VanDerWaalsContact CZ-CG2 3.42Å; F53-Q68 HydrophobicContact CE2-CB 3.77Å; F53-Q68 HydrophobicContact CE2-CG 3.76Å; F53-Q68 HydrophobicContact CZ-CB 4.38Å; F53-Q68 HydrophobicContact CZ-CG 3.87Å; F53-W70 HydrophobicContact CB-CE3 4.11Å; F53-W70 HydrophobicContact CB-CZ3 4.15Å; 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 4.04Å; F53-W70 HydrophobicContact CD2-CG 4.26Å; F53-W70 HydrophobicContact CD2-CH2 4.04Å; F53-W70 AromaticContact CD2-CZ2 3.68Å; F53-W70 HydrophobicContact CD2-CZ2 3.68Å; F53-W70 HydrophobicContact CD2-CZ3 4.18Å; F53-W70 AromaticContact CD2-NE1 3.81Å; F53-W70 HydrophobicContact CE2-CD2 4.45Å; F53-W70 AromaticContact CE2-CE2 3.77Å; F53-W70 HydrophobicContact CE2-CH2 4.49Å; F53-W70 AromaticContact CE2-CZ2 3.82Å; F53-W70 HydrophobicContact CE2-CZ2 3.82Å; F53-W70 AromaticContact CE2-NE1 3.82Å; F53-W70 HydrophobicContact CG-CE3 4.47Å; F53-W70 HydrophobicContact CG-CH2 4.43Å; F53-W70 HydrophobicContact CG-CZ2 4.48Å; F53-W70 HydrophobicContact CG-CZ3 4.4Å
54	A	94.7	Very high	88.5	Confident	11 Å²	11	70.9 Å²	70.9	9%	0.091	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152	170.7	0	0	0	0	0	111.2	L33 T37 I69	L33-A54 HydrophobicContact CD1-CB 3.96Å; L33-A54 HydrophobicContact CD2-CB 4.22Å; L33-A54 HydrophobicContact CG-CB 4.22Å; T37-A54 HydrophobicContact CG2-CB 3.87Å; A54-I69 PolarHBondContact N-O 3.33Å; A54-I69 PolarHBondContact O-N 3.42Å
55	T	95.3	Very high	89.2	Confident	66 Å²	66	63.1 Å²	63.1	41%	0.405	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	142	174.3	53.2	0	0	0	0	111.2	F53 A67 Q68	F53-T55 HydrophobicContact CE1-CG2 3.78Å; F53-T55 HydrophobicContact CE2-CG2 4.26Å; F53-T55 HydrophobicContact CZ-CG2 3.42Å; F53-T55 VanDerWaalsContact CZ-CG2 3.42Å; T55-A67 CarbonylContact C-O 3.58Å; T55-A67 WeakPolarHBondContact CA-O 3.37Å; T55-Q68 HydrophobicContact CG2-CG 4.18Å
56	K	95.7	Very high	90	Very high	78 Å²	78	62.2 Å²	62.2	34%	0.339	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	125.8	170.9	-173.2	68.7	168.9	-169.9	0	109.7	F36 T37 V58 A67	F36-K56 HydrophobicContact CD1-CB 4.47Å; F36-K56 HydrophobicContact CD1-CG 4.5Å; F36-K56 HydrophobicContact CE1-CB 3.79Å; F36-K56 HydrophobicContact CE1-CG 3.77Å; F36-K56 HydrophobicContact CZ-CB 4.39Å; F36-K56 HydrophobicContact CZ-CG 3.92Å; T37-K56 HydrophobicContact CG2-CB 4.3Å; K56-V58 HydrophobicContact CG-CG1 4.19Å; K56-A67 PolarHBondContact N-O 2.75Å; K56-A67 WeakPolarHBondContact O-CB 3.4Å; K56-A67 PolarHBondContact O-N 2.95Å
57	S	95.9	Very high	90.8	Very high	44 Å²	44	53.3 Å²	53.3	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	132.8	169.8	-60.1	0	0	0	0	109.6	I65	S57-I65 CarbonylContact C-O 3.48Å; S57-I65 WeakPolarHBondContact CA-O 3.3Å
58	V	96.1	Very high	91.5	Very high	25 Å²	25	52.6 Å²	52.6	15%	0.152	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.1	174.7	-60.3	0	0	0	0	109.6	F36 K56 I60 I65 L174	F36-V58 HydrophobicContact CZ-CG1 4.11Å; K56-V58 HydrophobicContact CG-CG1 4.19Å; V58-I60 HydrophobicContact CG2-CD1 4.19Å; V58-I60 HydrophobicContact CG2-CG1 4.14Å; V58-I65 HydrophobicContact CG2-CB 4.02Å; V58-I65 PolarHBondContact N-O 3.25Å; V58-I65 PolarHBondContact O-N 3.24Å; V58-L174 HydrophobicContact CG1-CD1 4.41Å; V58-L174 HydrophobicContact CG2-CD1 3.72Å
59	E	96.6	Very high	92.6	Very high	142 Å²	142	51.2 Å²	51.2	66%	0.664	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.7	174.4	-163.9	-174.2	158.3	0	0	109.9	R63	E59-R63 WeakPolarHBondContact CA-O 3.29Å
60	I	96.3	Very high	93.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.6	176.2	-54	-168.1	0	0	0	108.2	V58 G62 R63 I65 Y171 L174 K175 F178	V58-I60 HydrophobicContact CG2-CD1 4.19Å; V58-I60 HydrophobicContact CG2-CG1 4.14Å; I60-G62 PolarHBondContact O-N 3Å; I60-R63 PolarHBondContact N-O 2.77Å; I60-R63 WeakPolarHBondContact O-CB 3.41Å; I60-R63 PolarHBondContact O-N 3.23Å; I60-I65 HydrophobicContact CB-CD1 3.7Å; I60-I65 HydrophobicContact CD1-CD1 3.59Å; I60-I65 HydrophobicContact CG1-CD1 3.7Å; I60-Y171 HydrophobicContact CD1-CD2 4.21Å; I60-Y171 HydrophobicContact CD1-CE2 3.95Å; I60-Y171 HydrophobicContact CG1-CD2 4.34Å; I60-Y171 HydrophobicContact CG1-CE2 3.68Å; I60-L174 HydrophobicContact CD1-CB 3.87Å; I60-K175 HydrophobicContact CD1-CB 3.96Å; I60-K175 HydrophobicContact CG2-CB 4.24Å; I60-K175 HydrophobicContact CG2-CD 4.34Å; I60-K175 HydrophobicContact CG2-CG 3.97Å; I60-F178 HydrophobicContact CG2-CD1 3.92Å; I60-F178 HydrophobicContact CG2-CE1 4.44Å
61	D	94.8	Very high	94.6	Very high	84 Å²	84	46.7 Å²	46.7	45%	0.449	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	42.3	-179.6	-60.8	-5.5	0	0	0	113.6	R63 F178 R182	D61-R63 VanDerWaalsContact C-N 3.27Å; D61-R63 PolarHBondContact O-N 3.19Å; D61-F178 HydrophobicContact CB-CE1 3.97Å; D61-R182 IonicContact OD2-NH1 3.89Å
62	G	94.6	Very high	94.8	Very high	56 Å²	56	45 Å²	45	58%	0.577	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	12.6	-179.7	0	0	0	0	0	114.9	I60	I60-G62 PolarHBondContact O-N 3Å
63	R	96.3	Very high	94.6	Very high	116 Å²	116	42.3 Å²	42.3	44%	0.438	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137	174.9	-60.3	-62.1	-176.6	170.1	-3.7	110.8	D14 Y15 E59 I60 D61 F178	D14-R63 HydrophobicContact CB-CB 4.24Å; D14-R63 IonicContact OD1-CZ 3.93Å; D14-R63 IonicContact OD1-NH1 3.7Å; D14-R63 PolarHBondContact OD1-NH1 2.94Å; D14-R63 WeakPolarHBondContact OD2-CA 3.21Å; Y15-R63 HydrophobicContact CD2-CB 4.19Å; Y15-R63 HydrophobicContact CE2-CB 4.11Å; Y15-R63 HydrophobicContact CE2-CG 4.05Å; E59-R63 WeakPolarHBondContact CA-O 3.29Å; I60-R63 PolarHBondContact N-O 2.77Å; I60-R63 WeakPolarHBondContact O-CB 3.41Å; I60-R63 PolarHBondContact O-N 3.23Å; D61-R63 VanDerWaalsContact C-N 3.27Å; D61-R63 PolarHBondContact O-N 3.19Å; R63-F178 HydrophobicContact CB-CE2 4.21Å; R63-F178 HydrophobicContact CB-CZ 4.23Å; R63-F178 HydrophobicContact CG-CE2 4.01Å; R63-F178 HydrophobicContact CG-CZ 3.79Å
64	T	96.5	Very high	93.8	Very high	51 Å²	51	38.6 Å²	38.6	31%	0.313	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	115.1	173.7	-57.6	0	0	0	0	109.6	D14 Y15	D14-T64 PolarHBondContact N-O 3.24Å; D14-T64 PolarHBondContact OD2-N 3.4Å; Y15-T64 PolarHBondContact N-O 2.94Å
65	I	97.1	Very high	93	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.6	176	-58.5	172	0	0	0	108	Y15 F17 S57 V58 I60 L174 F178	Y15-I65 HydrophobicContact CD2-CG1 4.47Å; Y15-I65 WeakPolarHBondContact O-CA 3.32Å; F17-I65 HydrophobicContact CB-CG2 4.4Å; F17-I65 HydrophobicContact CD2-CD1 4.49Å; F17-I65 HydrophobicContact CD2-CG2 3.4Å; F17-I65 VanDerWaalsContact CD2-CG2 3.4Å; F17-I65 HydrophobicContact CE2-CD1 3.92Å; F17-I65 HydrophobicContact CE2-CG1 4.35Å; F17-I65 HydrophobicContact CE2-CG2 3.78Å; F17-I65 HydrophobicContact CG-CG2 4.01Å; S57-I65 CarbonylContact C-O 3.48Å; S57-I65 WeakPolarHBondContact CA-O 3.3Å; V58-I65 HydrophobicContact CG2-CB 4.02Å; V58-I65 PolarHBondContact N-O 3.25Å; V58-I65 PolarHBondContact O-N 3.24Å; I60-I65 HydrophobicContact CB-CD1 3.7Å; I60-I65 HydrophobicContact CD1-CD1 3.59Å; I60-I65 HydrophobicContact CG1-CD1 3.7Å; I65-L174 HydrophobicContact CG2-CD2 4.42Å; I65-F178 HydrophobicContact CD1-CB 3.83Å; I65-F178 HydrophobicContact CD1-CD2 4.18Å; I65-F178 HydrophobicContact CD1-CG 4.02Å
66	K	97.4	Very high	91.7	Very high	31 Å²	31	42.9 Å²	42.9	14%	0.135	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.5	169.9	-166	163.2	-171.4	159.1	0	108.4	D10 D11 Y13 Y15 L16 F17	D10-K66 PolarHBondContact O-NZ 2.78Å; D11-K66 IonicContact OD1-NZ 3.02Å; Y13-K66 HydrophobicContact CD1-CB 3.94Å; Y13-K66 HydrophobicContact CD1-CD 3.44Å; Y13-K66 VanDerWaalsContact CD1-CD 3.44Å; Y13-K66 HydrophobicContact CD1-CG 4.34Å; Y13-K66 HydrophobicContact CD2-CB 4.31Å; Y13-K66 HydrophobicContact CE1-CD 3.76Å; Y13-K66 HydrophobicContact CG-CB 3.76Å; Y13-K66 HydrophobicContact CG-CD 4.16Å; Y15-K66 PolarHBondContact O-N 3.49Å; L16-K66 WeakPolarHBondContact CA-O 3.5Å; L16-K66 HydrophobicContact CD1-CB 3.98Å; L16-K66 HydrophobicContact CD1-CD 4.46Å; L16-K66 HydrophobicContact CD1-CG 4.12Å; L16-K66 WeakPolarHBondContact CD1-O 3.25Å; F17-K66 PolarHBondContact N-O 3.47Å
67	A	97.3	Very high	90.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.4	173.7	0	0	0	0	0	109.9	F17 T55 K56 I69 L174	F17-A67 CarbonylContact O-C 3.51Å; F17-A67 WeakPolarHBondContact O-CA 3.5Å; T55-A67 CarbonylContact C-O 3.58Å; T55-A67 WeakPolarHBondContact CA-O 3.37Å; K56-A67 PolarHBondContact N-O 2.75Å; K56-A67 WeakPolarHBondContact O-CB 3.4Å; K56-A67 PolarHBondContact O-N 2.95Å; A67-I69 HydrophobicContact CB-CD1 4.37Å; A67-I69 HydrophobicContact CB-CG1 4.21Å; A67-L174 HydrophobicContact CB-CD1 3.85Å; A67-L174 HydrophobicContact CB-CD2 3.76Å; A67-L174 HydrophobicContact CB-CG 4.47Å
68	Q	96.9	Very high	90	Very high	49 Å²	49	48.3 Å²	48.3	23%	0.229	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	105.9	168.5	-80.4	-169.5	1.2	0	0	108.4	L16 F17 K18 V19 F53 T55	L16-Q68 HydrophobicContact CD1-CG 3.79Å; F17-Q68 PolarHBondContact O-N 2.85Å; K18-Q68 CarbonylContact C-O 3.59Å; K18-Q68 WeakPolarHBondContact CA-O 3.44Å; V19-Q68 PolarHBondContact N-O 3.49Å; F53-Q68 HydrophobicContact CE2-CB 3.77Å; F53-Q68 HydrophobicContact CE2-CG 3.76Å; F53-Q68 HydrophobicContact CZ-CB 4.38Å; F53-Q68 HydrophobicContact CZ-CG 3.87Å; T55-Q68 HydrophobicContact CG2-CG 4.18Å
69	I	96.9	Very high	88.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.1	-174.1	-52.1	163.5	0	0	0	109.2	V19 L21 L33 F36 T37 A54 A67 F170	V19-I69 HydrophobicContact CB-CG1 4.45Å; V19-I69 VanDerWaalsContact O-CA 3.32Å; V19-I69 WeakPolarHBondContact O-CA 3.41Å; L21-I69 HydrophobicContact CD1-CG2 4.12Å; L21-I69 HydrophobicContact CD2-CG2 3.98Å; L21-I69 HydrophobicContact CG-CG2 3.86Å; L33-I69 HydrophobicContact CD1-CB 3.64Å; L33-I69 HydrophobicContact CD1-CD1 4.2Å; L33-I69 HydrophobicContact CD1-CG2 3.5Å; L33-I69 VanDerWaalsContact CD1-CG2 3.5Å; F36-I69 HydrophobicContact CD1-CD1 3.56Å; F36-I69 HydrophobicContact CE1-CD1 3.56Å; T37-I69 HydrophobicContact CG2-CD1 4.44Å; A54-I69 PolarHBondContact N-O 3.33Å; A54-I69 PolarHBondContact O-N 3.42Å; A67-I69 HydrophobicContact CB-CD1 4.37Å; A67-I69 HydrophobicContact CB-CG1 4.21Å; I69-F170 HydrophobicContact CD1-CD1 3.83Å; I69-F170 HydrophobicContact CD1-CE1 3.7Å; I69-F170 HydrophobicContact CG1-CE1 4.4Å; I69-F170 HydrophobicContact CG2-CE1 4.07Å
70	W	94.9	Very high	87.9	Confident	47 Å²	47	48.4 Å²	48.4	18%	0.178	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.3	-178.2	-61.1	79.1	0	0	0	109.4	V19 V20 L21 V51 E52 F53 Y85	V19-W70 PolarHBondContact O-N 2.9Å; V20-W70 HydrophobicContact CG1-CB 4.22Å; L21-W70 PolarHBondContact N-O 3.47Å; V51-W70 HydrophobicContact CG1-CB 4.13Å; V51-W70 HydrophobicContact CG1-CE3 3.7Å; E52-W70 CarbonylContact O-C 3.49Å; E52-W70 WeakPolarHBondContact O-CA 3.46Å; F53-W70 HydrophobicContact CB-CE3 4.11Å; F53-W70 HydrophobicContact CB-CZ3 4.15Å; 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 4.04Å; F53-W70 HydrophobicContact CD2-CG 4.26Å; F53-W70 HydrophobicContact CD2-CH2 4.04Å; F53-W70 AromaticContact CD2-CZ2 3.68Å; F53-W70 HydrophobicContact CD2-CZ2 3.68Å; F53-W70 HydrophobicContact CD2-CZ3 4.18Å; F53-W70 AromaticContact CD2-NE1 3.81Å; F53-W70 HydrophobicContact CE2-CD2 4.45Å; F53-W70 AromaticContact CE2-CE2 3.77Å; F53-W70 HydrophobicContact CE2-CH2 4.49Å; F53-W70 AromaticContact CE2-CZ2 3.82Å; F53-W70 HydrophobicContact CE2-CZ2 3.82Å; F53-W70 AromaticContact CE2-NE1 3.82Å; F53-W70 HydrophobicContact CG-CE3 4.47Å; F53-W70 HydrophobicContact CG-CH2 4.43Å; F53-W70 HydrophobicContact CG-CZ2 4.48Å; F53-W70 HydrophobicContact CG-CZ3 4.4Å; W70-Y85 HydrophobicContact CD2-CD1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.41Å; W70-Y85 HydrophobicContact CE3-CD1 3.41Å; W70-Y85 VanDerWaalsContact CE3-CD1 3.41Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CG 4.5Å; W70-Y85 HydrophobicContact CH2-CD1 4.43Å; W70-Y85 HydrophobicContact CH2-CE1 4.41Å; W70-Y85 AromaticContact CZ3-CD1 3.59Å; W70-Y85 HydrophobicContact CZ3-CD1 3.59Å; W70-Y85 AromaticContact CZ3-CE1 3.48Å; W70-Y85 HydrophobicContact CZ3-CE1 3.48Å; W70-Y85 VanDerWaalsContact CZ3-CE1 3.48Å
71	D	92.3	Very high	86.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	115.4	171.3	174	41.5	0	0	0	110.1	L21 K29 S30 L33 T48 V51 E52	L21-D71 HydrophobicContact CD1-CB 4.25Å; K29-D71 WeakPolarHBondContact CB-OD1 3.35Å; S30-D71 WeakPolarHBondContact CA-OD2 3.3Å; S30-D71 VanDerWaalsContact CB-OD2 3.24Å; S30-D71 WeakPolarHBondContact CB-OD2 3.36Å; S30-D71 PolarHBondContact OG-OD2 2.97Å; L33-D71 HydrophobicContact CD2-CB 3.65Å; T48-D71 PolarHBondContact OG1-OD2 3.07Å; V51-D71 CarbonylContact C-O 3.59Å; V51-D71 VanDerWaalsContact CA-O 3.24Å; V51-D71 WeakPolarHBondContact CA-O 3.46Å; V51-D71 VanDerWaalsContact CG1-O 3.24Å; V51-D71 WeakPolarHBondContact CG1-O 3.5Å; E52-D71 HydrophobicContact CB-CB 4.2Å; E52-D71 PolarHBondContact N-O 3.42Å; E52-D71 PolarHBondContact O-N 3.01Å
72	T	86.7	Confident	86	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	151.6	-174.4	68	0	0	0	0	112.8	L21 K29 G74 T82	L21-T72 WeakPolarHBondContact O-CB 3.22Å; L21-T72 PolarHBondContact O-N 2.99Å; L21-T72 PolarHBondContact O-OG1 3.03Å; K29-T72 WeakPolarHBondContact CE-O 3.15Å; T72-G74 PolarHBondContact O-N 2.83Å; T72-T82 HydrophobicContact CG2-CG2 3.89Å
73	A	82.8	Confident	85.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	23%	0.226	C	C	.	.			trans	-60.9	128.3	171	0	0	0	0	0	110.8	T48 G50 Q75 Y78 T82	T48-A73 WeakPolarHBondContact O-CB 3.42Å; G50-A73 WeakPolarHBondContact O-CB 3.29Å; G50-A73 PolarHBondContact O-N 3.28Å; G50-A73 VanDerWaalsContact O-N 3.14Å; A73-Q75 VanDerWaalsContact C-N 3.34Å; A73-Y78 HydrophobicContact CB-CD2 3.91Å; A73-Y78 HydrophobicContact CB-CG 4.26Å; A73-T82 PolarHBondContact O-OG1 2.93Å
74	G	74.2	Confident	84.6	Confident	9 Å²	9	44.2 Å²	44.2	9%	0.093	23%	0.229	C	C	.	.			trans	-90.6	11.3	178.2	0	0	0	0	0	114.8	G23 S25 T72	G23-G74 WeakPolarHBondContact O-CA 3.33Å; S25-G74 PolarHBondContact N-O 2.77Å; T72-G74 PolarHBondContact O-N 2.83Å
75	Q	78.6	Confident	84.1	Confident	56 Å²	56	45 Å²	45	26%	0.262	23%	0.227	S	C	.	.	S	Bend	trans	-96.8	136.1	179.1	-65.3	-76.7	-19.1	0	0	109.6	S25 A73 R77 Y78	S25-Q75 PolarHBondContact OG-NE2 3Å; A73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-R77 VanDerWaalsContact C-N 3.27Å; Q75-R77 HydrophobicContact CB-CG 4.23Å; Q75-R77 PolarHBondContact O-N 2.82Å; Q75-Y78 HydrophobicContact CB-CD2 3.8Å; Q75-Y78 HydrophobicContact CB-CE2 4.24Å; Q75-Y78 HydrophobicContact CG-CD2 4.45Å; Q75-Y78 PolarHBondContact O-N 2.89Å
76	E	68.2	Low	83.7	Confident	111 Å²	111	45 Å²	45	52%	0.519	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-56.6	-39.2	-178.5	72	-57.6	137.8	0	0	112.8	Y78 R79	E76-Y78 PolarHBondContact O-N 3.38Å; E76-R79 WeakPolarHBondContact O-CB 3.29Å; E76-R79 VanDerWaalsContact O-CG 3.3Å; E76-R79 WeakPolarHBondContact O-CG 3.16Å; E76-R79 PolarHBondContact O-N 2.98Å
77	R	77.9	Confident	83.1	Confident	182 Å²	182	51.7 Å²	51.7	69%	0.687	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-61.2	-14.9	178.4	71.9	-178.6	-63.7	171.2	1.6	114.7	Q75	Q75-R77 VanDerWaalsContact C-N 3.27Å; Q75-R77 HydrophobicContact CB-CG 4.23Å; Q75-R77 PolarHBondContact O-N 2.82Å
78	Y	77.6	Confident	82.7	Confident	55 Å²	55	53.4 Å²	53.4	22%	0.216	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-107.7	4.7	178.8	-58.2	-52.2	0	0	0	113.5	A73 Q75 E76 A80 I81 T82	A73-Y78 HydrophobicContact CB-CD2 3.91Å; A73-Y78 HydrophobicContact CB-CG 4.26Å; Q75-Y78 HydrophobicContact CB-CD2 3.8Å; Q75-Y78 HydrophobicContact CB-CE2 4.24Å; Q75-Y78 HydrophobicContact CG-CD2 4.45Å; Q75-Y78 PolarHBondContact O-N 2.89Å; E76-Y78 PolarHBondContact O-N 3.38Å; Y78-A80 VanDerWaalsContact C-N 3.29Å; Y78-A80 PolarHBondContact O-N 3.36Å; Y78-I81 HydrophobicContact CD1-CD1 4.41Å; Y78-I81 WeakPolarHBondContact O-CA 3.41Å; Y78-I81 WeakPolarHBondContact O-CB 3.29Å; Y78-I81 PolarHBondContact O-N 3.16Å; Y78-T82 PolarHBondContact O-N 2.98Å; Y78-T82 PolarHBondContact O-OG1 3.1Å
79	R	73.4	Confident	82.6	Confident	77 Å²	77	51.1 Å²	51.1	29%	0.291	26%	0.258	S	S	.	.	H	α-helix	trans	-54.2	-39.4	-176.4	-79.2	173.8	-179.1	-178.9	-3.6	114.5	E76 I81 T82 A83 H109 E113	E76-R79 WeakPolarHBondContact O-CB 3.29Å; E76-R79 VanDerWaalsContact O-CG 3.3Å; E76-R79 WeakPolarHBondContact O-CG 3.16Å; E76-R79 PolarHBondContact O-N 2.98Å; R79-I81 PolarHBondContact O-N 2.86Å; R79-T82 PolarHBondContact O-N 2.84Å; R79-T82 VanDerWaalsContact O-N 3.17Å; R79-A83 PolarHBondContact O-N 3.42Å; R79-H109 PolarHBondContact NH1-CE1 3.47Å; R79-H109 PolarHBondContact NH1-NE2 2.92Å; R79-H109 PolarHBondContact NH2-CE1 2.96Å; R79-H109 VanDerWaalsContact NH2-CE1 3.3Å; R79-H109 PolarHBondContact NH2-ND1 2.85Å; R79-E113 WeakPolarHBondContact CD-OE2 3.4Å; R79-E113 WeakPolarHBondContact CG-OE2 3.42Å; R79-E113 IonicContact NE-OE2 2.71Å
80	A	74.7	Confident	82.5	Confident	92 Å²	92	53 Å²	53	76%	0.76	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-34.7	177.7	0	0	0	0	0	112.6	Y78	Y78-A80 VanDerWaalsContact C-N 3.29Å; Y78-A80 PolarHBondContact O-N 3.36Å
81	I	74.4	Confident	82.6	Confident	83 Å²	83	50.7 Å²	50.7	43%	0.426	26%	0.261	S	S	.	.	H	α-helix	trans	-72.4	-46.7	174.7	-63.8	173.2	0	0	0	109	Y78 R79 A83 A84 Y85	Y78-I81 HydrophobicContact CD1-CD1 4.41Å; Y78-I81 WeakPolarHBondContact O-CA 3.41Å; Y78-I81 WeakPolarHBondContact O-CB 3.29Å; Y78-I81 PolarHBondContact O-N 3.16Å; R79-I81 PolarHBondContact O-N 2.86Å; I81-A83 PolarHBondContact O-N 2.92Å; I81-A84 WeakPolarHBondContact O-CB 3.41Å; I81-A84 PolarHBondContact O-N 3.47Å; I81-Y85 HydrophobicContact CG2-CE2 3.76Å; I81-Y85 WeakPolarHBondContact O-CD2 3.35Å; I81-Y85 VanDerWaalsContact O-CE2 3.32Å; I81-Y85 WeakPolarHBondContact O-CE2 3.49Å
82	T	76.9	Confident	82.8	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-44.2	179.2	-61.8	0	0	0	0	112.9	T72 A73 Y78 R79 A84 Y85 Y86 W110	T72-T82 HydrophobicContact CG2-CG2 3.89Å; A73-T82 PolarHBondContact O-OG1 2.93Å; Y78-T82 PolarHBondContact O-N 2.98Å; Y78-T82 PolarHBondContact O-OG1 3.1Å; R79-T82 PolarHBondContact O-N 2.84Å; R79-T82 VanDerWaalsContact O-N 3.17Å; T82-A84 PolarHBondContact O-N 3.13Å; T82-Y85 PolarHBondContact O-N 3.25Å; T82-Y86 HydrophobicContact CG2-CE1 3.64Å; T82-Y86 HydrophobicContact CG2-CE2 4.44Å; T82-Y86 WeakPolarHBondContact CG2-OH 3.09Å; T82-W110 HydrophobicContact CG2-CZ3 4.47Å
83	A	78.6	Confident	83.4	Confident	22 Å²	22	50.8 Å²	50.8	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-32.4	-179.1	0	0	0	0	0	113.3	R79 I81 Y85 Y86	R79-A83 PolarHBondContact O-N 3.42Å; I81-A83 PolarHBondContact O-N 2.92Å; A83-Y85 PolarHBondContact O-N 3.14Å; A83-Y86 HydrophobicContact CB-CD2 4.4Å; A83-Y86 HydrophobicContact CB-CE2 4.48Å; A83-Y86 PolarHBondContact O-N 3.35Å
84	A	83.3	Confident	84.1	Confident	62 Å²	62	50.7 Å²	50.7	51%	0.512	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-26	176.8	0	0	0	0	0	112.9	I81 T82	I81-A84 WeakPolarHBondContact O-CB 3.41Å; I81-A84 PolarHBondContact O-N 3.47Å; T82-A84 PolarHBondContact O-N 3.13Å
85	Y	85.5	Confident	85.3	Confident	67 Å²	67	50.3 Å²	50.3	26%	0.263	26%	0.256	S	S	.	.	H	α-helix	trans	-85	-13.9	-179.2	-64.2	-87.1	0	0	0	113.5	K18 V51 W70 I81 T82 A83 R87	K18-Y85 WeakPolarHBondContact CE-O 3.4Å; K18-Y85 PolarHBondContact NZ-O 2.84Å; V51-Y85 HydrophobicContact CB-CD1 4.37Å; V51-Y85 HydrophobicContact CB-CD2 4.36Å; V51-Y85 HydrophobicContact CB-CE1 4.02Å; V51-Y85 HydrophobicContact CB-CE2 4.03Å; V51-Y85 HydrophobicContact CG1-CD1 3.99Å; V51-Y85 HydrophobicContact CG1-CE1 4.04Å; V51-Y85 HydrophobicContact CG1-CG 4.22Å; V51-Y85 HydrophobicContact CG2-CD1 4.28Å; V51-Y85 HydrophobicContact CG2-CD2 3.44Å; V51-Y85 VanDerWaalsContact CG2-CD2 3.44Å; V51-Y85 HydrophobicContact CG2-CE1 4.1Å; V51-Y85 HydrophobicContact CG2-CE2 3.24Å; V51-Y85 HydrophobicContact CG2-CG 3.96Å; W70-Y85 HydrophobicContact CD2-CD1 4.13Å; W70-Y85 AromaticContact CE3-CD1 3.41Å; W70-Y85 HydrophobicContact CE3-CD1 3.41Å; W70-Y85 VanDerWaalsContact CE3-CD1 3.41Å; W70-Y85 AromaticContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CE1 3.7Å; W70-Y85 HydrophobicContact CE3-CG 4.5Å; W70-Y85 HydrophobicContact CH2-CD1 4.43Å; W70-Y85 HydrophobicContact CH2-CE1 4.41Å; W70-Y85 AromaticContact CZ3-CD1 3.59Å; W70-Y85 HydrophobicContact CZ3-CD1 3.59Å; W70-Y85 AromaticContact CZ3-CE1 3.48Å; W70-Y85 HydrophobicContact CZ3-CE1 3.48Å; W70-Y85 VanDerWaalsContact CZ3-CE1 3.48Å; I81-Y85 HydrophobicContact CG2-CE2 3.76Å; I81-Y85 WeakPolarHBondContact O-CD2 3.35Å; I81-Y85 VanDerWaalsContact O-CE2 3.32Å; I81-Y85 WeakPolarHBondContact O-CE2 3.49Å; T82-Y85 PolarHBondContact O-N 3.25Å; A83-Y85 PolarHBondContact O-N 3.14Å; Y85-R87 VanDerWaalsContact C-N 3.3Å; Y85-R87 PolarHBondContact O-N 3.36Å
86	Y	88.5	Confident	86.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-27.9	176.7	-58.7	-23.7	0	0	0	112.7	V20 I22 T82 A83 G88 A89 E113 L114 N117	V20-Y86 HydrophobicContact CG1-CD1 4.45Å; V20-Y86 HydrophobicContact CG2-CD1 4.26Å; I22-Y86 HydrophobicContact CG2-CD1 4.4Å; I22-Y86 HydrophobicContact CG2-CE1 3.42Å; I22-Y86 VanDerWaalsContact CG2-CE1 3.42Å; T82-Y86 HydrophobicContact CG2-CE1 3.64Å; T82-Y86 HydrophobicContact CG2-CE2 4.44Å; T82-Y86 WeakPolarHBondContact CG2-OH 3.09Å; A83-Y86 HydrophobicContact CB-CD2 4.4Å; A83-Y86 HydrophobicContact CB-CE2 4.48Å; A83-Y86 PolarHBondContact O-N 3.35Å; Y86-G88 PolarHBondContact O-N 2.91Å; Y86-A89 VanDerWaalsContact O-CB 3.23Å; Y86-A89 WeakPolarHBondContact O-CB 3.26Å; Y86-A89 PolarHBondContact O-N 2.92Å; Y86-E113 HydrophobicContact CE2-CG 4.04Å; Y86-E113 VanDerWaalsContact CE2-OE1 3.29Å; Y86-E113 WeakPolarHBondContact CE2-OE1 3.32Å; Y86-E113 PolarHBondContact OH-OE1 3.34Å; Y86-L114 HydrophobicContact CD1-CD1 4.03Å; Y86-L114 HydrophobicContact CD2-CD1 4.41Å; Y86-L114 HydrophobicContact CE1-CD1 4.36Å; Y86-L114 HydrophobicContact CG-CD1 4.06Å; Y86-N117 HydrophobicContact CD2-CB 3.67Å; Y86-N117 HydrophobicContact CG-CB 4.47Å
87	R	86.4	Confident	87.7	Confident	172 Å²	172	42.4 Å²	42.4	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	126.4	-179.1	-173.4	179.5	-67.9	134.9	2.6	111.4	K18 Y85 A89	K18-R87 PolarHBondContact NZ-O 2.82Å; Y85-R87 VanDerWaalsContact C-N 3.3Å; Y85-R87 PolarHBondContact O-N 3.36Å; R87-A89 PolarHBondContact O-N 3.15Å
88	G	88.9	Confident	88.7	Confident	35 Å²	35	33.7 Å²	33.7	36%	0.361	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	6.6	179.8	0	0	0	0	0	114.8	Y86	Y86-G88 PolarHBondContact O-N 2.91Å
89	A	93.8	Very high	89.7	Confident	2 Å²	2	32.3 Å²	32.3	2%	0.017	18%	0.184	C	C	.	.			trans	-68	133.5	168.3	0	0	0	0	0	109.5	K18 V20 Y86 R87 M122	K18-A89 HydrophobicContact CG-CB 4.3Å; K18-A89 WeakPolarHBondContact O-CA 3.09Å; V20-A89 HydrophobicContact CG1-CB 3.84Å; V20-A89 HydrophobicContact CG2-CB 4.17Å; Y86-A89 VanDerWaalsContact O-CB 3.23Å; Y86-A89 WeakPolarHBondContact O-CB 3.26Å; Y86-A89 PolarHBondContact O-N 2.92Å; R87-A89 PolarHBondContact O-N 3.15Å; A89-M122 HydrophobicContact CB-CE 3.54Å; A89-M122 WeakPolarHBondContact O-CE 3.24Å
90	V	95.2	Very high	90.9	Very high	38 Å²	38	33.5 Å²	33.5	23%	0.23	19%	0.191	C	C	.	.			trans	-106.1	-10.6	177.1	-66.6	0	0	0	0	111.7	F17 K18 M122 V123 I177	F17-V90 HydrophobicContact CB-CG2 3.93Å; F17-V90 HydrophobicContact CD1-CG2 4.21Å; F17-V90 HydrophobicContact CG-CG2 4.25Å; K18-V90 WeakPolarHBondContact O-CG2 3.38Å; K18-V90 PolarHBondContact O-N 3.36Å; V90-M122 WeakPolarHBondContact O-CB 3.49Å; V90-V123 PolarHBondContact O-N 3.14Å; V90-V123 VanDerWaalsContact O-N 3.09Å; V90-I177 HydrophobicContact CB-CG2 4.2Å; V90-I177 HydrophobicContact CG2-CD1 4.28Å; V90-I177 HydrophobicContact CG2-CG2 3.87Å
91	G	97	Very high	92	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.2	172.3	0	0	0	0	0	113.5	K18 V19 V20 V123	K18-G91 PolarHBondContact O-N 3.5Å; V19-G91 VanDerWaalsContact CA-O 3.3Å; V19-G91 WeakPolarHBondContact CA-O 3.48Å; V20-G91 PolarHBondContact N-O 2.99Å; G91-V123 CarbonylContact C-O 3.59Å; G91-V123 WeakPolarHBondContact CA-O 3.24Å
92	A	97.5	Very high	93.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.4	171.2	0	0	0	0	0	112.5	V20 L114 M122 V123 V124 M125 I173	V20-A92 HydrophobicContact CG2-CB 3.7Å; V20-A92 CarbonylContact O-C 3.52Å; V20-A92 VanDerWaalsContact O-CA 3.29Å; V20-A92 WeakPolarHBondContact O-CA 3.38Å; A92-L114 HydrophobicContact CB-CD1 4.36Å; A92-L114 HydrophobicContact CB-CD2 3.64Å; A92-M122 HydrophobicContact CB-SD 4Å; A92-V123 PolarHBondContact N-O 2.98Å; A92-V124 HydrophobicContact CB-CG1 4.33Å; A92-V124 HydrophobicContact CB-CG2 4.28Å; A92-V124 WeakPolarHBondContact O-CA 3.3Å; A92-M125 PolarHBondContact O-N 2.91Å; A92-I173 VanDerWaalsContact O-CD1 3.22Å; A92-I173 WeakPolarHBondContact O-CD1 3.29Å
93	L	98.6	Very high	94.1	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	114.5	161.7	-58.9	-174.7	0	0	0	108.4	V20 L21 I22 V95 M125 V127 F170 I173	V20-L93 PolarHBondContact O-N 3.25Å; L21-L93 HydrophobicContact CD2-CB 3.69Å; L21-L93 HydrophobicContact CD2-CD1 3.69Å; L21-L93 HydrophobicContact CD2-CG 3.88Å; I22-L93 PolarHBondContact N-O 3.2Å; L93-V95 HydrophobicContact CB-CG2 4.21Å; L93-M125 HydrophobicContact CD2-CB 3.81Å; L93-M125 HydrophobicContact CD2-CG 4.33Å; L93-M125 HydrophobicContact CD2-SD 4.2Å; L93-V127 HydrophobicContact CB-CG2 4.2Å; L93-V127 HydrophobicContact CD1-CG2 4.49Å; L93-V127 HydrophobicContact CD2-CG2 4Å; L93-V127 HydrophobicContact CG-CG2 4.47Å; L93-F170 HydrophobicContact CD1-CD1 3.94Å; L93-F170 HydrophobicContact CD1-CD2 4.36Å; L93-F170 HydrophobicContact CD1-CE1 3.55Å; L93-F170 HydrophobicContact CD1-CE2 4.01Å; L93-F170 HydrophobicContact CD1-CG 4.33Å; L93-F170 HydrophobicContact CD1-CZ 3.59Å; L93-I173 HydrophobicContact CD2-CB 4.39Å; L93-I173 HydrophobicContact CD2-CD1 3.66Å; L93-I173 HydrophobicContact CD2-CG2 4.22Å; L93-I173 HydrophobicContact CG-CD1 4.41Å
94	L	98.2	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107.3	175	175.3	61.9	0	0	0	108.2	I22 L107 W110 L111 V124 M125 L126 V127 W147 L153	I22-L94 HydrophobicContact CD1-CB 4.45Å; I22-L94 HydrophobicContact CD1-CD1 3.77Å; I22-L94 HydrophobicContact CG1-CB 4.21Å; I22-L94 HydrophobicContact CG1-CD1 3.71Å; L94-L107 HydrophobicContact CD1-CD2 3.68Å; L94-L107 HydrophobicContact CD2-CB 4.43Å; L94-L107 HydrophobicContact CD2-CD2 3.81Å; L94-L107 HydrophobicContact CG-CD2 3.49Å; L94-L107 VanDerWaalsContact CG-CD2 3.49Å; L94-W110 HydrophobicContact CD1-CB 3.54Å; L94-W110 HydrophobicContact CD1-CG 4.36Å; L94-L111 HydrophobicContact CD2-CB 4.12Å; L94-L111 HydrophobicContact CD2-CD1 4.48Å; L94-V124 HydrophobicContact CB-CG1 4.39Å; L94-M125 PolarHBondContact N-O 3.23Å; L94-L126 HydrophobicContact CD2-CD1 4.37Å; L94-L126 HydrophobicContact CG-CD1 4.26Å; L94-L126 CarbonylContact O-C 3.48Å; L94-L126 WeakPolarHBondContact O-CA 3.41Å; L94-V127 PolarHBondContact O-N 3Å; L94-W147 HydrophobicContact CD2-CH2 3.99Å; L94-W147 HydrophobicContact CD2-CZ3 4.1Å; L94-L153 HydrophobicContact CD2-CD1 4.34Å
95	V	98.7	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.3	-165.3	-168.6	0	0	0	0	111.3	I22 V27 K29 L32 L93 V127 N129	I22-V95 PolarHBondContact O-N 3.21Å; V27-V95 HydrophobicContact CB-CG1 4.31Å; V27-V95 HydrophobicContact CG2-CB 3.93Å; V27-V95 HydrophobicContact CG2-CG1 3.82Å; K29-V95 HydrophobicContact CG-CB 4.07Å; K29-V95 HydrophobicContact CG-CG2 4.13Å; L32-V95 HydrophobicContact CD1-CG1 3.81Å; L32-V95 HydrophobicContact CD1-CG2 4.15Å; L93-V95 HydrophobicContact CB-CG2 4.21Å; V95-V127 WeakPolarHBondContact CA-O 2.93Å; V95-V127 HydrophobicContact CG1-CB 4.49Å; V95-V127 HydrophobicContact CG1-CG1 4.47Å; V95-V127 HydrophobicContact CG2-CB 4.28Å; V95-N129 HydrophobicContact CG1-CB 3.85Å
96	Y	98.7	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.9	167.9	75.4	-78.5	0	0	0	111.3	I98 F104 L107 L126 V127 G128 N129 V139 A144 F155	Y96-I98 HydrophobicContact CE2-CB 4.44Å; Y96-I98 HydrophobicContact CE2-CG2 3.9Å; Y96-F104 HydrophobicContact CD1-CD2 4.24Å; Y96-F104 HydrophobicContact CD2-CB 3.9Å; Y96-F104 AromaticContact CD2-CD2 3.95Å; Y96-F104 HydrophobicContact CD2-CD2 3.95Å; Y96-F104 HydrophobicContact CD2-CG 4.42Å; Y96-F104 HydrophobicContact CE1-CD2 4.16Å; Y96-F104 HydrophobicContact CE2-CB 4.41Å; Y96-F104 AromaticContact CE2-CD2 3.88Å; Y96-F104 HydrophobicContact CE2-CD2 3.88Å; Y96-F104 HydrophobicContact CG-CB 4.35Å; Y96-F104 HydrophobicContact CG-CD2 4.13Å; Y96-L107 HydrophobicContact CD1-CD1 4.11Å; Y96-L107 HydrophobicContact CG-CD1 4.33Å; Y96-L126 HydrophobicContact CD1-CD1 3.69Å; Y96-L126 HydrophobicContact CD1-CG 4.2Å; Y96-L126 HydrophobicContact CE1-CD1 3.95Å; Y96-L126 HydrophobicContact CE1-CD2 4.08Å; Y96-L126 HydrophobicContact CE1-CG 3.94Å; Y96-V127 WeakPolarHBondContact CD1-O 3.49Å; Y96-V127 PolarHBondContact N-O 3.23Å; Y96-G128 VanDerWaalsContact CZ-CA 3.45Å; Y96-N129 PolarHBondContact O-N 3.07Å; Y96-V139 HydrophobicContact CD2-CG2 4.35Å; Y96-V139 HydrophobicContact CE2-CB 3.87Å; Y96-V139 HydrophobicContact CE2-CG1 3.75Å; Y96-V139 HydrophobicContact CE2-CG2 4.03Å; Y96-A144 HydrophobicContact CE1-CB 4.24Å; Y96-A144 WeakPolarHBondContact OH-CB 3.46Å; Y96-F155 HydrophobicContact CE1-CE2 4.36Å
97	D	98.6	Very high	96.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.9	175.8	-179.8	-18.8	0	0	0	109.2	V27 T99 K100 T103 K130	V27-D97 HydrophobicContact CB-CB 4.33Å; V27-D97 HydrophobicContact CG1-CB 4.23Å; D97-T99 VanDerWaalsContact CG-OG1 3.28Å; D97-T99 PolarHBondContact O-N 2.88Å; D97-T99 WeakPolarHBondContact OD1-CB 3.38Å; D97-T99 PolarHBondContact OD1-N 2.88Å; D97-T99 PolarHBondContact OD1-OG1 3.19Å; D97-T99 PolarHBondContact OD2-OG1 3.38Å; D97-K100 HydrophobicContact CB-CB 4.18Å; D97-K100 HydrophobicContact CB-CD 4.43Å; D97-K100 HydrophobicContact CB-CG 4.4Å; D97-K100 CarbonylContact O-C 3.6Å; D97-K100 PolarHBondContact O-N 3.38Å; D97-T103 HydrophobicContact CB-CG2 4.44Å; D97-T103 PolarHBondContact N-OG1 2.82Å; D97-T103 PolarHBondContact O-OG1 2.99Å; D97-K130 WeakPolarHBondContact OD2-CD 3.19Å; D97-K130 VanDerWaalsContact OD2-CE 3.28Å; D97-K130 WeakPolarHBondContact OD2-CE 3.48Å; D97-K130 IonicContact OD2-NZ 3.33Å; D97-K130 PolarHBondContact OD2-NZ 3.46Å
98	I	98.7	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.2	-177.3	67	150.2	0	0	0	113.7	Y96 N129 K130 C131 R137 T138 V139	Y96-I98 HydrophobicContact CE2-CB 4.44Å; Y96-I98 HydrophobicContact CE2-CG2 3.9Å; I98-N129 WeakPolarHBondContact CG1-O 3.32Å; I98-N129 WeakPolarHBondContact CG2-O 3.37Å; I98-N129 PolarHBondContact N-O 2.94Å; I98-K130 WeakPolarHBondContact CD1-O 3.26Å; I98-K130 WeakPolarHBondContact CG1-O 3.39Å; I98-C131 HydrophobicContact CD1-CB 4.41Å; I98-R137 HydrophobicContact CD1-CB 4.34Å; I98-R137 HydrophobicContact CD1-CG 4.48Å; I98-T138 PolarHBondContact O-N 3.32Å; I98-V139 PolarHBondContact O-N 3.04Å
99	T	98.4	Very high	97.5	Very high	26 Å²	26	35.7 Å²	35.7	16%	0.16	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.5	178.9	72.8	0	0	0	0	112.2	D97 L133 L136 T138	D97-T99 VanDerWaalsContact CG-OG1 3.28Å; D97-T99 PolarHBondContact O-N 2.88Å; D97-T99 WeakPolarHBondContact OD1-CB 3.38Å; D97-T99 PolarHBondContact OD1-N 2.88Å; D97-T99 PolarHBondContact OD1-OG1 3.19Å; D97-T99 PolarHBondContact OD2-OG1 3.38Å; T99-L133 HydrophobicContact CG2-CB 3.53Å; T99-L133 HydrophobicContact CG2-CD1 4Å; T99-L133 HydrophobicContact CG2-CG 4.42Å; T99-L136 WeakPolarHBondContact CA-O 3.43Å; T99-L136 HydrophobicContact CG2-CB 3.88Å; T99-T138 VanDerWaalsContact O-CG2 3.29Å; T99-T138 WeakPolarHBondContact O-CG2 3.5Å; T99-T138 PolarHBondContact O-OG1 3.02Å
100	K	97.9	Very high	97.6	Very high	102 Å²	102	35.7 Å²	35.7	44%	0.443	17%	0.171	S	C	.	.			trans	-124.7	94.3	-176.4	-61.9	-179.3	-178.1	-176	0	111.9	D97 E102 T103 T138	D97-K100 HydrophobicContact CB-CB 4.18Å; D97-K100 HydrophobicContact CB-CD 4.43Å; D97-K100 HydrophobicContact CB-CG 4.4Å; D97-K100 CarbonylContact O-C 3.6Å; D97-K100 PolarHBondContact O-N 3.38Å; K100-E102 PolarHBondContact O-N 3.27Å; K100-E102 VanDerWaalsContact O-N 3.1Å; K100-T103 HydrophobicContact CB-CG2 3.82Å; K100-T103 HydrophobicContact CD-CG2 4.27Å; K100-T103 PolarHBondContact O-N 2.9Å; K100-T103 PolarHBondContact O-OG1 3.35Å; K100-T138 PolarHBondContact N-OG1 2.92Å
101	R	98.2	Very high	97.6	Very high	80 Å²	80	34 Å²	34	30%	0.302	16%	0.161	S	C	.	.	H	α-helix	trans	-51.4	-34.2	177.1	-179.4	62.7	71.2	162	10.9	114	T103 F104 N105 T138 V139 D143	R101-T103 VanDerWaalsContact C-N 3.3Å; R101-T103 PolarHBondContact O-N 2.92Å; R101-F104 WeakPolarHBondContact O-CB 3.42Å; R101-F104 PolarHBondContact O-N 3.33Å; R101-F104 VanDerWaalsContact O-N 3.1Å; R101-N105 PolarHBondContact O-N 3.3Å; R101-N105 PolarHBondContact O-OD1 3.17Å; R101-T138 VanDerWaalsContact CZ-O 3.24Å; R101-T138 PolarHBondContact N-OG1 2.89Å; R101-T138 PolarHBondContact NE-O 3.02Å; R101-T138 PolarHBondContact NH2-O 2.97Å; R101-V139 HydrophobicContact CB-CG2 4.34Å; R101-D143 IonicContact CZ-OD2 2.7Å; R101-D143 IonicContact NH1-OD2 3.02Å; R101-D143 PolarHBondContact NH1-OD2 2.84Å; R101-D143 IonicContact NH2-OD2 3.72Å; R101-D143 PolarHBondContact NH2-OD2 3.26Å
102	E	98	Very high	97.4	Very high	139 Å²	139	38.6 Å²	38.6	65%	0.65	19%	0.185	S	C	*	.	H	α-helix	trans	-57.2	-42.3	176.2	-173.4	179.5	-179.1	0	0	112.5	K100 F104 N105 N106	K100-E102 PolarHBondContact O-N 3.27Å; K100-E102 VanDerWaalsContact O-N 3.1Å; E102-F104 PolarHBondContact O-N 3.3Å; E102-N105 WeakPolarHBondContact O-CB 3.13Å; E102-N105 PolarHBondContact O-N 2.74Å; E102-N106 PolarHBondContact O-N 3.3Å; E102-N106 PolarHBondContact O-ND2 2.82Å
103	T	98	Very high	97.1	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	19%	0.19	C	C	.	.	H	α-helix	trans	-66.2	-25	179.3	69.9	0	0	0	0	112.8	D24 V27 D97 K100 R101	D24-T103 HydrophobicContact CB-CG2 4.03Å; D24-T103 WeakPolarHBondContact OD2-CA 3.17Å; V27-T103 HydrophobicContact CG1-CG2 3.77Å; D97-T103 HydrophobicContact CB-CG2 4.44Å; D97-T103 PolarHBondContact N-OG1 2.82Å; D97-T103 PolarHBondContact O-OG1 2.99Å; K100-T103 HydrophobicContact CB-CG2 3.82Å; K100-T103 HydrophobicContact CD-CG2 4.27Å; K100-T103 PolarHBondContact O-N 2.9Å; K100-T103 PolarHBondContact O-OG1 3.35Å; R101-T103 VanDerWaalsContact C-N 3.3Å; R101-T103 PolarHBondContact O-N 2.92Å
104	F	98.8	Very high	96.8	Very high	17 Å²	17	39.6 Å²	39.6	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-78.1	-41.5	171.7	-179.3	-94.1	0	0	0	111.6	Y96 R101 E102 N106 L107 L126 V139 A144 W147	Y96-F104 HydrophobicContact CD1-CD2 4.24Å; Y96-F104 HydrophobicContact CD2-CB 3.9Å; Y96-F104 AromaticContact CD2-CD2 3.95Å; Y96-F104 HydrophobicContact CD2-CD2 3.95Å; Y96-F104 HydrophobicContact CD2-CG 4.42Å; Y96-F104 HydrophobicContact CE1-CD2 4.16Å; Y96-F104 HydrophobicContact CE2-CB 4.41Å; Y96-F104 AromaticContact CE2-CD2 3.88Å; Y96-F104 HydrophobicContact CE2-CD2 3.88Å; Y96-F104 HydrophobicContact CG-CB 4.35Å; Y96-F104 HydrophobicContact CG-CD2 4.13Å; R101-F104 WeakPolarHBondContact O-CB 3.42Å; R101-F104 PolarHBondContact O-N 3.33Å; R101-F104 VanDerWaalsContact O-N 3.1Å; E102-F104 PolarHBondContact O-N 3.3Å; F104-N106 PolarHBondContact O-N 2.86Å; F104-L107 HydrophobicContact CB-CD1 4.33Å; F104-L107 HydrophobicContact CD2-CD1 3.3Å; F104-L107 HydrophobicContact CE2-CD1 3.64Å; F104-L107 HydrophobicContact CG-CD1 3.91Å; F104-L107 WeakPolarHBondContact O-CB 3.33Å; F104-L107 VanDerWaalsContact O-CD1 3.31Å; F104-L107 WeakPolarHBondContact O-CD1 3.31Å; F104-L107 WeakPolarHBondContact O-CG 3.21Å; F104-L107 PolarHBondContact O-N 3.23Å; F104-L107 VanDerWaalsContact O-N 3.11Å; F104-L126 HydrophobicContact CE2-CD2 4.46Å; F104-V139 HydrophobicContact CB-CG1 4.36Å; F104-V139 HydrophobicContact CB-CG2 3.76Å; F104-V139 HydrophobicContact CD1-CG1 4.33Å; F104-V139 HydrophobicContact CD2-CG1 3.74Å; F104-V139 HydrophobicContact CE2-CG1 4.09Å; F104-V139 HydrophobicContact CG-CG1 3.87Å; F104-V139 HydrophobicContact CG-CG2 4.16Å; F104-V139 HydrophobicContact CZ-CG1 4.5Å; F104-A144 HydrophobicContact CD2-CB 4.41Å; F104-A144 HydrophobicContact CE2-CB 3.68Å; F104-A144 HydrophobicContact CZ-CB 4.38Å; F104-W147 HydrophobicContact CE2-CB 4.32Å; F104-W147 HydrophobicContact CE2-CG 4.43Å; F104-W147 HydrophobicContact CZ-CB 3.72Å; F104-W147 AromaticContact CZ-CG 3.85Å; F104-W147 HydrophobicContact CZ-CG 3.85Å
105	N	98.2	Very high	96.5	Very high	102 Å²	102	45.8 Å²	45.8	55%	0.545	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-32.5	177.7	-64.2	-11.6	0	0	0	112	R101 E102 L107	R101-N105 PolarHBondContact O-N 3.3Å; R101-N105 PolarHBondContact O-OD1 3.17Å; E102-N105 WeakPolarHBondContact O-CB 3.13Å; E102-N105 PolarHBondContact O-N 2.74Å; N105-L107 PolarHBondContact O-N 2.65Å
106	N	97.1	Very high	96.2	Very high	53 Å²	53	51.4 Å²	51.4	28%	0.283	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.2	178.4	-68.2	-21.4	0	0	0	114	D24 E102 F104 E108 H109 W110	D24-N106 PolarHBondContact OD2-ND2 2.98Å; E102-N106 PolarHBondContact O-N 3.3Å; E102-N106 PolarHBondContact O-ND2 2.82Å; F104-N106 PolarHBondContact O-N 2.86Å; N106-E108 VanDerWaalsContact C-N 3.28Å; N106-E108 PolarHBondContact O-N 2.93Å; N106-H109 WeakPolarHBondContact O-CB 3.41Å; N106-H109 PolarHBondContact O-N 3.23Å; N106-H109 VanDerWaalsContact O-N 3.16Å; N106-W110 VanDerWaalsContact O-CD1 3.27Å; N106-W110 PolarHBondContact O-N 3.37Å
107	L	97.9	Very high	95.7	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-59.2	-37	-179.1	-70.9	171.1	0	0	0	113.2	L94 Y96 F104 N105 H109 W110 L111 L126 W147	L94-L107 HydrophobicContact CD1-CD2 3.68Å; L94-L107 HydrophobicContact CD2-CB 4.43Å; L94-L107 HydrophobicContact CD2-CD2 3.81Å; L94-L107 HydrophobicContact CG-CD2 3.49Å; L94-L107 VanDerWaalsContact CG-CD2 3.49Å; Y96-L107 HydrophobicContact CD1-CD1 4.11Å; Y96-L107 HydrophobicContact CG-CD1 4.33Å; F104-L107 HydrophobicContact CB-CD1 4.33Å; F104-L107 HydrophobicContact CD2-CD1 3.3Å; F104-L107 HydrophobicContact CE2-CD1 3.64Å; F104-L107 HydrophobicContact CG-CD1 3.91Å; F104-L107 WeakPolarHBondContact O-CB 3.33Å; F104-L107 VanDerWaalsContact O-CD1 3.31Å; F104-L107 WeakPolarHBondContact O-CD1 3.31Å; F104-L107 WeakPolarHBondContact O-CG 3.21Å; F104-L107 PolarHBondContact O-N 3.23Å; F104-L107 VanDerWaalsContact O-N 3.11Å; N105-L107 PolarHBondContact O-N 2.65Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 3.31Å; L107-W110 PolarHBondContact O-N 3.11Å; L107-L111 WeakPolarHBondContact O-CB 3.17Å; L107-L111 PolarHBondContact O-N 3.02Å; L107-L126 HydrophobicContact CD1-CD1 3.54Å; L107-L126 HydrophobicContact CD2-CD1 3.72Å; L107-L126 HydrophobicContact CG-CD1 4.29Å; L107-W147 HydrophobicContact CB-CH2 3.68Å; L107-W147 HydrophobicContact CB-CZ2 3.71Å; L107-W147 HydrophobicContact CB-CZ3 4.29Å; L107-W147 HydrophobicContact CD1-CE3 4.43Å; L107-W147 HydrophobicContact CD1-CZ3 4.35Å
108	E	96.8	Very high	95.1	Very high	101 Å²	101	55.9 Å²	55.9	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-56.7	-44.5	177.8	-165.1	69.3	-142.9	0	0	110.9	N106 L112 H151	N106-E108 VanDerWaalsContact C-N 3.28Å; N106-E108 PolarHBondContact O-N 2.93Å; E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.36Å; E108-L112 PolarHBondContact O-N 2.81Å; E108-H151 IonicContact OE1-NE2 2.91Å; E108-H151 IonicContact OE2-CE1 3.67Å; E108-H151 IonicContact OE2-NE2 3.93Å; E108-H151 PolarHBondContact OE2-NE2 3.44Å
109	H	93.8	Very high	94.1	Very high	78 Å²	78	63.8 Å²	63.8	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-64.5	-48.8	177.9	179.2	-67.7	0	0	0	111.3	R79 N106 L107 L111 L112 E113	R79-H109 PolarHBondContact NH1-CE1 3.47Å; R79-H109 PolarHBondContact NH1-NE2 2.92Å; R79-H109 PolarHBondContact NH2-CE1 2.96Å; R79-H109 VanDerWaalsContact NH2-CE1 3.3Å; R79-H109 PolarHBondContact NH2-ND1 2.85Å; N106-H109 WeakPolarHBondContact O-CB 3.41Å; N106-H109 PolarHBondContact O-N 3.23Å; N106-H109 VanDerWaalsContact O-N 3.16Å; L107-H109 VanDerWaalsContact C-N 3.26Å; L107-H109 PolarHBondContact O-N 3.31Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-L111 PolarHBondContact O-N 2.84Å; H109-L112 PolarHBondContact O-N 2.77Å; H109-E113 IonicContact CE1-OE2 3.31Å; H109-E113 PolarHBondContact CE1-OE2 3.08Å; H109-E113 IonicContact ND1-OE2 3.88Å; H109-E113 WeakPolarHBondContact O-CB 3.07Å; H109-E113 PolarHBondContact O-N 3.44Å
110	W	94.5	Very high	93.1	Very high	1 Å²	1	68.4 Å²	68.4	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-40.5	-179.4	-76.4	109.9	0	0	0	112.5	I22 G23 D24 T82 L94 N106 L107 E113 L114	I22-W110 HydrophobicContact CB-CE3 4.28Å; I22-W110 HydrophobicContact CD1-CB 4.43Å; G23-W110 VanDerWaalsContact C-CE2 3.45Å; G23-W110 WeakPolarHBondContact O-CZ2 3.43Å; D24-W110 PolarHBondContact OD1-NE1 3.29Å; T82-W110 HydrophobicContact CG2-CZ3 4.47Å; L94-W110 HydrophobicContact CD1-CB 3.54Å; L94-W110 HydrophobicContact CD1-CG 4.36Å; N106-W110 VanDerWaalsContact O-CD1 3.27Å; N106-W110 PolarHBondContact O-N 3.37Å; L107-W110 PolarHBondContact O-N 3.11Å; W110-E113 PolarHBondContact O-N 3.45Å; W110-L114 WeakPolarHBondContact O-CB 3.36Å; W110-L114 PolarHBondContact O-N 2.91Å
111	L	95.3	Very high	92.5	Very high	2 Å²	2	72 Å²	72	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-67.2	-42.7	177.7	-177.2	62.4	0	0	0	111.7	L94 L107 H109 L114 R115 V124 W147 H151 L153	L94-L111 HydrophobicContact CD2-CB 4.12Å; L94-L111 HydrophobicContact CD2-CD1 4.48Å; L107-L111 WeakPolarHBondContact O-CB 3.17Å; L107-L111 PolarHBondContact O-N 3.02Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-L111 PolarHBondContact O-N 2.84Å; L111-L114 PolarHBondContact O-N 3.33Å; L111-R115 HydrophobicContact CD1-CG 4.41Å; L111-R115 WeakPolarHBondContact O-CB 3.32Å; L111-R115 WeakPolarHBondContact O-CG 3.38Å; L111-R115 PolarHBondContact O-N 2.94Å; L111-V124 HydrophobicContact CD1-CG1 4.45Å; L111-W147 HydrophobicContact CB-CH2 4.38Å; L111-W147 HydrophobicContact CD2-CH2 3.82Å; L111-W147 HydrophobicContact CD2-CZ2 4.46Å; L111-H151 HydrophobicContact CD2-CB 3.84Å; L111-L153 HydrophobicContact CD1-CD1 4.37Å; L111-L153 HydrophobicContact CD1-CD2 4.15Å; L111-L153 HydrophobicContact CD2-CD1 4.18Å
112	L	93.5	Very high	92.1	Very high	97 Å²	97	69.9 Å²	69.9	51%	0.508	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-44.6	175.7	-179.6	62.7	0	0	0	111.3	E108 H109 L114 R115 N116	E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.36Å; E108-L112 PolarHBondContact O-N 2.81Å; H109-L112 PolarHBondContact O-N 2.77Å; L112-L114 PolarHBondContact O-N 2.88Å; L112-R115 PolarHBondContact O-N 2.81Å; L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 PolarHBondContact O-N 3.24Å; L112-N116 PolarHBondContact O-ND2 3.21Å
113	E	91.4	Very high	92	Very high	21 Å²	21	64.3 Å²	64.3	10%	0.098	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-46.7	176.8	-167.1	-169.7	110.7	0	0	111.2	R79 Y86 H109 W110 N116 N117	R79-E113 WeakPolarHBondContact CD-OE2 3.4Å; R79-E113 WeakPolarHBondContact CG-OE2 3.42Å; R79-E113 IonicContact NE-OE2 2.71Å; Y86-E113 HydrophobicContact CE2-CG 4.04Å; Y86-E113 VanDerWaalsContact CE2-OE1 3.29Å; Y86-E113 WeakPolarHBondContact CE2-OE1 3.32Å; Y86-E113 PolarHBondContact OH-OE1 3.34Å; H109-E113 IonicContact CE1-OE2 3.31Å; H109-E113 PolarHBondContact CE1-OE2 3.08Å; H109-E113 IonicContact ND1-OE2 3.88Å; H109-E113 WeakPolarHBondContact O-CB 3.07Å; H109-E113 PolarHBondContact O-N 3.44Å; W110-E113 PolarHBondContact O-N 3.45Å; E113-N116 PolarHBondContact O-N 3.37Å; E113-N117 PolarHBondContact O-N 3.15Å; E113-N117 PolarHBondContact O-ND2 3.06Å
114	L	92.2	Very high	92	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-58.1	-52.5	176	-180	69	0	0	0	111.2	V20 I22 Y86 A92 W110 L111 L112 N116 N117 V118 M122 V124	V20-L114 HydrophobicContact CG2-CD1 4.12Å; I22-L114 HydrophobicContact CD1-CB 3.88Å; I22-L114 HydrophobicContact CD1-CD1 4.31Å; I22-L114 HydrophobicContact CD1-CD2 3.76Å; I22-L114 HydrophobicContact CD1-CG 4.2Å; Y86-L114 HydrophobicContact CD1-CD1 4.03Å; Y86-L114 HydrophobicContact CD2-CD1 4.41Å; Y86-L114 HydrophobicContact CE1-CD1 4.36Å; Y86-L114 HydrophobicContact CG-CD1 4.06Å; A92-L114 HydrophobicContact CB-CD1 4.36Å; A92-L114 HydrophobicContact CB-CD2 3.64Å; W110-L114 WeakPolarHBondContact O-CB 3.36Å; W110-L114 PolarHBondContact O-N 2.91Å; L111-L114 PolarHBondContact O-N 3.33Å; L112-L114 PolarHBondContact O-N 2.88Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.36Å; L114-N117 PolarHBondContact O-N 3.17Å; L114-N117 VanDerWaalsContact O-N 3.09Å; L114-V118 HydrophobicContact CD1-CG2 3.91Å; L114-V118 HydrophobicContact CG-CG2 4.36Å; L114-V118 VanDerWaalsContact O-CG2 3.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 3.03Å; L114-M122 HydrophobicContact CD1-CE 4.18Å; L114-M122 HydrophobicContact CD1-SD 3.86Å; L114-M122 HydrophobicContact CD2-SD 3.6Å; L114-M122 HydrophobicContact CG-SD 3.8Å; L114-V124 HydrophobicContact CD2-CG1 4.41Å; L114-V124 HydrophobicContact CD2-CG2 4.05Å
115	R	92.2	Very high	92	Very high	131 Å²	131	63.8 Å²	63.8	49%	0.494	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-32.8	-177.5	-75	177.6	171.4	170	-1.5	113.3	L111 L112 N117 H151	L111-R115 HydrophobicContact CD1-CG 4.41Å; L111-R115 WeakPolarHBondContact O-CB 3.32Å; L111-R115 WeakPolarHBondContact O-CG 3.38Å; L111-R115 PolarHBondContact O-N 2.94Å; L112-R115 PolarHBondContact O-N 2.81Å; R115-N117 VanDerWaalsContact C-N 3.25Å; R115-N117 PolarHBondContact O-N 3.37Å; R115-H151 PolarHBondContact NH2-O 3.29Å
116	N	91	Very high	92	Very high	117 Å²	117	58.9 Å²	58.9	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-74.5	-12.7	178.2	-72.7	-17.8	0	0	0	114	L112 E113 L114	L112-N116 WeakPolarHBondContact O-CB 3.49Å; L112-N116 PolarHBondContact O-N 3.24Å; L112-N116 PolarHBondContact O-ND2 3.21Å; E113-N116 PolarHBondContact O-N 3.37Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.36Å
117	N	88.7	Confident	92.1	Very high	71 Å²	71	56.4 Å²	56.4	38%	0.38	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	5.1	-170.8	-74.8	-81.7	0	0	0	113.6	Y86 E113 L114 R115	Y86-N117 HydrophobicContact CD2-CB 3.67Å; Y86-N117 HydrophobicContact CG-CB 4.47Å; E113-N117 PolarHBondContact O-N 3.15Å; E113-N117 PolarHBondContact O-ND2 3.06Å; L114-N117 PolarHBondContact O-N 3.17Å; L114-N117 VanDerWaalsContact O-N 3.09Å; R115-N117 VanDerWaalsContact C-N 3.25Å; R115-N117 PolarHBondContact O-N 3.37Å
118	V	87.2	Confident	92.2	Very high	24 Å²	24	56.4 Å²	56.4	15%	0.145	28%	0.28	C	S	.	.			trans	-114.9	135.1	176.5	-179.7	0	0	0	0	108.7	L114 L120 M122	L114-V118 HydrophobicContact CD1-CG2 3.91Å; L114-V118 HydrophobicContact CG-CG2 4.36Å; L114-V118 VanDerWaalsContact O-CG2 3.31Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 3.03Å; V118-L120 WeakPolarHBondContact CG1-O 3.35Å; V118-M122 HydrophobicContact CB-CE 4.31Å; V118-M122 HydrophobicContact CG1-CE 3.79Å; V118-M122 HydrophobicContact CG1-CG 4.31Å; V118-M122 HydrophobicContact CG1-SD 4.46Å; V118-M122 HydrophobicContact CG2-CE 3.62Å; V118-M122 HydrophobicContact CG2-SD 4.15Å
119	E	78	Confident	92.3	Very high	167 Å²	167	51.7 Å²	51.7	78%	0.78	26%	0.258	S	S	*	.	S	Bend	trans	-87.8	-18.8	-175.6	-65.5	172	-165.4	0	0	113.6
120	L	77.2	Confident	92.5	Very high	122 Å²	122	50.3 Å²	50.3	64%	0.639	25%	0.251	S	S	*	.	S	Bend	trans	-121.5	153.1	-173.9	-62.2	174.3	0	0	0	110.8	V118 M122	V118-L120 WeakPolarHBondContact CG1-O 3.35Å; L120-M122 PolarHBondContact O-N 3.04Å
121	D	84.1	Confident	92.7	Very high	178 Å²	178	51.3 Å²	51.3	95%	0.952	26%	0.258	S	S	*	.			trans	-60	124.5	166.8	-73.3	-30.1	0	0	0	109.2
122	M	90.8	Very high	92.8	Very high	36 Å²	36	53.2 Å²	53.2	18%	0.177	27%	0.268	C	S	.	.			trans	-119.3	152.8	-179.8	55.8	158.4	38.8	0	0	111.3	A89 V90 A92 L114 V118 L120 V124	A89-M122 HydrophobicContact CB-CE 3.54Å; A89-M122 WeakPolarHBondContact O-CE 3.24Å; V90-M122 WeakPolarHBondContact O-CB 3.49Å; A92-M122 HydrophobicContact CB-SD 4Å; L114-M122 HydrophobicContact CD1-CE 4.18Å; L114-M122 HydrophobicContact CD1-SD 3.86Å; L114-M122 HydrophobicContact CD2-SD 3.6Å; L114-M122 HydrophobicContact CG-SD 3.8Å; V118-M122 HydrophobicContact CB-CE 4.31Å; V118-M122 HydrophobicContact CG1-CE 3.79Å; V118-M122 HydrophobicContact CG1-CG 4.31Å; V118-M122 HydrophobicContact CG1-SD 4.46Å; V118-M122 HydrophobicContact CG2-CE 3.62Å; V118-M122 HydrophobicContact CG2-SD 4.15Å; L120-M122 PolarHBondContact O-N 3.04Å; M122-V124 HydrophobicContact CG-CG2 3.81Å; M122-V124 PolarHBondContact O-N 3.27Å; M122-V124 HydrophobicContact SD-CG2 3.76Å
123	V	96.1	Very high	93	Very high	21 Å²	21	51.1 Å²	51.1	13%	0.127	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.6	173.4	-178.1	0	0	0	0	108.9	V90 G91 A92 F154 I173 T176 I177	V90-V123 PolarHBondContact O-N 3.14Å; V90-V123 VanDerWaalsContact O-N 3.09Å; G91-V123 CarbonylContact C-O 3.59Å; G91-V123 WeakPolarHBondContact CA-O 3.24Å; A92-V123 PolarHBondContact N-O 2.98Å; V123-F154 HydrophobicContact CG1-CD2 3.96Å; V123-F154 HydrophobicContact CG1-CE2 3.79Å; V123-I173 HydrophobicContact CB-CG1 4.29Å; V123-I173 HydrophobicContact CG1-CG1 3.85Å; V123-T176 HydrophobicContact CG1-CG2 3.79Å; V123-T176 HydrophobicContact CG2-CG2 3.9Å; V123-I177 HydrophobicContact CB-CG1 3.76Å; V123-I177 HydrophobicContact CG2-CB 4.48Å; V123-I177 HydrophobicContact CG2-CG1 3.64Å
124	V	97.7	Very high	93.3	Very high	14 Å²	14	59.5 Å²	59.5	9%	0.085	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.9	-180	-174.5	0	0	0	0	110.2	A92 L94 L111 L114 M122 L153 F154	A92-V124 HydrophobicContact CB-CG1 4.33Å; A92-V124 HydrophobicContact CB-CG2 4.28Å; A92-V124 WeakPolarHBondContact O-CA 3.3Å; L94-V124 HydrophobicContact CB-CG1 4.39Å; L111-V124 HydrophobicContact CD1-CG1 4.45Å; L114-V124 HydrophobicContact CD2-CG1 4.41Å; L114-V124 HydrophobicContact CD2-CG2 4.05Å; M122-V124 HydrophobicContact CG-CG2 3.81Å; M122-V124 PolarHBondContact O-N 3.27Å; M122-V124 HydrophobicContact SD-CG2 3.76Å; V124-L153 HydrophobicContact CB-CD2 3.74Å; V124-L153 HydrophobicContact CG1-CD1 4.35Å; V124-L153 HydrophobicContact CG1-CD2 3.86Å; V124-F154 PolarHBondContact O-N 2.82Å; V124-F154 VanDerWaalsContact O-N 3.1Å
125	M	98.6	Very high	93.5	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.5	174.9	-179.9	177.6	-71.6	0	0	110.4	A92 L93 L94 V127 F154 M156 A169 Y172 I173	A92-M125 PolarHBondContact O-N 2.91Å; L93-M125 HydrophobicContact CD2-CB 3.81Å; L93-M125 HydrophobicContact CD2-CG 4.33Å; L93-M125 HydrophobicContact CD2-SD 4.2Å; L94-M125 PolarHBondContact N-O 3.23Å; M125-V127 HydrophobicContact CG-CG2 4.04Å; M125-V127 HydrophobicContact SD-CG2 4.26Å; M125-F154 CarbonylContact C-O 3.29Å; M125-F154 WeakPolarHBondContact CA-O 3.21Å; M125-F154 HydrophobicContact CB-CB 4.05Å; M125-F154 HydrophobicContact CE-CB 3.65Å; M125-F154 HydrophobicContact CE-CG 4.38Å; M125-F154 HydrophobicContact CG-CB 3.94Å; M125-M156 HydrophobicContact CE-CE 3.51Å; M125-M156 HydrophobicContact CE-CG 4.45Å; M125-M156 HydrophobicContact SD-CB 4.3Å; M125-M156 HydrophobicContact SD-CE 3.99Å; M125-M156 HydrophobicContact SD-CG 4.09Å; M125-M156 HydrophobicContact SD-SD 4.5Å; M125-A169 HydrophobicContact SD-CB 4.04Å; M125-Y172 HydrophobicContact CE-CD1 3.4Å; M125-Y172 VanDerWaalsContact CE-CD1 3.4Å; M125-Y172 HydrophobicContact CE-CE1 4.15Å; M125-Y172 HydrophobicContact CE-CG 3.98Å; M125-I173 HydrophobicContact CB-CD1 4.36Å
126	L	98.8	Very high	93.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.3	164.9	-179.4	68	0	0	0	109.7	L94 Y96 F104 L107 A144 W147 A148 F154 F155 M156	L94-L126 HydrophobicContact CD2-CD1 4.37Å; L94-L126 HydrophobicContact CG-CD1 4.26Å; L94-L126 CarbonylContact O-C 3.48Å; L94-L126 WeakPolarHBondContact O-CA 3.41Å; Y96-L126 HydrophobicContact CD1-CD1 3.69Å; Y96-L126 HydrophobicContact CD1-CG 4.2Å; Y96-L126 HydrophobicContact CE1-CD1 3.95Å; Y96-L126 HydrophobicContact CE1-CD2 4.08Å; Y96-L126 HydrophobicContact CE1-CG 3.94Å; F104-L126 HydrophobicContact CE2-CD2 4.46Å; L107-L126 HydrophobicContact CD1-CD1 3.54Å; L107-L126 HydrophobicContact CD2-CD1 3.72Å; L107-L126 HydrophobicContact CG-CD1 4.29Å; L126-A144 HydrophobicContact CD2-CB 4.18Å; L126-A144 WeakPolarHBondContact CD2-O 3.18Å; L126-W147 HydrophobicContact CD1-CZ3 4.28Å; L126-W147 HydrophobicContact CD2-CE3 3.92Å; L126-W147 HydrophobicContact CD2-CZ3 4.4Å; L126-A148 HydrophobicContact CB-CB 4.07Å; L126-A148 HydrophobicContact CD2-CB 3.98Å; L126-F154 PolarHBondContact N-O 3.01Å; L126-F155 HydrophobicContact CB-CD2 4.11Å; L126-F155 HydrophobicContact CD2-CD2 3.78Å; L126-F155 HydrophobicContact CD2-CE2 4.16Å; L126-F155 HydrophobicContact CG-CD2 3.92Å; L126-F155 HydrophobicContact CG-CE2 4.4Å; L126-F155 WeakPolarHBondContact O-CA 3.47Å; L126-M156 PolarHBondContact O-N 2.87Å; L126-M156 VanDerWaalsContact O-N 3.08Å
127	V	98.9	Very high	94.2	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.7	179.6	-179.9	0	0	0	0	110.3	L32 L93 L94 V95 Y96 M125 N129 M156 T158	L32-V127 HydrophobicContact CD1-CG1 4.25Å; L93-V127 HydrophobicContact CB-CG2 4.2Å; L93-V127 HydrophobicContact CD1-CG2 4.49Å; L93-V127 HydrophobicContact CD2-CG2 4Å; L93-V127 HydrophobicContact CG-CG2 4.47Å; L94-V127 PolarHBondContact O-N 3Å; V95-V127 WeakPolarHBondContact CA-O 2.93Å; V95-V127 HydrophobicContact CG1-CB 4.49Å; V95-V127 HydrophobicContact CG1-CG1 4.47Å; V95-V127 HydrophobicContact CG2-CB 4.28Å; Y96-V127 WeakPolarHBondContact CD1-O 3.49Å; Y96-V127 PolarHBondContact N-O 3.23Å; M125-V127 HydrophobicContact CG-CG2 4.04Å; M125-V127 HydrophobicContact SD-CG2 4.26Å; V127-N129 PolarHBondContact O-N 3.32Å; V127-M156 WeakPolarHBondContact CA-O 3.22Å; V127-T158 HydrophobicContact CG1-CG2 3.68Å; V127-T158 VanDerWaalsContact CG1-OG1 3.26Å; V127-T158 WeakPolarHBondContact CG1-OG1 3.11Å
128	G	98.8	Very high	94.6	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	96.6	170.1	0	0	0	0	0	110.8	Y96 M156 E157 T158	Y96-G128 VanDerWaalsContact CZ-CA 3.45Å; G128-M156 PolarHBondContact N-O 3.4Å; G128-E157 CarbonylContact O-C 3.59Å; G128-E157 WeakPolarHBondContact O-CA 3.01Å; G128-E157 WeakPolarHBondContact O-CB 3.38Å; G128-T158 PolarHBondContact O-N 2.76Å
129	N	98.8	Very high	95.1	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	162.5	-176.3	-167.4	36.1	0	0	0	112.7	V27 L32 V95 Y96 I98 V127 T158 A160	V27-N129 PolarHBondContact O-ND2 2.99Å; L32-N129 HydrophobicContact CD1-CB 4.3Å; V95-N129 HydrophobicContact CG1-CB 3.85Å; Y96-N129 PolarHBondContact O-N 3.07Å; I98-N129 WeakPolarHBondContact CG1-O 3.32Å; I98-N129 WeakPolarHBondContact CG2-O 3.37Å; I98-N129 PolarHBondContact N-O 2.94Å; V127-N129 PolarHBondContact O-N 3.32Å; N129-T158 CarbonylContact C-O 3.39Å; N129-T158 WeakPolarHBondContact CA-O 3.47Å; N129-T158 PolarHBondContact OD1-O 2.73Å; N129-T158 PolarHBondContact OD1-OG1 2.89Å; N129-A160 PolarHBondContact OD1-N 3.47Å
130	K	98.3	Very high	96.1	Very high	48 Å²	48	56.9 Å²	56.9	21%	0.209	28%	0.278	C	S	.	.			trans	70.9	37.3	-178.3	-45.9	-171.8	-167.5	170.5	0	113.7	G26 V27 D97 I98 D132 L133 T158	G26-K130 WeakPolarHBondContact O-CE 3.41Å; G26-K130 PolarHBondContact O-NZ 2.98Å; V27-K130 WeakPolarHBondContact O-CE 3.35Å; D97-K130 WeakPolarHBondContact OD2-CD 3.19Å; D97-K130 VanDerWaalsContact OD2-CE 3.28Å; D97-K130 WeakPolarHBondContact OD2-CE 3.48Å; D97-K130 IonicContact OD2-NZ 3.33Å; D97-K130 PolarHBondContact OD2-NZ 3.46Å; I98-K130 WeakPolarHBondContact CD1-O 3.26Å; I98-K130 WeakPolarHBondContact CG1-O 3.39Å; K130-D132 VanDerWaalsContact C-OD1 3.28Å; K130-D132 VanDerWaalsContact CA-OD1 3.3Å; K130-D132 WeakPolarHBondContact CA-OD1 3.39Å; K130-D132 PolarHBondContact O-N 2.98Å; K130-L133 HydrophobicContact CB-CD1 4.24Å; K130-L133 HydrophobicContact CB-CG 4.47Å; K130-L133 HydrophobicContact CD-CD1 4.3Å; K130-L133 WeakPolarHBondContact O-CB 3.44Å; K130-L133 PolarHBondContact O-N 3.23Å; K130-T158 PolarHBondContact N-O 2.78Å
131	C	98.4	Very high	97.1	Very high	22 Å²	22	53.6 Å²	53.6	15%	0.149	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-65	-15.8	178.7	71.6	0	0	0	0	114.2	I98 L133 R134 E157 T158	I98-C131 HydrophobicContact CD1-CB 4.41Å; C131-L133 PolarHBondContact O-N 3.1Å; C131-R134 WeakPolarHBondContact O-CB 3.33Å; C131-R134 PolarHBondContact O-N 3.37Å; C131-E157 HydrophobicContact CB-CB 4.15Å; C131-T158 PolarHBondContact N-O 3.07Å; C131-T158 PolarHBondContact SG-O 3.12Å; C131-T158 VanDerWaalsContact SG-O 3.34Å
132	D	98.3	Very high	97.8	Very high	43 Å²	43	50.2 Å²	50.2	23%	0.23	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.7	166.1	54.8	-72.8	0	0	0	112.4	K130 R134 S159 E162	K130-D132 VanDerWaalsContact C-OD1 3.28Å; K130-D132 VanDerWaalsContact CA-OD1 3.3Å; K130-D132 WeakPolarHBondContact CA-OD1 3.39Å; K130-D132 PolarHBondContact O-N 2.98Å; D132-R134 PolarHBondContact O-N 2.98Å; D132-S159 WeakPolarHBondContact CB-OG 3.18Å; D132-S159 WeakPolarHBondContact OD1-CB 3.43Å; D132-S159 PolarHBondContact OD1-OG 3.37Å; D132-E162 HydrophobicContact CB-CG 3.73Å
133	L	97.6	Very high	98.1	Very high	53 Å²	53	51.8 Å²	51.8	28%	0.277	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-88.1	30.2	175.9	-56.8	-179.7	0	0	0	113.1	T99 K130 C131 H135 L136	T99-L133 HydrophobicContact CG2-CB 3.53Å; T99-L133 HydrophobicContact CG2-CD1 4Å; T99-L133 HydrophobicContact CG2-CG 4.42Å; K130-L133 HydrophobicContact CB-CD1 4.24Å; K130-L133 HydrophobicContact CB-CG 4.47Å; K130-L133 HydrophobicContact CD-CD1 4.3Å; K130-L133 WeakPolarHBondContact O-CB 3.44Å; K130-L133 PolarHBondContact O-N 3.23Å; C131-L133 PolarHBondContact O-N 3.1Å; L133-H135 PolarHBondContact O-N 3.37Å; L133-L136 PolarHBondContact O-N 2.99Å
134	R	96.8	Very high	98.2	Very high	196 Å²	196	50.8 Å²	50.8	74%	0.74	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-50.1	-28.3	-179.7	64.1	-172.8	-177.6	-155.6	-0.6	115.1	C131 D132 L136 R137	C131-R134 WeakPolarHBondContact O-CB 3.33Å; C131-R134 PolarHBondContact O-N 3.37Å; D132-R134 PolarHBondContact O-N 2.98Å; R134-L136 VanDerWaalsContact C-N 3.25Å; R134-L136 PolarHBondContact O-N 3.36Å; R134-R137 WeakPolarHBondContact O-CB 3.37Å; R134-R137 PolarHBondContact O-N 2.84Å
135	H	97.7	Very high	98.3	Very high	143 Å²	143	54.1 Å²	54.1	66%	0.662	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-71.7	-17.9	177.7	65.4	-79.5	0	0	0	113.5	L133	L133-H135 PolarHBondContact O-N 3.37Å
136	L	98.2	Very high	98.3	Very high	94 Å²	94	58.2 Å²	58.2	49%	0.492	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-104.9	11.4	174.1	-56.6	177	0	0	0	112.2	T99 L133 R134 T138	T99-L136 WeakPolarHBondContact CA-O 3.43Å; T99-L136 HydrophobicContact CG2-CB 3.88Å; L133-L136 PolarHBondContact O-N 2.99Å; R134-L136 VanDerWaalsContact C-N 3.25Å; R134-L136 PolarHBondContact O-N 3.36Å; L136-T138 PolarHBondContact O-N 3.26Å
137	R	98.6	Very high	98.3	Very high	50 Å²	50	59.8 Å²	59.8	19%	0.189	29%	0.285	C	S	.	.			trans	-57.9	127.2	-176.6	177.2	-179.2	-69.6	-85.9	6.6	110.9	I98 R134 V139 T141 E157	I98-R137 HydrophobicContact CD1-CB 4.34Å; I98-R137 HydrophobicContact CD1-CG 4.48Å; R134-R137 WeakPolarHBondContact O-CB 3.37Å; R134-R137 PolarHBondContact O-N 2.84Å; R137-V139 WeakPolarHBondContact CD-O 3.39Å; R137-V139 WeakPolarHBondContact CG-O 3.37Å; R137-V139 PolarHBondContact NH1-O 3.38Å; R137-T141 PolarHBondContact NH1-OG1 2.98Å; R137-T141 PolarHBondContact NH2-OG1 3.02Å; R137-E157 IonicContact CZ-OE1 3.22Å; R137-E157 VanDerWaalsContact CZ-OE1 3.28Å; R137-E157 IonicContact CZ-OE2 3.58Å; R137-E157 IonicContact NH1-OE1 3.53Å; R137-E157 PolarHBondContact NH1-OE1 3.33Å; R137-E157 IonicContact NH1-OE2 3.36Å; R137-E157 IonicContact NH2-OE1 2.94Å; R137-E157 PolarHBondContact NH2-OE1 2.82Å; R137-E157 IonicContact NH2-OE2 3.28Å; R137-E157 PolarHBondContact NH2-OE2 2.92Å
138	T	98.3	Very high	98.3	Very high	63 Å²	63	59.8 Å²	59.8	39%	0.387	29%	0.285	S	S	.	.			trans	-112.9	-13.2	171.6	58.9	0	0	0	0	112.7	I98 T99 K100 R101 L136	I98-T138 PolarHBondContact O-N 3.32Å; T99-T138 VanDerWaalsContact O-CG2 3.29Å; T99-T138 WeakPolarHBondContact O-CG2 3.5Å; T99-T138 PolarHBondContact O-OG1 3.02Å; K100-T138 PolarHBondContact N-OG1 2.92Å; R101-T138 VanDerWaalsContact CZ-O 3.24Å; R101-T138 PolarHBondContact N-OG1 2.89Å; R101-T138 PolarHBondContact NE-O 3.02Å; R101-T138 PolarHBondContact NH2-O 2.97Å; L136-T138 PolarHBondContact O-N 3.26Å
139	V	98.3	Very high	98.2	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-112	116.1	175.4	-173.8	0	0	0	0	110.2	Y96 I98 R101 F104 R137 A144	Y96-V139 HydrophobicContact CD2-CG2 4.35Å; Y96-V139 HydrophobicContact CE2-CB 3.87Å; Y96-V139 HydrophobicContact CE2-CG1 3.75Å; Y96-V139 HydrophobicContact CE2-CG2 4.03Å; I98-V139 PolarHBondContact O-N 3.04Å; R101-V139 HydrophobicContact CB-CG2 4.34Å; F104-V139 HydrophobicContact CB-CG1 4.36Å; F104-V139 HydrophobicContact CB-CG2 3.76Å; F104-V139 HydrophobicContact CD1-CG1 4.33Å; F104-V139 HydrophobicContact CD2-CG1 3.74Å; F104-V139 HydrophobicContact CE2-CG1 4.09Å; F104-V139 HydrophobicContact CG-CG1 3.87Å; F104-V139 HydrophobicContact CG-CG2 4.16Å; F104-V139 HydrophobicContact CZ-CG1 4.5Å; R137-V139 WeakPolarHBondContact CD-O 3.39Å; R137-V139 WeakPolarHBondContact CG-O 3.37Å; R137-V139 PolarHBondContact NH1-O 3.38Å; V139-A144 HydrophobicContact CG1-CB 4.25Å
140	Q	98	Very high	98.2	Very high	107 Å²	107	74.7 Å²	74.7	50%	0.5	35%	0.346	S	S	.	.			trans	-68.7	140.2	176.8	-61.2	-56.5	-30.7	0	0	110.2	E142 D143 A144	Q140-E142 PolarHBondContact O-N 3.01Å; Q140-D143 HydrophobicContact CB-CB 4.42Å; Q140-D143 WeakPolarHBondContact O-CB 3.48Å; Q140-D143 PolarHBondContact O-N 3.31Å; Q140-D143 VanDerWaalsContact O-N 3.15Å; Q140-A144 PolarHBondContact O-N 2.88Å
141	T	98.3	Very high	98.2	Very high	53 Å²	53	73.8 Å²	73.8	33%	0.325	34%	0.343	S	S	.	.	H	α-helix	trans	-57.2	-37.9	179.6	-55.7	0	0	0	0	111.2	R137 A144 K145 F155 E157	R137-T141 PolarHBondContact NH1-OG1 2.98Å; R137-T141 PolarHBondContact NH2-OG1 3.02Å; T141-A144 PolarHBondContact O-N 2.71Å; T141-K145 WeakPolarHBondContact O-CB 3.41Å; T141-K145 PolarHBondContact O-N 2.73Å; T141-F155 HydrophobicContact CG2-CE1 3.72Å; T141-F155 HydrophobicContact CG2-CZ 4.03Å; T141-E157 WeakPolarHBondContact CB-OE1 3.39Å; T141-E157 HydrophobicContact CG2-CG 4.5Å; T141-E157 PolarHBondContact OG1-OE1 3.4Å
142	E	98.2	Very high	98.1	Very high	107 Å²	107	76 Å²	76	50%	0.5	37%	0.37	S	S	.	.	H	α-helix	trans	-67.7	-40.2	178.5	-159.1	61.4	-157	0	0	112.5	Q140 A144 K145 L146	Q140-E142 PolarHBondContact O-N 3.01Å; E142-A144 VanDerWaalsContact C-N 3.28Å; E142-A144 PolarHBondContact O-N 3.18Å; E142-K145 PolarHBondContact O-N 3.02Å; E142-L146 HydrophobicContact CG-CD1 4.3Å; E142-L146 WeakPolarHBondContact O-CB 3.04Å; E142-L146 VanDerWaalsContact O-CG 3.32Å; E142-L146 WeakPolarHBondContact O-CG 3.26Å; E142-L146 PolarHBondContact O-N 3.41Å
143	D	97.9	Very high	98.1	Very high	69 Å²	69	74.8 Å²	74.8	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-57.4	-45.5	174.7	-62.9	-15.1	0	0	0	110.6	R101 Q140 W147	R101-D143 IonicContact CZ-OD2 2.7Å; R101-D143 IonicContact NH1-OD2 3.02Å; R101-D143 PolarHBondContact NH1-OD2 2.84Å; R101-D143 IonicContact NH2-OD2 3.72Å; R101-D143 PolarHBondContact NH2-OD2 3.26Å; Q140-D143 HydrophobicContact CB-CB 4.42Å; Q140-D143 WeakPolarHBondContact O-CB 3.48Å; Q140-D143 PolarHBondContact O-N 3.31Å; Q140-D143 VanDerWaalsContact O-N 3.15Å; D143-W147 WeakPolarHBondContact O-CB 3.48Å; D143-W147 PolarHBondContact O-N 3.02Å
144	A	98.6	Very high	98.1	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-70.3	-39.1	-177.9	0	0	0	0	0	112.3	Y96 F104 L126 V139 Q140 T141 E142 W147 A148 F155	Y96-A144 HydrophobicContact CE1-CB 4.24Å; Y96-A144 WeakPolarHBondContact OH-CB 3.46Å; F104-A144 HydrophobicContact CD2-CB 4.41Å; F104-A144 HydrophobicContact CE2-CB 3.68Å; F104-A144 HydrophobicContact CZ-CB 4.38Å; L126-A144 HydrophobicContact CD2-CB 4.18Å; L126-A144 WeakPolarHBondContact CD2-O 3.18Å; V139-A144 HydrophobicContact CG1-CB 4.25Å; Q140-A144 PolarHBondContact O-N 2.88Å; T141-A144 PolarHBondContact O-N 2.71Å; E142-A144 VanDerWaalsContact C-N 3.28Å; E142-A144 PolarHBondContact O-N 3.18Å; A144-W147 PolarHBondContact O-N 2.7Å; A144-A148 PolarHBondContact O-N 3.24Å; A144-F155 HydrophobicContact CB-CD2 4.49Å; A144-F155 HydrophobicContact CB-CE2 3.72Å; A144-F155 HydrophobicContact CB-CZ 3.88Å
145	K	98.6	Very high	98.2	Very high	84 Å²	84	68.6 Å²	68.6	37%	0.365	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-48.5	175.3	-172.6	-178	173.5	-164.4	0	111.6	T141 E142 W147 A148 E149 F155	T141-K145 WeakPolarHBondContact O-CB 3.41Å; T141-K145 PolarHBondContact O-N 2.73Å; E142-K145 PolarHBondContact O-N 3.02Å; K145-W147 VanDerWaalsContact C-N 3.27Å; K145-W147 PolarHBondContact O-N 3.18Å; K145-A148 WeakPolarHBondContact O-CB 3.24Å; K145-A148 PolarHBondContact O-N 3.23Å; K145-A148 VanDerWaalsContact O-N 3.15Å; K145-E149 VanDerWaalsContact CE-OE1 3.26Å; K145-E149 WeakPolarHBondContact CE-OE1 3.37Å; K145-E149 WeakPolarHBondContact O-CG 3.17Å; K145-E149 PolarHBondContact O-N 2.94Å; K145-F155 HydrophobicContact CB-CD1 3.81Å; K145-F155 HydrophobicContact CB-CE1 4.05Å; K145-F155 HydrophobicContact CB-CG 4.48Å; K145-F155 HydrophobicContact CG-CD1 4.06Å
146	L	98.5	Very high	98.2	Very high	87 Å²	87	63.7 Å²	63.7	46%	0.455	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-37.3	175.8	-72.2	171.6	0	0	0	111.9	E142 R150	E142-L146 HydrophobicContact CG-CD1 4.3Å; E142-L146 WeakPolarHBondContact O-CB 3.04Å; E142-L146 VanDerWaalsContact O-CG 3.32Å; E142-L146 WeakPolarHBondContact O-CG 3.26Å; E142-L146 PolarHBondContact O-N 3.41Å; L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 PolarHBondContact O-N 3.22Å
147	W	98.6	Very high	98.2	Very high	32 Å²	32	61.2 Å²	61.2	12%	0.121	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-43.4	174.7	-172.1	98	0	0	0	111.8	L94 F104 L107 L111 L126 D143 A144 K145 R150 H151 L153	L94-W147 HydrophobicContact CD2-CH2 3.99Å; L94-W147 HydrophobicContact CD2-CZ3 4.1Å; F104-W147 HydrophobicContact CE2-CB 4.32Å; F104-W147 HydrophobicContact CE2-CG 4.43Å; F104-W147 HydrophobicContact CZ-CB 3.72Å; F104-W147 AromaticContact CZ-CG 3.85Å; F104-W147 HydrophobicContact CZ-CG 3.85Å; L107-W147 HydrophobicContact CB-CH2 3.68Å; L107-W147 HydrophobicContact CB-CZ2 3.71Å; L107-W147 HydrophobicContact CB-CZ3 4.29Å; L107-W147 HydrophobicContact CD1-CE3 4.43Å; L107-W147 HydrophobicContact CD1-CZ3 4.35Å; L111-W147 HydrophobicContact CB-CH2 4.38Å; L111-W147 HydrophobicContact CD2-CH2 3.82Å; L111-W147 HydrophobicContact CD2-CZ2 4.46Å; L126-W147 HydrophobicContact CD1-CZ3 4.28Å; L126-W147 HydrophobicContact CD2-CE3 3.92Å; L126-W147 HydrophobicContact CD2-CZ3 4.4Å; D143-W147 WeakPolarHBondContact O-CB 3.48Å; D143-W147 PolarHBondContact O-N 3.02Å; A144-W147 PolarHBondContact O-N 2.7Å; K145-W147 VanDerWaalsContact C-N 3.27Å; K145-W147 PolarHBondContact O-N 3.18Å; W147-R150 PolarHBondContact O-N 3.06Å; W147-H151 AromaticContact CD1-CE1 3.95Å; W147-H151 AromaticContact CD2-CE1 3.85Å; W147-H151 AromaticContact CD2-ND1 3.48Å; W147-H151 AromaticContact CE2-CE1 3.3Å; W147-H151 AromaticContact CE2-ND1 3.38Å; W147-H151 AromaticContact CE3-ND1 3.8Å; W147-H151 AromaticContact CG-ND1 3.99Å; W147-H151 AromaticContact CH2-ND1 3.96Å; W147-H151 AromaticContact CZ2-CE1 3.53Å; W147-H151 AromaticContact CZ2-ND1 3.62Å; W147-H151 AromaticContact NE1-CE1 3.36Å; W147-H151 PolarHBondContact NE1-CE1 2.85Å; W147-H151 AromaticContact NE1-ND1 3.8Å; W147-H151 PolarHBondContact O-N 3.34Å; W147-H151 PolarHBondContact O-ND1 3.23Å; W147-L153 HydrophobicContact CE3-CD1 4.39Å; W147-L153 HydrophobicContact CH2-CD1 4.25Å; W147-L153 HydrophobicContact CZ3-CD1 3.56Å
148	A	98.7	Very high	98.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-46.2	176.4	0	0	0	0	0	111.7	L126 A144 K145 R150 H151 G152 L153 F155	L126-A148 HydrophobicContact CB-CB 4.07Å; L126-A148 HydrophobicContact CD2-CB 3.98Å; A144-A148 PolarHBondContact O-N 3.24Å; K145-A148 WeakPolarHBondContact O-CB 3.24Å; K145-A148 PolarHBondContact O-N 3.23Å; K145-A148 VanDerWaalsContact O-N 3.15Å; A148-R150 PolarHBondContact O-N 2.94Å; A148-H151 CarbonylContact O-C 3.57Å; A148-H151 PolarHBondContact O-N 2.55Å; A148-H151 VanDerWaalsContact O-N 3.08Å; A148-G152 PolarHBondContact O-N 2.88Å; A148-L153 HydrophobicContact CB-CB 4.22Å; A148-L153 PolarHBondContact O-N 2.87Å; A148-F155 HydrophobicContact CB-CB 3.84Å
149	E	98.2	Very high	98.3	Very high	112 Å²	112	55.9 Å²	55.9	52%	0.523	28%	0.276	S	S	.	.	H	α-helix	trans	-58.5	-45.5	176.9	-73.1	174.5	-174.1	0	0	111.7	K145 H151 G152	K145-E149 VanDerWaalsContact CE-OE1 3.26Å; K145-E149 WeakPolarHBondContact CE-OE1 3.37Å; K145-E149 WeakPolarHBondContact O-CG 3.17Å; K145-E149 PolarHBondContact O-N 2.94Å; E149-H151 PolarHBondContact O-N 2.92Å; E149-G152 PolarHBondContact O-N 2.7Å; E149-G152 VanDerWaalsContact O-N 3.09Å
150	R	98.1	Very high	98.3	Very high	205 Å²	205	56 Å²	56	77%	0.774	28%	0.277	S	S	*	.	H	α-helix	trans	-58.1	-33.2	176.3	-176.2	-177.4	-62.8	-176.3	0.8	112.7	L146 W147 A148	L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 PolarHBondContact O-N 3.22Å; W147-R150 PolarHBondContact O-N 3.06Å; A148-R150 PolarHBondContact O-N 2.94Å
151	H	97.5	Very high	98.2	Very high	28 Å²	28	54.2 Å²	54.2	13%	0.13	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	0.9	-178.9	-70	93.3	0	0	0	113.8	E108 L111 R115 W147 A148 E149 L153	E108-H151 IonicContact OE1-NE2 2.91Å; E108-H151 IonicContact OE2-CE1 3.67Å; E108-H151 IonicContact OE2-NE2 3.93Å; E108-H151 PolarHBondContact OE2-NE2 3.44Å; L111-H151 HydrophobicContact CD2-CB 3.84Å; R115-H151 PolarHBondContact NH2-O 3.29Å; W147-H151 AromaticContact CD1-CE1 3.95Å; W147-H151 AromaticContact CD2-CE1 3.85Å; W147-H151 AromaticContact CD2-ND1 3.48Å; W147-H151 AromaticContact CE2-CE1 3.3Å; W147-H151 AromaticContact CE2-ND1 3.38Å; W147-H151 AromaticContact CE3-ND1 3.8Å; W147-H151 AromaticContact CG-ND1 3.99Å; W147-H151 AromaticContact CH2-ND1 3.96Å; W147-H151 AromaticContact CZ2-CE1 3.53Å; W147-H151 AromaticContact CZ2-ND1 3.62Å; W147-H151 AromaticContact NE1-CE1 3.36Å; W147-H151 PolarHBondContact NE1-CE1 2.85Å; W147-H151 AromaticContact NE1-ND1 3.8Å; W147-H151 PolarHBondContact O-N 3.34Å; W147-H151 PolarHBondContact O-ND1 3.23Å; A148-H151 CarbonylContact O-C 3.57Å; A148-H151 PolarHBondContact O-N 2.55Å; A148-H151 VanDerWaalsContact O-N 3.08Å; E149-H151 PolarHBondContact O-N 2.92Å; H151-L153 HydrophobicContact CB-CD1 3.96Å; H151-L153 HydrophobicContact CB-CD2 4.27Å; H151-L153 HydrophobicContact CB-CG 3.74Å; H151-L153 WeakPolarHBondContact O-CD2 3.49Å
152	G	96.3	Very high	98.2	Very high	70 Å²	70	57.7 Å²	57.7	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	34.2	-177.7	0	0	0	0	0	113.4	A148 E149	A148-G152 PolarHBondContact O-N 2.88Å; E149-G152 PolarHBondContact O-N 2.7Å; E149-G152 VanDerWaalsContact O-N 3.09Å
153	L	98.1	Very high	98.1	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.084	28%	0.275	C	S	.	.			trans	-108.8	152	-179	-39.6	177.8	0	0	0	110.6	L94 L111 V124 W147 A148 H151	L94-L153 HydrophobicContact CD2-CD1 4.34Å; L111-L153 HydrophobicContact CD1-CD1 4.37Å; L111-L153 HydrophobicContact CD1-CD2 4.15Å; L111-L153 HydrophobicContact CD2-CD1 4.18Å; V124-L153 HydrophobicContact CB-CD2 3.74Å; V124-L153 HydrophobicContact CG1-CD1 4.35Å; V124-L153 HydrophobicContact CG1-CD2 3.86Å; W147-L153 HydrophobicContact CE3-CD1 4.39Å; W147-L153 HydrophobicContact CH2-CD1 4.25Å; W147-L153 HydrophobicContact CZ3-CD1 3.56Å; A148-L153 HydrophobicContact CB-CB 4.22Å; A148-L153 PolarHBondContact O-N 2.87Å; H151-L153 HydrophobicContact CB-CD1 3.96Å; H151-L153 HydrophobicContact CB-CD2 4.27Å; H151-L153 HydrophobicContact CB-CG 3.74Å; H151-L153 WeakPolarHBondContact O-CD2 3.49Å
154	F	98.3	Very high	98.2	Very high	75 Å²	75	55 Å²	55	33%	0.329	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	161.9	164.4	-62.3	-76.7	0	0	0	110.6	V123 V124 M125 L126 Y172 T176	V123-F154 HydrophobicContact CG1-CD2 3.96Å; V123-F154 HydrophobicContact CG1-CE2 3.79Å; V124-F154 PolarHBondContact O-N 2.82Å; V124-F154 VanDerWaalsContact O-N 3.1Å; M125-F154 CarbonylContact C-O 3.29Å; M125-F154 WeakPolarHBondContact CA-O 3.21Å; M125-F154 HydrophobicContact CB-CB 4.05Å; M125-F154 HydrophobicContact CE-CB 3.65Å; M125-F154 HydrophobicContact CE-CG 4.38Å; M125-F154 HydrophobicContact CG-CB 3.94Å; L126-F154 PolarHBondContact N-O 3.01Å; F154-Y172 HydrophobicContact CB-CE1 4.41Å; F154-Y172 AromaticContact CD1-CE1 3.43Å; F154-Y172 HydrophobicContact CD1-CE1 3.43Å; F154-Y172 VanDerWaalsContact CD1-CE1 3.43Å; F154-Y172 AromaticContact CD1-CZ 3.9Å; F154-Y172 HydrophobicContact CD2-CE1 4.24Å; F154-Y172 AromaticContact CE1-CE1 3.63Å; F154-Y172 HydrophobicContact CE1-CE1 3.63Å; F154-Y172 AromaticContact CE1-CZ 3.93Å; F154-Y172 VanDerWaalsContact CE1-OH 3.31Å; F154-Y172 WeakPolarHBondContact CE1-OH 3.45Å; F154-Y172 HydrophobicContact CE2-CE1 4.42Å; F154-Y172 HydrophobicContact CG-CD1 4.47Å; F154-Y172 AromaticContact CG-CE1 3.76Å; F154-Y172 HydrophobicContact CG-CE1 3.76Å; F154-Y172 HydrophobicContact CZ-CE1 4.13Å; F154-T176 HydrophobicContact CE2-CG2 3.77Å; F154-T176 HydrophobicContact CZ-CG2 3.87Å
155	F	98.7	Very high	98.1	Very high	45 Å²	45	55.9 Å²	55.9	20%	0.197	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.1	178	173.9	-112.1	0	0	0	112	Y96 L126 T141 A144 K145 A148 E157	Y96-F155 HydrophobicContact CE1-CE2 4.36Å; L126-F155 HydrophobicContact CB-CD2 4.11Å; L126-F155 HydrophobicContact CD2-CD2 3.78Å; L126-F155 HydrophobicContact CD2-CE2 4.16Å; L126-F155 HydrophobicContact CG-CD2 3.92Å; L126-F155 HydrophobicContact CG-CE2 4.4Å; L126-F155 WeakPolarHBondContact O-CA 3.47Å; T141-F155 HydrophobicContact CG2-CE1 3.72Å; T141-F155 HydrophobicContact CG2-CZ 4.03Å; A144-F155 HydrophobicContact CB-CD2 4.49Å; A144-F155 HydrophobicContact CB-CE2 3.72Å; A144-F155 HydrophobicContact CB-CZ 3.88Å; K145-F155 HydrophobicContact CB-CD1 3.81Å; K145-F155 HydrophobicContact CB-CE1 4.05Å; K145-F155 HydrophobicContact CB-CG 4.48Å; K145-F155 HydrophobicContact CG-CD1 4.06Å; A148-F155 HydrophobicContact CB-CB 3.84Å; F155-E157 HydrophobicContact CE1-CG 4.3Å; F155-E157 HydrophobicContact CE2-CG 4.3Å; F155-E157 HydrophobicContact CZ-CG 3.63Å
156	M	98.6	Very high	98.1	Very high	40 Å²	40	51.9 Å²	51.9	20%	0.197	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	157.1	165.6	-69	-162.6	-141.2	0	0	110.9	M125 L126 V127 G128 N168 A169 Y172	M125-M156 HydrophobicContact CE-CE 3.51Å; M125-M156 HydrophobicContact CE-CG 4.45Å; M125-M156 HydrophobicContact SD-CB 4.3Å; M125-M156 HydrophobicContact SD-CE 3.99Å; M125-M156 HydrophobicContact SD-CG 4.09Å; M125-M156 HydrophobicContact SD-SD 4.5Å; L126-M156 PolarHBondContact O-N 2.87Å; L126-M156 VanDerWaalsContact O-N 3.08Å; V127-M156 WeakPolarHBondContact CA-O 3.22Å; G128-M156 PolarHBondContact N-O 3.4Å; M156-N168 HydrophobicContact SD-CB 4.09Å; M156-A169 HydrophobicContact SD-CB 4.23Å; M156-Y172 VanDerWaalsContact CE-CB 3.4Å; M156-Y172 HydrophobicContact CE-CD1 4.23Å; M156-Y172 HydrophobicContact CE-CD2 3.94Å; M156-Y172 HydrophobicContact CE-CG 3.6Å
157	E	98.7	Very high	98.1	Very high	42 Å²	42	54 Å²	54	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.8	164.3	-66.6	-169.7	164.9	0	0	110.8	G128 C131 R137 T141 F155	G128-E157 CarbonylContact O-C 3.59Å; G128-E157 WeakPolarHBondContact O-CA 3.01Å; G128-E157 WeakPolarHBondContact O-CB 3.38Å; C131-E157 HydrophobicContact CB-CB 4.15Å; R137-E157 IonicContact CZ-OE1 3.22Å; R137-E157 VanDerWaalsContact CZ-OE1 3.28Å; R137-E157 IonicContact CZ-OE2 3.58Å; R137-E157 IonicContact NH1-OE1 3.53Å; R137-E157 PolarHBondContact NH1-OE1 3.33Å; R137-E157 IonicContact NH1-OE2 3.36Å; R137-E157 IonicContact NH2-OE1 2.94Å; R137-E157 PolarHBondContact NH2-OE1 2.82Å; R137-E157 IonicContact NH2-OE2 3.28Å; R137-E157 PolarHBondContact NH2-OE2 2.92Å; T141-E157 WeakPolarHBondContact CB-OE1 3.39Å; T141-E157 HydrophobicContact CG2-CG 4.5Å; T141-E157 PolarHBondContact OG1-OE1 3.4Å; F155-E157 HydrophobicContact CE1-CG 4.3Å; F155-E157 HydrophobicContact CE2-CG 4.3Å; F155-E157 HydrophobicContact CZ-CG 3.63Å
158	T	98.8	Very high	98.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.5	-176.9	61.7	0	0	0	0	112	L32 V127 G128 N129 K130 C131 T164 A169	L32-T158 WeakPolarHBondContact CD2-OG1 3.42Å; V127-T158 HydrophobicContact CG1-CG2 3.68Å; V127-T158 VanDerWaalsContact CG1-OG1 3.26Å; V127-T158 WeakPolarHBondContact CG1-OG1 3.11Å; G128-T158 PolarHBondContact O-N 2.76Å; N129-T158 CarbonylContact C-O 3.39Å; N129-T158 WeakPolarHBondContact CA-O 3.47Å; N129-T158 PolarHBondContact OD1-O 2.73Å; N129-T158 PolarHBondContact OD1-OG1 2.89Å; K130-T158 PolarHBondContact N-O 2.78Å; C131-T158 PolarHBondContact N-O 3.07Å; C131-T158 PolarHBondContact SG-O 3.12Å; C131-T158 VanDerWaalsContact SG-O 3.34Å; T158-T164 CarbonylContact C-O 3.5Å; T158-T164 WeakPolarHBondContact CA-O 3.48Å; T158-A169 HydrophobicContact CG2-CB 4.1Å
159	S	98.5	Very high	98.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.299	C	S	.	.			trans	-127.8	113.9	161.3	176.2	0	0	0	0	108.7	D132 L161 E162 S163 T164 V166	D132-S159 WeakPolarHBondContact CB-OG 3.18Å; D132-S159 WeakPolarHBondContact OD1-CB 3.43Å; D132-S159 PolarHBondContact OD1-OG 3.37Å; S159-L161 PolarHBondContact O-N 2.94Å; S159-L161 PolarHBondContact OG-N 3.2Å; S159-E162 PolarHBondContact OG-N 2.95Å; S159-S163 CarbonylContact O-C 3.57Å; S159-S163 WeakPolarHBondContact O-CA 3.47Å; S159-S163 PolarHBondContact O-N 3.38Å; S159-T164 PolarHBondContact N-O 3.17Å; S159-T164 PolarHBondContact O-N 3.19Å; S159-T164 VanDerWaalsContact O-N 3.11Å; S159-V166 WeakPolarHBondContact O-CG2 3.33Å
160	A	97.9	Very high	98.1	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.017	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-28.3	170.1	0	0	0	0	0	112.2	N31 L32 R35 F41 N129	N31-A160 HydrophobicContact CB-CB 3.81Å; L32-A160 HydrophobicContact CD2-CB 4Å; L32-A160 HydrophobicContact CG-CB 4.3Å; R35-A160 PolarHBondContact NE-O 3.46Å; R35-A160 PolarHBondContact NH2-O 3.05Å; F41-A160 HydrophobicContact CD2-CB 3.94Å; F41-A160 HydrophobicContact CE2-CB 4.12Å; N129-A160 PolarHBondContact OD1-N 3.47Å
161	L	97.5	Very high	98.1	Very high	69 Å²	69	47.1 Å²	47.1	36%	0.361	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-57.9	178	174.9	60.7	0	0	0	110.4	R35 F41 S159 S163	R35-L161 PolarHBondContact NH2-O 3.09Å; R35-L161 VanDerWaalsContact NH2-O 3.12Å; F41-L161 HydrophobicContact CD1-CD1 3.76Å; F41-L161 HydrophobicContact CD2-CB 4.44Å; F41-L161 HydrophobicContact CE1-CB 4.37Å; F41-L161 HydrophobicContact CE1-CD1 3.61Å; F41-L161 HydrophobicContact CE2-CB 4.08Å; F41-L161 HydrophobicContact CG-CD1 4.41Å; F41-L161 HydrophobicContact CZ-CB 4.04Å; F41-L161 HydrophobicContact CZ-CD1 4.14Å; S159-L161 PolarHBondContact O-N 2.94Å; S159-L161 PolarHBondContact OG-N 3.2Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 2.92Å
162	E	97.5	Very high	98.1	Very high	126 Å²	126	50.7 Å²	50.7	59%	0.589	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	1.3	-176.3	-61	-60.1	150.2	0	0	113.3	D132 S159 T164	D132-E162 HydrophobicContact CB-CG 3.73Å; S159-E162 PolarHBondContact OG-N 2.95Å; E162-T164 PolarHBondContact O-N 3.06Å; E162-T164 VanDerWaalsContact O-N 3.1Å
163	S	97.1	Very high	98.2	Very high	47 Å²	47	47.3 Å²	47.3	33%	0.329	23%	0.234	S	C	.	.			trans	60.3	12.6	-173.5	-160.8	0	0	0	0	115.1	S159 L161 G165	S159-S163 CarbonylContact O-C 3.57Å; S159-S163 WeakPolarHBondContact O-CA 3.47Å; S159-S163 PolarHBondContact O-N 3.38Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 2.92Å; S163-G165 PolarHBondContact O-N 3.1Å
164	T	98.4	Very high	98.2	Very high	74 Å²	74	46.6 Å²	46.6	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	125	179.4	-58	0	0	0	0	110.9	T158 S159 E162 V166	T158-T164 CarbonylContact C-O 3.5Å; T158-T164 WeakPolarHBondContact CA-O 3.48Å; S159-T164 PolarHBondContact N-O 3.17Å; S159-T164 PolarHBondContact O-N 3.19Å; S159-T164 VanDerWaalsContact O-N 3.11Å; E162-T164 PolarHBondContact O-N 3.06Å; E162-T164 VanDerWaalsContact O-N 3.1Å; T164-V166 PolarHBondContact O-N 2.75Å
165	G	97.9	Very high	98.1	Very high	17 Å²	17	46.1 Å²	46.1	18%	0.175	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	-5.2	172	0	0	0	0	0	115.8	S163 N168 A169	S163-G165 PolarHBondContact O-N 3.1Å; G165-N168 PolarHBondContact O-N 2.88Å; G165-A169 WeakPolarHBondContact O-CB 3.36Å; G165-A169 PolarHBondContact O-N 2.86Å
166	V	98.5	Very high	98.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-63.1	-56.9	-175.3	-179.5	0	0	0	0	110.8	L32 R35 F36 S159 T164 N168 A169 F170	L32-V166 HydrophobicContact CD2-CG1 4.35Å; L32-V166 HydrophobicContact CD2-CG2 3.82Å; R35-V166 HydrophobicContact CB-CG1 4.24Å; R35-V166 HydrophobicContact CG-CB 4.24Å; R35-V166 HydrophobicContact CG-CG1 3.97Å; R35-V166 HydrophobicContact CG-CG2 4.06Å; F36-V166 HydrophobicContact CB-CG1 3.95Å; S159-V166 WeakPolarHBondContact O-CG2 3.33Å; T164-V166 PolarHBondContact O-N 2.75Å; V166-N168 VanDerWaalsContact C-N 3.27Å; V166-N168 PolarHBondContact O-N 2.99Å; V166-A169 PolarHBondContact O-N 3.32Å; V166-F170 HydrophobicContact CG1-CD2 4.08Å; V166-F170 HydrophobicContact CG1-CE2 4.1Å; V166-F170 WeakPolarHBondContact O-CD2 3.34Å; V166-F170 PolarHBondContact O-N 3.47Å
167	E	97.6	Very high	98	Very high	132 Å²	132	43.5 Å²	43.5	62%	0.617	22%	0.218	S	C	*	.	H	α-helix	trans	-58.8	-41	177.6	-68.7	-167.1	161.9	0	0	111.7	A169 F170 Y171	E167-A169 PolarHBondContact O-N 2.63Å; E167-F170 PolarHBondContact O-N 3.48Å; E167-Y171 WeakPolarHBondContact O-CB 3.5Å; E167-Y171 PolarHBondContact O-N 2.94Å
168	N	98.2	Very high	97.9	Very high	106 Å²	106	41.7 Å²	41.7	57%	0.567	21%	0.209	S	C	*	.	H	α-helix	trans	-61.3	-44.2	179.3	-66.9	-19	0	0	0	112.2	M156 G165 V166 Y172	M156-N168 HydrophobicContact SD-CB 4.09Å; G165-N168 PolarHBondContact O-N 2.88Å; V166-N168 VanDerWaalsContact C-N 3.27Å; V166-N168 PolarHBondContact O-N 2.99Å; N168-Y172 WeakPolarHBondContact O-CB 3.2Å; N168-Y172 PolarHBondContact O-N 3.11Å
169	A	98.6	Very high	97.7	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-48.2	179.9	0	0	0	0	0	111.6	M125 M156 T158 G165 V166 E167 I173	M125-A169 HydrophobicContact SD-CB 4.04Å; M156-A169 HydrophobicContact SD-CB 4.23Å; T158-A169 HydrophobicContact CG2-CB 4.1Å; G165-A169 WeakPolarHBondContact O-CB 3.36Å; G165-A169 PolarHBondContact O-N 2.86Å; V166-A169 PolarHBondContact O-N 3.32Å; E167-A169 PolarHBondContact O-N 2.63Å; A169-I173 PolarHBondContact O-N 3Å; A169-I173 VanDerWaalsContact O-N 3.13Å
170	F	98.5	Very high	97.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-41.7	178.7	-78.4	-79.2	0	0	0	112.6	L21 L32 F36 I69 L93 V166 E167 I173 L174	L21-F170 HydrophobicContact CD1-CZ 4.41Å; L21-F170 HydrophobicContact CD2-CE1 3.98Å; L21-F170 HydrophobicContact CD2-CZ 4.01Å; L32-F170 HydrophobicContact CB-CE2 4.34Å; F36-F170 HydrophobicContact CB-CD2 3.6Å; F36-F170 HydrophobicContact CB-CE2 3.62Å; F36-F170 HydrophobicContact CB-CG 4.23Å; F36-F170 HydrophobicContact CB-CZ 4.26Å; F36-F170 HydrophobicContact CD1-CB 4.09Å; F36-F170 AromaticContact CD1-CD1 3.81Å; F36-F170 HydrophobicContact CD1-CD1 3.81Å; F36-F170 AromaticContact CD1-CD2 3.96Å; F36-F170 HydrophobicContact CD1-CD2 3.96Å; F36-F170 HydrophobicContact CD1-CE1 4.2Å; F36-F170 HydrophobicContact CD1-CE2 4.34Å; F36-F170 AromaticContact CD1-CG 3.69Å; F36-F170 HydrophobicContact CD1-CG 3.69Å; F36-F170 HydrophobicContact CD1-CZ 4.45Å; F36-F170 HydrophobicContact CD2-CB 3.66Å; F36-F170 AromaticContact CD2-CD2 3.75Å; F36-F170 HydrophobicContact CD2-CD2 3.75Å; F36-F170 AromaticContact CD2-CG 3.82Å; F36-F170 HydrophobicContact CD2-CG 3.82Å; F36-F170 HydrophobicContact CE1-CB 3.9Å; F36-F170 HydrophobicContact CE1-CD1 4.01Å; F36-F170 AromaticContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE1-CG 3.95Å; F36-F170 HydrophobicContact CE2-CB 3.45Å; F36-F170 VanDerWaalsContact CE2-CB 3.45Å; F36-F170 HydrophobicContact CE2-CD2 4.44Å; F36-F170 HydrophobicContact CE2-CG 4.07Å; F36-F170 HydrophobicContact CG-CB 3.97Å; F36-F170 HydrophobicContact CG-CD1 4.19Å; F36-F170 AromaticContact CG-CD2 3.48Å; F36-F170 HydrophobicContact CG-CD2 3.48Å; F36-F170 VanDerWaalsContact CG-CD2 3.48Å; F36-F170 AromaticContact CG-CE2 3.96Å; F36-F170 HydrophobicContact CG-CE2 3.96Å; F36-F170 AromaticContact CG-CG 3.62Å; F36-F170 HydrophobicContact CG-CG 3.62Å; F36-F170 HydrophobicContact CG-CZ 4.49Å; F36-F170 HydrophobicContact CZ-CB 3.58Å; F36-F170 HydrophobicContact CZ-CG 4.13Å; I69-F170 HydrophobicContact CD1-CD1 3.83Å; I69-F170 HydrophobicContact CD1-CE1 3.7Å; I69-F170 HydrophobicContact CG1-CE1 4.4Å; I69-F170 HydrophobicContact CG2-CE1 4.07Å; L93-F170 HydrophobicContact CD1-CD1 3.94Å; L93-F170 HydrophobicContact CD1-CD2 4.36Å; L93-F170 HydrophobicContact CD1-CE1 3.55Å; L93-F170 HydrophobicContact CD1-CE2 4.01Å; L93-F170 HydrophobicContact CD1-CG 4.33Å; L93-F170 HydrophobicContact CD1-CZ 3.59Å; V166-F170 HydrophobicContact CG1-CD2 4.08Å; V166-F170 HydrophobicContact CG1-CE2 4.1Å; V166-F170 WeakPolarHBondContact O-CD2 3.34Å; V166-F170 PolarHBondContact O-N 3.47Å; E167-F170 PolarHBondContact O-N 3.48Å; F170-I173 VanDerWaalsContact O-CG2 3.29Å; F170-I173 WeakPolarHBondContact O-CG2 3.4Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 WeakPolarHBondContact O-CD1 3.48Å; F170-L174 WeakPolarHBondContact O-CG 3.43Å; F170-L174 PolarHBondContact O-N 2.85Å; F170-L174 VanDerWaalsContact O-N 3.14Å
171	Y	98.1	Very high	97.1	Very high	95 Å²	95	49.2 Å²	49.2	37%	0.373	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-44.4	177.1	-177.5	-92.3	0	0	0	111.3	I60 E167 L174 K175	I60-Y171 HydrophobicContact CD1-CD2 4.21Å; I60-Y171 HydrophobicContact CD1-CE2 3.95Å; I60-Y171 HydrophobicContact CG1-CD2 4.34Å; I60-Y171 HydrophobicContact CG1-CE2 3.68Å; E167-Y171 WeakPolarHBondContact O-CB 3.5Å; E167-Y171 PolarHBondContact O-N 2.94Å; Y171-L174 PolarHBondContact O-N 2.96Å; Y171-K175 HydrophobicContact CE1-CB 4.34Å; Y171-K175 HydrophobicContact CE1-CD 3.86Å; Y171-K175 VanDerWaalsContact O-CB 3.29Å; Y171-K175 WeakPolarHBondContact O-CB 3.3Å; Y171-K175 PolarHBondContact O-N 3.21Å
172	Y	98.2	Very high	96.6	Very high	102 Å²	102	52.5 Å²	52.5	40%	0.4	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-47.9	-178.7	-170	-77.5	0	0	0	111.4	M125 F154 M156 N168 L174 K175 T176	M125-Y172 HydrophobicContact CE-CD1 3.4Å; M125-Y172 VanDerWaalsContact CE-CD1 3.4Å; M125-Y172 HydrophobicContact CE-CE1 4.15Å; M125-Y172 HydrophobicContact CE-CG 3.98Å; F154-Y172 HydrophobicContact CB-CE1 4.41Å; F154-Y172 AromaticContact CD1-CE1 3.43Å; F154-Y172 HydrophobicContact CD1-CE1 3.43Å; F154-Y172 VanDerWaalsContact CD1-CE1 3.43Å; F154-Y172 AromaticContact CD1-CZ 3.9Å; F154-Y172 HydrophobicContact CD2-CE1 4.24Å; F154-Y172 AromaticContact CE1-CE1 3.63Å; F154-Y172 HydrophobicContact CE1-CE1 3.63Å; F154-Y172 AromaticContact CE1-CZ 3.93Å; F154-Y172 VanDerWaalsContact CE1-OH 3.31Å; F154-Y172 WeakPolarHBondContact CE1-OH 3.45Å; F154-Y172 HydrophobicContact CE2-CE1 4.42Å; F154-Y172 HydrophobicContact CG-CD1 4.47Å; F154-Y172 AromaticContact CG-CE1 3.76Å; F154-Y172 HydrophobicContact CG-CE1 3.76Å; F154-Y172 HydrophobicContact CZ-CE1 4.13Å; M156-Y172 VanDerWaalsContact CE-CB 3.4Å; M156-Y172 HydrophobicContact CE-CD1 4.23Å; M156-Y172 HydrophobicContact CE-CD2 3.94Å; M156-Y172 HydrophobicContact CE-CG 3.6Å; N168-Y172 WeakPolarHBondContact O-CB 3.2Å; N168-Y172 PolarHBondContact O-N 3.11Å; Y172-L174 VanDerWaalsContact C-N 3.34Å; Y172-L174 PolarHBondContact O-N 3.05Å; Y172-K175 PolarHBondContact O-N 3.21Å; Y172-T176 WeakPolarHBondContact CE1-OG1 3.48Å; Y172-T176 PolarHBondContact O-N 2.91Å; Y172-T176 PolarHBondContact O-OG1 2.89Å
173	I	97.9	Very high	96	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-42.1	178.7	-163.6	165.2	0	0	0	111.6	A92 L93 V123 M125 A169 F170 K175 T176 I177	A92-I173 VanDerWaalsContact O-CD1 3.22Å; A92-I173 WeakPolarHBondContact O-CD1 3.29Å; L93-I173 HydrophobicContact CD2-CB 4.39Å; L93-I173 HydrophobicContact CD2-CD1 3.66Å; L93-I173 HydrophobicContact CD2-CG2 4.22Å; L93-I173 HydrophobicContact CG-CD1 4.41Å; V123-I173 HydrophobicContact CB-CG1 4.29Å; V123-I173 HydrophobicContact CG1-CG1 3.85Å; M125-I173 HydrophobicContact CB-CD1 4.36Å; A169-I173 PolarHBondContact O-N 3Å; A169-I173 VanDerWaalsContact O-N 3.13Å; F170-I173 VanDerWaalsContact O-CG2 3.29Å; F170-I173 WeakPolarHBondContact O-CG2 3.4Å; I173-K175 VanDerWaalsContact C-N 3.35Å; I173-K175 PolarHBondContact O-N 3.36Å; I173-T176 PolarHBondContact O-N 3.05Å; I173-I177 HydrophobicContact CG1-CD1 4.06Å; I173-I177 WeakPolarHBondContact O-CD1 3.22Å; I173-I177 WeakPolarHBondContact O-CG1 3.21Å; I173-I177 PolarHBondContact O-N 2.84Å
174	L	98.1	Very high	94.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-39.6	177.6	-68.6	171.1	0	0	0	111.8	F17 V19 V58 I60 I65 A67 F170 Y171 Y172 F178	F17-L174 HydrophobicContact CB-CD2 4.15Å; F17-L174 HydrophobicContact CD2-CD2 4.1Å; V19-L174 HydrophobicContact CG2-CD2 4.07Å; V58-L174 HydrophobicContact CG1-CD1 4.41Å; V58-L174 HydrophobicContact CG2-CD1 3.72Å; I60-L174 HydrophobicContact CD1-CB 3.87Å; I65-L174 HydrophobicContact CG2-CD2 4.42Å; A67-L174 HydrophobicContact CB-CD1 3.85Å; A67-L174 HydrophobicContact CB-CD2 3.76Å; A67-L174 HydrophobicContact CB-CG 4.47Å; F170-L174 WeakPolarHBondContact O-CB 3.45Å; F170-L174 WeakPolarHBondContact O-CD1 3.48Å; F170-L174 WeakPolarHBondContact O-CG 3.43Å; F170-L174 PolarHBondContact O-N 2.85Å; F170-L174 VanDerWaalsContact O-N 3.14Å; Y171-L174 PolarHBondContact O-N 2.96Å; Y172-L174 VanDerWaalsContact C-N 3.34Å; Y172-L174 PolarHBondContact O-N 3.05Å; L174-F178 WeakPolarHBondContact O-CB 3.19Å; L174-F178 PolarHBondContact O-N 3.29Å
175	K	97.8	Very high	93	Very high	65 Å²	65	55.7 Å²	55.7	28%	0.283	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-46.1	175.8	-176.1	167.4	-179.5	169.1	0	111.7	I60 Y171 Y172 I173 I177 F178 E179	I60-K175 HydrophobicContact CD1-CB 3.96Å; I60-K175 HydrophobicContact CG2-CB 4.24Å; I60-K175 HydrophobicContact CG2-CD 4.34Å; I60-K175 HydrophobicContact CG2-CG 3.97Å; Y171-K175 HydrophobicContact CE1-CB 4.34Å; Y171-K175 HydrophobicContact CE1-CD 3.86Å; Y171-K175 VanDerWaalsContact O-CB 3.29Å; Y171-K175 WeakPolarHBondContact O-CB 3.3Å; Y171-K175 PolarHBondContact O-N 3.21Å; Y172-K175 PolarHBondContact O-N 3.21Å; I173-K175 VanDerWaalsContact C-N 3.35Å; I173-K175 PolarHBondContact O-N 3.36Å; K175-I177 VanDerWaalsContact C-N 3.34Å; K175-I177 PolarHBondContact O-N 3.34Å; K175-F178 WeakPolarHBondContact O-CB 3.35Å; K175-F178 PolarHBondContact O-N 3.45Å; K175-E179 WeakPolarHBondContact CE-OE1 3.42Å; K175-E179 HydrophobicContact CG-CG 4.49Å; K175-E179 WeakPolarHBondContact O-CG 3.28Å; K175-E179 PolarHBondContact O-N 3.21Å
176	T	97.2	Very high	90.8	Very high	24 Å²	24	58.3 Å²	58.3	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-40.3	178.6	-55.4	0	0	0	0	111.7	V123 F154 Y172 I173 E179 A180	V123-T176 HydrophobicContact CG1-CG2 3.79Å; V123-T176 HydrophobicContact CG2-CG2 3.9Å; F154-T176 HydrophobicContact CE2-CG2 3.77Å; F154-T176 HydrophobicContact CZ-CG2 3.87Å; Y172-T176 WeakPolarHBondContact CE1-OG1 3.48Å; Y172-T176 PolarHBondContact O-N 2.91Å; Y172-T176 PolarHBondContact O-OG1 2.89Å; I173-T176 PolarHBondContact O-N 3.05Å; T176-E179 PolarHBondContact O-N 3.02Å; T176-A180 WeakPolarHBondContact O-CB 3.43Å; T176-A180 PolarHBondContact O-N 2.95Å
177	I	96.4	Very high	88.2	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-62	-45.7	173.8	-64.7	160.1	0	0	0	110.2	F17 V19 V90 V123 I173 K175 E179 A180 V181	F17-I177 HydrophobicContact CD1-CG2 3.89Å; F17-I177 HydrophobicContact CD2-CB 4.05Å; F17-I177 HydrophobicContact CD2-CG2 3.64Å; F17-I177 HydrophobicContact CE1-CG2 3.91Å; F17-I177 HydrophobicContact CE2-CB 4.02Å; F17-I177 HydrophobicContact CE2-CG2 3.63Å; F17-I177 HydrophobicContact CG-CG2 3.8Å; F17-I177 HydrophobicContact CZ-CG2 3.8Å; V19-I177 HydrophobicContact CG2-CD1 4.2Å; V90-I177 HydrophobicContact CB-CG2 4.2Å; V90-I177 HydrophobicContact CG2-CD1 4.28Å; V90-I177 HydrophobicContact CG2-CG2 3.87Å; V123-I177 HydrophobicContact CB-CG1 3.76Å; V123-I177 HydrophobicContact CG2-CB 4.48Å; V123-I177 HydrophobicContact CG2-CG1 3.64Å; I173-I177 HydrophobicContact CG1-CD1 4.06Å; I173-I177 WeakPolarHBondContact O-CD1 3.22Å; I173-I177 WeakPolarHBondContact O-CG1 3.21Å; I173-I177 PolarHBondContact O-N 2.84Å; K175-I177 VanDerWaalsContact C-N 3.34Å; K175-I177 PolarHBondContact O-N 3.34Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.36Å; I177-A180 PolarHBondContact O-N 3.1Å; I177-V181 HydrophobicContact CG2-CG2 4.32Å; I177-V181 WeakPolarHBondContact O-CB 3.45Å; I177-V181 WeakPolarHBondContact O-CG2 3.46Å; I177-V181 PolarHBondContact O-N 3.2Å
178	F	96.3	Very high	85.5	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.018	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-45.2	177.5	175.2	-115	0	0	0	112.3	Y15 F17 I60 D61 R63 I65 L174 K175 V181 R182	Y15-F178 HydrophobicContact CD2-CD2 4.12Å; Y15-F178 AromaticContact CD2-CE2 3.94Å; Y15-F178 HydrophobicContact CD2-CE2 3.94Å; Y15-F178 HydrophobicContact CE1-CD2 4.45Å; Y15-F178 HydrophobicContact CE1-CE2 4.36Å; Y15-F178 HydrophobicContact CE2-CD2 4.07Å; Y15-F178 AromaticContact CE2-CE2 3.49Å; Y15-F178 HydrophobicContact CE2-CE2 3.49Å; Y15-F178 VanDerWaalsContact CE2-CE2 3.49Å; Y15-F178 HydrophobicContact CG-CD2 4.41Å; Y15-F178 AromaticContact CZ-CE2 3.72Å; F17-F178 HydrophobicContact CE2-CB 3.88Å; F17-F178 HydrophobicContact CZ-CB 4.21Å; F17-F178 HydrophobicContact CZ-CD2 4.5Å; I60-F178 HydrophobicContact CG2-CD1 3.92Å; I60-F178 HydrophobicContact CG2-CE1 4.44Å; D61-F178 HydrophobicContact CB-CE1 3.97Å; R63-F178 HydrophobicContact CB-CE2 4.21Å; R63-F178 HydrophobicContact CB-CZ 4.23Å; R63-F178 HydrophobicContact CG-CE2 4.01Å; R63-F178 HydrophobicContact CG-CZ 3.79Å; I65-F178 HydrophobicContact CD1-CB 3.83Å; I65-F178 HydrophobicContact CD1-CD2 4.18Å; I65-F178 HydrophobicContact CD1-CG 4.02Å; L174-F178 WeakPolarHBondContact O-CB 3.19Å; L174-F178 PolarHBondContact O-N 3.29Å; K175-F178 WeakPolarHBondContact O-CB 3.35Å; K175-F178 PolarHBondContact O-N 3.45Å; F178-V181 PolarHBondContact O-N 2.96Å; F178-R182 VanDerWaalsContact O-CB 3.25Å; F178-R182 WeakPolarHBondContact O-CB 3.49Å; F178-R182 PolarHBondContact O-N 3.42Å
179	E	95.3	Very high	82.5	Confident	78 Å²	78	65.8 Å²	65.8	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-39.4	178.1	-71.9	173	172.4	0	0	112.4	K175 T176 I177 R182 S183	K175-E179 WeakPolarHBondContact CE-OE1 3.42Å; K175-E179 HydrophobicContact CG-CG 4.49Å; K175-E179 WeakPolarHBondContact O-CG 3.28Å; K175-E179 PolarHBondContact O-N 3.21Å; T176-E179 PolarHBondContact O-N 3.02Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.36Å; E179-R182 PolarHBondContact O-N 2.94Å; E179-S183 WeakPolarHBondContact O-CB 3.45Å; E179-S183 PolarHBondContact O-N 2.7Å; E179-S183 PolarHBondContact O-OG 3.39Å
180	A	92.4	Very high	79.7	Confident	47 Å²	47	70.7 Å²	70.7	39%	0.388	38%	0.381	S	S	.	.	H	α-helix	trans	-63	-46.2	175.1	0	0	0	0	0	111.7	T176 I177 S183 H184	T176-A180 WeakPolarHBondContact O-CB 3.43Å; T176-A180 PolarHBondContact O-N 2.95Å; I177-A180 PolarHBondContact O-N 3.1Å; A180-S183 PolarHBondContact O-N 3.18Å; A180-S183 PolarHBondContact O-OG 2.88Å; A180-H184 PolarHBondContact O-N 3.32Å
181	V	90.6	Very high	76.9	Confident	36 Å²	36	76.4 Å²	76.4	22%	0.218	41%	0.412	C	S	.	.	H	α-helix	trans	-67.2	-40.6	178.1	171	0	0	0	0	111.7	Y15 F17 I177 F178 S183 H184 M192	Y15-V181 HydrophobicContact CD1-CG1 4.35Å; Y15-V181 HydrophobicContact CE1-CG1 4.02Å; F17-V181 HydrophobicContact CE1-CG2 4.23Å; F17-V181 HydrophobicContact CZ-CG2 4.41Å; I177-V181 HydrophobicContact CG2-CG2 4.32Å; I177-V181 WeakPolarHBondContact O-CB 3.45Å; I177-V181 WeakPolarHBondContact O-CG2 3.46Å; I177-V181 PolarHBondContact O-N 3.2Å; F178-V181 PolarHBondContact O-N 2.96Å; V181-S183 PolarHBondContact O-N 2.74Å; V181-H184 CarbonylContact O-C 3.56Å; V181-H184 PolarHBondContact O-N 3.12Å; V181-M192 HydrophobicContact CG1-CE 3.69Å; V181-M192 HydrophobicContact CG1-SD 3.89Å
182	R	87.9	Confident	74.3	Confident	139 Å²	139	75.7 Å²	75.7	53%	0.525	41%	0.413	S	S	.	.	H	α-helix	trans	-67.8	-34.8	179.6	-172	-178	72.1	174.1	-3.7	112.4	D61 F178 E179	D61-R182 IonicContact OD2-NH1 3.89Å; F178-R182 VanDerWaalsContact O-CB 3.25Å; F178-R182 WeakPolarHBondContact O-CB 3.49Å; F178-R182 PolarHBondContact O-N 3.42Å; E179-R182 PolarHBondContact O-N 2.94Å
183	S	84.5	Confident	71.4	Confident	76 Å²	76	78.9 Å²	78.9	53%	0.531	43%	0.429	S	S	.	.	H	α-helix	trans	-76.3	-25.8	178.1	54.1	0	0	0	0	113	E179 A180 V181 P185	E179-S183 WeakPolarHBondContact O-CB 3.45Å; E179-S183 PolarHBondContact O-N 2.7Å; E179-S183 PolarHBondContact O-OG 3.39Å; A180-S183 PolarHBondContact O-N 3.18Å; A180-S183 PolarHBondContact O-OG 2.88Å; V181-S183 PolarHBondContact O-N 2.74Å; S183-P185 VanDerWaalsContact C-CD 3.46Å; S183-P185 WeakPolarHBondContact O-CD 3.43Å
184	H	75	Confident	68.5	Low	149 Å²	149	84.4 Å²	84.4	69%	0.69	46%	0.456	S	S	*	.	S	Bend	trans	-125.5	67.6	178.1	-60.5	80.4	0	0	0	110.6	A180 V181	A180-H184 PolarHBondContact O-N 3.32Å; V181-H184 CarbonylContact O-C 3.56Å; V181-H184 PolarHBondContact O-N 3.12Å
185	P	58.2	Low	65.6	Low	88 Å²	88	88.3 Å²	88.3	57%	0.571	48%	0.484	S	S	*	.			trans	-59.5	133.8	174.7	24.5	-30.6	0	0	0	108.6	S183 V187	S183-P185 VanDerWaalsContact C-CD 3.46Å; S183-P185 WeakPolarHBondContact O-CD 3.43Å; P185-V187 PolarHBondContact O-N 3.44Å
186	P	51.2	Low	62.7	Low	73 Å²	73	91 Å²	91	47%	0.474	51%	0.508	S	S	.	.			trans	-54	130.7	179.5	18	-28.7	0	0	0	109.7	S188 M192	P186-S188 PolarHBondContact O-N 3.33Å; P186-M192 HydrophobicContact CG-SD 4.38Å
187	V	45.3	Very low	59.6	Low	149 Å²	149	100.4 Å²	100.4	90%	0.903	54%	0.542	S	S	*	.	S	Bend	trans	-75.1	67.5	178.5	-170.2	0	0	0	0	108.7	P185	P185-V187 PolarHBondContact O-N 3.44Å
188	S	39	Very low	56.5	Low	75 Å²	75	107.5 Å²	107.5	52%	0.524	58%	0.58	S	S	.	*	S	Bend	trans	166.2	145.7	164.3	40	0	0	0	0	107.9	P186 V190	P186-S188 PolarHBondContact O-N 3.33Å; S188-V190 PolarHBondContact O-N 2.84Å
189	N	36.9	Very low	53.4	Low	171 Å²	171	114.4 Å²	114.4	91%	0.914	62%	0.617	S	S	*	*			trans	-65	38.8	174.1	-73.5	-30.1	0	0	0	113	D191	N189-D191 VanDerWaalsContact C-N 3.25Å; N189-D191 PolarHBondContact O-N 2.93Å
190	V	39.6	Very low	50.2	Low	105 Å²	105	119 Å²	119	64%	0.636	64%	0.638	S	S	*	*			trans	-79.7	89	170.2	-171.9	0	0	0	0	106.2	S188 M192	S188-V190 PolarHBondContact O-N 2.84Å; V190-M192 PolarHBondContact O-N 2.82Å
191	D	39	Very low	47.4	Very low	123 Å²	123	122.4 Å²	122.4	66%	0.658	66%	0.657	S	S	*	*			trans	-3.5	95.9	159.5	-69	-56.2	0	0	0	113.8	N189 K193	N189-D191 VanDerWaalsContact C-N 3.25Å; N189-D191 PolarHBondContact O-N 2.93Å; D191-K193 HydrophobicContact CB-CB 4.31Å; D191-K193 CarbonylContact O-C 3.21Å; D191-K193 PolarHBondContact O-N 3.35Å
192	M	44.5	Very low	44.7	Very low	79 Å²	79	128.6 Å²	128.6	39%	0.389	69%	0.687	S	S	.	*	S	Bend	trans	-65.2	9.2	162.1	-109.6	176.5	74.5	0	0	112.6	Y15 F17 V181 P186 V190 M194	Y15-M192 HydrophobicContact CD1-CE 3.53Å; Y15-M192 HydrophobicContact CE1-CE 3.9Å; F17-M192 HydrophobicContact CE1-CE 4.49Å; V181-M192 HydrophobicContact CG1-CE 3.69Å; V181-M192 HydrophobicContact CG1-SD 3.89Å; P186-M192 HydrophobicContact CG-SD 4.38Å; V190-M192 PolarHBondContact O-N 2.82Å; M192-M194 PolarHBondContact O-N 3.18Å
193	K	35.9	Very low	42.1	Very low	169 Å²	169	128.2 Å²	128.2	74%	0.735	70%	0.7	S	S	*	*			trans	-68.7	67.1	152.6	-62.7	-174.2	177.6	-177.6	0	108.7	D191 S195	D191-K193 HydrophobicContact CB-CB 4.31Å; D191-K193 CarbonylContact O-C 3.21Å; D191-K193 PolarHBondContact O-N 3.35Å; K193-S195 PolarHBondContact O-N 2.57Å
194	M	38	Very low	39.8	Very low	116 Å²	116	128.4 Å²	128.4	57%	0.571	70%	0.701	S	S	*	*			trans	-51.7	116.6	166.4	-86.6	-179.2	133	0	0	108.2	M192	M192-M194 PolarHBondContact O-N 3.18Å
195	S	35.8	Very low	38	Very low	84 Å²	84	127 Å²	127	59%	0.587	71%	0.705	S	S	*	*			trans	-48.5	145.8	-170.4	176.8	0	0	0	0	114.5	K193 Y197	K193-S195 PolarHBondContact O-N 2.57Å; S195-Y197 PolarHBondContact O-N 2.99Å
196	P	37.7	Very low	37	Very low	122 Å²	122	129.8 Å²	129.8	79%	0.792	72%	0.715	S	S	*	*			trans	-69.6	102.2	175.1	29.9	-32	0	0	0	109	N198	P196-N198 PolarHBondContact O-N 3.43Å
197	Y	32.5	Very low	36.4	Very low	221 Å²	221	132.6 Å²	132.6	87%	0.867	73%	0.731	S	S	*	*			trans	-75	125.6	175.8	-106	-91.8	0	0	0	110.4	S195 N199	S195-Y197 PolarHBondContact O-N 2.99Å; Y197-N199 PolarHBondContact O-N 3.27Å
198	N	31.9	Very low	35.9	Very low	154 Å²	154	133 Å²	133	82%	0.824	73%	0.728	S	S	*	*			trans	-56.2	124.7	-178.4	-85.9	-34.9	0	0	0	112.6	P196 Q200	P196-N198 PolarHBondContact O-N 3.43Å; N198-Q200 PolarHBondContact O-N 2.83Å
199	N	31.1	Very low	35.6	Very low	148 Å²	148	134.7 Å²	134.7	79%	0.791	74%	0.74	S	S	*	*			trans	-59.7	113.5	163	-79.3	-24.7	0	0	0	110	Y197	Y197-N199 PolarHBondContact O-N 3.27Å
200	Q	27.1	Very low	35.6	Very low	174 Å²	174	132.4 Å²	132.4	81%	0.813	74%	0.738	S	S	*	*			trans	-131.4	112.6	147.5	-74.5	-162.3	-13.7	0	0	109.2	N198 I202	N198-Q200 PolarHBondContact O-N 2.83Å; Q200-I202 PolarHBondContact O-N 2.96Å
201	P	33.2	Very low	35.4	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	75%	0.752	S	S	*	*			trans	-67.5	115.9	172	26.1	-29.4	0	0	0	108.6	V203	P201-V203 PolarHBondContact O-N 3.21Å
202	I	33.8	Very low	35.4	Very low	165 Å²	165	137.9 Å²	137.9	85%	0.846	76%	0.763	S	S	*	*			trans	-69.8	111.6	171.8	-61.3	171.6	0	0	0	106.8	Q200 S204	Q200-I202 PolarHBondContact O-N 2.96Å; I202-S204 PolarHBondContact O-N 3.24Å
203	V	34.3	Very low	35	Very low	131 Å²	131	137.4 Å²	137.4	79%	0.794	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.3	125.2	177.6	176.7	0	0	0	0	109.7	P201	P201-V203 PolarHBondContact O-N 3.21Å
204	S	36.6	Very low	35.1	Very low	80 Å²	80	140.9 Å²	140.9	56%	0.559	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-55.4	141	176.1	-53	0	0	0	0	111.7	I202 N206	I202-S204 PolarHBondContact O-N 3.24Å; S204-N206 PolarHBondContact O-N 3.35Å
205	P	36.7	Very low	35.1	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-67.5	119.1	177.7	-7.3	21	0	0	0	110	T207	P205-T207 PolarHBondContact O-N 2.89Å
206	N	37.6	Very low	35.2	Very low	146 Å²	146	149.8 Å²	149.8	78%	0.781	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-52.4	119.8	167.3	-74.8	-25.8	0	0	0	109.6	S204 D208	S204-N206 PolarHBondContact O-N 3.35Å; N206-D208 VanDerWaalsContact C-N 3.26Å; N206-D208 PolarHBondContact O-N 3.23Å
207	T	38.7	Very low	35.4	Very low	132 Å²	132	149.9 Å²	149.9	81%	0.81	82%	0.823	S	S	*	*			trans	-76	83.2	165.5	50.4	0	0	0	0	108.6	P205 S209	P205-T207 PolarHBondContact O-N 2.89Å; T207-S209 PolarHBondContact O-N 3.41Å
208	D	34.1	Very low	36.6	Very low	158 Å²	158	148.8 Å²	148.8	85%	0.845	85%	0.848	S	S	*	*			trans	-82.9	103.1	165.9	-109.5	-18.9	0	0	0	109	N206	N206-D208 VanDerWaalsContact C-N 3.26Å; N206-D208 PolarHBondContact O-N 3.23Å
209	S	33	Very low	36.9	Very low	111 Å²	111	148.5 Å²	148.5	78%	0.776	85%	0.849	S	S	*	*			trans	-162.4	86.2	157.9	50	0	0	0	0	111.6	T207	T207-S209 PolarHBondContact O-N 3.41Å
210	S	36.6	Very low	37.2	Very low	123 Å²	123	148.5 Å²	148.5	86%	0.86	85%	0.852	S	S	*	*			trans	-145.4	110.2	143.9	54.4	0	0	0	0	110.7
211	K	35.3	Very low	37.7	Very low	217 Å²	217	147.1 Å²	147.1	94%	0.943	85%	0.854	S	S	*	*			trans	-66.1	125.6	178.2	-67.4	166.5	173.3	174.7	0	110.8
212	S	38.7	Very low	38	Very low	126 Å²	126	148.7 Å²	148.7	88%	0.881	86%	0.859	S	S	*	*			trans	-162.2	138.9	148.2	80.7	0	0	0	0	106.7
213	G	35.9	Very low	38.2	Very low	69 Å²	69	147.7 Å²	147.7	71%	0.711	86%	0.859	S	S	*	*			cis	176.7	127.8	-1.4	0	0	0	0	0	105.6
214	R	38.1	Very low	38.5	Very low	242 Å²	242	148.8 Å²	148.8	91%	0.913	86%	0.864	S	S	*	*			trans	44	119.2	154.2	-63.6	177.2	178.9	170.7	-1.1	119.4
215	R	39.4	Very low	38.6	Very low	246 Å²	246	153.7 Å²	153.7	93%	0.928	89%	0.885	S	S	*	*				-166.7	102.5	129.8	-102.6	164.5	-169.1	-162.8	3.1	108.8
216	C	36.8	Very low	38.8	Very low	140 Å²	140	156.3 Å²	156.3	95%	0.946	89%	0.894	S	S	*	*			trans	-94.6	125.9	164.1	-73.1	0	0	0	0	107.2
217	C	42.3	Very low	38.9	Very low	125 Å²	125	157.2 Å²	157.2	85%	0.845	90%	0.903	S	S	*	*			trans	-78.9	131.4	179	-56.8	0	0	0	0	110.3
218	S	57.8	Low	38.9	Very low	197 Å²	197	159.5 Å²	159.5	100%	1.378	91%	0.912	S	S	*	*			trans	-127.5	0	145	-53.4	0	0	0	0	106.1

Retrieved 218 of 218 residues in 105.5 ms (Link to these results)

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