A0A077YZU1_TRITR Loading...

40S ribosomal protein S8

AlphaFold DB , UniProt , Accession A0A077YZU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	36.6	Very low	50.8	Low	193 Å²	193	113.7 Å²	113.7	100%	1.17	66%	0.655	S	S	*	*				0	109.1	0	-177.6	0	0	0	0	109.7	S3	V1-S3 PolarHBondContact O-N 3.17Å; V1-S3 VanDerWaalsContact O-N 3.13Å
2	V	42	Very low	54.2	Low	103 Å²	103	106.8 Å²	106.8	62%	0.624	62%	0.616	S	S	*	*			trans	-74.6	104.9	177.2	-177.3	0	0	0	0	107.6	Y4	V2-Y4 WeakPolarHBondContact O-CD2 3.37Å; V2-Y4 PolarHBondContact O-N 3.18Å
3	S	37.6	Very low	57	Low	71 Å²	71	111 Å²	111	50%	0.497	62%	0.623	S	S	.	*			trans	-55.4	103.7	-178.5	45.5	0	0	0	0	111.6	V1 S5	V1-S3 PolarHBondContact O-N 3.17Å; V1-S3 VanDerWaalsContact O-N 3.13Å; S3-S5 PolarHBondContact O-N 3.19Å
4	Y	42.5	Very low	59.4	Low	191 Å²	191	103.6 Å²	103.6	75%	0.749	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-69.3	-11.4	178.5	-95.8	-92.5	0	0	0	113.1	V2 K6 L7	V2-Y4 WeakPolarHBondContact O-CD2 3.37Å; V2-Y4 PolarHBondContact O-N 3.18Å; Y4-K6 PolarHBondContact O-N 2.97Å; Y4-L7 HydrophobicContact CD1-CD1 3.88Å; Y4-L7 HydrophobicContact CE1-CD1 4.17Å; Y4-L7 HydrophobicContact CG-CD1 4.48Å; Y4-L7 PolarHBondContact O-N 3.19Å
5	S	38.1	Very low	61.5	Low	100 Å²	100	105.4 Å²	105.4	70%	0.699	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-68.2	-28.6	-179.2	53.6	0	0	0	0	113.9	S3 L7	S3-S5 PolarHBondContact O-N 3.19Å; S5-L7 VanDerWaalsContact C-N 3.29Å; S5-L7 PolarHBondContact O-N 3.48Å
6	K	41.8	Very low	63	Low	176 Å²	176	101.3 Å²	101.3	77%	0.765	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-77.2	-7.3	177.1	-80.5	-176.3	178	175.7	0	114.6	Y4	Y4-K6 PolarHBondContact O-N 2.97Å
7	L	41.2	Very low	64.5	Low	57 Å²	57	101.2 Å²	101.2	30%	0.298	55%	0.55	S	S	.	*	G	3₁₀ helix	trans	-83.9	-13.1	-176.2	-82.2	158.2	0	0	0	114.3	Y4 S5 K34	Y4-L7 HydrophobicContact CD1-CD1 3.88Å; Y4-L7 HydrophobicContact CE1-CD1 4.17Å; Y4-L7 HydrophobicContact CG-CD1 4.48Å; Y4-L7 PolarHBondContact O-N 3.19Å; S5-L7 VanDerWaalsContact C-N 3.29Å; S5-L7 PolarHBondContact O-N 3.48Å; L7-K34 HydrophobicContact CD2-CB 4.05Å; L7-K34 HydrophobicContact CD2-CG 4.06Å
8	C	45.6	Very low	66.1	Low	98 Å²	98	103 Å²	103	66%	0.662	55%	0.552	S	S	*	*	S	Bend	trans	-82.5	-27.4	-170.5	-130.1	0	0	0	0	114.6	K32	C8-K32 PolarHBondContact O-NZ 3.14Å
9	S	62.8	Low	67.6	Low	108 Å²	108	106.4 Å²	106.4	76%	0.755	56%	0.556	S	S	*	*	S	Bend	trans	-102.6	-1.4	-169.4	43.5	0	0	0	0	115.9
10	G	81.2	Confident	69	Low	38 Å²	38	108.7 Å²	108.7	39%	0.392	56%	0.557	S	S	.	*	S	Bend	trans	-76.4	158	-177.3	0	0	0	0	0	115.5	K32	G10-K32 PolarHBondContact O-NZ 3.1Å
11	I	89.9	Confident	70.2	Confident	116 Å²	116	114 Å²	114	60%	0.595	58%	0.576	S	S	*	*			trans	-56.4	138.5	166.3	-59	170.7	0	0	0	108.6	G38	I11-G38 WeakPolarHBondContact O-CA 3.31Å; I11-G38 PolarHBondContact O-N 3.24Å
12	T	91	Very high	73.1	Confident	31 Å²	31	110.8 Å²	110.8	19%	0.19	56%	0.557	C	S	.	*	B	Isolated β-bridge	trans	-122.7	142.9	-177	-176.9	0	0	0	0	110.9	D14 K32 Q36	T12-D14 VanDerWaalsContact CB-OD1 3.26Å; T12-D14 WeakPolarHBondContact CB-OD1 3.46Å; T12-D14 WeakPolarHBondContact CG2-OD1 3.28Å; T12-D14 PolarHBondContact OG1-OD1 3.14Å; T12-K32 HydrophobicContact CG2-CD 4.46Å; T12-Q36 CarbonylContact C-O 3.6Å; T12-Q36 WeakPolarHBondContact CA-O 3.48Å
13	K	90.8	Very high	75.6	Confident	161 Å²	161	107.5 Å²	107.5	70%	0.7	54%	0.544	S	S	*	.			trans	-104.1	18.4	179.6	-56.7	-175.2	-169.4	177.8	0	112.6	Q36 L37	K13-Q36 PolarHBondContact N-O 3.3Å; K13-L37 VanDerWaalsContact CE-O 3.26Å; K13-L37 WeakPolarHBondContact CE-O 3.49Å
14	D	90.3	Very high	78.4	Confident	8 Å²	8	105.6 Å²	105.6	4%	0.043	54%	0.536	C	S	.	.			trans	-71.3	164.3	175.7	70.3	-79.9	0	0	0	111.5	T12 W16 H17 Q36	T12-D14 VanDerWaalsContact CB-OD1 3.26Å; T12-D14 WeakPolarHBondContact CB-OD1 3.46Å; T12-D14 WeakPolarHBondContact CG2-OD1 3.28Å; T12-D14 PolarHBondContact OG1-OD1 3.14Å; D14-W16 HydrophobicContact CB-CG 4.2Å; D14-W16 PolarHBondContact OD2-N 3.43Å; D14-W16 VanDerWaalsContact OD2-N 3.11Å; D14-W16 PolarHBondContact OD2-NE1 3.05Å; D14-W16 VanDerWaalsContact OD2-NE1 3.15Å; D14-H17 VanDerWaalsContact CG-ND1 3.31Å; D14-H17 PolarHBondContact O-CE1 3.47Å; D14-H17 PolarHBondContact O-ND1 3.43Å; D14-H17 IonicContact OD1-ND1 3.3Å; D14-H17 PolarHBondContact OD1-ND1 3.08Å; D14-H17 IonicContact OD2-CG 3.96Å; D14-H17 PolarHBondContact OD2-N 3.36Å; D14-H17 IonicContact OD2-ND1 2.69Å; D14-H17 PolarHBondContact OD2-ND1 3.21Å; D14-Q36 HydrophobicContact CB-CG 4.47Å
15	H	90.7	Very high	80.8	Confident	130 Å²	130	104.9 Å²	104.9	60%	0.602	54%	0.537	S	S	*	.	S	Bend	trans	-107.8	-1.8	176.5	60.6	-90.4	0	0	0	112.3	K18 R26	H15-K18 PolarHBondContact O-N 3.34Å; H15-R26 PolarHBondContact O-NH1 3.33Å
16	W	86.8	Confident	83.4	Confident	39 Å²	39	104.8 Å²	104.8	15%	0.148	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-23.8	-175	59.8	-103	0	0	0	112	D14 K18 R28 K32	D14-W16 HydrophobicContact CB-CG 4.2Å; D14-W16 PolarHBondContact OD2-N 3.43Å; D14-W16 VanDerWaalsContact OD2-N 3.11Å; D14-W16 PolarHBondContact OD2-NE1 3.05Å; D14-W16 VanDerWaalsContact OD2-NE1 3.15Å; W16-K18 PolarHBondContact O-N 3Å; W16-R28 HydrophobicContact CE3-CB 3.96Å; W16-R28 HydrophobicContact CE3-CG 3.76Å; W16-R28 HydrophobicContact CH2-CB 4.48Å; W16-R28 HydrophobicContact CH2-CG 3.65Å; W16-R28 HydrophobicContact CZ2-CG 4.37Å; W16-R28 HydrophobicContact CZ3-CB 3.65Å; W16-R28 HydrophobicContact CZ3-CG 3.27Å; W16-K32 HydrophobicContact CZ2-CG 4.43Å
17	H	88.3	Confident	85.7	Confident	101 Å²	101	102.8 Å²	102.8	47%	0.468	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.2	171.8	73.6	-90.9	0	0	0	113.6	D14	D14-H17 VanDerWaalsContact CG-ND1 3.31Å; D14-H17 PolarHBondContact O-CE1 3.47Å; D14-H17 PolarHBondContact O-ND1 3.43Å; D14-H17 IonicContact OD1-ND1 3.3Å; D14-H17 PolarHBondContact OD1-ND1 3.08Å; D14-H17 IonicContact OD2-CG 3.96Å; D14-H17 PolarHBondContact OD2-N 3.36Å; D14-H17 IonicContact OD2-ND1 2.69Å; D14-H17 PolarHBondContact OD2-ND1 3.21Å
18	K	93	Very high	88	Confident	133 Å²	133	105.8 Å²	105.8	58%	0.578	53%	0.531	S	S	*	.	S	Bend	trans	-89.7	158.9	177.5	-60.1	-171.6	178.5	-173.8	0	111.7	H15 W16 R26	H15-K18 PolarHBondContact O-N 3.34Å; W16-K18 PolarHBondContact O-N 3Å; K18-R26 WeakPolarHBondContact O-CD 3.34Å
19	R	94.6	Very high	90	Very high	167 Å²	167	106.5 Å²	106.5	63%	0.63	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-65.8	161.3	175.8	-70.7	175.8	176.4	-89.7	4.3	112.1	G23	R19-G23 VanDerWaalsContact CD-O 3.3Å; R19-G23 WeakPolarHBondContact CD-O 3.25Å; R19-G23 PolarHBondContact NH1-O 3.44Å
20	R	94.4	Very high	91.3	Very high	152 Å²	152	105.3 Å²	105.3	57%	0.574	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-69.5	166.9	170.2	-66.2	-179	177.2	-171.2	-0.5	110.6	T22 G23 G24 R26	R20-T22 PolarHBondContact O-N 3.14Å; R20-G23 PolarHBondContact O-N 3.31Å; R20-G24 PolarHBondContact N-O 2.95Å; R20-R26 HydrophobicContact CG-CG 3.62Å
21	K	95.5	Very high	91.8	Very high	220 Å²	220	111.3 Å²	111.3	96%	0.957	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-34	170.9	-171.2	-180	178.8	-175	0	111.8	G23	K21-G23 PolarHBondContact O-N 3.08Å
22	T	96.5	Very high	91.8	Very high	126 Å²	126	109 Å²	109	77%	0.773	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	0	175.5	59.1	0	0	0	0	114.5	R20 G24	R20-T22 PolarHBondContact O-N 3.14Å; T22-G24 PolarHBondContact O-N 2.89Å
23	G	95.9	Very high	91.8	Very high	34 Å²	34	113.4 Å²	113.4	35%	0.351	53%	0.53	S	S	.	.	S	Bend	trans	83	-14	-175.5	0	0	0	0	0	115.1	R19 R20 K21	R19-G23 VanDerWaalsContact CD-O 3.3Å; R19-G23 WeakPolarHBondContact CD-O 3.25Å; R19-G23 PolarHBondContact NH1-O 3.44Å; R20-G23 PolarHBondContact O-N 3.31Å; K21-G23 PolarHBondContact O-N 3.08Å
24	G	95.3	Very high	91.8	Very high	31 Å²	31	111.9 Å²	111.9	32%	0.32	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-59.5	138.4	177.3	0	0	0	0	0	113.5	R20 T22	R20-G24 PolarHBondContact N-O 2.95Å; T22-G24 PolarHBondContact O-N 2.89Å
25	K	94.2	Very high	91.9	Very high	177 Å²	177	117.8 Å²	117.8	77%	0.77	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-67.4	135.3	175.9	-173.4	176.9	-179.6	-179.4	0	109.9
26	R	91.7	Very high	92	Very high	97 Å²	97	112.4 Å²	112.4	37%	0.366	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-89.8	132.1	174.2	-68.7	-176	171.8	161.4	-5	110.1	H15 K18 R20	H15-R26 PolarHBondContact O-NH1 3.33Å; K18-R26 WeakPolarHBondContact O-CD 3.34Å; R20-R26 HydrophobicContact CG-CG 3.62Å
27	T	90.7	Very high	92.2	Very high	135 Å²	135	113.4 Å²	113.4	83%	0.828	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-74.4	137.9	169.5	-52.8	0	0	0	0	110	S29	T27-S29 PolarHBondContact O-N 3.28Å
28	R	88.5	Confident	92.5	Very high	119 Å²	119	109.3 Å²	109.3	45%	0.449	51%	0.514	S	S	.	.			trans	-78.2	107.5	177.6	177.7	-179	-173.5	-176.4	3.1	109.7	W16 R30	W16-R28 HydrophobicContact CE3-CB 3.96Å; W16-R28 HydrophobicContact CE3-CG 3.76Å; W16-R28 HydrophobicContact CH2-CB 4.48Å; W16-R28 HydrophobicContact CH2-CG 3.65Å; W16-R28 HydrophobicContact CZ2-CG 4.37Å; W16-R28 HydrophobicContact CZ3-CB 3.65Å; W16-R28 HydrophobicContact CZ3-CG 3.27Å; R28-R30 VanDerWaalsContact CG-O 3.23Å; R28-R30 WeakPolarHBondContact CG-O 3.27Å; R28-R30 PolarHBondContact NE-O 2.84Å
29	S	89	Confident	92.5	Very high	114 Å²	114	107.8 Å²	107.8	80%	0.797	51%	0.505	S	S	*	.			trans	-80.7	-14.6	178.8	58.9	0	0	0	0	114.7	T27	T27-S29 PolarHBondContact O-N 3.28Å
30	R	89.6	Confident	92.5	Very high	83 Å²	83	104 Å²	104	31%	0.313	50%	0.502	S	S	.	.	S	Bend	trans	-151.8	157.4	-173.9	61.1	-175.5	176.4	130.2	-6.1	114.3	R28 Y35	R28-R30 VanDerWaalsContact CG-O 3.23Å; R28-R30 WeakPolarHBondContact CG-O 3.27Å; R28-R30 PolarHBondContact NE-O 2.84Å; R30-Y35 PolarHBondContact NH1-OH 3Å
31	K	90.4	Very high	92.5	Very high	164 Å²	164	101.1 Å²	101.1	71%	0.713	50%	0.503	S	S	*	.			trans	-66.8	160.1	172.2	-64.4	-176.5	-178.4	177.6	0	111.5
32	K	90.3	Very high	92.5	Very high	66 Å²	66	91.5 Å²	91.5	29%	0.287	47%	0.465	S	S	.	.			trans	-59.8	138.9	178.9	-78.2	174.5	-175.6	176.5	0	109.2	C8 G10 T12 W16	C8-K32 PolarHBondContact O-NZ 3.14Å; G10-K32 PolarHBondContact O-NZ 3.1Å; T12-K32 HydrophobicContact CG2-CD 4.46Å; W16-K32 HydrophobicContact CZ2-CG 4.43Å
33	R	91.4	Very high	92.5	Very high	124 Å²	124	89.9 Å²	89.9	47%	0.468	45%	0.451	S	S	.	.			trans	-104.4	145.4	178.3	-61.7	-58.7	-168	-157.7	-0.5	111.4	Y35 Q36	R33-Y35 VanDerWaalsContact C-N 3.26Å; R33-Y35 HydrophobicContact CB-CD1 3.78Å; R33-Y35 HydrophobicContact CB-CE1 3.4Å; R33-Y35 VanDerWaalsContact CB-CE1 3.4Å; R33-Y35 HydrophobicContact CB-CE2 4.26Å; R33-Y35 HydrophobicContact CB-CG 4.37Å; R33-Y35 HydrophobicContact CG-CE1 3.77Å; R33-Y35 PolarHBondContact O-N 2.76Å; R33-Q36 HydrophobicContact CB-CG 4.29Å; R33-Q36 WeakPolarHBondContact O-CB 3.44Å; R33-Q36 PolarHBondContact O-N 3.49Å
34	K	91.7	Very high	92.6	Very high	129 Å²	129	88.4 Å²	88.4	56%	0.561	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-55.2	-38	-179.5	-175	170.8	-177.7	173.7	0	113.1	L7 Q36 L37	L7-K34 HydrophobicContact CD2-CB 4.05Å; L7-K34 HydrophobicContact CD2-CG 4.06Å; K34-Q36 PolarHBondContact O-N 2.85Å; K34-L37 HydrophobicContact CG-CD2 4.28Å; K34-L37 WeakPolarHBondContact O-CB 3.37Å; K34-L37 WeakPolarHBondContact O-CD2 3.49Å; K34-L37 VanDerWaalsContact O-CG 3.27Å; K34-L37 WeakPolarHBondContact O-CG 3.46Å; K34-L37 PolarHBondContact O-N 2.99Å
35	Y	92.2	Very high	92.7	Very high	133 Å²	133	93.6 Å²	93.6	52%	0.522	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-70.2	-12.8	178.6	62.3	-100.7	0	0	0	114.1	R30 R33 L37	R30-Y35 PolarHBondContact NH1-OH 3Å; R33-Y35 VanDerWaalsContact C-N 3.26Å; R33-Y35 HydrophobicContact CB-CD1 3.78Å; R33-Y35 HydrophobicContact CB-CE1 3.4Å; R33-Y35 VanDerWaalsContact CB-CE1 3.4Å; R33-Y35 HydrophobicContact CB-CE2 4.26Å; R33-Y35 HydrophobicContact CB-CG 4.37Å; R33-Y35 HydrophobicContact CG-CE1 3.77Å; R33-Y35 PolarHBondContact O-N 2.76Å; Y35-L37 VanDerWaalsContact C-N 3.34Å
36	Q	92	Very high	92.8	Very high	17 Å²	17	87.4 Å²	87.4	8%	0.079	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-92.3	6.8	176.6	-59.9	176.1	-33.4	0	0	112.4	T12 K13 D14 R33 K34 G38	T12-Q36 CarbonylContact C-O 3.6Å; T12-Q36 WeakPolarHBondContact CA-O 3.48Å; K13-Q36 PolarHBondContact N-O 3.3Å; D14-Q36 HydrophobicContact CB-CG 4.47Å; R33-Q36 HydrophobicContact CB-CG 4.29Å; R33-Q36 WeakPolarHBondContact O-CB 3.44Å; R33-Q36 PolarHBondContact O-N 3.49Å; K34-Q36 PolarHBondContact O-N 2.85Å; Q36-G38 PolarHBondContact O-N 2.85Å
37	L	92.5	Very high	93	Very high	60 Å²	60	83.5 Å²	83.5	31%	0.314	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-63	137.5	-175.4	71.6	86.2	0	0	0	112.6	K13 K34 Y35 R39	K13-L37 VanDerWaalsContact CE-O 3.26Å; K13-L37 WeakPolarHBondContact CE-O 3.49Å; K34-L37 HydrophobicContact CG-CD2 4.28Å; K34-L37 WeakPolarHBondContact O-CB 3.37Å; K34-L37 WeakPolarHBondContact O-CD2 3.49Å; K34-L37 VanDerWaalsContact O-CG 3.27Å; K34-L37 WeakPolarHBondContact O-CG 3.46Å; K34-L37 PolarHBondContact O-N 2.99Å; Y35-L37 VanDerWaalsContact C-N 3.34Å; L37-R39 HydrophobicContact CD1-CG 3.87Å
38	G	92.8	Very high	93.3	Very high	15 Å²	15	81 Å²	81	16%	0.155	40%	0.396	C	S	.	.			trans	-93.1	158.4	159.6	0	0	0	0	0	110.7	I11 Q36	I11-G38 WeakPolarHBondContact O-CA 3.31Å; I11-G38 PolarHBondContact O-N 3.24Å; Q36-G38 PolarHBondContact O-N 2.85Å
39	R	93.5	Very high	93.7	Very high	101 Å²	101	82.7 Å²	82.7	38%	0.381	41%	0.406	S	S	.	.			trans	-128	152.5	168.2	-67.2	-173.1	175.8	91.1	-5.7	108.4	L37 R55	L37-R39 HydrophobicContact CD1-CG 3.87Å; R39-R55 PolarHBondContact NH2-O 2.92Å
40	P	94.5	Very high	94.1	Very high	86 Å²	86	83.1 Å²	83.1	56%	0.558	39%	0.391	S	S	*	.			trans	-53	147.4	172.7	-26.7	35.1	0	0	0	112.1	R64	P40-R64 PolarHBondContact O-NH2 3.09Å; P40-R64 VanDerWaalsContact O-NH2 3.1Å
41	P	95.3	Very high	94.5	Very high	93 Å²	93	81.4 Å²	81.4	60%	0.604	39%	0.389	S	S	*	.			trans	-63.8	157.3	176	29.6	-35.4	0	0	0	110.9
42	A	95.5	Very high	94.8	Very high	18 Å²	18	78.4 Å²	78.4	15%	0.149	38%	0.377	C	S	.	.			trans	-78.5	-34	-178.4	0	0	0	0	0	113	T44 R64	A42-T44 VanDerWaalsContact C-N 3.26Å; A42-T44 PolarHBondContact O-N 2.96Å; A42-R64 HydrophobicContact CB-CG 3.58Å
43	N	96.5	Very high	95.2	Very high	92 Å²	92	79.9 Å²	79.9	49%	0.492	39%	0.392	S	S	.	.			trans	44	51.3	-175.1	-63.1	-16.2	0	0	0	112.5	R45	N43-R45 WeakPolarHBondContact O-CG 3.4Å; N43-R45 PolarHBondContact O-N 3.09Å
44	T	97.9	Very high	95.4	Very high	3 Å²	3	75.1 Å²	75.1	2%	0.018	38%	0.377	C	S	.	.			trans	-57.7	126	-177.4	-48.6	0	0	0	0	110.2	A42 A65 L66 L68 T103 L104 P187	A42-T44 VanDerWaalsContact C-N 3.26Å; A42-T44 PolarHBondContact O-N 2.96Å; T44-A65 WeakPolarHBondContact CB-O 3.46Å; T44-A65 HydrophobicContact CG2-CB 3.54Å; T44-A65 PolarHBondContact OG1-O 3.24Å; T44-L66 WeakPolarHBondContact CA-O 3.35Å; T44-L68 HydrophobicContact CG2-CB 4.48Å; T44-L68 HydrophobicContact CG2-CD1 4.11Å; T44-L68 HydrophobicContact CG2-CG 4.08Å; T44-T103 CarbonylContact O-C 3.08Å; T44-T103 WeakPolarHBondContact O-CA 3.42Å; T44-L104 HydrophobicContact CG2-CB 4.32Å; T44-L104 HydrophobicContact CG2-CD1 4.32Å; T44-L104 PolarHBondContact O-N 3.03Å; T44-P187 HydrophobicContact CG2-CB 4.18Å
45	R	96.6	Very high	95.6	Very high	140 Å²	140	78 Å²	78	53%	0.528	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	165.9	178.2	-62.4	-169.5	-179.8	178.9	-1.2	111.8	N43 L66 R67 L68	N43-R45 WeakPolarHBondContact O-CG 3.4Å; N43-R45 PolarHBondContact O-N 3.09Å; R45-L66 PolarHBondContact N-O 2.8Å; R45-R67 CarbonylContact O-C 3.5Å; R45-R67 VanDerWaalsContact O-CA 3.24Å; R45-R67 WeakPolarHBondContact O-CA 3.39Å; R45-L68 PolarHBondContact O-N 3.25Å
46	I	96.9	Very high	95.7	Very high	47 Å²	47	73.1 Å²	73.1	24%	0.241	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.5	168.8	-57.4	175	0	0	0	109	L68 I86 V89 K102 L104	I46-L68 VanDerWaalsContact CA-O 3.31Å; I46-L68 WeakPolarHBondContact CA-O 3.41Å; I46-I86 HydrophobicContact CD1-CG2 4.13Å; I46-I86 HydrophobicContact CG1-CG2 4.36Å; I46-V89 HydrophobicContact CD1-CG2 4.21Å; I46-K102 HydrophobicContact CD1-CB 4.35Å; I46-L104 HydrophobicContact CD1-CD2 4.44Å; I46-L104 HydrophobicContact CG1-CD1 4.32Å; I46-L104 HydrophobicContact CG1-CD2 3.95Å; I46-L104 HydrophobicContact CG1-CG 4.26Å
47	G	96.3	Very high	95.8	Very high	14 Å²	14	82.2 Å²	82.2	14%	0.144	40%	0.402	C	S	.	.	S	Bend	trans	157.1	-179.5	177.6	0	0	0	0	0	113.2	K49 L68 E69	G47-K49 PolarHBondContact O-N 3.46Å; G47-L68 PolarHBondContact N-O 3.31Å; G47-L68 VanDerWaalsContact N-O 3.16Å; G47-L68 CarbonylContact O-C 3.51Å; G47-L68 WeakPolarHBondContact O-CA 3.47Å; G47-L68 PolarHBondContact O-N 3.47Å; G47-E69 WeakPolarHBondContact O-CB 3.4Å; G47-E69 PolarHBondContact O-N 2.83Å
48	P	96.8	Very high	96	Very high	82 Å²	82	82.8 Å²	82.8	53%	0.532	42%	0.422	S	S	.	.	S	Bend	trans	-57.6	134.5	-175.4	23.7	-34.5	0	0	0	110.7	R50 R67	P48-R50 PolarHBondContact O-N 3.05Å; P48-R50 VanDerWaalsContact O-N 3.1Å; P48-R67 WeakPolarHBondContact O-CB 3.4Å
49	K	97	Very high	96	Very high	155 Å²	155	84 Å²	84	67%	0.674	43%	0.434	S	S	*	.			trans	-51.8	115.6	-169.3	-176.9	179.2	178.7	-175.8	0	112	G47 V51 R67 L68	G47-K49 PolarHBondContact O-N 3.46Å; K49-V51 HydrophobicContact CG-CG2 4.24Å; K49-R67 WeakPolarHBondContact CA-O 3.46Å; K49-L68 HydrophobicContact CG-CD2 4.17Å
50	R	97.7	Very high	96.2	Very high	124 Å²	124	84.3 Å²	84.3	47%	0.468	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	112.1	173.4	-173.7	179.4	-69.5	-169.8	-4	109.8	P48 L66 R67	P48-R50 PolarHBondContact O-N 3.05Å; P48-R50 VanDerWaalsContact O-N 3.1Å; R50-L66 HydrophobicContact CG-CB 4.44Å; R50-L66 HydrophobicContact CG-CD1 4.39Å; R50-L66 PolarHBondContact O-N 3.07Å; R50-R67 HydrophobicContact CB-CB 4.15Å; R50-R67 PolarHBondContact N-O 3.38Å; R50-R67 PolarHBondContact O-N 3.1Å
51	V	97.4	Very high	96.3	Very high	47 Å²	47	85.1 Å²	85.1	29%	0.285	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.9	-177.1	-176.8	0	0	0	0	109.3	K49 F63 R64 A65 L68	K49-V51 HydrophobicContact CG-CG2 4.24Å; V51-F63 HydrophobicContact CG1-CB 3.78Å; V51-F63 HydrophobicContact CG1-CD1 4.41Å; V51-R64 WeakPolarHBondContact CA-O 3.48Å; V51-A65 HydrophobicContact CG2-CB 4.27Å; V51-L68 HydrophobicContact CG2-CD2 4.12Å
52	H	97.2	Very high	96.4	Very high	100 Å²	100	84.9 Å²	84.9	46%	0.463	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.8	176.7	-71.6	-162.8	0	0	0	110.5	R64	H52-R64 PolarHBondContact N-O 3.12Å; H52-R64 PolarHBondContact O-N 3.39Å
53	T	97.2	Very high	96.5	Very high	97 Å²	97	88.4 Å²	88.4	60%	0.595	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.3	172	55.3	0	0	0	0	110.5	K62 F63	T53-K62 CarbonylContact C-O 3.58Å; T53-K62 WeakPolarHBondContact CA-O 3.28Å; T53-F63 HydrophobicContact CG2-CD1 3.86Å; T53-F63 HydrophobicContact CG2-CE1 3.76Å
54	V	95.4	Very high	96.6	Very high	25 Å²	25	86.5 Å²	86.5	15%	0.152	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.1	177.8	-179.4	0	0	0	0	108.7	K62 R64	V54-K62 PolarHBondContact N-O 3.12Å; V54-K62 PolarHBondContact O-N 3.1Å; V54-R64 HydrophobicContact CG2-CB 4.24Å
55	R	96.2	Very high	96.6	Very high	190 Å²	190	86.3 Å²	86.3	72%	0.717	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	130.9	173.1	-170.8	176.9	-180	-176.8	1.3	110.8	R39 L61	R39-R55 PolarHBondContact NH2-O 2.92Å; R55-L61 HydrophobicContact CB-CD2 4.48Å
56	V	95.5	Very high	96.6	Very high	30 Å²	30	82.2 Å²	82.2	18%	0.182	42%	0.417	C	S	.	.			trans	-117.8	-176	-179.9	-59.3	0	0	0	0	112.2	G59 N60 K62	V56-G59 PolarHBondContact O-N 3.49Å; V56-N60 HydrophobicContact CG2-CB 3.76Å; V56-N60 VanDerWaalsContact CG2-O 3.28Å; V56-N60 WeakPolarHBondContact CG2-O 3.34Å; V56-N60 PolarHBondContact N-O 2.84Å; V56-K62 HydrophobicContact CG1-CB 4.19Å; V56-K62 HydrophobicContact CG1-CD 3.87Å; V56-K62 HydrophobicContact CG1-CG 3.76Å; V56-K62 HydrophobicContact CG2-CG 4.27Å
57	R	93.4	Very high	96.7	Very high	207 Å²	207	84.9 Å²	84.9	78%	0.781	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-59.5	141.8	179.2	-175.1	179.5	-178.2	-174	-0.7	109.8	G59	R57-G59 VanDerWaalsContact C-N 3.3Å
58	G	95.7	Very high	96.7	Very high	73 Å²	73	84.5 Å²	84.5	75%	0.753	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	79.5	8.6	-178.5	0	0	0	0	0	114.3	N60	G58-N60 PolarHBondContact O-N 3.09Å
59	G	94.3	Very high	96.7	Very high	39 Å²	39	84.5 Å²	84.5	40%	0.402	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	83.9	-9.2	-179.7	0	0	0	0	0	114.7	V56 R57	V56-G59 PolarHBondContact O-N 3.49Å; R57-G59 VanDerWaalsContact C-N 3.3Å
60	N	97.3	Very high	96.7	Very high	108 Å²	108	79.3 Å²	79.3	58%	0.578	39%	0.393	S	S	*	.			trans	-62.6	163	178.7	-63.8	-26.1	0	0	0	113.3	V56 G58	V56-N60 HydrophobicContact CG2-CB 3.76Å; V56-N60 VanDerWaalsContact CG2-O 3.28Å; V56-N60 WeakPolarHBondContact CG2-O 3.34Å; V56-N60 PolarHBondContact N-O 2.84Å; G58-N60 PolarHBondContact O-N 3.09Å
61	L	96.7	Very high	96.7	Very high	104 Å²	104	73.6 Å²	73.6	55%	0.545	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.5	177.3	-61	178.1	0	0	0	111.7	R55	R55-L61 HydrophobicContact CB-CD2 4.48Å
62	K	97.7	Very high	96.7	Very high	87 Å²	87	74.8 Å²	74.8	38%	0.378	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152	163.8	-71.5	-166.9	175.4	-172.3	0	109.6	T53 V54 V56	T53-K62 CarbonylContact C-O 3.58Å; T53-K62 WeakPolarHBondContact CA-O 3.28Å; V54-K62 PolarHBondContact N-O 3.12Å; V54-K62 PolarHBondContact O-N 3.1Å; V56-K62 HydrophobicContact CG1-CB 4.19Å; V56-K62 HydrophobicContact CG1-CD 3.87Å; V56-K62 HydrophobicContact CG1-CG 3.76Å; V56-K62 HydrophobicContact CG2-CG 4.27Å
63	F	97.5	Very high	96.8	Very high	93 Å²	93	70 Å²	70	41%	0.408	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.1	-177.4	-60.2	-84.6	0	0	0	109.2	V51 T53 Q189 V190 G191	V51-F63 HydrophobicContact CG1-CB 3.78Å; V51-F63 HydrophobicContact CG1-CD1 4.41Å; T53-F63 HydrophobicContact CG2-CD1 3.86Å; T53-F63 HydrophobicContact CG2-CE1 3.76Å; F63-Q189 PolarHBondContact N-O 2.94Å; F63-Q189 CarbonylContact O-C 3.52Å; F63-Q189 VanDerWaalsContact O-O 3.13Å; F63-V190 WeakPolarHBondContact CB-O 3.14Å; F63-V190 CarbonylContact O-C 3.58Å; F63-V190 PolarHBondContact O-N 3.26Å; F63-G191 PolarHBondContact O-N 3.25Å
64	R	97.5	Very high	96.8	Very high	51 Å²	51	67.1 Å²	67.1	19%	0.192	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	101.2	-179	-178	171.9	-72.9	160.4	-16.4	109.1	P40 A42 V51 H52 V54 L66	P40-R64 PolarHBondContact O-NH2 3.09Å; P40-R64 VanDerWaalsContact O-NH2 3.1Å; A42-R64 HydrophobicContact CB-CG 3.58Å; V51-R64 WeakPolarHBondContact CA-O 3.48Å; H52-R64 PolarHBondContact N-O 3.12Å; H52-R64 PolarHBondContact O-N 3.39Å; V54-R64 HydrophobicContact CG2-CB 4.24Å; R64-L66 HydrophobicContact CG-CD2 4.26Å; R64-L66 PolarHBondContact O-N 3.46Å
65	A	97.9	Very high	96.9	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.4	169.5	0	0	0	0	0	110.4	T44 V51 L68 P187	T44-A65 WeakPolarHBondContact CB-O 3.46Å; T44-A65 HydrophobicContact CG2-CB 3.54Å; T44-A65 PolarHBondContact OG1-O 3.24Å; V51-A65 HydrophobicContact CG2-CB 4.27Å; A65-L68 HydrophobicContact CB-CD1 3.66Å; A65-L68 HydrophobicContact CB-CD2 4.18Å; A65-L68 HydrophobicContact CB-CG 3.76Å; A65-P187 HydrophobicContact CB-CB 4.34Å; A65-P187 WeakPolarHBondContact CB-O 3.28Å; A65-P187 PolarHBondContact N-O 3.48Å
66	L	97.4	Very high	96.8	Very high	53 Å²	53	59.5 Å²	59.5	28%	0.277	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-36.9	168.3	-59.9	-179.2	0	0	0	110.3	T44 R45 R50 R64	T44-L66 WeakPolarHBondContact CA-O 3.35Å; R45-L66 PolarHBondContact N-O 2.8Å; R50-L66 HydrophobicContact CG-CB 4.44Å; R50-L66 HydrophobicContact CG-CD1 4.39Å; R50-L66 PolarHBondContact O-N 3.07Å; R64-L66 HydrophobicContact CG-CD2 4.26Å; R64-L66 PolarHBondContact O-N 3.46Å
67	R	97.9	Very high	96.8	Very high	103 Å²	103	61.6 Å²	61.6	39%	0.389	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.1	175.8	-63.1	178.4	-171.4	167.9	-1.1	110.4	R45 P48 K49 R50	R45-R67 CarbonylContact O-C 3.5Å; R45-R67 VanDerWaalsContact O-CA 3.24Å; R45-R67 WeakPolarHBondContact O-CA 3.39Å; P48-R67 WeakPolarHBondContact O-CB 3.4Å; K49-R67 WeakPolarHBondContact CA-O 3.46Å; R50-R67 HydrophobicContact CB-CB 4.15Å; R50-R67 PolarHBondContact N-O 3.38Å; R50-R67 PolarHBondContact O-N 3.1Å
68	L	97.6	Very high	96.8	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141.4	172.5	-66.1	173.7	0	0	0	109.5	T44 R45 I46 G47 K49 V51 A65 L104 P187 A193	T44-L68 HydrophobicContact CG2-CB 4.48Å; T44-L68 HydrophobicContact CG2-CD1 4.11Å; T44-L68 HydrophobicContact CG2-CG 4.08Å; R45-L68 PolarHBondContact O-N 3.25Å; I46-L68 VanDerWaalsContact CA-O 3.31Å; I46-L68 WeakPolarHBondContact CA-O 3.41Å; G47-L68 PolarHBondContact N-O 3.31Å; G47-L68 VanDerWaalsContact N-O 3.16Å; G47-L68 CarbonylContact O-C 3.51Å; G47-L68 WeakPolarHBondContact O-CA 3.47Å; G47-L68 PolarHBondContact O-N 3.47Å; K49-L68 HydrophobicContact CG-CD2 4.17Å; V51-L68 HydrophobicContact CG2-CD2 4.12Å; A65-L68 HydrophobicContact CB-CD1 3.66Å; A65-L68 HydrophobicContact CB-CD2 4.18Å; A65-L68 HydrophobicContact CB-CG 3.76Å; L68-L104 HydrophobicContact CB-CD1 4.03Å; L68-P187 HydrophobicContact CD1-CB 4.11Å; L68-A193 HydrophobicContact CD1-CB 3.75Å
69	E	96	Very high	96.7	Very high	82 Å²	82	53.1 Å²	53.1	38%	0.383	31%	0.308	S	S	.	.	S	Bend	trans	-117.7	-19.8	176.9	63.3	-163.8	154.6	0	0	112.9	G47 R85 I86	G47-E69 WeakPolarHBondContact O-CB 3.4Å; G47-E69 PolarHBondContact O-N 2.83Å; E69-R85 CarbonylContact O-C 3.07Å; E69-R85 WeakPolarHBondContact O-CA 3.29Å; E69-R85 WeakPolarHBondContact O-CG 3.41Å; E69-I86 PolarHBondContact O-N 3.29Å
70	T	97.4	Very high	96.7	Very high	45 Å²	45	51.5 Å²	51.5	28%	0.276	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150	179.3	56.6	0	0	0	0	110.9	K83 T84	T70-K83 WeakPolarHBondContact OG1-CE 3.46Å; T70-T84 VanDerWaalsContact CA-O 3.25Å; T70-T84 WeakPolarHBondContact CA-O 3.14Å
71	G	97	Very high	96.7	Very high	5 Å²	5	49.5 Å²	49.5	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	164.4	171.8	0	0	0	0	0	111.2	K83 T84 A193	G71-K83 WeakPolarHBondContact O-CA 3.44Å; G71-T84 PolarHBondContact N-O 3.32Å; G71-T84 PolarHBondContact O-N 3.45Å; G71-A193 WeakPolarHBondContact CA-O 3.5Å
72	N	98	Very high	96.8	Very high	72 Å²	72	49.6 Å²	49.6	39%	0.385	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.8	168.5	-165.4	23.8	0	0	0	109.3	T81 R82 D194 G195	N72-T81 WeakPolarHBondContact ND2-CG2 3.4Å; N72-T81 WeakPolarHBondContact OD1-CG2 3.4Å; N72-R82 VanDerWaalsContact OD1-C 3.3Å; N72-R82 PolarHBondContact OD1-O 2.7Å; N72-D194 HydrophobicContact CB-CB 4.44Å; N72-D194 WeakPolarHBondContact CB-OD1 3.21Å; N72-D194 PolarHBondContact N-OD1 2.87Å; N72-D194 VanDerWaalsContact N-OD1 3.14Å; N72-D194 CarbonylContact O-C 3.54Å; N72-D194 WeakPolarHBondContact O-CA 3.46Å; N72-D194 WeakPolarHBondContact O-CB 3.19Å; N72-G195 PolarHBondContact O-N 3.39Å
73	F	98.4	Very high	96.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.1	-176.9	-67.5	-90	0	0	0	110.5	T81 R82 T84 I86 V110 V112 F117 A181 I183 G195	F73-T81 WeakPolarHBondContact O-CA 3.31Å; F73-R82 PolarHBondContact N-O 3.11Å; F73-R82 PolarHBondContact O-N 3.21Å; F73-T84 WeakPolarHBondContact CD2-OG1 3.38Å; F73-I86 HydrophobicContact CE2-CD1 4.09Å; F73-I86 HydrophobicContact CE2-CG1 3.7Å; F73-I86 HydrophobicContact CZ-CD1 4Å; F73-I86 HydrophobicContact CZ-CG1 3.86Å; F73-V110 HydrophobicContact CE1-CG2 3.99Å; F73-V110 HydrophobicContact CZ-CG2 3.96Å; F73-V112 HydrophobicContact CD1-CG1 4.25Å; F73-V112 HydrophobicContact CD2-CG1 3.87Å; F73-V112 HydrophobicContact CE1-CG1 3.99Å; F73-V112 HydrophobicContact CE2-CG1 3.56Å; F73-V112 HydrophobicContact CG-CG1 4.19Å; F73-V112 HydrophobicContact CZ-CG1 3.63Å; F73-F117 HydrophobicContact CB-CZ 4.04Å; F73-F117 WeakPolarHBondContact O-CZ 3.44Å; F73-A181 HydrophobicContact CD1-CB 3.62Å; F73-A181 HydrophobicContact CE1-CB 3.81Å; F73-A181 HydrophobicContact CG-CB 4.47Å; F73-I183 HydrophobicContact CE1-CG1 4.44Å; F73-I183 HydrophobicContact CZ-CG1 4.48Å; F73-G195 CarbonylContact C-O 3.59Å; F73-G195 VanDerWaalsContact CA-O 3.32Å; F73-G195 WeakPolarHBondContact CA-O 3.41Å
74	S	98	Very high	96.8	Very high	36 Å²	36	48.3 Å²	48.3	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.5	-179.6	-162.4	0	0	0	0	111.1	T81 G195 Y196 I197	S74-T81 WeakPolarHBondContact CB-OG1 3.49Å; S74-T81 PolarHBondContact OG-OG1 3.43Å; S74-G195 PolarHBondContact N-O 2.97Å; S74-Y196 CarbonylContact O-C 3.51Å; S74-Y196 WeakPolarHBondContact O-CA 3.43Å; S74-I197 PolarHBondContact O-N 2.81Å
75	W	97.2	Very high	96.8	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.1	165.9	-168	0.9	0	0	0	107.6	S77 E78 G79 C80 F117 W120 Y121 L129 V166 L170 F174 I197 E199	W75-S77 PolarHBondContact NE1-OG 3.49Å; W75-E78 HydrophobicContact CD2-CB 3.78Å; W75-E78 HydrophobicContact CD2-CG 3.6Å; W75-E78 VanDerWaalsContact CE2-CG 3.47Å; W75-E78 HydrophobicContact CE3-CB 3.92Å; W75-E78 HydrophobicContact CE3-CG 3.76Å; W75-E78 HydrophobicContact CG-CB 4.08Å; W75-E78 HydrophobicContact CG-CG 4.28Å; W75-E78 HydrophobicContact CH2-CG 3.72Å; W75-E78 HydrophobicContact CZ2-CG 3.54Å; W75-E78 HydrophobicContact CZ3-CB 4.4Å; W75-E78 HydrophobicContact CZ3-CG 3.83Å; W75-G79 PolarHBondContact O-N 3.48Å; W75-G79 VanDerWaalsContact O-N 3.1Å; W75-C80 HydrophobicContact CB-CB 4.33Å; W75-C80 WeakPolarHBondContact CB-O 3.48Å; W75-C80 PolarHBondContact N-O 3.08Å; W75-C80 PolarHBondContact O-N 2.93Å; W75-F117 HydrophobicContact CB-CD1 4.05Å; W75-F117 HydrophobicContact CB-CE1 4.07Å; W75-F117 HydrophobicContact CE3-CB 4.15Å; W75-F117 HydrophobicContact CE3-CD1 4.3Å; W75-F117 HydrophobicContact CZ3-CB 4.47Å; W75-W120 HydrophobicContact CE3-CE3 4.3Å; W75-W120 HydrophobicContact CE3-CZ3 4.27Å; W75-W120 HydrophobicContact CZ3-CE3 4.15Å; W75-W120 HydrophobicContact CZ3-CZ3 4.09Å; W75-Y121 AromaticContact CH2-CD2 3.84Å; W75-Y121 HydrophobicContact CH2-CD2 3.84Å; W75-Y121 HydrophobicContact CZ3-CD2 4.16Å; W75-L129 HydrophobicContact CH2-CD2 4.27Å; W75-V166 HydrophobicContact CH2-CG2 4.29Å; W75-V166 HydrophobicContact CZ2-CG1 4.31Å; W75-V166 HydrophobicContact CZ2-CG2 4.31Å; W75-L170 HydrophobicContact CZ2-CD2 3.68Å; W75-F174 HydrophobicContact CE3-CZ 4.35Å; W75-F174 AromaticContact CH2-CE2 3.87Å; W75-F174 HydrophobicContact CH2-CE2 3.87Å; W75-F174 AromaticContact CH2-CZ 3.83Å; W75-F174 HydrophobicContact CH2-CZ 3.83Å; W75-F174 AromaticContact CZ2-CE2 4Å; W75-F174 HydrophobicContact CZ2-CE2 4Å; W75-F174 HydrophobicContact CZ2-CZ 4.25Å; W75-F174 HydrophobicContact CZ3-CE2 4.39Å; W75-F174 AromaticContact CZ3-CZ 3.88Å; W75-F174 HydrophobicContact CZ3-CZ 3.88Å; W75-I197 HydrophobicContact CB-CD1 3.63Å; W75-I197 HydrophobicContact CG-CD1 3.91Å; W75-E199 PolarHBondContact NE1-OE1 2.9Å
76	G	94.8	Very high	96.7	Very high	53 Å²	53	53.4 Å²	53.4	55%	0.546	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-47.8	-166.6	0	0	0	0	0	113.4	E78 G79	G76-E78 VanDerWaalsContact C-N 3.33Å; G76-E78 PolarHBondContact O-N 2.96Å; G76-G79 PolarHBondContact O-N 2.88Å
77	S	94.3	Very high	96.7	Very high	75 Å²	75	54 Å²	54	52%	0.524	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-40.9	179.2	54.8	0	0	0	0	113.5	W75 E199	W75-S77 PolarHBondContact NE1-OG 3.49Å; S77-E199 WeakPolarHBondContact CB-OE1 3.3Å; S77-E199 PolarHBondContact N-OE2 3.5Å; S77-E199 PolarHBondContact OG-OE1 3.05Å; S77-E199 PolarHBondContact OG-OE2 3.32Å
78	E	93.2	Very high	96.6	Very high	36 Å²	36	51.7 Å²	51.7	17%	0.168	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.2	-174.8	-68	-59.6	151.1	0	0	114.3	W75 G76 C80 W120 Y125	W75-E78 HydrophobicContact CD2-CB 3.78Å; W75-E78 HydrophobicContact CD2-CG 3.6Å; W75-E78 VanDerWaalsContact CE2-CG 3.47Å; W75-E78 HydrophobicContact CE3-CB 3.92Å; W75-E78 HydrophobicContact CE3-CG 3.76Å; W75-E78 HydrophobicContact CG-CB 4.08Å; W75-E78 HydrophobicContact CG-CG 4.28Å; W75-E78 HydrophobicContact CH2-CG 3.72Å; W75-E78 HydrophobicContact CZ2-CG 3.54Å; W75-E78 HydrophobicContact CZ3-CB 4.4Å; W75-E78 HydrophobicContact CZ3-CG 3.83Å; G76-E78 VanDerWaalsContact C-N 3.33Å; G76-E78 PolarHBondContact O-N 2.96Å; E78-C80 HydrophobicContact CB-CB 4.4Å; E78-C80 PolarHBondContact O-N 3.25Å; E78-W120 HydrophobicContact CB-CH2 3.62Å; E78-W120 HydrophobicContact CB-CZ3 3.62Å; E78-W120 HydrophobicContact CG-CH2 4.22Å; E78-W120 HydrophobicContact CG-CZ3 3.9Å; E78-W120 WeakPolarHBondContact OE2-CH2 3.27Å; E78-Y125 VanDerWaalsContact OE2-CE2 3.28Å; E78-Y125 WeakPolarHBondContact OE2-CE2 3.21Å; E78-Y125 PolarHBondContact OE2-OH 3.13Å
79	G	93.7	Very high	96.6	Very high	65 Å²	65	51.5 Å²	51.5	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	20.7	-175.4	0	0	0	0	0	114.1	W75 G76	W75-G79 PolarHBondContact O-N 3.48Å; W75-G79 VanDerWaalsContact O-N 3.1Å; G76-G79 PolarHBondContact O-N 2.88Å
80	C	95.1	Very high	96.6	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.1	-175.5	179.1	0	0	0	0	111.1	W75 E78 W120	W75-C80 HydrophobicContact CB-CB 4.33Å; W75-C80 WeakPolarHBondContact CB-O 3.48Å; W75-C80 PolarHBondContact N-O 3.08Å; W75-C80 PolarHBondContact O-N 2.93Å; E78-C80 HydrophobicContact CB-CB 4.4Å; E78-C80 PolarHBondContact O-N 3.25Å; C80-W120 HydrophobicContact CB-CD2 3.71Å; C80-W120 HydrophobicContact CB-CE3 3.86Å; C80-W120 HydrophobicContact CB-CG 4.29Å; C80-W120 HydrophobicContact CB-CH2 4.17Å; C80-W120 HydrophobicContact CB-CZ2 3.97Å; C80-W120 HydrophobicContact CB-CZ3 4.1Å
81	T	98	Very high	96.6	Very high	67 Å²	67	49 Å²	49	41%	0.411	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.8	178.1	-61.4	0	0	0	0	110.2	N72 F73 S74	N72-T81 WeakPolarHBondContact ND2-CG2 3.4Å; N72-T81 WeakPolarHBondContact OD1-CG2 3.4Å; F73-T81 WeakPolarHBondContact O-CA 3.31Å; S74-T81 WeakPolarHBondContact CB-OG1 3.49Å; S74-T81 PolarHBondContact OG-OG1 3.43Å
82	R	97.7	Very high	96.6	Very high	106 Å²	106	48.9 Å²	48.9	40%	0.4	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.1	-176.3	-65.5	-64.8	-172.4	166.3	6.2	111.7	N72 F73 T84 P116 F117	N72-R82 VanDerWaalsContact OD1-C 3.3Å; N72-R82 PolarHBondContact OD1-O 2.7Å; F73-R82 PolarHBondContact N-O 3.11Å; F73-R82 PolarHBondContact O-N 3.21Å; R82-T84 HydrophobicContact CB-CG2 4.16Å; R82-T84 PolarHBondContact O-N 3.11Å; R82-P116 HydrophobicContact CB-CB 3.85Å; R82-P116 HydrophobicContact CG-CB 4.11Å; R82-F117 HydrophobicContact CB-CD1 4.27Å; R82-F117 HydrophobicContact CB-CE1 3.83Å; R82-F117 HydrophobicContact CB-CZ 4.04Å; R82-F117 HydrophobicContact CG-CD1 4.11Å; R82-F117 HydrophobicContact CG-CE1 4.05Å
83	K	97.6	Very high	96.5	Very high	150 Å²	150	48.8 Å²	48.8	65%	0.652	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	117	166.7	-176.5	-176.9	177	-169.4	0	108.4	T70 G71	T70-K83 WeakPolarHBondContact OG1-CE 3.46Å; G71-K83 WeakPolarHBondContact O-CA 3.44Å
84	T	97.2	Very high	96.3	Very high	3 Å²	3	54 Å²	54	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.6	-179.9	65.5	0	0	0	0	110.7	T70 G71 F73 R82 P116 F117	T70-T84 VanDerWaalsContact CA-O 3.25Å; T70-T84 WeakPolarHBondContact CA-O 3.14Å; G71-T84 PolarHBondContact N-O 3.32Å; G71-T84 PolarHBondContact O-N 3.45Å; F73-T84 WeakPolarHBondContact CD2-OG1 3.38Å; R82-T84 HydrophobicContact CB-CG2 4.16Å; R82-T84 PolarHBondContact O-N 3.11Å; T84-P116 HydrophobicContact CG2-CB 4.07Å; T84-P116 HydrophobicContact CG2-CG 3.78Å; T84-F117 HydrophobicContact CG2-CD2 4.01Å; T84-F117 HydrophobicContact CG2-CE2 3.35Å; T84-F117 HydrophobicContact CG2-CZ 3.88Å
85	R	97.6	Very high	96.2	Very high	156 Å²	156	54.5 Å²	54.5	59%	0.589	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.1	176.9	-179.5	177.9	159	-177.9	-6	109.5	E69 V112 D113	E69-R85 CarbonylContact O-C 3.07Å; E69-R85 WeakPolarHBondContact O-CA 3.29Å; E69-R85 WeakPolarHBondContact O-CG 3.41Å; R85-V112 WeakPolarHBondContact O-CA 3.21Å; R85-D113 PolarHBondContact O-N 2.69Å; R85-D113 VanDerWaalsContact O-N 3.09Å
86	I	97.7	Very high	96	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.5	171.5	-57.4	172.2	0	0	0	107.2	I46 E69 F73 L104 V110 A193	I46-I86 HydrophobicContact CD1-CG2 4.13Å; I46-I86 HydrophobicContact CG1-CG2 4.36Å; E69-I86 PolarHBondContact O-N 3.29Å; F73-I86 HydrophobicContact CE2-CD1 4.09Å; F73-I86 HydrophobicContact CE2-CG1 3.7Å; F73-I86 HydrophobicContact CZ-CD1 4Å; F73-I86 HydrophobicContact CZ-CG1 3.86Å; I86-L104 HydrophobicContact CD1-CD1 4.19Å; I86-L104 HydrophobicContact CG2-CD2 4.07Å; I86-V110 HydrophobicContact CG2-CB 4.13Å; I86-V110 HydrophobicContact CG2-CG1 4.3Å; I86-A193 HydrophobicContact CD1-CB 3.59Å
87	M	95.9	Very high	96	Very high	66 Å²	66	60.8 Å²	60.8	33%	0.325	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-49.1	-176.6	-58.1	-172.1	79.5	0	0	111.7	V111 R178	M87-V111 HydrophobicContact CB-CG1 4.21Å; M87-V111 PolarHBondContact N-O 3.09Å; M87-V111 HydrophobicContact SD-CG1 4.3Å; M87-R178 HydrophobicContact SD-CG 3.91Å
88	D	97	Very high	96.1	Very high	54 Å²	54	59.1 Å²	59.1	29%	0.289	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.8	-176.4	-151.7	11.9	0	0	0	113	K102 V110 V111	D88-K102 WeakPolarHBondContact OD1-CD 3.39Å; D88-K102 WeakPolarHBondContact OD1-CE 3.44Å; D88-K102 IonicContact OD1-NZ 2.83Å; D88-K102 PolarHBondContact OD1-NZ 3.09Å; D88-K102 IonicContact OD2-NZ 3.19Å; D88-V110 CarbonylContact O-C 3.56Å; D88-V110 WeakPolarHBondContact O-CA 3.44Å; D88-V110 WeakPolarHBondContact O-CB 3.28Å; D88-V111 PolarHBondContact O-N 3.36Å
89	V	96.9	Very high	96.3	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	122.8	168.6	-174.2	0	0	0	0	107.7	I46 V99 K102 L104 A108 V110	I46-V89 HydrophobicContact CD1-CG2 4.21Å; V89-V99 HydrophobicContact CG1-CG2 4.41Å; V89-V99 WeakPolarHBondContact O-CG1 3.2Å; V89-K102 HydrophobicContact CG2-CB 4.45Å; V89-L104 HydrophobicContact CG2-CD2 3.65Å; V89-A108 HydrophobicContact CG1-CB 4.31Å; V89-V110 HydrophobicContact CG2-CG1 4.11Å
90	V	96.3	Very high	96.3	Very high	38 Å²	38	63.6 Å²	63.6	23%	0.23	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-37.2	-173.4	-178.2	0	0	0	0	111.9	V99 V109 V111 I210 R213	V90-V99 WeakPolarHBondContact O-CG1 3.28Å; V90-V109 PolarHBondContact N-O 2.98Å; V90-V111 HydrophobicContact CG2-CB 4.46Å; V90-V111 HydrophobicContact CG2-CG2 3.4Å; V90-I210 HydrophobicContact CB-CD1 4.48Å; V90-I210 HydrophobicContact CG1-CD1 3.67Å; V90-I210 HydrophobicContact CG1-CG1 3.93Å; V90-I210 HydrophobicContact CG1-CG2 3.83Å; V90-R213 PolarHBondContact O-NH1 3.26Å
91	Y	97.2	Very high	96.4	Very high	36 Å²	36	65.5 Å²	65.5	14%	0.141	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	145.5	-179	179.8	-92.6	0	0	0	111.9	A93 V109 Y206 K209	Y91-A93 HydrophobicContact CE1-CB 4.03Å; Y91-V109 HydrophobicContact CD1-CG2 3.89Å; Y91-V109 HydrophobicContact CG-CG2 4.49Å; Y91-V109 PolarHBondContact N-O 3.01Å; Y91-V109 PolarHBondContact O-N 3.21Å; Y91-Y206 AromaticContact CD1-CD1 3.76Å; Y91-Y206 HydrophobicContact CD1-CD1 3.76Å; Y91-Y206 AromaticContact CD1-CE1 3.81Å; Y91-Y206 HydrophobicContact CD1-CE1 3.81Å; Y91-Y206 AromaticContact CE1-CD1 3.91Å; Y91-Y206 HydrophobicContact CE1-CD1 3.91Å; Y91-Y206 AromaticContact CE1-CE1 3.71Å; Y91-Y206 HydrophobicContact CE1-CE1 3.71Å; Y91-K209 HydrophobicContact CE2-CB 4.04Å
92	N	97	Very high	96.3	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	122.4	174.3	-170.2	-49.1	0	0	0	108.5	S94 S95 L98 V99 V105	N92-S94 VanDerWaalsContact C-N 3.28Å; N92-S94 PolarHBondContact O-N 3.13Å; N92-S94 WeakPolarHBondContact OD1-CB 3.2Å; N92-S94 PolarHBondContact OD1-N 3.01Å; N92-S95 PolarHBondContact OD1-N 3.27Å; N92-L98 HydrophobicContact CB-CB 4.44Å; N92-L98 WeakPolarHBondContact ND2-CD1 3.48Å; N92-V99 HydrophobicContact CB-CG2 3.58Å; N92-V105 WeakPolarHBondContact ND2-CG2 3.28Å
93	A	94.9	Very high	96.3	Very high	69 Å²	69	61.9 Å²	61.9	57%	0.57	31%	0.313	S	S	*	.	S	Bend	trans	-70.1	-23.6	-177.1	0	0	0	0	0	113.6	Y91	Y91-A93 HydrophobicContact CE1-CB 4.03Å
94	S	95.5	Very high	96.3	Very high	110 Å²	110	54.8 Å²	54.8	77%	0.769	28%	0.282	S	S	*	.	S	Bend	trans	-88.2	-40.6	-174.6	-56.4	0	0	0	0	113.4	N92	N92-S94 VanDerWaalsContact C-N 3.28Å; N92-S94 PolarHBondContact O-N 3.13Å; N92-S94 WeakPolarHBondContact OD1-CB 3.2Å; N92-S94 PolarHBondContact OD1-N 3.01Å
95	S	95.1	Very high	96.3	Very high	47 Å²	47	56.7 Å²	56.7	33%	0.329	29%	0.294	S	S	.	.			trans	-158.9	130.6	-178	177.8	0	0	0	0	111.7	N92 E97 L98	N92-S95 PolarHBondContact OD1-N 3.27Å; S95-E97 PolarHBondContact O-N 3.08Å; S95-E97 PolarHBondContact OG-N 3.31Å; S95-L98 PolarHBondContact O-N 3.35Å
96	N	93.4	Very high	96.3	Very high	86 Å²	86	54.5 Å²	54.5	46%	0.46	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.7	176.9	-71.4	-20	0	0	0	112.8	L98 V99 R100	N96-L98 PolarHBondContact O-N 2.84Å; N96-V99 WeakPolarHBondContact O-CB 3.42Å; N96-V99 PolarHBondContact O-N 3.27Å; N96-V99 VanDerWaalsContact O-N 3.09Å; N96-R100 PolarHBondContact O-N 2.94Å
97	E	95.4	Very high	96.3	Very high	99 Å²	99	58.2 Å²	58.2	46%	0.463	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-33.5	177.4	-69.2	-53.9	119.2	0	0	112.1	S95 V99 R100 T101	S95-E97 PolarHBondContact O-N 3.08Å; S95-E97 PolarHBondContact OG-N 3.31Å; E97-V99 PolarHBondContact O-N 3.02Å; E97-R100 PolarHBondContact O-N 3.43Å; E97-R100 IonicContact OE2-CZ 3.27Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.84Å; E97-R100 PolarHBondContact OE2-NE 3.41Å; E97-R100 IonicContact OE2-NH2 3.89Å; E97-R100 PolarHBondContact OE2-NH2 2.89Å; E97-T101 PolarHBondContact O-N 3.47Å; E97-T101 PolarHBondContact O-OG1 3.24Å
98	L	96.1	Very high	96.4	Very high	40 Å²	40	55 Å²	55	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-26	178.7	-61.9	177	0	0	0	112.4	N92 S95 N96 K102 T103 V105	N92-L98 HydrophobicContact CB-CB 4.44Å; N92-L98 WeakPolarHBondContact ND2-CD1 3.48Å; S95-L98 PolarHBondContact O-N 3.35Å; N96-L98 PolarHBondContact O-N 2.84Å; L98-K102 PolarHBondContact O-N 3.21Å; L98-T103 HydrophobicContact CD2-CG2 4.14Å; L98-T103 PolarHBondContact O-N 2.82Å; L98-V105 HydrophobicContact CD1-CG1 4.49Å; L98-V105 HydrophobicContact CD1-CG2 4.26Å
99	V	96.1	Very high	96.4	Very high	17 Å²	17	52.5 Å²	52.5	10%	0.103	28%	0.279	C	S	.	.	H	α-helix	trans	-73.7	-47.5	172.9	-176.6	0	0	0	0	109.7	V89 V90 N92 N96 E97 T101 K102	V89-V99 HydrophobicContact CG1-CG2 4.41Å; V89-V99 WeakPolarHBondContact O-CG1 3.2Å; V90-V99 WeakPolarHBondContact O-CG1 3.28Å; N92-V99 HydrophobicContact CB-CG2 3.58Å; N96-V99 WeakPolarHBondContact O-CB 3.42Å; N96-V99 PolarHBondContact O-N 3.27Å; N96-V99 VanDerWaalsContact O-N 3.09Å; E97-V99 PolarHBondContact O-N 3.02Å; V99-T101 VanDerWaalsContact C-N 3.29Å; V99-T101 PolarHBondContact O-N 3.21Å; V99-K102 PolarHBondContact O-N 3.38Å
100	R	95.1	Very high	96.5	Very high	178 Å²	178	52.3 Å²	52.3	67%	0.672	28%	0.278	S	S	*	.	H	α-helix	trans	-58	-40.5	179.5	-170.7	179	65.8	85.4	-1.6	112.3	N96 E97 K102	N96-R100 PolarHBondContact O-N 2.94Å; E97-R100 PolarHBondContact O-N 3.43Å; E97-R100 IonicContact OE2-CZ 3.27Å; E97-R100 VanDerWaalsContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.84Å; E97-R100 PolarHBondContact OE2-NE 3.41Å; E97-R100 IonicContact OE2-NH2 3.89Å; E97-R100 PolarHBondContact OE2-NH2 2.89Å; R100-K102 VanDerWaalsContact C-N 3.33Å
101	T	96.4	Very high	96.5	Very high	45 Å²	45	51.4 Å²	51.4	28%	0.276	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.2	178.6	66.5	0	0	0	0	114.1	E97 V99 T103	E97-T101 PolarHBondContact O-N 3.47Å; E97-T101 PolarHBondContact O-OG1 3.24Å; V99-T101 VanDerWaalsContact C-N 3.29Å; V99-T101 PolarHBondContact O-N 3.21Å; T101-T103 VanDerWaalsContact C-N 3.34Å; T101-T103 PolarHBondContact O-N 3.36Å; T101-T103 PolarHBondContact OG1-OG1 2.9Å
102	K	96.5	Very high	96.6	Very high	93 Å²	93	49.7 Å²	49.7	40%	0.404	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	46.8	-178.2	-53.3	-172.7	176.9	-142.1	0	113.4	I46 D88 V89 L98 V99 R100	I46-K102 HydrophobicContact CD1-CB 4.35Å; D88-K102 WeakPolarHBondContact OD1-CD 3.39Å; D88-K102 WeakPolarHBondContact OD1-CE 3.44Å; D88-K102 IonicContact OD1-NZ 2.83Å; D88-K102 PolarHBondContact OD1-NZ 3.09Å; D88-K102 IonicContact OD2-NZ 3.19Å; V89-K102 HydrophobicContact CG2-CB 4.45Å; L98-K102 PolarHBondContact O-N 3.21Å; V99-K102 PolarHBondContact O-N 3.38Å; R100-K102 VanDerWaalsContact C-N 3.33Å
103	T	97.7	Very high	96.6	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.025	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-88.3	123.2	-177.6	-55	0	0	0	0	111.2	T44 L98 T101 V105	T44-T103 CarbonylContact O-C 3.08Å; T44-T103 WeakPolarHBondContact O-CA 3.42Å; L98-T103 HydrophobicContact CD2-CG2 4.14Å; L98-T103 PolarHBondContact O-N 2.82Å; T101-T103 VanDerWaalsContact C-N 3.34Å; T101-T103 PolarHBondContact O-N 3.36Å; T101-T103 PolarHBondContact OG1-OG1 2.9Å; T103-V105 HydrophobicContact CG2-CG1 4.03Å; T103-V105 PolarHBondContact O-N 3.23Å
104	L	97.3	Very high	96.7	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	25%	0.251	C	S	.	.			trans	-82	111.2	177.4	-54.5	178.7	0	0	0	110.5	T44 I46 L68 I86 V89 V110 I183 P187	T44-L104 HydrophobicContact CG2-CB 4.32Å; T44-L104 HydrophobicContact CG2-CD1 4.32Å; T44-L104 PolarHBondContact O-N 3.03Å; I46-L104 HydrophobicContact CD1-CD2 4.44Å; I46-L104 HydrophobicContact CG1-CD1 4.32Å; I46-L104 HydrophobicContact CG1-CD2 3.95Å; I46-L104 HydrophobicContact CG1-CG 4.26Å; L68-L104 HydrophobicContact CB-CD1 4.03Å; I86-L104 HydrophobicContact CD1-CD1 4.19Å; I86-L104 HydrophobicContact CG2-CD2 4.07Å; V89-L104 HydrophobicContact CG2-CD2 3.65Å; L104-V110 HydrophobicContact CD2-CG1 4.13Å; L104-I183 HydrophobicContact CB-CD1 4.09Å; L104-I183 HydrophobicContact CD2-CD1 3.92Å; L104-P187 HydrophobicContact CB-CG 4.34Å
105	V	97.6	Very high	96.6	Very high	43 Å²	43	45.1 Å²	45.1	26%	0.261	23%	0.226	S	C	.	.			trans	-130.8	166.5	175.4	-61.6	0	0	0	0	110.3	N92 L98 T103 N107 A108	N92-V105 WeakPolarHBondContact ND2-CG2 3.28Å; L98-V105 HydrophobicContact CD1-CG1 4.49Å; L98-V105 HydrophobicContact CD1-CG2 4.26Å; T103-V105 HydrophobicContact CG2-CG1 4.03Å; T103-V105 PolarHBondContact O-N 3.23Å; V105-N107 PolarHBondContact O-N 3.29Å; V105-A108 HydrophobicContact CG2-CB 4.05Å; V105-A108 VanDerWaalsContact O-CB 3.28Å; V105-A108 WeakPolarHBondContact O-CB 3.29Å; V105-A108 PolarHBondContact O-N 3.39Å
106	K	97.8	Very high	96.7	Very high	109 Å²	109	44 Å²	44	47%	0.474	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	139.7	172.4	-177.3	173.8	179.7	-176.7	0	109.8	A108 A184 S185 R186	K106-A108 PolarHBondContact O-N 2.95Å; K106-A184 WeakPolarHBondContact CE-O 3.49Å; K106-S185 WeakPolarHBondContact CA-O 3.19Å; K106-S185 VanDerWaalsContact CB-O 3.28Å; K106-S185 WeakPolarHBondContact CB-O 3.45Å; K106-R186 HydrophobicContact CB-CG 4.07Å; K106-R186 HydrophobicContact CD-CG 3.97Å; K106-R186 HydrophobicContact CG-CG 4.5Å
107	N	97.1	Very high	96.8	Very high	79 Å²	79	39.9 Å²	39.9	42%	0.422	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	17.9	-176.9	-62.4	6.6	0	0	0	114.4	V105 I183	V105-N107 PolarHBondContact O-N 3.29Å; N107-I183 WeakPolarHBondContact CA-O 3.41Å; N107-I183 PolarHBondContact N-O 2.99Å
108	A	97.5	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.4	165.8	0	0	0	0	0	109.2	V89 V105 K106 V110 I183	V89-A108 HydrophobicContact CG1-CB 4.31Å; V105-A108 HydrophobicContact CG2-CB 4.05Å; V105-A108 VanDerWaalsContact O-CB 3.28Å; V105-A108 WeakPolarHBondContact O-CB 3.29Å; V105-A108 PolarHBondContact O-N 3.39Å; K106-A108 PolarHBondContact O-N 2.95Å; A108-V110 HydrophobicContact CB-CG1 4.47Å; A108-I183 HydrophobicContact CB-CD1 4.49Å; A108-I183 PolarHBondContact O-N 3.05Å
109	V	97.8	Very high	96.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.6	170.8	-177.4	0	0	0	0	107.6	V90 Y91 L180 A181 V182 L198 Y206	V90-V109 PolarHBondContact N-O 2.98Å; Y91-V109 HydrophobicContact CD1-CG2 3.89Å; Y91-V109 HydrophobicContact CG-CG2 4.49Å; Y91-V109 PolarHBondContact N-O 3.01Å; Y91-V109 PolarHBondContact O-N 3.21Å; V109-L180 HydrophobicContact CG1-CD2 4.18Å; V109-A181 CarbonylContact C-O 3.59Å; V109-A181 WeakPolarHBondContact CA-O 3.48Å; V109-V182 HydrophobicContact CG2-CG2 4.16Å; V109-L198 HydrophobicContact CG1-CD1 3.87Å; V109-L198 HydrophobicContact CG2-CD1 4.44Å; V109-Y206 HydrophobicContact CG2-CD1 3.66Å; V109-Y206 HydrophobicContact CG2-CD2 4.35Å; V109-Y206 HydrophobicContact CG2-CE1 3.73Å; V109-Y206 HydrophobicContact CG2-CE2 4.4Å; V109-Y206 HydrophobicContact CG2-CG 3.98Å
110	V	97.8	Very high	96.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.6	-176.2	-63.9	0	0	0	0	110.6	F73 I86 D88 V89 L104 A108 V112 A181 I183	F73-V110 HydrophobicContact CE1-CG2 3.99Å; F73-V110 HydrophobicContact CZ-CG2 3.96Å; I86-V110 HydrophobicContact CG2-CB 4.13Å; I86-V110 HydrophobicContact CG2-CG1 4.3Å; D88-V110 CarbonylContact O-C 3.56Å; D88-V110 WeakPolarHBondContact O-CA 3.44Å; D88-V110 WeakPolarHBondContact O-CB 3.28Å; V89-V110 HydrophobicContact CG2-CG1 4.11Å; L104-V110 HydrophobicContact CD2-CG1 4.13Å; A108-V110 HydrophobicContact CB-CG1 4.47Å; V110-V112 HydrophobicContact CG2-CG1 4Å; V110-A181 HydrophobicContact CG2-CB 4.28Å; V110-A181 WeakPolarHBondContact CG2-O 3.39Å; V110-A181 PolarHBondContact N-O 3.15Å; V110-A181 PolarHBondContact O-N 2.92Å; V110-I183 HydrophobicContact CG1-CD1 3.75Å; V110-I183 HydrophobicContact CG1-CG1 4.09Å; V110-I183 HydrophobicContact CG2-CD1 4.44Å; V110-I183 HydrophobicContact CG2-CG1 4.02Å
111	V	97.9	Very high	96.6	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.115	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.5	168.9	172.1	0	0	0	0	108.5	M87 D88 V90 R178 L179 L180	M87-V111 HydrophobicContact CB-CG1 4.21Å; M87-V111 PolarHBondContact N-O 3.09Å; M87-V111 HydrophobicContact SD-CG1 4.3Å; D88-V111 PolarHBondContact O-N 3.36Å; V90-V111 HydrophobicContact CG2-CB 4.46Å; V90-V111 HydrophobicContact CG2-CG2 3.4Å; V111-R178 HydrophobicContact CG1-CB 3.66Å; V111-R178 HydrophobicContact CG1-CG 3.9Å; V111-L179 WeakPolarHBondContact CA-O 3.36Å; V111-L180 HydrophobicContact CG2-CD2 3.75Å
112	V	98	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	154.5	177.9	-60.2	0	0	0	0	110.8	F73 R85 V110 A114 R178 L179 A181	F73-V112 HydrophobicContact CD1-CG1 4.25Å; F73-V112 HydrophobicContact CD2-CG1 3.87Å; F73-V112 HydrophobicContact CE1-CG1 3.99Å; F73-V112 HydrophobicContact CE2-CG1 3.56Å; F73-V112 HydrophobicContact CG-CG1 4.19Å; F73-V112 HydrophobicContact CZ-CG1 3.63Å; R85-V112 WeakPolarHBondContact O-CA 3.21Å; V110-V112 HydrophobicContact CG2-CG1 4Å; V112-A114 PolarHBondContact O-N 2.6Å; V112-R178 WeakPolarHBondContact O-CA 3.47Å; V112-L179 HydrophobicContact CG2-CB 3.93Å; V112-L179 PolarHBondContact N-O 3.21Å; V112-L179 PolarHBondContact O-N 3.27Å; V112-A181 HydrophobicContact CG1-CB 3.99Å; V112-A181 HydrophobicContact CG2-CB 3.91Å
113	D	97.2	Very high	96.2	Very high	50 Å²	50	33 Å²	33	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.3	174.2	-179.2	15.3	0	0	0	111.3	R85 S115	R85-D113 PolarHBondContact O-N 2.69Å; R85-D113 VanDerWaalsContact O-N 3.09Å; D113-S115 WeakPolarHBondContact OD1-CB 3.48Å; D113-S115 PolarHBondContact OD1-N 2.96Å; D113-S115 PolarHBondContact OD1-OG 2.93Å; D113-S115 PolarHBondContact OD2-OG 3.13Å
114	A	96.6	Very high	96	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	18%	0.183	C	C	.	.	S	Bend	trans	-79	-19.5	178.3	0	0	0	0	0	113.2	V112 F117 R118 F174 G177 L179	V112-A114 PolarHBondContact O-N 2.6Å; A114-F117 PolarHBondContact O-N 3.12Å; A114-F117 VanDerWaalsContact O-N 3.13Å; A114-R118 PolarHBondContact O-N 3.41Å; A114-F174 HydrophobicContact CB-CD1 3.88Å; A114-F174 HydrophobicContact CB-CE1 4.18Å; A114-G177 VanDerWaalsContact CB-C 3.46Å; A114-G177 WeakPolarHBondContact CB-O 3.31Å; A114-G177 PolarHBondContact N-O 3.1Å; A114-G177 VanDerWaalsContact N-O 3.15Å; A114-L179 HydrophobicContact CB-CD1 4.13Å; A114-L179 HydrophobicContact CB-CD2 4.08Å; A114-L179 HydrophobicContact CB-CG 3.69Å
115	S	94.4	Very high	95.8	Very high	35 Å²	35	36.2 Å²	36.2	25%	0.245	19%	0.186	C	C	.	.	H	α-helix	trans	-54.6	-42.1	-169.2	76.8	0	0	0	0	114.7	D113 F117 R118 Q119	D113-S115 WeakPolarHBondContact OD1-CB 3.48Å; D113-S115 PolarHBondContact OD1-N 2.96Å; D113-S115 PolarHBondContact OD1-OG 2.93Å; D113-S115 PolarHBondContact OD2-OG 3.13Å; S115-F117 VanDerWaalsContact C-N 3.31Å; S115-F117 PolarHBondContact O-N 2.82Å; S115-R118 PolarHBondContact O-N 2.58Å; S115-Q119 WeakPolarHBondContact O-CG 3.47Å; S115-Q119 PolarHBondContact O-N 3.45Å
116	P	96.4	Very high	95.5	Very high	22 Å²	22	34.8 Å²	34.8	14%	0.143	18%	0.179	C	C	.	.	H	α-helix	trans	-71.4	-27.3	-177.3	-23.4	40.8	0	0	0	113.2	R82 T84 W120	R82-P116 HydrophobicContact CB-CB 3.85Å; R82-P116 HydrophobicContact CG-CB 4.11Å; T84-P116 HydrophobicContact CG2-CB 4.07Å; T84-P116 HydrophobicContact CG2-CG 3.78Å; P116-W120 PolarHBondContact O-N 3.21Å
117	F	96.7	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-78.9	-40.7	175.4	-61.9	-70.6	0	0	0	111.1	F73 W75 R82 T84 A114 S115 W120 Y121 F174 L179 I197	F73-F117 HydrophobicContact CB-CZ 4.04Å; F73-F117 WeakPolarHBondContact O-CZ 3.44Å; W75-F117 HydrophobicContact CB-CD1 4.05Å; W75-F117 HydrophobicContact CB-CE1 4.07Å; W75-F117 HydrophobicContact CE3-CB 4.15Å; W75-F117 HydrophobicContact CE3-CD1 4.3Å; W75-F117 HydrophobicContact CZ3-CB 4.47Å; R82-F117 HydrophobicContact CB-CD1 4.27Å; R82-F117 HydrophobicContact CB-CE1 3.83Å; R82-F117 HydrophobicContact CB-CZ 4.04Å; R82-F117 HydrophobicContact CG-CD1 4.11Å; R82-F117 HydrophobicContact CG-CE1 4.05Å; T84-F117 HydrophobicContact CG2-CD2 4.01Å; T84-F117 HydrophobicContact CG2-CE2 3.35Å; T84-F117 HydrophobicContact CG2-CZ 3.88Å; A114-F117 PolarHBondContact O-N 3.12Å; A114-F117 VanDerWaalsContact O-N 3.13Å; S115-F117 VanDerWaalsContact C-N 3.31Å; S115-F117 PolarHBondContact O-N 2.82Å; F117-W120 PolarHBondContact O-N 3.35Å; F117-Y121 WeakPolarHBondContact O-CB 3.39Å; F117-Y121 PolarHBondContact O-N 3.05Å; F117-F174 HydrophobicContact CB-CE1 3.86Å; F117-F174 HydrophobicContact CB-CZ 3.99Å; F117-L179 HydrophobicContact CB-CD1 4.44Å; F117-L179 HydrophobicContact CD2-CD1 3.73Å; F117-L179 HydrophobicContact CE2-CD1 4.37Å; F117-L179 HydrophobicContact CG-CD1 4.35Å; F117-I197 HydrophobicContact CD1-CD1 4Å; F117-I197 HydrophobicContact CD2-CD1 3.79Å; F117-I197 HydrophobicContact CE1-CD1 3.79Å; F117-I197 HydrophobicContact CE2-CD1 3.55Å; F117-I197 HydrophobicContact CE2-CG1 4.26Å; F117-I197 HydrophobicContact CG-CD1 4Å; F117-I197 HydrophobicContact CZ-CD1 3.56Å; F117-I197 HydrophobicContact CZ-CG1 4.25Å
118	R	93.8	Very high	94.8	Very high	53 Å²	53	31.7 Å²	31.7	20%	0.2	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-47.4	174.2	-175.1	173.2	65.4	84.2	-11	111.7	A114 S115 W120 Y121 E122 L129 F174	A114-R118 PolarHBondContact O-N 3.41Å; S115-R118 PolarHBondContact O-N 2.58Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 3.1Å; R118-Y121 PolarHBondContact O-N 3.02Å; R118-E122 HydrophobicContact CG-CG 4.43Å; R118-E122 IonicContact CZ-OE1 3.59Å; R118-E122 IonicContact NH1-OE1 2.88Å; R118-E122 PolarHBondContact NH1-OE1 3.22Å; R118-E122 IonicContact NH1-OE2 3.3Å; R118-E122 PolarHBondContact NH1-OE2 3.31Å; R118-E122 WeakPolarHBondContact O-CB 3.41Å; R118-E122 WeakPolarHBondContact O-CG 3.44Å; R118-E122 PolarHBondContact O-N 2.85Å; R118-L129 WeakPolarHBondContact CD-O 3.32Å; R118-L129 HydrophobicContact CG-CB 4.47Å; R118-F174 HydrophobicContact CB-CD1 4.19Å; R118-F174 HydrophobicContact CB-CE1 4.26Å
119	Q	93	Very high	94.5	Very high	112 Å²	112	32 Å²	32	52%	0.523	17%	0.172	S	C	.	.	H	α-helix	trans	-59.6	-40.6	176.3	-73.8	173.8	-3.1	0	0	112.4	S115 S123	S115-Q119 WeakPolarHBondContact O-CG 3.47Å; S115-Q119 PolarHBondContact O-N 3.45Å; Q119-S123 WeakPolarHBondContact O-CB 3.38Å; Q119-S123 PolarHBondContact O-N 3.15Å; Q119-S123 PolarHBondContact O-OG 2.69Å
120	W	95.5	Very high	93.7	Very high	42 Å²	42	32.5 Å²	32.5	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-44.1	175.6	174.3	87.8	0	0	0	111.5	W75 E78 C80 P116 F117 R118 S123 H124 Y125	W75-W120 HydrophobicContact CE3-CE3 4.3Å; W75-W120 HydrophobicContact CE3-CZ3 4.27Å; W75-W120 HydrophobicContact CZ3-CE3 4.15Å; W75-W120 HydrophobicContact CZ3-CZ3 4.09Å; E78-W120 HydrophobicContact CB-CH2 3.62Å; E78-W120 HydrophobicContact CB-CZ3 3.62Å; E78-W120 HydrophobicContact CG-CH2 4.22Å; E78-W120 HydrophobicContact CG-CZ3 3.9Å; E78-W120 WeakPolarHBondContact OE2-CH2 3.27Å; C80-W120 HydrophobicContact CB-CD2 3.71Å; C80-W120 HydrophobicContact CB-CE3 3.86Å; C80-W120 HydrophobicContact CB-CG 4.29Å; C80-W120 HydrophobicContact CB-CH2 4.17Å; C80-W120 HydrophobicContact CB-CZ2 3.97Å; C80-W120 HydrophobicContact CB-CZ3 4.1Å; P116-W120 PolarHBondContact O-N 3.21Å; F117-W120 PolarHBondContact O-N 3.35Å; R118-W120 VanDerWaalsContact C-N 3.31Å; R118-W120 PolarHBondContact O-N 3.1Å; W120-S123 PolarHBondContact O-N 3.3Å; W120-H124 HydrophobicContact CD2-CB 4.4Å; W120-H124 HydrophobicContact CH2-CB 4.3Å; W120-H124 HydrophobicContact CZ2-CB 4.13Å; W120-H124 AromaticContact CZ2-CG 3.87Å; W120-H124 AromaticContact CZ2-ND1 3.83Å; W120-H124 VanDerWaalsContact O-CB 3.28Å; W120-H124 WeakPolarHBondContact O-CB 3.24Å; W120-H124 PolarHBondContact O-N 2.97Å; W120-Y125 HydrophobicContact CH2-CE2 4.26Å; W120-Y125 HydrophobicContact CZ3-CE2 4.19Å
121	Y	95.1	Very high	92.9	Very high	12 Å²	12	36 Å²	36	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-49.5	179.5	-179.3	-83.5	0	0	0	111.4	W75 F117 R118 S123 H124 Y125 L127 L129 A164 V166	W75-Y121 AromaticContact CH2-CD2 3.84Å; W75-Y121 HydrophobicContact CH2-CD2 3.84Å; W75-Y121 HydrophobicContact CZ3-CD2 4.16Å; F117-Y121 WeakPolarHBondContact O-CB 3.39Å; F117-Y121 PolarHBondContact O-N 3.05Å; R118-Y121 PolarHBondContact O-N 3.02Å; Y121-S123 PolarHBondContact O-N 2.9Å; Y121-H124 PolarHBondContact O-N 2.99Å; Y121-H124 VanDerWaalsContact O-N 3.12Å; Y121-Y125 HydrophobicContact CD1-CD2 4.44Å; Y121-Y125 AromaticContact CD2-CD2 3.46Å; Y121-Y125 HydrophobicContact CD2-CD2 3.46Å; Y121-Y125 VanDerWaalsContact CD2-CD2 3.46Å; Y121-Y125 AromaticContact CD2-CE2 3.76Å; Y121-Y125 HydrophobicContact CD2-CE2 3.76Å; Y121-Y125 HydrophobicContact CE1-CD2 4.45Å; Y121-Y125 AromaticContact CE2-CD2 3.47Å; Y121-Y125 HydrophobicContact CE2-CD2 3.47Å; Y121-Y125 VanDerWaalsContact CE2-CD2 3.47Å; Y121-Y125 AromaticContact CE2-CE2 3.78Å; Y121-Y125 HydrophobicContact CE2-CE2 3.78Å; Y121-Y125 HydrophobicContact CE2-CG 4.29Å; Y121-Y125 AromaticContact CG-CD2 3.98Å; Y121-Y125 HydrophobicContact CG-CD2 3.98Å; Y121-Y125 PolarHBondContact O-N 2.9Å; Y121-L127 HydrophobicContact CE1-CB 4.11Å; Y121-L129 HydrophobicContact CD1-CB 3.52Å; Y121-L129 HydrophobicContact CD1-CD2 3.82Å; Y121-L129 HydrophobicContact CD1-CG 4.19Å; Y121-L129 HydrophobicContact CD2-CD2 3.96Å; Y121-L129 HydrophobicContact CE1-CB 3.7Å; Y121-L129 HydrophobicContact CE1-CD1 4.35Å; Y121-L129 HydrophobicContact CE1-CD2 4.26Å; Y121-L129 HydrophobicContact CE1-CG 4.32Å; Y121-L129 HydrophobicContact CE2-CD2 4.39Å; Y121-L129 HydrophobicContact CG-CB 4.23Å; Y121-L129 HydrophobicContact CG-CD2 3.65Å; Y121-A164 PolarHBondContact OH-O 3.5Å; Y121-V166 HydrophobicContact CD2-CG2 4.3Å; Y121-V166 HydrophobicContact CE2-CG2 3.55Å
122	E	92.8	Very high	92	Very high	24 Å²	24	44.1 Å²	44.1	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-38.1	176.2	-72.5	171.6	171.3	0	0	110.8	R118 A126 R131 L145	R118-E122 HydrophobicContact CG-CG 4.43Å; R118-E122 IonicContact CZ-OE1 3.59Å; R118-E122 IonicContact NH1-OE1 2.88Å; R118-E122 PolarHBondContact NH1-OE1 3.22Å; R118-E122 IonicContact NH1-OE2 3.3Å; R118-E122 PolarHBondContact NH1-OE2 3.31Å; R118-E122 WeakPolarHBondContact O-CB 3.41Å; R118-E122 WeakPolarHBondContact O-CG 3.44Å; R118-E122 PolarHBondContact O-N 2.85Å; E122-A126 WeakPolarHBondContact O-CA 3.36Å; E122-A126 PolarHBondContact O-N 2.9Å; E122-R131 IonicContact OE1-NE 3.1Å; E122-R131 IonicContact OE1-NH2 2.8Å; E122-R131 PolarHBondContact OE1-NH2 3.38Å; E122-L145 HydrophobicContact CB-CD2 4.02Å; E122-L145 HydrophobicContact CG-CD2 4.31Å
123	S	91.8	Very high	90.9	Very high	85 Å²	85	54.6 Å²	54.6	59%	0.594	27%	0.265	S	S	*	.	H	α-helix	trans	-74.5	-34.1	176.4	-57.8	0	0	0	0	113.8	Q119 W120 Y121	Q119-S123 WeakPolarHBondContact O-CB 3.38Å; Q119-S123 PolarHBondContact O-N 3.15Å; Q119-S123 PolarHBondContact O-OG 2.69Å; W120-S123 PolarHBondContact O-N 3.3Å; Y121-S123 PolarHBondContact O-N 2.9Å
124	H	94.1	Very high	89.8	Confident	55 Å²	55	56.2 Å²	56.2	26%	0.255	29%	0.293	S	S	.	.	H	α-helix	trans	-81	-45.4	-173.8	-169.4	86.9	0	0	0	112.2	W120 Y121 Y157 R160	W120-H124 HydrophobicContact CD2-CB 4.4Å; W120-H124 HydrophobicContact CH2-CB 4.3Å; W120-H124 HydrophobicContact CZ2-CB 4.13Å; W120-H124 AromaticContact CZ2-CG 3.87Å; W120-H124 AromaticContact CZ2-ND1 3.83Å; W120-H124 VanDerWaalsContact O-CB 3.28Å; W120-H124 WeakPolarHBondContact O-CB 3.24Å; W120-H124 PolarHBondContact O-N 2.97Å; Y121-H124 PolarHBondContact O-N 2.99Å; Y121-H124 VanDerWaalsContact O-N 3.12Å; H124-Y157 WeakPolarHBondContact O-CD1 3.33Å; H124-Y157 VanDerWaalsContact O-CE1 3.28Å; H124-Y157 WeakPolarHBondContact O-CE1 3.33Å; H124-R160 WeakPolarHBondContact O-CD 3.02Å; H124-R160 PolarHBondContact O-NH1 3.34Å; H124-R160 VanDerWaalsContact O-NH1 3.13Å
125	Y	93.7	Very high	88.9	Confident	18 Å²	18	58.8 Å²	58.8	7%	0.071	32%	0.315	C	S	.	.	H	α-helix	trans	-100.3	-14.9	-175.5	-66.7	-71.5	0	0	0	113.5	E78 W120 Y121 L127 R160 Q161 A164	E78-Y125 VanDerWaalsContact OE2-CE2 3.28Å; E78-Y125 WeakPolarHBondContact OE2-CE2 3.21Å; E78-Y125 PolarHBondContact OE2-OH 3.13Å; W120-Y125 HydrophobicContact CH2-CE2 4.26Å; W120-Y125 HydrophobicContact CZ3-CE2 4.19Å; Y121-Y125 HydrophobicContact CD1-CD2 4.44Å; Y121-Y125 AromaticContact CD2-CD2 3.46Å; Y121-Y125 HydrophobicContact CD2-CD2 3.46Å; Y121-Y125 VanDerWaalsContact CD2-CD2 3.46Å; Y121-Y125 AromaticContact CD2-CE2 3.76Å; Y121-Y125 HydrophobicContact CD2-CE2 3.76Å; Y121-Y125 HydrophobicContact CE1-CD2 4.45Å; Y121-Y125 AromaticContact CE2-CD2 3.47Å; Y121-Y125 HydrophobicContact CE2-CD2 3.47Å; Y121-Y125 VanDerWaalsContact CE2-CD2 3.47Å; Y121-Y125 AromaticContact CE2-CE2 3.78Å; Y121-Y125 HydrophobicContact CE2-CE2 3.78Å; Y121-Y125 HydrophobicContact CE2-CG 4.29Å; Y121-Y125 AromaticContact CG-CD2 3.98Å; Y121-Y125 HydrophobicContact CG-CD2 3.98Å; Y121-Y125 PolarHBondContact O-N 2.9Å; Y125-L127 PolarHBondContact O-N 3.06Å; Y125-R160 HydrophobicContact CD1-CB 3.96Å; Y125-R160 HydrophobicContact CE1-CB 4.17Å; Y125-R160 WeakPolarHBondContact CE1-O 3.25Å; Y125-Q161 VanDerWaalsContact O-CG 3.25Å; Y125-Q161 WeakPolarHBondContact O-CG 3.21Å; Y125-Q161 PolarHBondContact O-NE2 3.24Å; Y125-A164 HydrophobicContact CD1-CB 3.54Å; Y125-A164 HydrophobicContact CD2-CB 4.47Å; Y125-A164 HydrophobicContact CE1-CB 3.94Å; Y125-A164 HydrophobicContact CG-CB 3.83Å
126	A	91.6	Very high	88.1	Confident	13 Å²	13	66.6 Å²	66.6	11%	0.107	34%	0.344	C	S	.	.			trans	55.7	34	-172.6	0	0	0	0	0	112.6	E122 Y157	E122-A126 WeakPolarHBondContact O-CA 3.36Å; E122-A126 PolarHBondContact O-N 2.9Å; A126-Y157 HydrophobicContact CB-CD1 3.92Å; A126-Y157 HydrophobicContact CB-CE1 4.18Å
127	L	90.1	Very high	87.1	Confident	56 Å²	56	67.3 Å²	67.3	29%	0.293	35%	0.347	S	S	.	.			trans	-123.1	143.1	176.7	-68.4	175.6	0	0	0	109.9	Y121 Y125 Q161 A164	Y121-L127 HydrophobicContact CE1-CB 4.11Å; Y125-L127 PolarHBondContact O-N 3.06Å; L127-Q161 HydrophobicContact CD1-CB 4.33Å; L127-Q161 HydrophobicContact CD1-CG 3.95Å; L127-Q161 HydrophobicContact CG-CG 4.08Å; L127-A164 HydrophobicContact CD1-CB 3.72Å
128	P	90	Very high	86.5	Confident	67 Å²	67	70.9 Å²	70.9	44%	0.435	37%	0.369	S	S	.	.			trans	-69.8	143.9	174.1	29.9	-33.7	0	0	0	110.8	R131 L145	P128-R131 HydrophobicContact CB-CG 4.41Å; P128-L145 HydrophobicContact CB-CD1 4.06Å; P128-L145 HydrophobicContact CG-CD1 4.49Å
129	L	90.2	Very high	86	Confident	6 Å²	6	76.5 Å²	76.5	3%	0.031	40%	0.397	C	S	.	.			trans	-132.3	140.3	175.7	-177.1	66.3	0	0	0	110.9	W75 R118 Y121 R131 V166 E171 F174	W75-L129 HydrophobicContact CH2-CD2 4.27Å; R118-L129 WeakPolarHBondContact CD-O 3.32Å; R118-L129 HydrophobicContact CG-CB 4.47Å; Y121-L129 HydrophobicContact CD1-CB 3.52Å; Y121-L129 HydrophobicContact CD1-CD2 3.82Å; Y121-L129 HydrophobicContact CD1-CG 4.19Å; Y121-L129 HydrophobicContact CD2-CD2 3.96Å; Y121-L129 HydrophobicContact CE1-CB 3.7Å; Y121-L129 HydrophobicContact CE1-CD1 4.35Å; Y121-L129 HydrophobicContact CE1-CD2 4.26Å; Y121-L129 HydrophobicContact CE1-CG 4.32Å; Y121-L129 HydrophobicContact CE2-CD2 4.39Å; Y121-L129 HydrophobicContact CG-CB 4.23Å; Y121-L129 HydrophobicContact CG-CD2 3.65Å; L129-R131 PolarHBondContact O-N 3.24Å; L129-V166 HydrophobicContact CD1-CB 4.48Å; L129-V166 HydrophobicContact CD1-CG2 4.12Å; L129-E171 HydrophobicContact CD1-CG 4.38Å; L129-F174 HydrophobicContact CD1-CD2 4.48Å; L129-F174 HydrophobicContact CD2-CB 4.49Å; L129-F174 HydrophobicContact CD2-CD1 3.9Å; L129-F174 HydrophobicContact CD2-CD2 3.7Å; L129-F174 HydrophobicContact CD2-CE1 3.95Å; L129-F174 HydrophobicContact CD2-CE2 3.75Å; L129-F174 HydrophobicContact CD2-CG 3.78Å; L129-F174 HydrophobicContact CD2-CZ 3.89Å; L129-F174 HydrophobicContact CG-CB 4.18Å; L129-F174 HydrophobicContact CG-CD1 4.37Å; L129-F174 HydrophobicContact CG-CD2 4.16Å; L129-F174 HydrophobicContact CG-CG 4Å
130	G	82	Confident	85.5	Confident	12 Å²	12	78.6 Å²	78.6	12%	0.124	41%	0.407	C	S	.	.	S	Bend	trans	70.1	29.3	171.9	0	0	0	0	0	114.8	T175	G130-T175 WeakPolarHBondContact O-CA 3.32Å
131	R	81.1	Confident	84.8	Confident	72 Å²	72	78.4 Å²	78.4	27%	0.272	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-93.9	139.8	175.4	-58.5	-62.1	176.6	151.9	5.4	110.5	E122 P128 L129 L137 E141	E122-R131 IonicContact OE1-NE 3.1Å; E122-R131 IonicContact OE1-NH2 2.8Å; E122-R131 PolarHBondContact OE1-NH2 3.38Å; P128-R131 HydrophobicContact CB-CG 4.41Å; L129-R131 PolarHBondContact O-N 3.24Å; R131-L137 HydrophobicContact CG-CD1 4.31Å; R131-E141 VanDerWaalsContact CZ-CD 3.46Å; R131-E141 IonicContact CZ-OE1 3.85Å; R131-E141 IonicContact CZ-OE2 2.81Å; R131-E141 IonicContact NH1-OE1 3.21Å; R131-E141 PolarHBondContact NH1-OE1 3.29Å; R131-E141 IonicContact NH1-OE2 3.27Å; R131-E141 PolarHBondContact NH1-OE2 2.91Å; R131-E141 IonicContact NH2-OE1 2.88Å; R131-E141 PolarHBondContact NH2-OE1 3.26Å; R131-E141 IonicContact NH2-OE2 2.77Å; R131-E141 PolarHBondContact NH2-OE2 2.85Å; R131-E141 VanDerWaalsContact NH2-OE2 3.1Å
132	R	78.8	Confident	84.2	Confident	191 Å²	191	82.3 Å²	82.3	72%	0.721	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-65.7	136.4	169.7	-69.6	-176.5	178.9	-179.3	-1	108.6	G134 A135 T175	R132-G134 PolarHBondContact O-N 3.34Å; R132-A135 WeakPolarHBondContact O-CB 3.32Å; R132-A135 PolarHBondContact O-N 2.79Å; R132-T175 HydrophobicContact CG-CG2 3.91Å
133	K	74.4	Confident	83.7	Confident	220 Å²	220	84.2 Å²	84.2	96%	0.957	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	122.9	175.4	-64.1	-176.5	179.7	-178.1	0	109
134	G	73.1	Confident	83.2	Confident	83 Å²	83	86.3 Å²	86.3	86%	0.856	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-6.5	179.9	0	0	0	0	0	116.4	R132 K136	R132-G134 PolarHBondContact O-N 3.34Å; G134-K136 PolarHBondContact O-N 3.18Å
135	A	78.7	Confident	82.6	Confident	57 Å²	57	84.3 Å²	84.3	47%	0.471	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-73.4	119.7	170.9	0	0	0	0	0	109.8	R132	R132-A135 WeakPolarHBondContact O-CB 3.32Å; R132-A135 PolarHBondContact O-N 2.79Å
136	K	76.7	Confident	82.1	Confident	198 Å²	198	89.2 Å²	89.2	86%	0.861	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-64.3	139.4	171.6	-66.2	-174.9	178	-176.7	0	109.3	G134	G134-K136 PolarHBondContact O-N 3.18Å
137	L	77	Confident	81.9	Confident	37 Å²	37	92.1 Å²	92.1	19%	0.194	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-66.5	147.3	168.8	-106.8	67.5	0	0	0	108.9	R131 E141 E142 L145	R131-L137 HydrophobicContact CG-CD1 4.31Å; L137-E141 HydrophobicContact CB-CB 4.18Å; L137-E141 HydrophobicContact CD2-CB 3.72Å; L137-E141 HydrophobicContact CG-CB 3.72Å; L137-E142 HydrophobicContact CB-CG 3.39Å; L137-E142 HydrophobicContact CD2-CG 3.99Å; L137-E142 HydrophobicContact CG-CG 4.34Å; L137-L145 HydrophobicContact CD2-CD1 3.37Å; L137-L145 HydrophobicContact CD2-CG 4.36Å
138	T	84	Confident	81.8	Confident	75 Å²	75	99.4 Å²	99.4	46%	0.46	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-70.9	153.7	168	60.1	0	0	0	0	109.3	Q140 E141 E142	T138-Q140 PolarHBondContact O-N 2.88Å; T138-Q140 VanDerWaalsContact O-N 3.08Å; T138-E141 PolarHBondContact N-OE2 3.46Å; T138-E141 WeakPolarHBondContact O-CA 3.44Å; T138-E141 WeakPolarHBondContact O-CB 3.5Å; T138-E141 PolarHBondContact O-N 3.44Å; T138-E141 VanDerWaalsContact OG1-CD 3.25Å; T138-E141 WeakPolarHBondContact OG1-CG 3.33Å; T138-E141 PolarHBondContact OG1-OE2 2.86Å; T138-E142 PolarHBondContact O-N 3.1Å
139	E	82.7	Confident	81.8	Confident	171 Å²	171	99.1 Å²	99.1	80%	0.799	51%	0.505	S	S	*	.	H	α-helix	trans	-52.3	-36.2	179.3	-64.6	177.3	173.9	0	0	112.4	E142 A143	E139-E142 PolarHBondContact O-N 3.24Å; E139-A143 VanDerWaalsContact O-CB 3.28Å; E139-A143 WeakPolarHBondContact O-CB 3.19Å; E139-A143 PolarHBondContact O-N 2.74Å
140	Q	83	Confident	82	Confident	156 Å²	156	102.6 Å²	102.6	73%	0.729	53%	0.529	S	S	*	.	H	α-helix	trans	-64.2	-39.7	176	-65.9	-179.3	-12.7	0	0	112.6	T138 L144	T138-Q140 PolarHBondContact O-N 2.88Å; T138-Q140 VanDerWaalsContact O-N 3.08Å; Q140-L144 VanDerWaalsContact O-CG 3.29Å; Q140-L144 WeakPolarHBondContact O-CG 3.35Å; Q140-L144 PolarHBondContact O-N 3.38Å
141	E	81.1	Confident	82.6	Confident	38 Å²	38	105.8 Å²	105.8	18%	0.178	55%	0.554	C	S	.	*	H	α-helix	trans	-74.4	-38.5	179.4	-66.8	171.2	151.1	0	0	111.2	R131 L137 T138 L144 L145	R131-E141 VanDerWaalsContact CZ-CD 3.46Å; R131-E141 IonicContact CZ-OE1 3.85Å; R131-E141 IonicContact CZ-OE2 2.81Å; R131-E141 IonicContact NH1-OE1 3.21Å; R131-E141 PolarHBondContact NH1-OE1 3.29Å; R131-E141 IonicContact NH1-OE2 3.27Å; R131-E141 PolarHBondContact NH1-OE2 2.91Å; R131-E141 IonicContact NH2-OE1 2.88Å; R131-E141 PolarHBondContact NH2-OE1 3.26Å; R131-E141 IonicContact NH2-OE2 2.77Å; R131-E141 PolarHBondContact NH2-OE2 2.85Å; R131-E141 VanDerWaalsContact NH2-OE2 3.1Å; L137-E141 HydrophobicContact CB-CB 4.18Å; L137-E141 HydrophobicContact CD2-CB 3.72Å; L137-E141 HydrophobicContact CG-CB 3.72Å; T138-E141 PolarHBondContact N-OE2 3.46Å; T138-E141 WeakPolarHBondContact O-CA 3.44Å; T138-E141 WeakPolarHBondContact O-CB 3.5Å; T138-E141 PolarHBondContact O-N 3.44Å; T138-E141 VanDerWaalsContact OG1-CD 3.25Å; T138-E141 WeakPolarHBondContact OG1-CG 3.33Å; T138-E141 PolarHBondContact OG1-OE2 2.86Å; E141-L144 PolarHBondContact O-N 3.18Å; E141-L145 PolarHBondContact O-N 3.46Å; E141-L145 VanDerWaalsContact O-N 3.08Å
142	E	81.2	Confident	83.2	Confident	95 Å²	95	113 Å²	113	44%	0.444	58%	0.582	S	S	.	*	H	α-helix	trans	-64.3	-42.7	174.4	-62.7	-164.2	159.2	0	0	110.9	L137 T138 E139 L144 L145 N146	L137-E142 HydrophobicContact CB-CG 3.39Å; L137-E142 HydrophobicContact CD2-CG 3.99Å; L137-E142 HydrophobicContact CG-CG 4.34Å; T138-E142 PolarHBondContact O-N 3.1Å; E139-E142 PolarHBondContact O-N 3.24Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 2.95Å; E142-L145 PolarHBondContact O-N 2.82Å; E142-N146 VanDerWaalsContact O-CB 3.28Å; E142-N146 WeakPolarHBondContact O-CB 3.2Å; E142-N146 PolarHBondContact O-N 2.7Å
143	A	83.2	Confident	83.9	Confident	64 Å²	64	105.2 Å²	105.2	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-60.3	-36.7	176.5	0	0	0	0	0	112.4	E139 V147	E139-A143 VanDerWaalsContact O-CB 3.28Å; E139-A143 WeakPolarHBondContact O-CB 3.19Å; E139-A143 PolarHBondContact O-N 2.74Å; A143-V147 WeakPolarHBondContact O-CG2 3.34Å
144	L	79.9	Confident	84.8	Confident	128 Å²	128	100 Å²	100	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-73	-36.1	177.8	-73	170.5	0	0	0	113.1	Q140 E141 E142 V147	Q140-L144 VanDerWaalsContact O-CG 3.29Å; Q140-L144 WeakPolarHBondContact O-CG 3.35Å; Q140-L144 PolarHBondContact O-N 3.38Å; E141-L144 PolarHBondContact O-N 3.18Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 2.95Å; L144-V147 WeakPolarHBondContact O-CG2 3.38Å
145	L	83.1	Confident	85.8	Confident	14 Å²	14	104.2 Å²	104.2	7%	0.073	53%	0.532	C	S	.	.	H	α-helix	trans	-77	-44.8	177.5	-70.2	178.6	0	0	0	111.6	E122 P128 L137 E141 E142 V147 R149	E122-L145 HydrophobicContact CB-CD2 4.02Å; E122-L145 HydrophobicContact CG-CD2 4.31Å; P128-L145 HydrophobicContact CB-CD1 4.06Å; P128-L145 HydrophobicContact CG-CD1 4.49Å; L137-L145 HydrophobicContact CD2-CD1 3.37Å; L137-L145 HydrophobicContact CD2-CG 4.36Å; E141-L145 PolarHBondContact O-N 3.46Å; E141-L145 VanDerWaalsContact O-N 3.08Å; E142-L145 PolarHBondContact O-N 2.82Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 PolarHBondContact O-N 2.86Å; L145-R149 PolarHBondContact O-NH1 2.86Å; L145-R149 PolarHBondContact O-NH2 3.09Å
146	N	83.3	Confident	86.6	Confident	121 Å²	121	107.3 Å²	107.3	65%	0.647	54%	0.535	S	S	*	.	S	Bend	trans	-94.8	35.6	-172.8	-61	-30	0	0	0	113	E142 K148	E142-N146 VanDerWaalsContact O-CB 3.28Å; E142-N146 WeakPolarHBondContact O-CB 3.2Å; E142-N146 PolarHBondContact O-N 2.7Å; N146-K148 PolarHBondContact O-N 3.39Å
147	V	87	Confident	87.4	Confident	73 Å²	73	100.3 Å²	100.3	44%	0.442	50%	0.503	S	S	.	.			trans	-60.2	127.1	171.2	179.5	0	0	0	0	108.9	A143 L144 L145 R149	A143-V147 WeakPolarHBondContact O-CG2 3.34Å; L144-V147 WeakPolarHBondContact O-CG2 3.38Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 PolarHBondContact O-N 2.86Å; V147-R149 WeakPolarHBondContact O-CG 3.36Å; V147-R149 PolarHBondContact O-N 2.79Å; V147-R149 PolarHBondContact O-NH1 3.36Å; V147-R149 VanDerWaalsContact O-NH1 3.08Å
148	K	87.7	Confident	88.2	Confident	209 Å²	209	100.9 Å²	100.9	91%	0.909	51%	0.513	S	S	*	.			trans	-60.3	120.3	171.2	-69.1	-175.7	179.6	180	0	108.8	N146	N146-K148 PolarHBondContact O-N 3.39Å
149	R	89.7	Confident	88.8	Confident	62 Å²	62	100 Å²	100	23%	0.234	51%	0.514	C	S	.	.			trans	-116.2	155	-175.2	-74.7	165.3	-171.2	105.8	-5.2	109.2	L145 V147 A153 E154 Y157	L145-R149 PolarHBondContact O-NH1 2.86Å; L145-R149 PolarHBondContact O-NH2 3.09Å; V147-R149 WeakPolarHBondContact O-CG 3.36Å; V147-R149 PolarHBondContact O-N 2.79Å; V147-R149 PolarHBondContact O-NH1 3.36Å; V147-R149 VanDerWaalsContact O-NH1 3.08Å; R149-A153 HydrophobicContact CB-CB 4Å; R149-A153 HydrophobicContact CG-CB 4.45Å; R149-E154 HydrophobicContact CB-CG 3.8Å; R149-Y157 HydrophobicContact CG-CE2 4.48Å
150	S	93.9	Very high	89.4	Confident	78 Å²	78	94.7 Å²	94.7	55%	0.545	49%	0.486	S	S	.	.			trans	-69	154.3	170	62.9	0	0	0	0	110.2	R152 A153 E154	S150-R152 PolarHBondContact O-N 3.28Å; S150-R152 VanDerWaalsContact O-N 3.09Å; S150-A153 CarbonylContact O-C 3.55Å; S150-A153 WeakPolarHBondContact O-CA 3.39Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.06Å; S150-A153 PolarHBondContact OG-N 2.83Å; S150-E154 PolarHBondContact O-N 2.86Å
151	A	94.4	Very high	89.9	Confident	79 Å²	79	90.8 Å²	90.8	65%	0.653	47%	0.468	S	S	*	.	H	α-helix	trans	-52.8	-36.3	179.4	0	0	0	0	0	113.2	E154 K155	A151-E154 PolarHBondContact O-N 2.94Å; A151-K155 PolarHBondContact O-N 2.93Å
152	R	95.3	Very high	90.5	Very high	225 Å²	225	95.6 Å²	95.6	85%	0.849	49%	0.494	S	S	*	.	H	α-helix	trans	-64.8	-40.2	174.4	-175	178.4	-179.2	-177.2	1.8	112.4	S150 K156	S150-R152 PolarHBondContact O-N 3.28Å; S150-R152 VanDerWaalsContact O-N 3.09Å; R152-K156 PolarHBondContact O-N 2.81Å
153	A	93.5	Very high	91	Very high	27 Å²	27	98 Å²	98	22%	0.223	51%	0.505	C	S	.	.	H	α-helix	trans	-70.1	-41.6	177.1	0	0	0	0	0	111.1	R149 S150 K155 K156 Y157	R149-A153 HydrophobicContact CB-CB 4Å; R149-A153 HydrophobicContact CG-CB 4.45Å; S150-A153 CarbonylContact O-C 3.55Å; S150-A153 WeakPolarHBondContact O-CA 3.39Å; S150-A153 WeakPolarHBondContact O-CB 3.44Å; S150-A153 PolarHBondContact O-N 3.06Å; S150-A153 PolarHBondContact OG-N 2.83Å; A153-K155 PolarHBondContact O-N 2.93Å; A153-K156 WeakPolarHBondContact O-CA 3.5Å; A153-K156 VanDerWaalsContact O-CB 3.31Å; A153-K156 WeakPolarHBondContact O-CB 3.42Å; A153-K156 PolarHBondContact O-N 3.39Å; A153-K156 VanDerWaalsContact O-N 3.09Å; A153-Y157 WeakPolarHBondContact O-CD2 3.1Å; A153-Y157 PolarHBondContact O-N 3.3Å
154	E	92.2	Very high	91.4	Very high	110 Å²	110	95.2 Å²	95.2	51%	0.514	48%	0.482	S	S	.	.	H	α-helix	trans	-58.1	-47.4	175.1	-68.8	179.2	168.7	0	0	111.8	R149 S150 A151 K156 Y157 A158	R149-E154 HydrophobicContact CB-CG 3.8Å; S150-E154 PolarHBondContact O-N 2.86Å; A151-E154 PolarHBondContact O-N 2.94Å; E154-K156 PolarHBondContact O-N 3.37Å; E154-Y157 PolarHBondContact O-N 3.19Å; E154-Y157 VanDerWaalsContact O-N 3.09Å; E154-A158 WeakPolarHBondContact O-CB 3.28Å; E154-A158 PolarHBondContact O-N 3.09Å
155	K	94.6	Very high	92	Very high	172 Å²	172	98.2 Å²	98.2	75%	0.748	49%	0.49	S	S	*	.	H	α-helix	trans	-56.5	-38.2	174.4	-172.6	174.2	-177.9	174.9	0	112.4	A151 A153 A159	A151-K155 PolarHBondContact O-N 2.93Å; A153-K155 PolarHBondContact O-N 2.93Å; K155-A159 PolarHBondContact O-N 3Å; K155-A159 VanDerWaalsContact O-N 3.14Å
156	K	95.8	Very high	92.4	Very high	121 Å²	121	98.4 Å²	98.4	53%	0.526	49%	0.492	S	S	.	.	H	α-helix	trans	-66.8	-42.6	176.5	-174.2	-174.2	-173.5	-174.2	0	112.2	R152 A153 E154 R160	R152-K156 PolarHBondContact O-N 2.81Å; A153-K156 WeakPolarHBondContact O-CA 3.5Å; A153-K156 VanDerWaalsContact O-CB 3.31Å; A153-K156 WeakPolarHBondContact O-CB 3.42Å; A153-K156 PolarHBondContact O-N 3.39Å; A153-K156 VanDerWaalsContact O-N 3.09Å; E154-K156 PolarHBondContact O-N 3.37Å; K156-R160 WeakPolarHBondContact O-CG 3.46Å; K156-R160 PolarHBondContact O-N 2.79Å
157	Y	93.7	Very high	92.9	Very high	52 Å²	52	96.4 Å²	96.4	20%	0.204	48%	0.478	C	S	.	.	H	α-helix	trans	-69.1	-42.8	177	-79.3	-79.1	0	0	0	111.6	H124 A126 R149 A153 E154 A159 R160 Q161	H124-Y157 WeakPolarHBondContact O-CD1 3.33Å; H124-Y157 VanDerWaalsContact O-CE1 3.28Å; H124-Y157 WeakPolarHBondContact O-CE1 3.33Å; A126-Y157 HydrophobicContact CB-CD1 3.92Å; A126-Y157 HydrophobicContact CB-CE1 4.18Å; R149-Y157 HydrophobicContact CG-CE2 4.48Å; A153-Y157 WeakPolarHBondContact O-CD2 3.1Å; A153-Y157 PolarHBondContact O-N 3.3Å; E154-Y157 PolarHBondContact O-N 3.19Å; E154-Y157 VanDerWaalsContact O-N 3.09Å; Y157-A159 VanDerWaalsContact C-N 3.27Å; Y157-A159 PolarHBondContact O-N 3.3Å; Y157-R160 WeakPolarHBondContact O-CB 3.15Å; Y157-R160 PolarHBondContact O-N 3.45Å; Y157-Q161 VanDerWaalsContact O-CG 3.27Å; Y157-Q161 WeakPolarHBondContact O-CG 3.13Å; Y157-Q161 PolarHBondContact O-N 2.91Å
158	A	93.5	Very high	93.1	Very high	49 Å²	49	97.5 Å²	97.5	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-55.2	-43.5	175.2	0	0	0	0	0	111.5	E154 R160 Q161 L162	E154-A158 WeakPolarHBondContact O-CB 3.28Å; E154-A158 PolarHBondContact O-N 3.09Å; A158-R160 VanDerWaalsContact C-N 3.35Å; A158-R160 PolarHBondContact O-N 3.3Å; A158-Q161 PolarHBondContact O-N 3.31Å; A158-L162 PolarHBondContact O-N 2.95Å
159	A	96	Very high	93.4	Very high	56 Å²	56	89.1 Å²	89.1	46%	0.463	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-37	175.3	0	0	0	0	0	113.3	K155 Y157	K155-A159 PolarHBondContact O-N 3Å; K155-A159 VanDerWaalsContact O-N 3.14Å; Y157-A159 VanDerWaalsContact C-N 3.27Å; Y157-A159 PolarHBondContact O-N 3.3Å
160	R	94.7	Very high	93.6	Very high	60 Å²	60	86.2 Å²	86.2	23%	0.226	45%	0.445	C	S	.	.	H	α-helix	trans	-70.6	-40.2	175.6	-69.8	172.7	-179.9	173.8	-9	112.2	H124 Y125 K156 Y157 A158 L162 H163 A164	H124-R160 WeakPolarHBondContact O-CD 3.02Å; H124-R160 PolarHBondContact O-NH1 3.34Å; H124-R160 VanDerWaalsContact O-NH1 3.13Å; Y125-R160 HydrophobicContact CD1-CB 3.96Å; Y125-R160 HydrophobicContact CE1-CB 4.17Å; Y125-R160 WeakPolarHBondContact CE1-O 3.25Å; K156-R160 WeakPolarHBondContact O-CG 3.46Å; K156-R160 PolarHBondContact O-N 2.79Å; Y157-R160 WeakPolarHBondContact O-CB 3.15Å; Y157-R160 PolarHBondContact O-N 3.45Å; A158-R160 VanDerWaalsContact C-N 3.35Å; A158-R160 PolarHBondContact O-N 3.3Å; R160-L162 PolarHBondContact O-N 3.05Å; R160-H163 PolarHBondContact O-N 3.3Å; R160-A164 PolarHBondContact O-N 3.2Å
161	Q	93.1	Very high	93.5	Very high	73 Å²	73	87 Å²	87	34%	0.341	44%	0.44	S	S	.	.	H	α-helix	trans	-60.4	-27.6	-176.5	-75.1	172.9	-13	0	0	112.7	Y125 L127 Y157 A158 H163 A164	Y125-Q161 VanDerWaalsContact O-CG 3.25Å; Y125-Q161 WeakPolarHBondContact O-CG 3.21Å; Y125-Q161 PolarHBondContact O-NE2 3.24Å; L127-Q161 HydrophobicContact CD1-CB 4.33Å; L127-Q161 HydrophobicContact CD1-CG 3.95Å; L127-Q161 HydrophobicContact CG-CG 4.08Å; Y157-Q161 VanDerWaalsContact O-CG 3.27Å; Y157-Q161 WeakPolarHBondContact O-CG 3.13Å; Y157-Q161 PolarHBondContact O-N 2.91Å; A158-Q161 PolarHBondContact O-N 3.31Å; Q161-H163 PolarHBondContact O-N 2.96Å; Q161-A164 WeakPolarHBondContact O-CB 3.4Å; Q161-A164 PolarHBondContact O-N 3.36Å
162	L	93.8	Very high	93.4	Very high	140 Å²	140	89.7 Å²	89.7	73%	0.733	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.2	172.7	-64.1	175.3	0	0	0	113.4	A158 R160	A158-L162 PolarHBondContact O-N 2.95Å; R160-L162 PolarHBondContact O-N 3.05Å
163	H	91.7	Very high	93.4	Very high	144 Å²	144	79.9 Å²	79.9	67%	0.667	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	8.8	-178.2	-57.7	-64.6	0	0	0	113.2	R160 Q161 K165	R160-H163 PolarHBondContact O-N 3.3Å; Q161-H163 PolarHBondContact O-N 2.96Å; H163-K165 PolarHBondContact O-N 2.72Å; H163-K165 VanDerWaalsContact O-N 3.1Å
164	A	92.3	Very high	93.5	Very high	6 Å²	6	78.8 Å²	78.8	5%	0.05	39%	0.394	C	S	.	.			trans	-76.1	6.7	-174.7	0	0	0	0	0	114.3	Y121 Y125 L127 R160 Q161 V166	Y121-A164 PolarHBondContact OH-O 3.5Å; Y125-A164 HydrophobicContact CD1-CB 3.54Å; Y125-A164 HydrophobicContact CD2-CB 4.47Å; Y125-A164 HydrophobicContact CE1-CB 3.94Å; Y125-A164 HydrophobicContact CG-CB 3.83Å; L127-A164 HydrophobicContact CD1-CB 3.72Å; R160-A164 PolarHBondContact O-N 3.2Å; Q161-A164 WeakPolarHBondContact O-CB 3.4Å; Q161-A164 PolarHBondContact O-N 3.36Å; A164-V166 PolarHBondContact O-N 3.49Å; A164-V166 VanDerWaalsContact O-N 3.14Å
165	K	92.4	Very high	93.5	Very high	192 Å²	192	76 Å²	76	84%	0.835	38%	0.384	S	S	*	.			trans	-72.3	112.5	-174.1	-173.7	177.7	-179.8	179.3	0	110.8	H163	H163-K165 PolarHBondContact O-N 2.72Å; H163-K165 VanDerWaalsContact O-N 3.1Å
166	V	92.5	Very high	93.5	Very high	18 Å²	18	71.3 Å²	71.3	11%	0.109	37%	0.373	C	S	.	.			trans	-87.5	146.8	173.6	-176.9	0	0	0	0	110.6	W75 Y121 L129 A164 L170	W75-V166 HydrophobicContact CH2-CG2 4.29Å; W75-V166 HydrophobicContact CZ2-CG1 4.31Å; W75-V166 HydrophobicContact CZ2-CG2 4.31Å; Y121-V166 HydrophobicContact CD2-CG2 4.3Å; Y121-V166 HydrophobicContact CE2-CG2 3.55Å; L129-V166 HydrophobicContact CD1-CB 4.48Å; L129-V166 HydrophobicContact CD1-CG2 4.12Å; A164-V166 PolarHBondContact O-N 3.49Å; A164-V166 VanDerWaalsContact O-N 3.14Å; V166-L170 HydrophobicContact CG1-CB 3.99Å; V166-L170 HydrophobicContact CG1-CD2 3.9Å; V166-L170 HydrophobicContact CG1-CG 4.14Å
167	E	92.2	Very high	93.4	Very high	79 Å²	79	67 Å²	67	37%	0.369	36%	0.363	S	S	.	.			trans	-60.7	134	174.5	-173.4	-175.7	-179.3	0	0	111.1	A169 L170 E171 G200	E167-A169 VanDerWaalsContact C-N 3.26Å; E167-A169 PolarHBondContact O-N 2.86Å; E167-A169 VanDerWaalsContact O-N 3.14Å; E167-L170 HydrophobicContact CB-CB 4.45Å; E167-L170 WeakPolarHBondContact O-CB 3.41Å; E167-L170 PolarHBondContact O-N 2.99Å; E167-E171 PolarHBondContact O-N 3.27Å; E167-G200 WeakPolarHBondContact OE2-CA 3.41Å; E167-G200 PolarHBondContact OE2-N 2.99Å
168	P	92.2	Very high	93.5	Very high	96 Å²	96	71.2 Å²	71.2	62%	0.623	38%	0.378	S	S	*	.	H	α-helix	trans	-55.3	-36.5	-175.8	-28.2	34.7	0	0	0	114.7	L170 E171 E172	P168-L170 VanDerWaalsContact C-N 3.3Å; P168-L170 PolarHBondContact O-N 2.97Å; P168-E171 PolarHBondContact O-N 3.14Å; P168-E172 PolarHBondContact O-N 2.77Å; P168-E172 VanDerWaalsContact O-N 3.08Å
169	A	93.1	Very high	93.7	Very high	32 Å²	32	68.9 Å²	68.9	26%	0.264	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-31.8	178.4	0	0	0	0	0	112.7	E167 L203	E167-A169 VanDerWaalsContact C-N 3.26Å; E167-A169 PolarHBondContact O-N 2.86Å; E167-A169 VanDerWaalsContact O-N 3.14Å; A169-L203 HydrophobicContact CB-CD2 3.95Å
170	L	94.1	Very high	93.8	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-79.5	-36.8	175.8	-171.4	64.4	0	0	0	110.8	W75 V166 E167 P168 E172 Q173 F174 L179 I197 E199	W75-L170 HydrophobicContact CZ2-CD2 3.68Å; V166-L170 HydrophobicContact CG1-CB 3.99Å; V166-L170 HydrophobicContact CG1-CD2 3.9Å; V166-L170 HydrophobicContact CG1-CG 4.14Å; E167-L170 HydrophobicContact CB-CB 4.45Å; E167-L170 WeakPolarHBondContact O-CB 3.41Å; E167-L170 PolarHBondContact O-N 2.99Å; P168-L170 VanDerWaalsContact C-N 3.3Å; P168-L170 PolarHBondContact O-N 2.97Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 2.88Å; L170-Q173 WeakPolarHBondContact O-CB 3.36Å; L170-Q173 PolarHBondContact O-N 3.26Å; L170-Q173 VanDerWaalsContact O-N 3.11Å; L170-F174 HydrophobicContact CD1-CE2 4.28Å; L170-F174 HydrophobicContact CD2-CE2 4.01Å; L170-F174 HydrophobicContact CG-CD2 4.04Å; L170-F174 HydrophobicContact CG-CE2 3.74Å; L170-F174 VanDerWaalsContact O-CD2 3.27Å; L170-F174 WeakPolarHBondContact O-CD2 3.37Å; L170-F174 PolarHBondContact O-N 3.18Å; L170-L179 HydrophobicContact CD1-CD2 3.99Å; L170-I197 HydrophobicContact CD1-CG2 3.95Å; L170-E199 HydrophobicContact CD2-CG 4.46Å
171	E	92.6	Very high	93.9	Very high	94 Å²	94	64.4 Å²	64.4	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-43.5	174	-169.8	178.7	-176.7	0	0	111.9	L129 E167 P168 Q173 F174 T175	L129-E171 HydrophobicContact CD1-CG 4.38Å; E167-E171 PolarHBondContact O-N 3.27Å; P168-E171 PolarHBondContact O-N 3.14Å; E171-Q173 VanDerWaalsContact C-N 3.27Å; E171-Q173 PolarHBondContact O-N 3.01Å; E171-F174 WeakPolarHBondContact O-CB 3.4Å; E171-F174 PolarHBondContact O-N 3.16Å; E171-F174 VanDerWaalsContact O-N 3.13Å; E171-T175 PolarHBondContact O-N 2.77Å; E171-T175 PolarHBondContact O-OG1 2.95Å
172	E	92.7	Very high	94.2	Very high	137 Å²	137	61 Å²	61	64%	0.64	32%	0.316	S	S	*	.	H	α-helix	trans	-57.3	-40.3	174.5	-171.9	-174.8	172.5	0	0	112	P168 L170 T175 S176	P168-E172 PolarHBondContact O-N 2.77Å; P168-E172 VanDerWaalsContact O-N 3.08Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 2.88Å; E172-T175 WeakPolarHBondContact O-CB 3.15Å; E172-T175 PolarHBondContact O-N 2.75Å; E172-S176 PolarHBondContact O-N 2.92Å; E172-S176 VanDerWaalsContact O-N 3.07Å
173	Q	95.3	Very high	94.4	Very high	18 Å²	18	54.3 Å²	54.3	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-39.8	176.9	-70.5	-176.6	23.2	0	0	112.3	L170 E171 T175 S176 G177 R178 L179	L170-Q173 WeakPolarHBondContact O-CB 3.36Å; L170-Q173 PolarHBondContact O-N 3.26Å; L170-Q173 VanDerWaalsContact O-N 3.11Å; E171-Q173 VanDerWaalsContact C-N 3.27Å; E171-Q173 PolarHBondContact O-N 3.01Å; Q173-T175 VanDerWaalsContact C-N 3.3Å; Q173-T175 PolarHBondContact O-N 2.86Å; Q173-S176 PolarHBondContact O-N 3.01Å; Q173-S176 VanDerWaalsContact O-N 3.12Å; Q173-S176 PolarHBondContact O-OG 3.31Å; Q173-G177 PolarHBondContact O-N 3.28Å; Q173-G177 VanDerWaalsContact O-N 3.11Å; Q173-R178 WeakPolarHBondContact CB-O 3.33Å; Q173-R178 PolarHBondContact O-N 3.37Å; Q173-L179 HydrophobicContact CB-CD2 3.6Å
174	F	95.2	Very high	94.7	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.022	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-39.9	172.4	-82.7	-72.3	0	0	0	111.8	W75 A114 F117 R118 L129 L170 E171 S176 G177 L179	W75-F174 HydrophobicContact CE3-CZ 4.35Å; W75-F174 AromaticContact CH2-CE2 3.87Å; W75-F174 HydrophobicContact CH2-CE2 3.87Å; W75-F174 AromaticContact CH2-CZ 3.83Å; W75-F174 HydrophobicContact CH2-CZ 3.83Å; W75-F174 AromaticContact CZ2-CE2 4Å; W75-F174 HydrophobicContact CZ2-CE2 4Å; W75-F174 HydrophobicContact CZ2-CZ 4.25Å; W75-F174 HydrophobicContact CZ3-CE2 4.39Å; W75-F174 AromaticContact CZ3-CZ 3.88Å; W75-F174 HydrophobicContact CZ3-CZ 3.88Å; A114-F174 HydrophobicContact CB-CD1 3.88Å; A114-F174 HydrophobicContact CB-CE1 4.18Å; F117-F174 HydrophobicContact CB-CE1 3.86Å; F117-F174 HydrophobicContact CB-CZ 3.99Å; R118-F174 HydrophobicContact CB-CD1 4.19Å; R118-F174 HydrophobicContact CB-CE1 4.26Å; L129-F174 HydrophobicContact CD1-CD2 4.48Å; L129-F174 HydrophobicContact CD2-CB 4.49Å; L129-F174 HydrophobicContact CD2-CD1 3.9Å; L129-F174 HydrophobicContact CD2-CD2 3.7Å; L129-F174 HydrophobicContact CD2-CE1 3.95Å; L129-F174 HydrophobicContact CD2-CE2 3.75Å; L129-F174 HydrophobicContact CD2-CG 3.78Å; L129-F174 HydrophobicContact CD2-CZ 3.89Å; L129-F174 HydrophobicContact CG-CB 4.18Å; L129-F174 HydrophobicContact CG-CD1 4.37Å; L129-F174 HydrophobicContact CG-CD2 4.16Å; L129-F174 HydrophobicContact CG-CG 4Å; L170-F174 HydrophobicContact CD1-CE2 4.28Å; L170-F174 HydrophobicContact CD2-CE2 4.01Å; L170-F174 HydrophobicContact CG-CD2 4.04Å; L170-F174 HydrophobicContact CG-CE2 3.74Å; L170-F174 VanDerWaalsContact O-CD2 3.27Å; L170-F174 WeakPolarHBondContact O-CD2 3.37Å; L170-F174 PolarHBondContact O-N 3.18Å; E171-F174 WeakPolarHBondContact O-CB 3.4Å; E171-F174 PolarHBondContact O-N 3.16Å; E171-F174 VanDerWaalsContact O-N 3.13Å; F174-S176 VanDerWaalsContact C-N 3.28Å; F174-S176 PolarHBondContact O-N 3.33Å; F174-G177 PolarHBondContact O-N 3.44Å; F174-L179 HydrophobicContact CD1-CD2 4.17Å; F174-L179 HydrophobicContact CD2-CD2 4.07Å; F174-L179 HydrophobicContact CE1-CD1 3.93Å; F174-L179 HydrophobicContact CE1-CD2 4.22Å; F174-L179 HydrophobicContact CE2-CD1 4.45Å; F174-L179 HydrophobicContact CE2-CD2 4.12Å; F174-L179 HydrophobicContact CG-CD2 4.09Å; F174-L179 HydrophobicContact CZ-CD1 3.83Å; F174-L179 HydrophobicContact CZ-CD2 4.19Å
175	T	92.8	Very high	94.9	Very high	52 Å²	52	50.3 Å²	50.3	32%	0.319	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-34.1	173.6	-54.3	0	0	0	0	112.7	G130 R132 E171 E172 Q173 G177	G130-T175 WeakPolarHBondContact O-CA 3.32Å; R132-T175 HydrophobicContact CG-CG2 3.91Å; E171-T175 PolarHBondContact O-N 2.77Å; E171-T175 PolarHBondContact O-OG1 2.95Å; E172-T175 WeakPolarHBondContact O-CB 3.15Å; E172-T175 PolarHBondContact O-N 2.75Å; Q173-T175 VanDerWaalsContact C-N 3.3Å; Q173-T175 PolarHBondContact O-N 2.86Å; T175-G177 PolarHBondContact O-N 2.67Å
176	S	92.7	Very high	95.2	Very high	73 Å²	73	48.8 Å²	48.8	51%	0.51	26%	0.26	S	S	.	.	H	α-helix	trans	-74.6	-13.7	173.9	82.9	0	0	0	0	113.9	E172 Q173 F174 R178	E172-S176 PolarHBondContact O-N 2.92Å; E172-S176 VanDerWaalsContact O-N 3.07Å; Q173-S176 PolarHBondContact O-N 3.01Å; Q173-S176 VanDerWaalsContact O-N 3.12Å; Q173-S176 PolarHBondContact O-OG 3.31Å; F174-S176 VanDerWaalsContact C-N 3.28Å; F174-S176 PolarHBondContact O-N 3.33Å; S176-R178 PolarHBondContact O-N 3.38Å; S176-R178 PolarHBondContact OG-N 3.4Å; S176-R178 PolarHBondContact OG-O 2.64Å
177	G	94.3	Very high	95.4	Very high	30 Å²	30	48 Å²	48	31%	0.309	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	9.4	-174.1	0	0	0	0	0	114.3	A114 Q173 F174 T175	A114-G177 VanDerWaalsContact CB-C 3.46Å; A114-G177 WeakPolarHBondContact CB-O 3.31Å; A114-G177 PolarHBondContact N-O 3.1Å; A114-G177 VanDerWaalsContact N-O 3.15Å; Q173-G177 PolarHBondContact O-N 3.28Å; Q173-G177 VanDerWaalsContact O-N 3.11Å; F174-G177 PolarHBondContact O-N 3.44Å; T175-G177 PolarHBondContact O-N 2.67Å
178	R	96.4	Very high	95.6	Very high	141 Å²	141	45.1 Å²	45.1	53%	0.532	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.9	-170.6	-70.9	180	-176.2	-178.9	4.9	110.1	M87 V111 V112 Q173 S176	M87-R178 HydrophobicContact SD-CG 3.91Å; V111-R178 HydrophobicContact CG1-CB 3.66Å; V111-R178 HydrophobicContact CG1-CG 3.9Å; V112-R178 WeakPolarHBondContact O-CA 3.47Å; Q173-R178 WeakPolarHBondContact CB-O 3.33Å; Q173-R178 PolarHBondContact O-N 3.37Å; S176-R178 PolarHBondContact O-N 3.38Å; S176-R178 PolarHBondContact OG-N 3.4Å; S176-R178 PolarHBondContact OG-O 2.64Å
179	L	97.4	Very high	95.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	145.3	177.3	-55.5	178.6	0	0	0	110.8	V111 V112 A114 F117 L170 Q173 F174 I197	V111-L179 WeakPolarHBondContact CA-O 3.36Å; V112-L179 HydrophobicContact CG2-CB 3.93Å; V112-L179 PolarHBondContact N-O 3.21Å; V112-L179 PolarHBondContact O-N 3.27Å; A114-L179 HydrophobicContact CB-CD1 4.13Å; A114-L179 HydrophobicContact CB-CD2 4.08Å; A114-L179 HydrophobicContact CB-CG 3.69Å; F117-L179 HydrophobicContact CB-CD1 4.44Å; F117-L179 HydrophobicContact CD2-CD1 3.73Å; F117-L179 HydrophobicContact CE2-CD1 4.37Å; F117-L179 HydrophobicContact CG-CD1 4.35Å; L170-L179 HydrophobicContact CD1-CD2 3.99Å; Q173-L179 HydrophobicContact CB-CD2 3.6Å; F174-L179 HydrophobicContact CD1-CD2 4.17Å; F174-L179 HydrophobicContact CD2-CD2 4.07Å; F174-L179 HydrophobicContact CE1-CD1 3.93Å; F174-L179 HydrophobicContact CE1-CD2 4.22Å; F174-L179 HydrophobicContact CE2-CD1 4.45Å; F174-L179 HydrophobicContact CE2-CD2 4.12Å; F174-L179 HydrophobicContact CG-CD2 4.09Å; F174-L179 HydrophobicContact CZ-CD1 3.83Å; F174-L179 HydrophobicContact CZ-CD2 4.19Å; L179-I197 HydrophobicContact CB-CG2 4.36Å; L179-I197 HydrophobicContact CD1-CD1 3.76Å; L179-I197 HydrophobicContact CD1-CG1 4.43Å; L179-I197 HydrophobicContact CD1-CG2 4.38Å
180	L	97.8	Very high	96	Very high	22 Å²	22	46.2 Å²	46.2	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.6	168.3	-69	174.1	0	0	0	109.8	V109 V111 L198 L203 I207 I210	V109-L180 HydrophobicContact CG1-CD2 4.18Å; V111-L180 HydrophobicContact CG2-CD2 3.75Å; L180-L198 HydrophobicContact CB-CB 4.47Å; L180-L198 HydrophobicContact CB-CD1 4.1Å; L180-L198 PolarHBondContact O-N 3.21Å; L180-L203 HydrophobicContact CB-CD1 4.18Å; L180-L203 HydrophobicContact CD1-CD1 3.95Å; L180-I207 HydrophobicContact CD1-CG1 4.06Å; L180-I210 HydrophobicContact CD1-CD1 4.32Å
181	A	98.3	Very high	96.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	155	-179	0	0	0	0	0	111.3	F73 V109 V110 V112 Y196	F73-A181 HydrophobicContact CD1-CB 3.62Å; F73-A181 HydrophobicContact CE1-CB 3.81Å; F73-A181 HydrophobicContact CG-CB 4.47Å; V109-A181 CarbonylContact C-O 3.59Å; V109-A181 WeakPolarHBondContact CA-O 3.48Å; V110-A181 HydrophobicContact CG2-CB 4.28Å; V110-A181 WeakPolarHBondContact CG2-O 3.39Å; V110-A181 PolarHBondContact N-O 3.15Å; V110-A181 PolarHBondContact O-N 2.92Å; V112-A181 HydrophobicContact CG1-CB 3.99Å; V112-A181 HydrophobicContact CG2-CB 3.91Å; A181-Y196 CarbonylContact C-O 3.59Å; A181-Y196 VanDerWaalsContact CA-O 3.24Å; A181-Y196 WeakPolarHBondContact CA-O 3.36Å; A181-Y196 WeakPolarHBondContact CB-O 3.33Å
182	V	98.1	Very high	96.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.5	175.4	174.6	0	0	0	0	109.8	V109 A184 G195 Y196 L198 Y206	V109-V182 HydrophobicContact CG2-CG2 4.16Å; V182-A184 PolarHBondContact O-N 3.01Å; V182-G195 CarbonylContact O-C 3.6Å; V182-G195 WeakPolarHBondContact O-CA 3.36Å; V182-Y196 HydrophobicContact CB-CE1 4.04Å; V182-Y196 HydrophobicContact CB-CE2 4.29Å; V182-Y196 HydrophobicContact CG1-CE1 4.12Å; V182-Y196 PolarHBondContact N-O 2.96Å; V182-Y196 PolarHBondContact O-N 3.34Å; V182-L198 HydrophobicContact CG2-CD1 4.01Å; V182-L198 HydrophobicContact CG2-CD2 3.45Å; V182-L198 VanDerWaalsContact CG2-CD2 3.45Å; V182-L198 HydrophobicContact CG2-CG 3.78Å; V182-Y206 HydrophobicContact CG2-CE2 4.28Å
183	I	98	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	111.2	171.3	-61.2	179.2	0	0	0	109.2	F73 L104 N107 A108 V110 P187 A193 D194	F73-I183 HydrophobicContact CE1-CG1 4.44Å; F73-I183 HydrophobicContact CZ-CG1 4.48Å; L104-I183 HydrophobicContact CB-CD1 4.09Å; L104-I183 HydrophobicContact CD2-CD1 3.92Å; N107-I183 WeakPolarHBondContact CA-O 3.41Å; N107-I183 PolarHBondContact N-O 2.99Å; A108-I183 HydrophobicContact CB-CD1 4.49Å; A108-I183 PolarHBondContact O-N 3.05Å; V110-I183 HydrophobicContact CG1-CD1 3.75Å; V110-I183 HydrophobicContact CG1-CG1 4.09Å; V110-I183 HydrophobicContact CG2-CD1 4.44Å; V110-I183 HydrophobicContact CG2-CG1 4.02Å; I183-P187 HydrophobicContact CG2-CG 4.28Å; I183-A193 HydrophobicContact CD1-CB 4.35Å; I183-D194 CarbonylContact C-O 3.55Å
184	A	97.8	Very high	96.7	Very high	45 Å²	45	44.3 Å²	44.3	37%	0.372	23%	0.231	S	C	.	.			trans	-86.4	-25.2	176	0	0	0	0	0	112.6	K106 V182 D194 Y196	K106-A184 WeakPolarHBondContact CE-O 3.49Å; V182-A184 PolarHBondContact O-N 3.01Å; A184-D194 PolarHBondContact N-O 3.1Å; A184-Y196 HydrophobicContact CB-CD1 4.2Å; A184-Y196 HydrophobicContact CB-CE1 4.34Å
185	S	97.4	Very high	96.8	Very high	20 Å²	20	44.6 Å²	44.6	14%	0.14	24%	0.235	C	C	.	.	S	Bend	trans	-78	173.8	-179.7	79.6	0	0	0	0	113	K106 P187 R192 A193 D194	K106-S185 WeakPolarHBondContact CA-O 3.19Å; K106-S185 VanDerWaalsContact CB-O 3.28Å; K106-S185 WeakPolarHBondContact CB-O 3.45Å; S185-P187 WeakPolarHBondContact O-CD 3.49Å; S185-R192 PolarHBondContact OG-O 2.82Å; S185-A193 WeakPolarHBondContact OG-CA 3.37Å; S185-D194 PolarHBondContact N-O 2.89Å; S185-D194 PolarHBondContact OG-N 3.22Å; S185-D194 PolarHBondContact OG-O 2.78Å
186	R	97.8	Very high	97.1	Very high	161 Å²	161	46 Å²	46	61%	0.608	24%	0.235	S	C	*	.			trans	-113.9	91.1	173.3	-61.2	179.4	87.5	172.5	8.6	109.8	K106 G188 Q189 V190	K106-R186 HydrophobicContact CB-CG 4.07Å; K106-R186 HydrophobicContact CD-CG 3.97Å; K106-R186 HydrophobicContact CG-CG 4.5Å; R186-G188 VanDerWaalsContact C-N 3.27Å; R186-G188 PolarHBondContact O-N 3.01Å; R186-G188 VanDerWaalsContact O-N 3.15Å; R186-Q189 HydrophobicContact CB-CB 4.21Å; R186-Q189 HydrophobicContact CB-CG 4.24Å; R186-Q189 PolarHBondContact O-N 3.3Å; R186-V190 PolarHBondContact O-N 3.32Å
187	P	97.6	Very high	97.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-53.4	-39	-175.3	-29	34.4	0	0	0	114.5	T44 A65 L68 L104 I183 S185 Q189 G191 R192 A193	T44-P187 HydrophobicContact CG2-CB 4.18Å; A65-P187 HydrophobicContact CB-CB 4.34Å; A65-P187 WeakPolarHBondContact CB-O 3.28Å; A65-P187 PolarHBondContact N-O 3.48Å; L68-P187 HydrophobicContact CD1-CB 4.11Å; L104-P187 HydrophobicContact CB-CG 4.34Å; I183-P187 HydrophobicContact CG2-CG 4.28Å; S185-P187 WeakPolarHBondContact O-CD 3.49Å; P187-Q189 PolarHBondContact O-N 2.95Å; P187-G191 VanDerWaalsContact O-CA 3.29Å; P187-G191 WeakPolarHBondContact O-CA 3.48Å; P187-G191 PolarHBondContact O-N 2.94Å; P187-R192 WeakPolarHBondContact CA-O 3.41Å; P187-A193 HydrophobicContact CG-CB 4.17Å
188	G	96.3	Very high	97.5	Very high	19 Å²	19	41.1 Å²	41.1	20%	0.196	20%	0.197	C	C	.	.	H	α-helix	trans	-73.6	-4	179.2	0	0	0	0	0	116.1	R186	R186-G188 VanDerWaalsContact C-N 3.27Å; R186-G188 PolarHBondContact O-N 3.01Å; R186-G188 VanDerWaalsContact O-N 3.15Å
189	Q	95.9	Very high	97.5	Very high	75 Å²	75	36.6 Å²	36.6	35%	0.35	18%	0.182	S	C	.	.	H	α-helix	trans	-117.3	-41.3	178.1	-60.1	-61.1	-67.1	0	0	112.5	F63 R186 P187	F63-Q189 PolarHBondContact N-O 2.94Å; F63-Q189 CarbonylContact O-C 3.52Å; F63-Q189 VanDerWaalsContact O-O 3.13Å; R186-Q189 HydrophobicContact CB-CB 4.21Å; R186-Q189 HydrophobicContact CB-CG 4.24Å; R186-Q189 PolarHBondContact O-N 3.3Å; P187-Q189 PolarHBondContact O-N 2.95Å
190	V	97	Very high	97.4	Very high	75 Å²	75	37.8 Å²	37.8	46%	0.455	19%	0.193	S	C	.	.	H	α-helix	trans	-103.3	-18.8	-173.5	-176.7	0	0	0	0	112.1	F63 R186 R192	F63-V190 WeakPolarHBondContact CB-O 3.14Å; F63-V190 CarbonylContact O-C 3.58Å; F63-V190 PolarHBondContact O-N 3.26Å; R186-V190 PolarHBondContact O-N 3.32Å; V190-R192 VanDerWaalsContact C-N 3.29Å; V190-R192 HydrophobicContact CG1-CB 4.44Å; V190-R192 HydrophobicContact CG1-CG 4.31Å; V190-R192 PolarHBondContact O-N 3.41Å
191	G	96.9	Very high	97.3	Very high	7 Å²	7	44.3 Å²	44.3	7%	0.072	22%	0.223	C	C	.	.	S	Bend	trans	77.4	12.3	-179.8	0	0	0	0	0	114.5	F63 P187	F63-G191 PolarHBondContact O-N 3.25Å; P187-G191 VanDerWaalsContact O-CA 3.29Å; P187-G191 WeakPolarHBondContact O-CA 3.48Å; P187-G191 PolarHBondContact O-N 2.94Å
192	R	97.1	Very high	97.3	Very high	159 Å²	159	47.6 Å²	47.6	60%	0.6	24%	0.239	S	C	*	.			trans	-128.6	149.1	-180	-56.4	-175.4	-173.2	-173.9	0.6	110.7	S185 P187 V190 D194	S185-R192 PolarHBondContact OG-O 2.82Å; P187-R192 WeakPolarHBondContact CA-O 3.41Å; V190-R192 VanDerWaalsContact C-N 3.29Å; V190-R192 HydrophobicContact CG1-CB 4.44Å; V190-R192 HydrophobicContact CG1-CG 4.31Å; V190-R192 PolarHBondContact O-N 3.41Å; R192-D194 WeakPolarHBondContact CB-OD2 3.24Å; R192-D194 WeakPolarHBondContact CD-OD2 3.47Å
193	A	97.3	Very high	97.2	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	24%	0.239	C	C	.	.			trans	-115.7	67.3	176.6	0	0	0	0	0	109.3	L68 G71 I86 I183 S185 P187	L68-A193 HydrophobicContact CD1-CB 3.75Å; G71-A193 WeakPolarHBondContact CA-O 3.5Å; I86-A193 HydrophobicContact CD1-CB 3.59Å; I183-A193 HydrophobicContact CD1-CB 4.35Å; S185-A193 WeakPolarHBondContact OG-CA 3.37Å; P187-A193 HydrophobicContact CG-CB 4.17Å
194	D	97.9	Very high	97.1	Very high	43 Å²	43	53.2 Å²	53.2	23%	0.23	27%	0.265	C	S	.	.			trans	-92.2	151.9	-177.6	-51.9	-35.3	0	0	0	109.5	N72 I183 A184 S185 R192	N72-D194 HydrophobicContact CB-CB 4.44Å; N72-D194 WeakPolarHBondContact CB-OD1 3.21Å; N72-D194 PolarHBondContact N-OD1 2.87Å; N72-D194 VanDerWaalsContact N-OD1 3.14Å; N72-D194 CarbonylContact O-C 3.54Å; N72-D194 WeakPolarHBondContact O-CA 3.46Å; N72-D194 WeakPolarHBondContact O-CB 3.19Å; I183-D194 CarbonylContact C-O 3.55Å; A184-D194 PolarHBondContact N-O 3.1Å; S185-D194 PolarHBondContact N-O 2.89Å; S185-D194 PolarHBondContact OG-N 3.22Å; S185-D194 PolarHBondContact OG-O 2.78Å; R192-D194 WeakPolarHBondContact CB-OD2 3.24Å; R192-D194 WeakPolarHBondContact CD-OD2 3.47Å
195	G	98.1	Very high	97.1	Very high	11 Å²	11	54.8 Å²	54.8	11%	0.113	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	-167.6	-169.7	0	0	0	0	0	114.3	N72 F73 S74 V182	N72-G195 PolarHBondContact O-N 3.39Å; F73-G195 CarbonylContact C-O 3.59Å; F73-G195 VanDerWaalsContact CA-O 3.32Å; F73-G195 WeakPolarHBondContact CA-O 3.41Å; S74-G195 PolarHBondContact N-O 2.97Å; V182-G195 CarbonylContact O-C 3.6Å; V182-G195 WeakPolarHBondContact O-CA 3.36Å
196	Y	98.2	Very high	97.1	Very high	81 Å²	81	55.4 Å²	55.4	32%	0.318	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.7	177.1	62.3	-86.8	0	0	0	110.3	S74 A181 V182 A184 L198 E202	S74-Y196 CarbonylContact O-C 3.51Å; S74-Y196 WeakPolarHBondContact O-CA 3.43Å; A181-Y196 CarbonylContact C-O 3.59Å; A181-Y196 VanDerWaalsContact CA-O 3.24Å; A181-Y196 WeakPolarHBondContact CA-O 3.36Å; A181-Y196 WeakPolarHBondContact CB-O 3.33Å; V182-Y196 HydrophobicContact CB-CE1 4.04Å; V182-Y196 HydrophobicContact CB-CE2 4.29Å; V182-Y196 HydrophobicContact CG1-CE1 4.12Å; V182-Y196 PolarHBondContact N-O 2.96Å; V182-Y196 PolarHBondContact O-N 3.34Å; A184-Y196 HydrophobicContact CB-CD1 4.2Å; A184-Y196 HydrophobicContact CB-CE1 4.34Å; Y196-L198 HydrophobicContact CE2-CD2 4.3Å; Y196-E202 WeakPolarHBondContact CE2-OE2 3.26Å; Y196-E202 PolarHBondContact OH-OE1 3.04Å
197	I	98	Very high	97	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.2	177.1	-59.2	168.8	0	0	0	108.5	S74 W75 F117 L170 L179	S74-I197 PolarHBondContact O-N 2.81Å; W75-I197 HydrophobicContact CB-CD1 3.63Å; W75-I197 HydrophobicContact CG-CD1 3.91Å; F117-I197 HydrophobicContact CD1-CD1 4Å; F117-I197 HydrophobicContact CD2-CD1 3.79Å; F117-I197 HydrophobicContact CE1-CD1 3.79Å; F117-I197 HydrophobicContact CE2-CD1 3.55Å; F117-I197 HydrophobicContact CE2-CG1 4.26Å; F117-I197 HydrophobicContact CG-CD1 4Å; F117-I197 HydrophobicContact CZ-CD1 3.56Å; F117-I197 HydrophobicContact CZ-CG1 4.25Å; L170-I197 HydrophobicContact CD1-CG2 3.95Å; L179-I197 HydrophobicContact CB-CG2 4.36Å; L179-I197 HydrophobicContact CD1-CD1 3.76Å; L179-I197 HydrophobicContact CD1-CG1 4.43Å; L179-I197 HydrophobicContact CD1-CG2 4.38Å
198	L	97.7	Very high	96.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.27	C	S	.	.			trans	-76.2	130.4	176.3	-74.7	176.7	0	0	0	110.6	V109 L180 V182 Y196 E202 L203 Y206	V109-L198 HydrophobicContact CG1-CD1 3.87Å; V109-L198 HydrophobicContact CG2-CD1 4.44Å; L180-L198 HydrophobicContact CB-CB 4.47Å; L180-L198 HydrophobicContact CB-CD1 4.1Å; L180-L198 PolarHBondContact O-N 3.21Å; V182-L198 HydrophobicContact CG2-CD1 4.01Å; V182-L198 HydrophobicContact CG2-CD2 3.45Å; V182-L198 VanDerWaalsContact CG2-CD2 3.45Å; V182-L198 HydrophobicContact CG2-CG 3.78Å; Y196-L198 HydrophobicContact CE2-CD2 4.3Å; L198-E202 HydrophobicContact CD2-CB 4.26Å; L198-E202 HydrophobicContact CD2-CG 3.61Å; L198-E202 WeakPolarHBondContact CD2-OE1 3.29Å; L198-L203 HydrophobicContact CB-CB 4.03Å; L198-L203 HydrophobicContact CB-CD1 3.73Å; L198-L203 HydrophobicContact CB-CG 4.47Å; L198-Y206 HydrophobicContact CD1-CD2 3.51Å; L198-Y206 HydrophobicContact CD1-CE2 4.26Å; L198-Y206 HydrophobicContact CD1-CG 4.01Å; L198-Y206 HydrophobicContact CD2-CD2 3.7Å; L198-Y206 HydrophobicContact CD2-CE2 3.84Å; L198-Y206 HydrophobicContact CG-CD2 4.27Å
199	E	96.6	Very high	96.9	Very high	46 Å²	46	60.2 Å²	60.2	22%	0.215	28%	0.28	C	S	.	.			trans	-136	161.2	-179.9	-56.6	-173	106.7	0	0	110.9	W75 S77 L170 E202 L203	W75-E199 PolarHBondContact NE1-OE1 2.9Å; S77-E199 WeakPolarHBondContact CB-OE1 3.3Å; S77-E199 PolarHBondContact N-OE2 3.5Å; S77-E199 PolarHBondContact OG-OE1 3.05Å; S77-E199 PolarHBondContact OG-OE2 3.32Å; L170-E199 HydrophobicContact CD2-CG 4.46Å; E199-E202 PolarHBondContact O-N 2.88Å; E199-L203 PolarHBondContact O-N 3.11Å
200	G	95.9	Very high	96.8	Very high	24 Å²	24	58.4 Å²	58.4	25%	0.247	27%	0.273	C	S	.	.	H	α-helix	trans	54.1	-139.4	173.1	0	0	0	0	0	114.8	E167 E202 L203 E204	E167-G200 WeakPolarHBondContact OE2-CA 3.41Å; E167-G200 PolarHBondContact OE2-N 2.99Å; G200-E202 PolarHBondContact O-N 3.3Å; G200-L203 WeakPolarHBondContact O-CB 3.4Å; G200-L203 PolarHBondContact O-N 3.29Å; G200-L203 VanDerWaalsContact O-N 3.09Å; G200-E204 PolarHBondContact O-N 3.48Å
201	H	96.2	Very high	96.7	Very high	160 Å²	160	62.9 Å²	62.9	74%	0.741	28%	0.281	S	S	*	.	H	α-helix	trans	-59.8	-30.4	-178.8	-65	-58.6	0	0	0	113.9	E204 F205	H201-E204 IonicContact ND1-OE2 3.56Å; H201-F205 VanDerWaalsContact O-CB 3.29Å; H201-F205 WeakPolarHBondContact O-CB 3.5Å; H201-F205 PolarHBondContact O-N 2.86Å
202	E	97.2	Very high	96.6	Very high	69 Å²	69	65.3 Å²	65.3	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-68.2	-42.3	177.4	-164.6	-175.3	178.7	0	0	110.2	Y196 L198 E199 G200 F205 Y206	Y196-E202 WeakPolarHBondContact CE2-OE2 3.26Å; Y196-E202 PolarHBondContact OH-OE1 3.04Å; L198-E202 HydrophobicContact CD2-CB 4.26Å; L198-E202 HydrophobicContact CD2-CG 3.61Å; L198-E202 WeakPolarHBondContact CD2-OE1 3.29Å; E199-E202 PolarHBondContact O-N 2.88Å; G200-E202 PolarHBondContact O-N 3.3Å; E202-F205 PolarHBondContact O-N 2.81Å; E202-Y206 HydrophobicContact CG-CD2 3.92Å; E202-Y206 HydrophobicContact CG-CE2 3.63Å; E202-Y206 WeakPolarHBondContact O-CD2 3.44Å; E202-Y206 PolarHBondContact O-N 2.97Å; E202-Y206 VanDerWaalsContact O-N 3.09Å
203	L	97	Very high	96.3	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-49.3	175.2	177.6	60.5	0	0	0	111.5	A169 L180 L198 E199 G200 F205 Y206 I207	A169-L203 HydrophobicContact CB-CD2 3.95Å; L180-L203 HydrophobicContact CB-CD1 4.18Å; L180-L203 HydrophobicContact CD1-CD1 3.95Å; L198-L203 HydrophobicContact CB-CB 4.03Å; L198-L203 HydrophobicContact CB-CD1 3.73Å; L198-L203 HydrophobicContact CB-CG 4.47Å; E199-L203 PolarHBondContact O-N 3.11Å; G200-L203 WeakPolarHBondContact O-CB 3.4Å; G200-L203 PolarHBondContact O-N 3.29Å; G200-L203 VanDerWaalsContact O-N 3.09Å; L203-F205 VanDerWaalsContact C-N 3.29Å; L203-F205 PolarHBondContact O-N 2.78Å; L203-Y206 PolarHBondContact O-N 3.15Å; L203-I207 HydrophobicContact CD1-CD1 3.8Å; L203-I207 HydrophobicContact CD1-CG1 4Å; L203-I207 HydrophobicContact CD2-CD1 4.35Å; L203-I207 HydrophobicContact CG-CD1 3.74Å; L203-I207 HydrophobicContact CG-CG1 4.34Å; L203-I207 WeakPolarHBondContact O-CB 3.26Å; L203-I207 VanDerWaalsContact O-CG1 3.31Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.79Å
204	E	96.2	Very high	96	Very high	118 Å²	118	70.5 Å²	70.5	55%	0.551	33%	0.325	S	S	*	.	H	α-helix	trans	-56	-45.4	177.5	-170.4	-168.5	168.7	0	0	111.4	G200 H201 Y206 I207 R208	G200-E204 PolarHBondContact O-N 3.48Å; H201-E204 IonicContact ND1-OE2 3.56Å; E204-Y206 PolarHBondContact O-N 2.57Å; E204-I207 PolarHBondContact O-N 3.24Å; E204-R208 WeakPolarHBondContact O-CB 3.42Å; E204-R208 PolarHBondContact O-N 2.83Å
205	F	97.3	Very high	95.5	Very high	78 Å²	78	73 Å²	73	34%	0.342	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-49.9	177.9	174.3	-90.8	0	0	0	112.1	H201 E202 L203 R208 K209	H201-F205 VanDerWaalsContact O-CB 3.29Å; H201-F205 WeakPolarHBondContact O-CB 3.5Å; H201-F205 PolarHBondContact O-N 2.86Å; E202-F205 PolarHBondContact O-N 2.81Å; L203-F205 VanDerWaalsContact C-N 3.29Å; L203-F205 PolarHBondContact O-N 2.78Å; F205-R208 PolarHBondContact O-N 2.92Å; F205-K209 HydrophobicContact CD1-CG 4.34Å; F205-K209 HydrophobicContact CE1-CG 3.91Å; F205-K209 HydrophobicContact CE2-CG 4.49Å; F205-K209 HydrophobicContact CZ-CD 4.4Å; F205-K209 HydrophobicContact CZ-CG 4Å; F205-K209 WeakPolarHBondContact O-CG 2.9Å; F205-K209 PolarHBondContact O-N 2.85Å
206	Y	96.9	Very high	94.5	Very high	32 Å²	32	83.6 Å²	83.6	13%	0.125	39%	0.394	C	S	.	.	H	α-helix	trans	-70.7	-37.8	-178.9	-76.2	-63.8	0	0	0	112.4	Y91 V109 V182 L198 E202 L203 E204 R208 K209 I210	Y91-Y206 AromaticContact CD1-CD1 3.76Å; Y91-Y206 HydrophobicContact CD1-CD1 3.76Å; Y91-Y206 AromaticContact CD1-CE1 3.81Å; Y91-Y206 HydrophobicContact CD1-CE1 3.81Å; Y91-Y206 AromaticContact CE1-CD1 3.91Å; Y91-Y206 HydrophobicContact CE1-CD1 3.91Å; Y91-Y206 AromaticContact CE1-CE1 3.71Å; Y91-Y206 HydrophobicContact CE1-CE1 3.71Å; V109-Y206 HydrophobicContact CG2-CD1 3.66Å; V109-Y206 HydrophobicContact CG2-CD2 4.35Å; V109-Y206 HydrophobicContact CG2-CE1 3.73Å; V109-Y206 HydrophobicContact CG2-CE2 4.4Å; V109-Y206 HydrophobicContact CG2-CG 3.98Å; V182-Y206 HydrophobicContact CG2-CE2 4.28Å; L198-Y206 HydrophobicContact CD1-CD2 3.51Å; L198-Y206 HydrophobicContact CD1-CE2 4.26Å; L198-Y206 HydrophobicContact CD1-CG 4.01Å; L198-Y206 HydrophobicContact CD2-CD2 3.7Å; L198-Y206 HydrophobicContact CD2-CE2 3.84Å; L198-Y206 HydrophobicContact CG-CD2 4.27Å; E202-Y206 HydrophobicContact CG-CD2 3.92Å; E202-Y206 HydrophobicContact CG-CE2 3.63Å; E202-Y206 WeakPolarHBondContact O-CD2 3.44Å; E202-Y206 PolarHBondContact O-N 2.97Å; E202-Y206 VanDerWaalsContact O-N 3.09Å; L203-Y206 PolarHBondContact O-N 3.15Å; E204-Y206 PolarHBondContact O-N 2.57Å; Y206-R208 VanDerWaalsContact C-N 3.31Å; Y206-R208 PolarHBondContact O-N 3.29Å; Y206-K209 PolarHBondContact O-N 3.34Å; Y206-I210 WeakPolarHBondContact O-CB 3.39Å; Y206-I210 WeakPolarHBondContact O-CD1 3.27Å; Y206-I210 WeakPolarHBondContact O-CG1 3.42Å; Y206-I210 PolarHBondContact O-N 2.87Å
207	I	95.8	Very high	94.3	Very high	41 Å²	41	83.8 Å²	83.8	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-56.6	-47.8	172.3	-71.9	174.2	0	0	0	109.9	L180 L203 E204 K209 I210 R211	L180-I207 HydrophobicContact CD1-CG1 4.06Å; L203-I207 HydrophobicContact CD1-CD1 3.8Å; L203-I207 HydrophobicContact CD1-CG1 4Å; L203-I207 HydrophobicContact CD2-CD1 4.35Å; L203-I207 HydrophobicContact CG-CD1 3.74Å; L203-I207 HydrophobicContact CG-CG1 4.34Å; L203-I207 WeakPolarHBondContact O-CB 3.26Å; L203-I207 VanDerWaalsContact O-CG1 3.31Å; L203-I207 WeakPolarHBondContact O-CG1 3.49Å; L203-I207 PolarHBondContact O-N 2.79Å; E204-I207 PolarHBondContact O-N 3.24Å; I207-K209 PolarHBondContact O-N 2.93Å; I207-I210 PolarHBondContact O-N 3.23Å; I207-R211 HydrophobicContact CG2-CG 4.33Å; I207-R211 WeakPolarHBondContact O-CB 3.28Å; I207-R211 WeakPolarHBondContact O-CG 3.23Å; I207-R211 PolarHBondContact O-N 3.36Å
208	R	96.1	Very high	94.1	Very high	150 Å²	150	88.1 Å²	88.1	57%	0.566	42%	0.418	S	S	*	.	H	α-helix	trans	-59.5	-43.7	177.2	-177.3	173.7	60.5	-173.1	-3.1	112	E204 F205 Y206 R211 A212	E204-R208 WeakPolarHBondContact O-CB 3.42Å; E204-R208 PolarHBondContact O-N 2.83Å; F205-R208 PolarHBondContact O-N 2.92Å; Y206-R208 VanDerWaalsContact C-N 3.31Å; Y206-R208 PolarHBondContact O-N 3.29Å; R208-R211 PolarHBondContact O-N 2.87Å; R208-A212 WeakPolarHBondContact O-CB 3.16Å; R208-A212 PolarHBondContact O-N 3.36Å
209	K	95.8	Very high	93.9	Very high	91 Å²	91	92.9 Å²	92.9	40%	0.396	44%	0.442	S	S	.	.	H	α-helix	trans	-64.6	-40.3	176.9	-71.1	-66.2	-176.5	-176.4	0	112.7	Y91 F205 Y206 I207 R213	Y91-K209 HydrophobicContact CE2-CB 4.04Å; F205-K209 HydrophobicContact CD1-CG 4.34Å; F205-K209 HydrophobicContact CE1-CG 3.91Å; F205-K209 HydrophobicContact CE2-CG 4.49Å; F205-K209 HydrophobicContact CZ-CD 4.4Å; F205-K209 HydrophobicContact CZ-CG 4Å; F205-K209 WeakPolarHBondContact O-CG 2.9Å; F205-K209 PolarHBondContact O-N 2.85Å; Y206-K209 PolarHBondContact O-N 3.34Å; I207-K209 PolarHBondContact O-N 2.93Å; K209-R213 WeakPolarHBondContact O-CB 3.37Å; K209-R213 PolarHBondContact O-N 3.35Å; K209-R213 VanDerWaalsContact O-N 3.1Å
210	I	94.9	Very high	93.8	Very high	38 Å²	38	95.7 Å²	95.7	20%	0.195	46%	0.455	C	S	.	.	H	α-helix	trans	-66	-46.8	177.4	-67.8	162.2	0	0	0	110.3	V90 L180 Y206 I207 R213 K214	V90-I210 HydrophobicContact CB-CD1 4.48Å; V90-I210 HydrophobicContact CG1-CD1 3.67Å; V90-I210 HydrophobicContact CG1-CG1 3.93Å; V90-I210 HydrophobicContact CG1-CG2 3.83Å; L180-I210 HydrophobicContact CD1-CD1 4.32Å; Y206-I210 WeakPolarHBondContact O-CB 3.39Å; Y206-I210 WeakPolarHBondContact O-CD1 3.27Å; Y206-I210 WeakPolarHBondContact O-CG1 3.42Å; Y206-I210 PolarHBondContact O-N 2.87Å; I207-I210 PolarHBondContact O-N 3.23Å; I210-R213 PolarHBondContact O-N 3.45Å; I210-K214 PolarHBondContact O-N 2.94Å
211	R	94.8	Very high	93.6	Very high	169 Å²	169	100.2 Å²	100.2	64%	0.638	47%	0.468	S	S	*	.	H	α-helix	trans	-59.1	-48.7	176.6	-72.9	179.4	-178.6	179.1	2.3	111.6	I207 R208 R213 K214 A215	I207-R211 HydrophobicContact CG2-CG 4.33Å; I207-R211 WeakPolarHBondContact O-CB 3.28Å; I207-R211 WeakPolarHBondContact O-CG 3.23Å; I207-R211 PolarHBondContact O-N 3.36Å; R208-R211 PolarHBondContact O-N 2.87Å; R211-R213 PolarHBondContact O-N 3.21Å; R211-K214 PolarHBondContact O-N 3.33Å; R211-K214 VanDerWaalsContact O-N 3.12Å; R211-A215 PolarHBondContact O-N 3.13Å; R211-A215 VanDerWaalsContact O-N 3.1Å
212	A	94.5	Very high	93.5	Very high	57 Å²	57	96.2 Å²	96.2	47%	0.471	45%	0.45	S	S	.	.	H	α-helix	trans	-61.7	-30	178.1	0	0	0	0	0	113.3	R208	R208-A212 WeakPolarHBondContact O-CB 3.16Å; R208-A212 PolarHBondContact O-N 3.36Å
213	R	90.4	Very high	93.2	Very high	81 Å²	81	98.1 Å²	98.1	31%	0.306	46%	0.459	S	S	.	.	H	α-helix	trans	-78.7	-30.9	175.8	-175.2	176.1	169.5	-149.3	-0	112.8	V90 K209 I210 R211	V90-R213 PolarHBondContact O-NH1 3.26Å; K209-R213 WeakPolarHBondContact O-CB 3.37Å; K209-R213 PolarHBondContact O-N 3.35Å; K209-R213 VanDerWaalsContact O-N 3.1Å; I210-R213 PolarHBondContact O-N 3.45Å; R211-R213 PolarHBondContact O-N 3.21Å
214	K	90.2	Very high	92.9	Very high	189 Å²	189	105.6 Å²	105.6	82%	0.822	49%	0.494	S	S	*	.	H	α-helix	trans	-75.3	-26.6	177	-171.7	179.3	177.2	-173.8	0	112.5	I210 R211 K216	I210-K214 PolarHBondContact O-N 2.94Å; R211-K214 PolarHBondContact O-N 3.33Å; R211-K214 VanDerWaalsContact O-N 3.12Å; K214-K216 VanDerWaalsContact C-N 3.28Å
215	A	88.6	Confident	92.6	Very high	94 Å²	94	104.6 Å²	104.6	78%	0.777	49%	0.489	S	S	*	.			trans	-78.7	-10.2	176.9	0	0	0	0	0	113.9	R211	R211-A215 PolarHBondContact O-N 3.13Å; R211-A215 VanDerWaalsContact O-N 3.1Å
216	K	76.4	Confident	92.2	Very high	235 Å²	235	107 Å²	107	100%	1.022	50%	0.502	S	S	*	.			trans	-98.6	0	173.2	-69.6	-175.8	178	-167.6	0	109.9	K214	K214-K216 VanDerWaalsContact C-N 3.28Å

Retrieved 216 of 216 residues in 250.3 ms (Link to these results)

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