G4VTM4_SCHMA Loading...

Ubiquitin-like-conjugating enzyme ATG3

AlphaFold DB , UniProt , Accession G4VTM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 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	M	52.3	Low	57.7	Low	192 Å²	192	114.4 Å²	114.4	95%	0.946	59%	0.594	S	S	*	*				0	-16.3	0	-76	171.2	178	0	0	111.6	V4 R5	M1-V4 PolarHBondContact O-N 3.33Å; M1-R5 PolarHBondContact O-N 2.81Å
2	D	61.9	Low	58.1	Low	107 Å²	107	109.4 Å²	109.4	57%	0.572	58%	0.582	S	S	*	*	H	α-helix	trans	-68.7	-35.7	-175.1	-48.1	-63.4	0	0	0	113.5	V4 R5 Q6	D2-V4 PolarHBondContact O-N 3.43Å; D2-R5 PolarHBondContact O-N 3.33Å; D2-Q6 WeakPolarHBondContact O-CB 3.27Å; D2-Q6 WeakPolarHBondContact O-CG 3.38Å; D2-Q6 PolarHBondContact O-N 3.01Å
3	S	59.9	Low	58.5	Low	86 Å²	86	106.7 Å²	106.7	60%	0.601	57%	0.567	S	S	*	*	H	α-helix	trans	-61	-42.1	176.8	-178.9	0	0	0	0	112.4	Q6 V7	S3-Q6 PolarHBondContact O-N 3.34Å; S3-V7 VanDerWaalsContact O-CG2 3.26Å; S3-V7 WeakPolarHBondContact O-CG2 3.46Å; S3-V7 PolarHBondContact O-N 2.86Å
4	V	58.3	Low	58.6	Low	103 Å²	103	101.4 Å²	101.4	62%	0.624	55%	0.551	S	S	*	*	H	α-helix	trans	-67.1	-41.4	177.4	-179.5	0	0	0	0	110.8	M1 D2 V7 V8	M1-V4 PolarHBondContact O-N 3.33Å; D2-V4 PolarHBondContact O-N 3.43Å; V4-V7 PolarHBondContact O-N 3.19Å; V4-V8 HydrophobicContact CG1-CG2 4.33Å; V4-V8 VanDerWaalsContact O-CG2 3.27Å; V4-V8 WeakPolarHBondContact O-CG2 3.44Å; V4-V8 PolarHBondContact O-N 3.34Å
5	R	58	Low	59.1	Low	172 Å²	172	102.2 Å²	102.2	65%	0.649	55%	0.554	S	S	*	*	H	α-helix	trans	-61.3	-46.6	176	-72.7	-177.8	173.8	178	-3.2	111.4	M1 D2 V7 V8 T9	M1-R5 PolarHBondContact O-N 2.81Å; D2-R5 PolarHBondContact O-N 3.33Å; R5-V7 VanDerWaalsContact C-N 3.32Å; R5-V7 PolarHBondContact O-N 3.14Å; R5-V8 PolarHBondContact O-N 3.02Å; R5-T9 WeakPolarHBondContact O-CB 3.33Å; R5-T9 PolarHBondContact O-N 3.29Å; R5-T9 PolarHBondContact O-OG1 2.61Å
6	Q	54	Low	59.8	Low	114 Å²	114	97.4 Å²	97.4	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-41	177.4	-74	178.7	-11.1	0	0	112.2	D2 S3 R10	D2-Q6 WeakPolarHBondContact O-CB 3.27Å; D2-Q6 WeakPolarHBondContact O-CG 3.38Å; D2-Q6 PolarHBondContact O-N 3.01Å; S3-Q6 PolarHBondContact O-N 3.34Å; Q6-R10 WeakPolarHBondContact O-CB 3.48Å; Q6-R10 VanDerWaalsContact O-CG 3.29Å; Q6-R10 WeakPolarHBondContact O-CG 3.48Å; Q6-R10 PolarHBondContact O-N 3.07Å
7	V	55.1	Low	60.2	Low	83 Å²	83	94.8 Å²	94.8	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-44.2	176.4	172.5	0	0	0	0	111.4	S3 V4 R5 R10 T11	S3-V7 VanDerWaalsContact O-CG2 3.26Å; S3-V7 WeakPolarHBondContact O-CG2 3.46Å; S3-V7 PolarHBondContact O-N 2.86Å; V4-V7 PolarHBondContact O-N 3.19Å; R5-V7 VanDerWaalsContact C-N 3.32Å; R5-V7 PolarHBondContact O-N 3.14Å; V7-R10 PolarHBondContact O-N 3.07Å; V7-T11 WeakPolarHBondContact O-CB 3.31Å; V7-T11 PolarHBondContact O-N 3.39Å; V7-T11 PolarHBondContact O-OG1 3.29Å
8	V	53.2	Low	60.6	Low	89 Å²	89	99.7 Å²	99.7	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-63.8	-45.3	177.2	172.6	0	0	0	0	110.7	V4 R5 R10 T11 A12	V4-V8 HydrophobicContact CG1-CG2 4.33Å; V4-V8 VanDerWaalsContact O-CG2 3.27Å; V4-V8 WeakPolarHBondContact O-CG2 3.44Å; V4-V8 PolarHBondContact O-N 3.34Å; R5-V8 PolarHBondContact O-N 3.02Å; V8-R10 PolarHBondContact O-N 2.93Å; V8-T11 PolarHBondContact O-N 3.2Å; V8-A12 VanDerWaalsContact O-CB 3.28Å; V8-A12 WeakPolarHBondContact O-CB 3.4Å; V8-A12 PolarHBondContact O-N 3.19Å
9	T	60.9	Low	61.4	Low	81 Å²	81	100.7 Å²	100.7	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-46.1	177.2	-57.1	0	0	0	0	111.2	R5 T11 A12 L13	R5-T9 WeakPolarHBondContact O-CB 3.33Å; R5-T9 PolarHBondContact O-N 3.29Å; R5-T9 PolarHBondContact O-OG1 2.61Å; T9-T11 VanDerWaalsContact C-N 3.31Å; T9-T11 PolarHBondContact O-N 3.4Å; T9-A12 PolarHBondContact O-N 3.35Å; T9-L13 HydrophobicContact CG2-CD1 3.97Å; T9-L13 HydrophobicContact CG2-CG 4.43Å; T9-L13 WeakPolarHBondContact O-CB 3.24Å; T9-L13 VanDerWaalsContact O-CG 3.26Å; T9-L13 WeakPolarHBondContact O-CG 3.27Å; T9-L13 PolarHBondContact O-N 2.65Å
10	R	60.8	Low	62.2	Low	149 Å²	149	97 Å²	97	56%	0.562	52%	0.518	S	S	*	.	H	α-helix	trans	-60.9	-39.8	176.4	-76.3	176.8	179.6	175.2	-0.2	112.4	Q6 V7 V8 G14	Q6-R10 WeakPolarHBondContact O-CB 3.48Å; Q6-R10 VanDerWaalsContact O-CG 3.29Å; Q6-R10 WeakPolarHBondContact O-CG 3.48Å; Q6-R10 PolarHBondContact O-N 3.07Å; V7-R10 PolarHBondContact O-N 3.07Å; V8-R10 PolarHBondContact O-N 2.93Å; R10-G14 PolarHBondContact O-N 3.26Å
11	T	60.5	Low	63.3	Low	82 Å²	82	97.2 Å²	97.2	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-71.8	-41	179.1	-53.9	0	0	0	0	111.3	V7 V8 T9 G14 L15	V7-T11 WeakPolarHBondContact O-CB 3.31Å; V7-T11 PolarHBondContact O-N 3.39Å; V7-T11 PolarHBondContact O-OG1 3.29Å; V8-T11 PolarHBondContact O-N 3.2Å; T9-T11 VanDerWaalsContact C-N 3.31Å; T9-T11 PolarHBondContact O-N 3.4Å; T11-G14 PolarHBondContact O-N 2.83Å; T11-L15 PolarHBondContact O-N 3.29Å; T11-L15 VanDerWaalsContact O-N 3.07Å
12	A	61.9	Low	64.8	Low	55 Å²	55	91.1 Å²	91.1	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-42.6	176.4	0	0	0	0	0	111.6	V8 T9 L15 A16	V8-A12 VanDerWaalsContact O-CB 3.28Å; V8-A12 WeakPolarHBondContact O-CB 3.4Å; V8-A12 PolarHBondContact O-N 3.19Å; T9-A12 PolarHBondContact O-N 3.35Å; A12-L15 PolarHBondContact O-N 3.37Å; A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.23Å
13	L	63.3	Low	66	Low	74 Å²	74	86.9 Å²	86.9	39%	0.387	47%	0.473	S	S	.	.	H	α-helix	trans	-62.7	-43.4	174.8	-72.8	168.9	0	0	0	111.8	T9 L15 A16 E17	T9-L13 HydrophobicContact CG2-CD1 3.97Å; T9-L13 HydrophobicContact CG2-CG 4.43Å; T9-L13 WeakPolarHBondContact O-CB 3.24Å; T9-L13 VanDerWaalsContact O-CG 3.26Å; T9-L13 WeakPolarHBondContact O-CG 3.27Å; T9-L13 PolarHBondContact O-N 2.65Å; L13-L15 VanDerWaalsContact C-N 3.28Å; L13-L15 PolarHBondContact O-N 3.32Å; L13-A16 WeakPolarHBondContact O-CB 3.45Å; L13-A16 PolarHBondContact O-N 3.01Å; L13-A16 VanDerWaalsContact O-N 3.14Å; L13-E17 PolarHBondContact O-N 3.01Å
14	G	60.5	Low	67.1	Low	33 Å²	33	90.7 Å²	90.7	34%	0.34	48%	0.479	S	S	.	.	H	α-helix	trans	-59.4	-37.5	175.7	0	0	0	0	0	113	R10 T11 Y18	R10-G14 PolarHBondContact O-N 3.26Å; T11-G14 PolarHBondContact O-N 2.83Å; G14-Y18 VanDerWaalsContact O-CD2 3.27Å; G14-Y18 WeakPolarHBondContact O-CD2 3.15Å
15	L	65.4	Low	68.5	Low	113 Å²	113	92.9 Å²	92.9	59%	0.592	48%	0.482	S	S	*	.	H	α-helix	trans	-75.5	-35.7	174.3	-68.8	176.9	0	0	0	112.6	T11 A12 L13 E17 Y18 V19	T11-L15 PolarHBondContact O-N 3.29Å; T11-L15 VanDerWaalsContact O-N 3.07Å; A12-L15 PolarHBondContact O-N 3.37Å; L13-L15 VanDerWaalsContact C-N 3.28Å; L13-L15 PolarHBondContact O-N 3.32Å; L15-E17 VanDerWaalsContact C-N 3.26Å; L15-E17 PolarHBondContact O-N 3.14Å; L15-Y18 PolarHBondContact O-N 2.8Å; L15-V19 PolarHBondContact O-N 2.93Å
16	A	70.7	Confident	70.1	Confident	26 Å²	26	88.2 Å²	88.2	22%	0.215	48%	0.476	C	S	.	.	H	α-helix	trans	-60.5	-38.5	177.5	0	0	0	0	0	111.3	A12 L13 Y18 V19 T20 Y218	A12-A16 WeakPolarHBondContact O-CB 3.48Å; A12-A16 PolarHBondContact O-N 3.23Å; L13-A16 WeakPolarHBondContact O-CB 3.45Å; L13-A16 PolarHBondContact O-N 3.01Å; L13-A16 VanDerWaalsContact O-N 3.14Å; A16-Y18 PolarHBondContact O-N 3.22Å; A16-V19 PolarHBondContact O-N 3.24Å; A16-T20 PolarHBondContact O-N 2.8Å; A16-T20 PolarHBondContact O-OG1 2.97Å; A16-Y218 HydrophobicContact CB-CD2 3.82Å; A16-Y218 HydrophobicContact CB-CE2 3.74Å
17	E	67.3	Low	71.7	Confident	52 Å²	52	87 Å²	87	24%	0.243	47%	0.469	C	S	.	.	H	α-helix	trans	-55	-36.7	174.3	-165.7	-172.2	173.7	0	0	111.9	L13 L15 R63 K217	L13-E17 PolarHBondContact O-N 3.01Å; L15-E17 VanDerWaalsContact C-N 3.26Å; L15-E17 PolarHBondContact O-N 3.14Å; E17-R63 IonicContact OE1-CZ 3.29Å; E17-R63 IonicContact OE1-NE 2.83Å; E17-R63 IonicContact OE1-NH2 3.52Å; E17-R63 PolarHBondContact OE1-NH2 2.72Å; E17-R63 IonicContact OE2-NH2 2.89Å; E17-R63 PolarHBondContact OE2-NH2 2.7Å; E17-K217 HydrophobicContact CG-CB 4.15Å; E17-K217 HydrophobicContact CG-CD 4.45Å; E17-K217 PolarHBondContact O-NZ 3.23Å
18	Y	66.6	Low	73.3	Confident	183 Å²	183	83.1 Å²	83.1	72%	0.718	45%	0.445	S	S	*	.	H	α-helix	trans	-74.8	-28.2	177.7	-75.8	-83.6	0	0	0	113.7	G14 L15 A16	G14-Y18 VanDerWaalsContact O-CD2 3.27Å; G14-Y18 WeakPolarHBondContact O-CD2 3.15Å; L15-Y18 PolarHBondContact O-N 2.8Å; A16-Y18 PolarHBondContact O-N 3.22Å
19	V	75.4	Confident	75	Confident	120 Å²	120	84.7 Å²	84.7	73%	0.727	44%	0.441	S	S	*	.	H	α-helix	trans	-89.5	-30.2	-175.4	-177.7	0	0	0	0	112	L15 A16	L15-V19 PolarHBondContact O-N 2.93Å; A16-V19 PolarHBondContact O-N 3.24Å
20	T	78.6	Confident	76.3	Confident	26 Å²	26	87.8 Å²	87.8	16%	0.16	45%	0.45	C	S	.	.	S	Bend	trans	-62.1	123.2	179.9	-56.6	0	0	0	0	110.5	A16 K217 Y218	A16-T20 PolarHBondContact O-N 2.8Å; A16-T20 PolarHBondContact O-OG1 2.97Å; T20-K217 VanDerWaalsContact O-CE 3.31Å; T20-K217 WeakPolarHBondContact O-CE 3.3Å; T20-K217 PolarHBondContact O-NZ 3.28Å; T20-Y218 WeakPolarHBondContact OG1-CD2 3.44Å
21	P	83.9	Confident	77.7	Confident	101 Å²	101	82.8 Å²	82.8	66%	0.656	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-65.8	147.3	177.2	27.3	-33.6	0	0	0	110.7	L23	P21-L23 PolarHBondContact O-N 3.45Å
22	I	85.1	Confident	79.2	Confident	64 Å²	64	78.9 Å²	78.9	33%	0.328	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-69.8	126	173.6	-61.6	157.5	0	0	0	108	K24 P36 Y65	I22-K24 PolarHBondContact O-N 3.33Å; I22-P36 HydrophobicContact CG2-CG 3.72Å; I22-Y65 HydrophobicContact CD1-CD1 4.26Å; I22-Y65 HydrophobicContact CD1-CG 4.27Å; I22-Y65 HydrophobicContact CG1-CD1 4.47Å; I22-Y65 HydrophobicContact CG1-CG 4.43Å
23	L	86.6	Confident	80.7	Confident	18 Å²	18	77 Å²	77	9%	0.094	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-70.1	124.8	172.6	-168.9	72.3	0	0	0	109.1	P21 E25 K27 V33 T35 P36 Q220	P21-L23 PolarHBondContact O-N 3.45Å; L23-E25 WeakPolarHBondContact CG-O 3.42Å; L23-K27 HydrophobicContact CD1-CD 3.93Å; L23-K27 HydrophobicContact CD1-CG 4.31Å; L23-V33 HydrophobicContact CD2-CG2 3.6Å; L23-T35 HydrophobicContact CB-CG2 4.36Å; L23-T35 HydrophobicContact CD2-CG2 3.96Å; L23-T35 HydrophobicContact CG-CG2 3.93Å; L23-T35 WeakPolarHBondContact O-CB 3.27Å; L23-P36 VanDerWaalsContact O-CD 3.24Å; L23-P36 WeakPolarHBondContact O-CD 3.26Å; L23-Q220 HydrophobicContact CB-CG 4.48Å
24	K	83.9	Confident	82.3	Confident	167 Å²	167	73.5 Å²	73.5	73%	0.726	38%	0.377	S	S	*	.			trans	-114.6	-20.1	-178.8	-64.9	-176.8	178.5	-177	0	113.4	I22	I22-K24 PolarHBondContact O-N 3.33Å
25	E	87.1	Confident	84.1	Confident	148 Å²	148	72.1 Å²	72.1	69%	0.692	36%	0.362	S	S	*	.	S	Bend	trans	-108.3	135.7	-178.5	-66.7	178.4	177.8	0	0	108.4	L23 K27	L23-E25 WeakPolarHBondContact CG-O 3.42Å; E25-K27 PolarHBondContact O-N 2.81Å
26	S	91.3	Very high	85.6	Confident	75 Å²	75	66.8 Å²	66.8	52%	0.524	33%	0.334	S	S	.	.			trans	-58.8	126	179.4	-172.1	0	0	0	0	110.3	E38	S26-E38 WeakPolarHBondContact CA-OE1 3.28Å; S26-E38 WeakPolarHBondContact CB-OE1 3.26Å; S26-E38 PolarHBondContact OG-OE1 3.25Å
27	K	88.5	Confident	86.8	Confident	87 Å²	87	70.8 Å²	70.8	38%	0.378	35%	0.348	S	S	.	.			trans	-126.5	16.2	170.3	-63.5	-171	179.4	-175	0	112	L23 E25 R29 E30 T31 V33	L23-K27 HydrophobicContact CD1-CD 3.93Å; L23-K27 HydrophobicContact CD1-CG 4.31Å; E25-K27 PolarHBondContact O-N 2.81Å; K27-R29 PolarHBondContact O-N 3.5Å; K27-E30 PolarHBondContact O-N 2.9Å; K27-T31 HydrophobicContact CB-CG2 4.44Å; K27-T31 WeakPolarHBondContact CB-OG1 3.42Å; K27-T31 PolarHBondContact O-N 2.96Å; K27-T31 PolarHBondContact O-OG1 2.91Å; K27-V33 HydrophobicContact CB-CG2 4.08Å
28	F	88.7	Confident	88.2	Confident	3 Å²	3	69.3 Å²	69.3	1%	0.013	34%	0.341	C	S	.	.	H	α-helix	trans	-53.2	-50.9	-174.1	168.2	-112.5	0	0	0	112.2	E30 G32 V33 I34 M279 I283 L293 V295 Y298	F28-E30 PolarHBondContact O-N 3.05Å; F28-G32 VanDerWaalsContact O-CA 3.29Å; F28-G32 WeakPolarHBondContact O-CA 3.48Å; F28-G32 PolarHBondContact O-N 3.41Å; F28-V33 WeakPolarHBondContact CA-O 3.21Å; F28-V33 PolarHBondContact N-O 2.9Å; F28-I34 HydrophobicContact CB-CG2 4.44Å; F28-I34 HydrophobicContact CD2-CG2 4Å; F28-M279 HydrophobicContact CE2-CG 3.91Å; F28-M279 HydrophobicContact CE2-SD 4.07Å; F28-I283 HydrophobicContact CD1-CD1 4.27Å; F28-I283 HydrophobicContact CD2-CD1 3.92Å; F28-I283 HydrophobicContact CE1-CD1 3.86Å; F28-I283 HydrophobicContact CE1-CG1 4.29Å; F28-I283 HydrophobicContact CE2-CD1 3.47Å; F28-I283 VanDerWaalsContact CE2-CD1 3.47Å; F28-I283 HydrophobicContact CE2-CG1 4.28Å; F28-I283 HydrophobicContact CG-CD1 4.3Å; F28-I283 HydrophobicContact CZ-CD1 3.45Å; F28-I283 VanDerWaalsContact CZ-CD1 3.45Å; F28-I283 HydrophobicContact CZ-CG1 3.85Å; F28-I283 VanDerWaalsContact O-CD1 3.25Å; F28-I283 WeakPolarHBondContact O-CD1 3.44Å; F28-L293 HydrophobicContact CE1-CB 4.38Å; F28-L293 HydrophobicContact CZ-CB 4.3Å; F28-V295 HydrophobicContact CB-CG2 4.05Å; F28-V295 HydrophobicContact CD1-CB 3.98Å; F28-V295 HydrophobicContact CD1-CG2 4.23Å; F28-V295 HydrophobicContact CD2-CG2 4.26Å; F28-V295 HydrophobicContact CE1-CB 4.42Å; F28-V295 HydrophobicContact CG-CB 4.17Å; F28-V295 HydrophobicContact CG-CG2 3.9Å; F28-Y298 AromaticContact CD2-CD2 3.53Å; F28-Y298 HydrophobicContact CD2-CD2 3.53Å; F28-Y298 AromaticContact CD2-CE2 3.83Å; F28-Y298 HydrophobicContact CD2-CE2 3.83Å; F28-Y298 AromaticContact CE2-CD2 3.32Å; F28-Y298 HydrophobicContact CE2-CD2 3.32Å; F28-Y298 AromaticContact CE2-CE2 3.82Å; F28-Y298 HydrophobicContact CE2-CE2 3.82Å; F28-Y298 HydrophobicContact CE2-CG 4.37Å; F28-Y298 HydrophobicContact CZ-CD2 4.45Å
29	R	87.6	Confident	89.7	Confident	121 Å²	121	60.6 Å²	60.6	46%	0.457	31%	0.307	S	S	.	.	H	α-helix	trans	-68.6	-34.9	-176.7	-64.8	-176	-179.7	-100.6	11	113.8	K27 E292	K27-R29 PolarHBondContact O-N 3.5Å; R29-E292 IonicContact CZ-OE2 3.81Å; R29-E292 IonicContact NH1-OE2 2.92Å; R29-E292 PolarHBondContact NH1-OE2 3.05Å; R29-E292 IonicContact NH2-OE2 3.26Å; R29-E292 PolarHBondContact NH2-OE2 3.39Å
30	E	88.5	Confident	90.8	Very high	147 Å²	147	55.7 Å²	55.7	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-84	-31.2	-174.8	-62.6	175.1	178.9	0	0	112.6	K27 F28 R280	K27-E30 PolarHBondContact O-N 2.9Å; F28-E30 PolarHBondContact O-N 3.05Å; E30-R280 VanDerWaalsContact O-CD 3.29Å; E30-R280 WeakPolarHBondContact O-CD 3.46Å
31	T	90.1	Very high	91.7	Very high	44 Å²	44	56.4 Å²	56.4	27%	0.27	29%	0.286	S	S	.	.	H	α-helix	trans	-132.7	-12.3	-166	62.5	0	0	0	0	114.6	K27 V33	K27-T31 HydrophobicContact CB-CG2 4.44Å; K27-T31 WeakPolarHBondContact CB-OG1 3.42Å; K27-T31 PolarHBondContact O-N 2.96Å; K27-T31 PolarHBondContact O-OG1 2.91Å; T31-V33 PolarHBondContact O-N 3.31Å; T31-V33 VanDerWaalsContact OG1-CG2 3.22Å; T31-V33 WeakPolarHBondContact OG1-CG2 3.22Å
32	G	91.9	Very high	92.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	74.1	6.3	-176.5	0	0	0	0	0	115	F28 Y298	F28-G32 VanDerWaalsContact O-CA 3.29Å; F28-G32 WeakPolarHBondContact O-CA 3.48Å; F28-G32 PolarHBondContact O-N 3.41Å; G32-Y298 VanDerWaalsContact O-CE2 3.24Å; G32-Y298 WeakPolarHBondContact O-CE2 3.35Å; G32-Y298 PolarHBondContact O-OH 2.79Å
33	V	94.5	Very high	92.9	Very high	15 Å²	15	48.6 Å²	48.6	9%	0.091	24%	0.239	C	C	.	.			trans	-93.3	161.4	174.6	-49	0	0	0	0	111.4	L23 K27 F28 T31 Q220 A276	L23-V33 HydrophobicContact CD2-CG2 3.6Å; K27-V33 HydrophobicContact CB-CG2 4.08Å; F28-V33 WeakPolarHBondContact CA-O 3.21Å; F28-V33 PolarHBondContact N-O 2.9Å; T31-V33 PolarHBondContact O-N 3.31Å; T31-V33 VanDerWaalsContact OG1-CG2 3.22Å; T31-V33 WeakPolarHBondContact OG1-CG2 3.22Å; V33-Q220 HydrophobicContact CB-CB 3.87Å; V33-Q220 HydrophobicContact CG1-CB 4.37Å; V33-Q220 HydrophobicContact CG2-CB 4.35Å; V33-A276 HydrophobicContact CG1-CB 3.76Å
34	I	96.4	Very high	93.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.			trans	-131.1	150.5	178.5	53.2	171.9	0	0	0	112.9	F28 E38 F39 Y215 Q220 P222 V295 Y298	F28-I34 HydrophobicContact CB-CG2 4.44Å; F28-I34 HydrophobicContact CD2-CG2 4Å; I34-E38 VanDerWaalsContact CA-OE2 3.31Å; I34-E38 WeakPolarHBondContact CA-OE2 3.43Å; I34-E38 HydrophobicContact CB-CB 3.94Å; I34-E38 HydrophobicContact CG2-CB 4.26Å; I34-F39 HydrophobicContact CD1-CB 3.9Å; I34-F39 HydrophobicContact CD1-CD2 4.21Å; I34-Y215 HydrophobicContact CG1-CE2 4.19Å; I34-Y215 VanDerWaalsContact O-CE2 3.27Å; I34-Y215 WeakPolarHBondContact O-CE2 3.44Å; I34-Y215 PolarHBondContact O-OH 2.9Å; I34-Q220 PolarHBondContact N-O 3.32Å; I34-P222 HydrophobicContact CD1-CG 3.94Å; I34-V295 HydrophobicContact CG2-CG2 3.81Å; I34-Y298 HydrophobicContact CB-CD2 4.47Å; I34-Y298 HydrophobicContact CB-CE2 4.45Å; I34-Y298 HydrophobicContact CD1-CD1 4.01Å; I34-Y298 HydrophobicContact CD1-CD2 4.26Å; I34-Y298 HydrophobicContact CD1-CE1 4.21Å; I34-Y298 HydrophobicContact CD1-CE2 4.42Å; I34-Y298 HydrophobicContact CD1-CG 4.07Å; I34-Y298 HydrophobicContact CG1-CD2 4.49Å; I34-Y298 HydrophobicContact CG1-CE2 4.3Å; I34-Y298 HydrophobicContact CG2-CD2 3.25Å; I34-Y298 HydrophobicContact CG2-CE2 3.46Å; I34-Y298 VanDerWaalsContact CG2-CE2 3.46Å; I34-Y298 HydrophobicContact CG2-CG 4.02Å
35	T	96.9	Very high	94	Very high	4 Å²	4	45 Å²	45	3%	0.025	23%	0.226	C	C	.	.			trans	-73.8	163.4	170.8	81.1	0	0	0	0	111.3	L23 E37 E38 F39	L23-T35 HydrophobicContact CB-CG2 4.36Å; L23-T35 HydrophobicContact CD2-CG2 3.96Å; L23-T35 HydrophobicContact CG-CG2 3.93Å; L23-T35 WeakPolarHBondContact O-CB 3.27Å; T35-E37 WeakPolarHBondContact CB-OE2 3.31Å; T35-E37 PolarHBondContact O-N 2.85Å; T35-E37 PolarHBondContact OG1-N 2.74Å; T35-E37 PolarHBondContact OG1-OE2 2.84Å; T35-E38 HydrophobicContact CG2-CG 4.46Å; T35-E38 PolarHBondContact N-OE2 2.69Å; T35-E38 PolarHBondContact O-N 2.52Å; T35-E38 WeakPolarHBondContact OG1-CG 3.48Å; T35-E38 PolarHBondContact OG1-N 3.07Å; T35-F39 PolarHBondContact O-N 3.19Å
36	P	96.8	Very high	94.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-37.2	170.1	-24.7	35.1	0	0	0	113.2	I22 L23 F39 V40 Y65 L66 Y215	I22-P36 HydrophobicContact CG2-CG 3.72Å; L23-P36 VanDerWaalsContact O-CD 3.24Å; L23-P36 WeakPolarHBondContact O-CD 3.26Å; P36-F39 PolarHBondContact O-N 3.47Å; P36-V40 WeakPolarHBondContact O-CG2 3.27Å; P36-V40 PolarHBondContact O-N 3.44Å; P36-Y65 HydrophobicContact CB-CD2 4.19Å; P36-Y65 VanDerWaalsContact CB-O 3.27Å; P36-Y65 WeakPolarHBondContact CB-O 3.34Å; P36-Y65 HydrophobicContact CG-CD2 3.98Å; P36-L66 HydrophobicContact CB-CD2 3.84Å; P36-Y215 HydrophobicContact CG-CE1 3.86Å
37	E	96.8	Very high	94.7	Very high	111 Å²	111	36.3 Å²	36.3	52%	0.519	18%	0.18	S	C	.	.	H	α-helix	trans	-66.5	-40.3	177	-61.7	75.8	-165.5	0	0	111.6	T35 V40 A41	T35-E37 WeakPolarHBondContact CB-OE2 3.31Å; T35-E37 PolarHBondContact O-N 2.85Å; T35-E37 PolarHBondContact OG1-N 2.74Å; T35-E37 PolarHBondContact OG1-OE2 2.84Å; E37-V40 PolarHBondContact O-N 2.98Å; E37-A41 PolarHBondContact O-N 3.24Å
38	E	97.6	Very high	95	Very high	21 Å²	21	41 Å²	41	10%	0.098	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-38.7	174.6	-72.6	175.7	149.1	0	0	112.1	S26 I34 T35 V40 A41 A42 V295	S26-E38 WeakPolarHBondContact CA-OE1 3.28Å; S26-E38 WeakPolarHBondContact CB-OE1 3.26Å; S26-E38 PolarHBondContact OG-OE1 3.25Å; I34-E38 VanDerWaalsContact CA-OE2 3.31Å; I34-E38 WeakPolarHBondContact CA-OE2 3.43Å; I34-E38 HydrophobicContact CB-CB 3.94Å; I34-E38 HydrophobicContact CG2-CB 4.26Å; T35-E38 HydrophobicContact CG2-CG 4.46Å; T35-E38 PolarHBondContact N-OE2 2.69Å; T35-E38 PolarHBondContact O-N 2.52Å; T35-E38 WeakPolarHBondContact OG1-CG 3.48Å; T35-E38 PolarHBondContact OG1-N 3.07Å; E38-V40 VanDerWaalsContact C-N 3.31Å; E38-V40 PolarHBondContact O-N 2.73Å; E38-A41 PolarHBondContact O-N 3.08Å; E38-A42 WeakPolarHBondContact O-CB 3Å; E38-A42 PolarHBondContact O-N 3.27Å; E38-V295 HydrophobicContact CB-CG2 3.78Å; E38-V295 HydrophobicContact CG-CG1 4.36Å; E38-V295 HydrophobicContact CG-CG2 3.8Å
39	F	98.1	Very high	95.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-43.1	171.8	173.7	-104.7	0	0	0	111.5	I34 T35 P36 A42 G43 W55 L66 L73 I213 Y215 P222 L299	I34-F39 HydrophobicContact CD1-CB 3.9Å; I34-F39 HydrophobicContact CD1-CD2 4.21Å; T35-F39 PolarHBondContact O-N 3.19Å; P36-F39 PolarHBondContact O-N 3.47Å; F39-A42 PolarHBondContact O-N 3.43Å; F39-G43 PolarHBondContact O-N 3.26Å; F39-W55 HydrophobicContact CD1-CH2 4Å; F39-W55 AromaticContact CE1-CH2 3.62Å; F39-W55 HydrophobicContact CE1-CH2 3.62Å; F39-W55 AromaticContact CE1-CZ3 3.75Å; F39-W55 HydrophobicContact CE1-CZ3 3.75Å; F39-W55 HydrophobicContact CZ-CH2 4.21Å; F39-W55 HydrophobicContact CZ-CZ3 4.29Å; F39-L66 HydrophobicContact CD1-CD2 4.01Å; F39-L73 HydrophobicContact CZ-CD1 4.29Å; F39-I213 HydrophobicContact CE2-CG2 4Å; F39-I213 HydrophobicContact CZ-CG2 4.39Å; F39-Y215 HydrophobicContact CB-CD2 3.73Å; F39-Y215 HydrophobicContact CB-CE2 4.28Å; F39-Y215 HydrophobicContact CB-CG 4.45Å; F39-Y215 HydrophobicContact CD1-CD2 4.4Å; F39-Y215 HydrophobicContact CD1-CG 4.38Å; F39-Y215 HydrophobicContact CD2-CD2 4.14Å; F39-Y215 AromaticContact CG-CD2 3.83Å; F39-Y215 HydrophobicContact CG-CD2 3.83Å; F39-Y215 HydrophobicContact CG-CG 4.26Å; F39-P222 HydrophobicContact CD2-CG 4.25Å; F39-P222 HydrophobicContact CE2-CB 4.39Å; F39-P222 HydrophobicContact CE2-CG 4.42Å; F39-L299 HydrophobicContact CD2-CD2 4.46Å; F39-L299 HydrophobicContact CE2-CD2 4.27Å
40	V	98.2	Very high	95.4	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.097	18%	0.184	C	C	.	.	H	α-helix	trans	-63.5	-45.2	175	170.1	0	0	0	0	111.2	P36 E37 E38 A42 G43 D44 W55 L66 P67 K70	P36-V40 WeakPolarHBondContact O-CG2 3.27Å; P36-V40 PolarHBondContact O-N 3.44Å; E37-V40 PolarHBondContact O-N 2.98Å; E38-V40 VanDerWaalsContact C-N 3.31Å; E38-V40 PolarHBondContact O-N 2.73Å; V40-A42 PolarHBondContact O-N 3.4Å; V40-G43 PolarHBondContact O-N 2.87Å; V40-D44 PolarHBondContact O-N 3.04Å; V40-W55 HydrophobicContact CG2-CH2 4.35Å; V40-L66 HydrophobicContact CG2-CD2 3.8Å; V40-P67 HydrophobicContact CG2-CG 4.24Å; V40-K70 HydrophobicContact CG1-CD 3.6Å; V40-K70 HydrophobicContact CG2-CB 4.43Å
41	A	97.5	Very high	95.7	Very high	42 Å²	42	34.6 Å²	34.6	35%	0.347	18%	0.18	S	C	.	.	H	α-helix	trans	-62.5	-42.2	178.2	0	0	0	0	0	112.4	E37 E38 D44 F45	E37-A41 PolarHBondContact O-N 3.24Å; E38-A41 PolarHBondContact O-N 3.08Å; A41-D44 PolarHBondContact O-N 2.55Å; A41-F45 WeakPolarHBondContact O-CB 3.24Å; A41-F45 PolarHBondContact O-N 3.04Å
42	A	96.9	Very high	95.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-35.8	176	0	0	0	0	0	112.2	E38 F39 V40 F45 L46 H296 L299	E38-A42 WeakPolarHBondContact O-CB 3Å; E38-A42 PolarHBondContact O-N 3.27Å; F39-A42 PolarHBondContact O-N 3.43Å; V40-A42 PolarHBondContact O-N 3.4Å; A42-F45 PolarHBondContact O-N 3.2Å; A42-L46 WeakPolarHBondContact O-CB 3.14Å; A42-L46 PolarHBondContact O-N 2.99Å; A42-H296 WeakPolarHBondContact CA-O 3.03Å; A42-L299 HydrophobicContact CB-CB 4.41Å; A42-L299 HydrophobicContact CB-CD1 4.18Å; A42-L299 HydrophobicContact CB-CG 3.84Å
43	G	97.8	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-42	173.5	0	0	0	0	0	113	F39 V40 F45 L46 V47 L299	F39-G43 PolarHBondContact O-N 3.26Å; V40-G43 PolarHBondContact O-N 2.87Å; G43-F45 VanDerWaalsContact C-N 3.3Å; G43-F45 PolarHBondContact O-N 2.86Å; G43-L46 PolarHBondContact O-N 3.48Å; G43-V47 VanDerWaalsContact O-CG2 3.3Å; G43-V47 WeakPolarHBondContact O-CG2 3.35Å; G43-V47 PolarHBondContact O-N 3.34Å; G43-L299 VanDerWaalsContact CA-CD1 3.49Å
44	D	97.7	Very high	96.3	Very high	62 Å²	62	40.8 Å²	40.8	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-61.3	-41.2	173.2	-72	-18.3	0	0	0	111.6	V40 A41 Y48 W55 K70	V40-D44 PolarHBondContact O-N 3.04Å; A41-D44 PolarHBondContact O-N 2.55Å; D44-Y48 WeakPolarHBondContact O-CB 3.21Å; D44-Y48 PolarHBondContact O-N 2.94Å; D44-W55 PolarHBondContact OD1-NE1 2.69Å; D44-K70 WeakPolarHBondContact OD1-CE 3.38Å; D44-K70 IonicContact OD1-NZ 2.69Å; D44-K70 PolarHBondContact OD1-NZ 2.87Å; D44-K70 IonicContact OD2-NZ 3.71Å; D44-K70 PolarHBondContact OD2-NZ 2.8Å
45	F	95.9	Very high	96.4	Very high	48 Å²	48	43 Å²	43	21%	0.211	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-42.2	174.9	-173.7	-92.5	0	0	0	112.2	A41 A42 G43 H49 H296 Q297 M300	A41-F45 WeakPolarHBondContact O-CB 3.24Å; A41-F45 PolarHBondContact O-N 3.04Å; A42-F45 PolarHBondContact O-N 3.2Å; G43-F45 VanDerWaalsContact C-N 3.3Å; G43-F45 PolarHBondContact O-N 2.86Å; F45-H49 AromaticContact CD1-ND1 3.68Å; F45-H49 AromaticContact CD2-CE1 3.58Å; F45-H49 AromaticContact CD2-ND1 3.75Å; F45-H49 AromaticContact CE1-CE1 3.78Å; F45-H49 AromaticContact CE1-ND1 3.53Å; F45-H49 AromaticContact CE2-CE1 3.13Å; F45-H49 WeakPolarHBondContact CE2-CE1 3.43Å; F45-H49 AromaticContact CE2-ND1 3.64Å; F45-H49 AromaticContact CG-ND1 3.79Å; F45-H49 AromaticContact CZ-CE1 3.24Å; F45-H49 WeakPolarHBondContact CZ-CE1 3.35Å; F45-H49 AromaticContact CZ-ND1 3.51Å; F45-H49 PolarHBondContact O-N 2.72Å; F45-H49 PolarHBondContact O-ND1 3.02Å; F45-H296 HydrophobicContact CB-CB 4.1Å; F45-H296 WeakPolarHBondContact CB-O 3.31Å; F45-H296 VanDerWaalsContact CD1-O 3.32Å; F45-H296 WeakPolarHBondContact CD1-O 3.29Å; F45-H296 HydrophobicContact CD2-CB 4.28Å; F45-H296 AromaticContact CD2-CD2 3.25Å; F45-H296 WeakPolarHBondContact CD2-CD2 3.48Å; F45-H296 AromaticContact CD2-CG 3.99Å; F45-H296 AromaticContact CE2-CD2 3.21Å; F45-H296 WeakPolarHBondContact CE2-CD2 3.3Å; F45-H296 AromaticContact CE2-NE2 3.59Å; F45-H296 HydrophobicContact CG-CB 4.21Å; F45-H296 AromaticContact CG-CD2 3.68Å; F45-H296 WeakPolarHBondContact CG-O 3.45Å; F45-H296 AromaticContact CZ-CD2 3.65Å; F45-H296 AromaticContact CZ-NE2 4Å; F45-Q297 HydrophobicContact CE1-CG 4.33Å; F45-Q297 HydrophobicContact CZ-CG 4.4Å; F45-M300 HydrophobicContact CD1-CE 4.41Å; F45-M300 HydrophobicContact CD1-CG 4.36Å; F45-M300 HydrophobicContact CE1-CE 4.35Å; F45-M300 HydrophobicContact CE1-CG 4.21Å
46	L	96.2	Very high	96.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-52.4	175.3	176.3	62.8	0	0	0	111.4	A42 G43 Y48 H49 C50 W53 L73 I213 L299 M300 L303	A42-L46 WeakPolarHBondContact O-CB 3.14Å; A42-L46 PolarHBondContact O-N 2.99Å; G43-L46 PolarHBondContact O-N 3.48Å; L46-Y48 VanDerWaalsContact C-N 3.29Å; L46-Y48 PolarHBondContact O-N 2.84Å; L46-H49 PolarHBondContact O-N 3.24Å; L46-H49 VanDerWaalsContact O-N 3.14Å; L46-C50 HydrophobicContact CD1-CB 4.13Å; L46-C50 PolarHBondContact O-N 3.35Å; L46-W53 HydrophobicContact CD1-CG 4.26Å; L46-W53 HydrophobicContact CD2-CB 4.18Å; L46-W53 HydrophobicContact CD2-CD2 3.84Å; L46-W53 HydrophobicContact CD2-CE3 4.3Å; L46-W53 HydrophobicContact CD2-CG 3.78Å; L46-W53 HydrophobicContact CG-CB 4.06Å; L46-W53 HydrophobicContact CG-CD2 4.46Å; L46-W53 HydrophobicContact CG-CG 3.89Å; L46-L73 HydrophobicContact CD2-CD1 4.32Å; L46-I213 HydrophobicContact CD2-CD1 4.18Å; L46-L299 HydrophobicContact CB-CB 4.46Å; L46-L299 HydrophobicContact CB-CD1 4.38Å; L46-L299 HydrophobicContact CD2-CB 4.27Å; L46-L299 HydrophobicContact CD2-CD1 4.09Å; L46-M300 HydrophobicContact CD1-CE 3.79Å; L46-M300 HydrophobicContact CD1-SD 3.57Å; L46-M300 VanDerWaalsContact CD1-SD 3.57Å; L46-L303 HydrophobicContact CD1-CD1 3.74Å; L46-L303 HydrophobicContact CD2-CD1 4.03Å
47	V	96	Very high	96.4	Very high	41 Å²	41	46.6 Å²	46.6	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-38.1	-178.9	172.4	0	0	0	0	111.8	G43 H49 W53 L73	G43-V47 VanDerWaalsContact O-CG2 3.3Å; G43-V47 WeakPolarHBondContact O-CG2 3.35Å; G43-V47 PolarHBondContact O-N 3.34Å; V47-H49 VanDerWaalsContact C-N 3.33Å; V47-H49 PolarHBondContact O-N 3.4Å; V47-W53 HydrophobicContact CG2-CB 4.38Å; V47-L73 HydrophobicContact CG2-CD2 3.44Å; V47-L73 VanDerWaalsContact CG2-CD2 3.44Å
48	Y	94.6	Very high	96.1	Very high	185 Å²	185	42.7 Å²	42.7	73%	0.725	23%	0.231	S	C	*	.	H	α-helix	trans	-64.3	-38	177.3	176.3	-92.9	0	0	0	112.5	D44 L46	D44-Y48 WeakPolarHBondContact O-CB 3.21Å; D44-Y48 PolarHBondContact O-N 2.94Å; L46-Y48 VanDerWaalsContact C-N 3.29Å; L46-Y48 PolarHBondContact O-N 2.84Å
49	H	92.4	Very high	95.9	Very high	40 Å²	40	46.1 Å²	46.1	19%	0.185	25%	0.25	C	S	.	.	H	α-helix	trans	-90	-32.6	-175.7	-74.5	97.9	0	0	0	113.8	F45 L46 V47 M300 R319	F45-H49 AromaticContact CD1-ND1 3.68Å; F45-H49 AromaticContact CD2-CE1 3.58Å; F45-H49 AromaticContact CD2-ND1 3.75Å; F45-H49 AromaticContact CE1-CE1 3.78Å; F45-H49 AromaticContact CE1-ND1 3.53Å; F45-H49 AromaticContact CE2-CE1 3.13Å; F45-H49 WeakPolarHBondContact CE2-CE1 3.43Å; F45-H49 AromaticContact CE2-ND1 3.64Å; F45-H49 AromaticContact CG-ND1 3.79Å; F45-H49 AromaticContact CZ-CE1 3.24Å; F45-H49 WeakPolarHBondContact CZ-CE1 3.35Å; F45-H49 AromaticContact CZ-ND1 3.51Å; F45-H49 PolarHBondContact O-N 2.72Å; F45-H49 PolarHBondContact O-ND1 3.02Å; L46-H49 PolarHBondContact O-N 3.24Å; L46-H49 VanDerWaalsContact O-N 3.14Å; V47-H49 VanDerWaalsContact C-N 3.33Å; V47-H49 PolarHBondContact O-N 3.4Å; H49-M300 HydrophobicContact CB-CE 3.43Å; H49-M300 VanDerWaalsContact CB-CE 3.43Å; H49-R319 PolarHBondContact CD2-NH1 3.42Å; H49-R319 PolarHBondContact CD2-NH2 2.87Å; H49-R319 VanDerWaalsContact CD2-NH2 3.32Å; H49-R319 PolarHBondContact NE2-NH1 3.4Å
50	C	93.3	Very high	95.6	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.02	27%	0.265	C	S	.	.			trans	-125.9	83.8	-178.9	-60.5	0	0	0	0	108	L46 T52 W53 D316	L46-C50 HydrophobicContact CD1-CB 4.13Å; L46-C50 PolarHBondContact O-N 3.35Å; C50-T52 PolarHBondContact O-N 2.92Å; C50-W53 PolarHBondContact O-N 3.4Å; C50-D316 HydrophobicContact CB-CB 4.26Å; C50-D316 WeakPolarHBondContact CB-OD2 3.33Å; C50-D316 VanDerWaalsContact SG-CG 3.56Å; C50-D316 PolarHBondContact SG-OD1 3.42Å
51	P	93.3	Very high	95.1	Very high	94 Å²	94	51.7 Å²	51.7	61%	0.61	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-7.2	-174.3	-23.8	35.3	0	0	0	115.2	W53	P51-W53 VanDerWaalsContact C-N 3.25Å
52	T	95.1	Very high	94.8	Very high	68 Å²	68	51.9 Å²	51.9	42%	0.417	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.8	169.4	54.9	0	0	0	0	111.7	C50 T75 D316	C50-T52 PolarHBondContact O-N 2.92Å; T52-T75 PolarHBondContact O-OG1 2.94Å; T52-D316 HydrophobicContact CG2-CB 4.44Å; T52-D316 WeakPolarHBondContact OG1-CB 3.47Å
53	W	97.6	Very high	94.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.			trans	-81.1	139.4	171.7	-70.3	94	0	0	0	111.3	L46 V47 C50 P51 L73 I74 T75 L211 I213 L224 L303 Y315 D316	L46-W53 HydrophobicContact CD1-CG 4.26Å; L46-W53 HydrophobicContact CD2-CB 4.18Å; L46-W53 HydrophobicContact CD2-CD2 3.84Å; L46-W53 HydrophobicContact CD2-CE3 4.3Å; L46-W53 HydrophobicContact CD2-CG 3.78Å; L46-W53 HydrophobicContact CG-CB 4.06Å; L46-W53 HydrophobicContact CG-CD2 4.46Å; L46-W53 HydrophobicContact CG-CG 3.89Å; V47-W53 HydrophobicContact CG2-CB 4.38Å; C50-W53 PolarHBondContact O-N 3.4Å; P51-W53 VanDerWaalsContact C-N 3.25Å; W53-L73 HydrophobicContact CE3-CB 3.97Å; W53-L73 HydrophobicContact CZ3-CB 4.36Å; W53-I74 CarbonylContact C-O 3.49Å; W53-I74 WeakPolarHBondContact CA-O 3.28Å; W53-T75 HydrophobicContact CD2-CG2 3.91Å; W53-T75 HydrophobicContact CE3-CG2 3.92Å; W53-T75 HydrophobicContact CH2-CG2 3.59Å; W53-T75 HydrophobicContact CZ2-CG2 3.55Å; W53-T75 HydrophobicContact CZ3-CG2 3.77Å; W53-L211 HydrophobicContact CH2-CB 3.97Å; W53-I213 HydrophobicContact CE3-CD1 4.2Å; W53-I213 HydrophobicContact CH2-CD1 3.52Å; W53-I213 HydrophobicContact CH2-CG1 3.75Å; W53-I213 HydrophobicContact CZ2-CD1 4.14Å; W53-I213 HydrophobicContact CZ3-CD1 3.57Å; W53-I213 HydrophobicContact CZ3-CG1 3.67Å; W53-L224 HydrophobicContact CH2-CD1 4.42Å; W53-L303 HydrophobicContact CH2-CD2 4.2Å; W53-L303 HydrophobicContact CZ2-CD1 3.95Å; W53-L303 HydrophobicContact CZ2-CD2 3.73Å; W53-Y315 HydrophobicContact CZ2-CD2 4.39Å; W53-D316 PolarHBondContact NE1-O 3.29Å
54	Q	97.5	Very high	94.5	Very high	121 Å²	121	60.4 Å²	60.4	57%	0.565	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.7	-179	-60.7	-179.5	3.7	0	0	111.1	L73 I74	Q54-L73 CarbonylContact O-C 3.58Å; Q54-L73 VanDerWaalsContact O-CA 3.28Å; Q54-L73 WeakPolarHBondContact O-CA 3.46Å; Q54-I74 HydrophobicContact CB-CG2 4.47Å; Q54-I74 PolarHBondContact N-O 2.92Å; Q54-I74 PolarHBondContact O-N 2.92Å
55	W	98.4	Very high	94.3	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.178	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	147.2	171.1	-78.2	113	0	0	0	112.1	F39 V40 D44 E69 K70 L73	F39-W55 HydrophobicContact CD1-CH2 4Å; F39-W55 AromaticContact CE1-CH2 3.62Å; F39-W55 HydrophobicContact CE1-CH2 3.62Å; F39-W55 AromaticContact CE1-CZ3 3.75Å; F39-W55 HydrophobicContact CE1-CZ3 3.75Å; F39-W55 HydrophobicContact CZ-CH2 4.21Å; F39-W55 HydrophobicContact CZ-CZ3 4.29Å; V40-W55 HydrophobicContact CG2-CH2 4.35Å; D44-W55 PolarHBondContact OD1-NE1 2.69Å; W55-E69 WeakPolarHBondContact CB-O 3.36Å; W55-K70 HydrophobicContact CB-CG 4.35Å; W55-K70 HydrophobicContact CD2-CB 3.64Å; W55-K70 HydrophobicContact CD2-CD 4.17Å; W55-K70 HydrophobicContact CD2-CG 3.76Å; W55-K70 HydrophobicContact CE3-CB 3.55Å; W55-K70 HydrophobicContact CE3-CG 4.19Å; W55-K70 HydrophobicContact CG-CB 4.21Å; W55-K70 HydrophobicContact CG-CD 4.33Å; W55-K70 HydrophobicContact CG-CG 3.84Å; W55-K70 HydrophobicContact CH2-CB 4.12Å; W55-K70 HydrophobicContact CZ2-CB 4.17Å; W55-K70 HydrophobicContact CZ2-CD 4.2Å; W55-K70 HydrophobicContact CZ3-CB 3.8Å; W55-K70 WeakPolarHBondContact CZ3-O 3.29Å; W55-L73 HydrophobicContact CD2-CD2 3.87Å; W55-L73 HydrophobicContact CD2-CG 4.1Å; W55-L73 HydrophobicContact CE3-CD2 4.21Å; W55-L73 HydrophobicContact CE3-CG 3.91Å; W55-L73 HydrophobicContact CG-CD2 4.26Å; W55-L73 HydrophobicContact CH2-CD1 4.17Å; W55-L73 HydrophobicContact CH2-CG 4.16Å; W55-L73 HydrophobicContact CZ2-CD1 4.45Å; W55-L73 HydrophobicContact CZ2-CD2 4.28Å; W55-L73 HydrophobicContact CZ2-CG 4.34Å; W55-L73 HydrophobicContact CZ3-CD1 4.34Å; W55-L73 HydrophobicContact CZ3-CG 3.94Å
56	A	97.5	Very high	94.3	Very high	20 Å²	20	57.3 Å²	57.3	17%	0.165	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.2	176.2	0	0	0	0	0	112.5	Q71 Y72 I74	A56-Q71 WeakPolarHBondContact O-CB 3.43Å; A56-Q71 PolarHBondContact O-N 3.01Å; A56-Y72 HydrophobicContact CB-CD2 4.17Å; A56-Y72 HydrophobicContact CB-CE1 3.94Å; A56-Y72 HydrophobicContact CB-CE2 3.53Å; A56-Y72 WeakPolarHBondContact CB-OH 3.33Å; A56-Y72 PolarHBondContact N-O 3.43Å; A56-Y72 PolarHBondContact O-N 2.85Å; A56-I74 HydrophobicContact CB-CG2 4.25Å
57	T	95.3	Very high	94.4	Very high	60 Å²	60	59.7 Å²	59.7	37%	0.368	34%	0.342	S	S	.	.			trans	-97.4	-39.2	-178.1	-59.3	0	0	0	0	113.2	K68 Q71	T57-K68 VanDerWaalsContact CB-O 3.3Å; T57-K68 WeakPolarHBondContact CB-O 3.48Å; T57-K68 WeakPolarHBondContact CG2-O 3.4Å; T57-K68 PolarHBondContact OG1-O 2.82Å; T57-Q71 HydrophobicContact CG2-CG 4.42Å; T57-Q71 WeakPolarHBondContact O-CB 3.2Å; T57-Q71 WeakPolarHBondContact O-CG 3.25Å
58	G	92	Very high	94.4	Very high	28 Å²	28	65.3 Å²	65.3	29%	0.289	36%	0.363	S	S	.	.			trans	86.9	178	-173.2	0	0	0	0	0	113.3	H261	G58-H261 CarbonylContact C-O 3.58Å; G58-H261 WeakPolarHBondContact CA-O 3.48Å
59	D	92.3	Very high	94.4	Very high	93 Å²	93	61.9 Å²	61.9	50%	0.497	35%	0.354	S	S	.	.	S	Bend	trans	-103	-17.5	179.8	63.8	0.5	0	0	0	112.9	H261 L262 S263	D59-H261 PolarHBondContact N-O 3.07Å; D59-L262 VanDerWaalsContact OD1-C 3.29Å; D59-L262 WeakPolarHBondContact OD1-CA 3.4Å; D59-S263 VanDerWaalsContact CG-N 3.3Å; D59-S263 PolarHBondContact OD1-N 3.18Å; D59-S263 VanDerWaalsContact OD2-CB 3.24Å; D59-S263 WeakPolarHBondContact OD2-CB 3.48Å; D59-S263 PolarHBondContact OD2-N 2.83Å; D59-S263 VanDerWaalsContact OD2-N 3.07Å; D59-S263 PolarHBondContact OD2-OG 3.27Å
60	K	91.4	Very high	94.7	Very high	71 Å²	71	62.1 Å²	62.1	31%	0.309	35%	0.354	S	S	.	.	S	Bend	trans	-79.3	164.3	170.5	-68.3	177.6	173.5	167.4	0	110.4	A62 S258 H259 P260 H261 L262	K60-A62 PolarHBondContact O-N 3.37Å; K60-S258 PolarHBondContact NZ-OG 2.76Å; K60-H259 PolarHBondContact NZ-O 2.92Å; K60-P260 WeakPolarHBondContact CD-O 3.35Å; K60-H261 PolarHBondContact N-O 3.16Å; K60-H261 VanDerWaalsContact N-O 3.14Å; K60-L262 WeakPolarHBondContact CE-O 3.43Å; K60-L262 PolarHBondContact NZ-O 3.44Å
61	G	87.7	Confident	94.9	Very high	62 Å²	62	62 Å²	62	64%	0.639	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-59.2	127.6	179.8	0	0	0	0	0	112.6
62	A	92.2	Very high	95.1	Very high	46 Å²	46	58 Å²	58	38%	0.38	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-58.3	136.1	178	0	0	0	0	0	111.7	K60 Q71	K60-A62 PolarHBondContact O-N 3.37Å; A62-Q71 HydrophobicContact CB-CG 4.25Å
63	R	93.5	Very high	95.3	Very high	57 Å²	57	54.8 Å²	54.8	22%	0.215	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-68.9	127.5	173.9	-59.7	-57.4	-160.1	-161.6	17.8	109.2	E17 Y65 L66 Q71	E17-R63 IonicContact OE1-CZ 3.29Å; E17-R63 IonicContact OE1-NE 2.83Å; E17-R63 IonicContact OE1-NH2 3.52Å; E17-R63 PolarHBondContact OE1-NH2 2.72Å; E17-R63 IonicContact OE2-NH2 2.89Å; E17-R63 PolarHBondContact OE2-NH2 2.7Å; R63-Y65 HydrophobicContact CB-CD1 4.23Å; R63-Y65 HydrophobicContact CB-CD2 4.45Å; R63-Y65 HydrophobicContact CB-CE1 3.72Å; R63-Y65 HydrophobicContact CB-CE2 3.96Å; R63-Y65 HydrophobicContact CG-CE1 4.2Å; R63-Y65 HydrophobicContact CG-CE2 4.43Å; R63-Y65 WeakPolarHBondContact CG-OH 3.48Å; R63-Y65 PolarHBondContact O-N 2.95Å; R63-L66 PolarHBondContact O-N 3.25Å; R63-L66 VanDerWaalsContact O-O 3.09Å; R63-Q71 PolarHBondContact O-NE2 2.88Å
64	S	94.2	Very high	95.3	Very high	122 Å²	122	55.2 Å²	55.2	85%	0.853	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.7	-173.4	61.3	0	0	0	0	114.8
65	Y	93.9	Very high	95.3	Very high	35 Å²	35	49.8 Å²	49.8	14%	0.137	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.5	179	54.5	-97.6	0	0	0	113.1	I22 P36 R63 Y215 K217	I22-Y65 HydrophobicContact CD1-CD1 4.26Å; I22-Y65 HydrophobicContact CD1-CG 4.27Å; I22-Y65 HydrophobicContact CG1-CD1 4.47Å; I22-Y65 HydrophobicContact CG1-CG 4.43Å; P36-Y65 HydrophobicContact CB-CD2 4.19Å; P36-Y65 VanDerWaalsContact CB-O 3.27Å; P36-Y65 WeakPolarHBondContact CB-O 3.34Å; P36-Y65 HydrophobicContact CG-CD2 3.98Å; R63-Y65 HydrophobicContact CB-CD1 4.23Å; R63-Y65 HydrophobicContact CB-CD2 4.45Å; R63-Y65 HydrophobicContact CB-CE1 3.72Å; R63-Y65 HydrophobicContact CB-CE2 3.96Å; R63-Y65 HydrophobicContact CG-CE1 4.2Å; R63-Y65 HydrophobicContact CG-CE2 4.43Å; R63-Y65 WeakPolarHBondContact CG-OH 3.48Å; R63-Y65 PolarHBondContact O-N 2.95Å; Y65-Y215 HydrophobicContact CD2-CD1 4.48Å; Y65-Y215 AromaticContact CE2-CD1 3.87Å; Y65-Y215 HydrophobicContact CE2-CD1 3.87Å; Y65-Y215 HydrophobicContact CE2-CE1 4.34Å; Y65-K217 HydrophobicContact CD1-CD 4.13Å; Y65-K217 HydrophobicContact CE1-CD 3.58Å
66	L	96.7	Very high	95.2	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.058	30%	0.301	C	S	.	.	S	Bend	trans	-127	149.8	173.5	-72.6	170.7	0	0	0	109.9	P36 F39 V40 R63 Q71	P36-L66 HydrophobicContact CB-CD2 3.84Å; F39-L66 HydrophobicContact CD1-CD2 4.01Å; V40-L66 HydrophobicContact CG2-CD2 3.8Å; R63-L66 PolarHBondContact O-N 3.25Å; R63-L66 VanDerWaalsContact O-O 3.09Å; L66-Q71 PolarHBondContact O-NE2 2.87Å
67	P	96.9	Very high	95.1	Very high	49 Å²	49	56.9 Å²	56.9	32%	0.318	32%	0.317	S	S	.	.			trans	-57.3	145.3	170.5	-20.8	32.1	0	0	0	111.4	V40 E69 K70 Q71	V40-P67 HydrophobicContact CG2-CG 4.24Å; P67-E69 WeakPolarHBondContact CB-OE1 3.5Å; P67-E69 PolarHBondContact O-N 3.46Å; P67-K70 HydrophobicContact CB-CB 4.12Å; P67-K70 HydrophobicContact CB-CG 4.36Å; P67-K70 HydrophobicContact CG-CB 4.29Å; P67-K70 CarbonylContact O-C 3.42Å; P67-K70 PolarHBondContact O-N 3.34Å; P67-Q71 PolarHBondContact O-NE2 3.4Å
68	K	95.8	Very high	95.1	Very high	159 Å²	159	54.3 Å²	54.3	69%	0.691	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.3	-173.3	-72.1	-176.4	178.3	179.8	0	112.4	T57 Q71	T57-K68 VanDerWaalsContact CB-O 3.3Å; T57-K68 WeakPolarHBondContact CB-O 3.48Å; T57-K68 WeakPolarHBondContact CG2-O 3.4Å; T57-K68 PolarHBondContact OG1-O 2.82Å; K68-Q71 WeakPolarHBondContact O-CG 3.29Å
69	E	96.2	Very high	95.3	Very high	114 Å²	114	54.5 Å²	54.5	53%	0.533	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.5	-179.8	67.5	-69.2	170	0	0	113.3	W55 P67	W55-E69 WeakPolarHBondContact CB-O 3.36Å; P67-E69 WeakPolarHBondContact CB-OE1 3.5Å; P67-E69 PolarHBondContact O-N 3.46Å
70	K	97.9	Very high	95.4	Very high	44 Å²	44	50 Å²	50	19%	0.191	27%	0.274	C	S	.	.			trans	-126.6	58.2	-177.5	-56.4	-168.9	-177.2	-177.7	0	112	V40 D44 W55 P67	V40-K70 HydrophobicContact CG1-CD 3.6Å; V40-K70 HydrophobicContact CG2-CB 4.43Å; D44-K70 WeakPolarHBondContact OD1-CE 3.38Å; D44-K70 IonicContact OD1-NZ 2.69Å; D44-K70 PolarHBondContact OD1-NZ 2.87Å; D44-K70 IonicContact OD2-NZ 3.71Å; D44-K70 PolarHBondContact OD2-NZ 2.8Å; W55-K70 HydrophobicContact CB-CG 4.35Å; W55-K70 HydrophobicContact CD2-CB 3.64Å; W55-K70 HydrophobicContact CD2-CD 4.17Å; W55-K70 HydrophobicContact CD2-CG 3.76Å; W55-K70 HydrophobicContact CE3-CB 3.55Å; W55-K70 HydrophobicContact CE3-CG 4.19Å; W55-K70 HydrophobicContact CG-CB 4.21Å; W55-K70 HydrophobicContact CG-CD 4.33Å; W55-K70 HydrophobicContact CG-CG 3.84Å; W55-K70 HydrophobicContact CH2-CB 4.12Å; W55-K70 HydrophobicContact CZ2-CB 4.17Å; W55-K70 HydrophobicContact CZ2-CD 4.2Å; W55-K70 HydrophobicContact CZ3-CB 3.8Å; W55-K70 WeakPolarHBondContact CZ3-O 3.29Å; P67-K70 HydrophobicContact CB-CB 4.12Å; P67-K70 HydrophobicContact CB-CG 4.36Å; P67-K70 HydrophobicContact CG-CB 4.29Å; P67-K70 CarbonylContact O-C 3.42Å; P67-K70 PolarHBondContact O-N 3.34Å
71	Q	97.8	Very high	95.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-86.4	-40.3	-178.4	-65.6	-70.2	-57.3	0	0	112	A56 T57 A62 R63 L66 P67 K68 H261	A56-Q71 WeakPolarHBondContact O-CB 3.43Å; A56-Q71 PolarHBondContact O-N 3.01Å; T57-Q71 HydrophobicContact CG2-CG 4.42Å; T57-Q71 WeakPolarHBondContact O-CB 3.2Å; T57-Q71 WeakPolarHBondContact O-CG 3.25Å; A62-Q71 HydrophobicContact CB-CG 4.25Å; R63-Q71 PolarHBondContact O-NE2 2.88Å; L66-Q71 PolarHBondContact O-NE2 2.87Å; P67-Q71 PolarHBondContact O-NE2 3.4Å; K68-Q71 WeakPolarHBondContact O-CG 3.29Å; Q71-H261 PolarHBondContact OE1-CE1 3.46Å
72	Y	98	Very high	95.4	Very high	11 Å²	11	55 Å²	55	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	162.2	175.5	64.2	-87.6	0	0	0	110.2	A56 I74 Y212 I213 H261	A56-Y72 HydrophobicContact CB-CD2 4.17Å; A56-Y72 HydrophobicContact CB-CE1 3.94Å; A56-Y72 HydrophobicContact CB-CE2 3.53Å; A56-Y72 WeakPolarHBondContact CB-OH 3.33Å; A56-Y72 PolarHBondContact N-O 3.43Å; A56-Y72 PolarHBondContact O-N 2.85Å; Y72-I74 HydrophobicContact CD2-CB 4.44Å; Y72-I74 HydrophobicContact CE2-CB 4.13Å; Y72-Y212 HydrophobicContact CD2-CD1 4.03Å; Y72-Y212 AromaticContact CE2-CD1 3.7Å; Y72-Y212 HydrophobicContact CE2-CD1 3.7Å; Y72-Y212 HydrophobicContact CE2-CE1 4.25Å; Y72-I213 CarbonylContact C-O 3.47Å; Y72-I213 VanDerWaalsContact CA-O 3.3Å; Y72-I213 WeakPolarHBondContact CA-O 3.31Å; Y72-I213 VanDerWaalsContact CB-O 3.24Å; Y72-I213 WeakPolarHBondContact CB-O 3.45Å; Y72-H261 HydrophobicContact CD1-CB 3.58Å; Y72-H261 AromaticContact CD1-CD2 3.88Å; Y72-H261 AromaticContact CD1-CG 3.72Å; Y72-H261 HydrophobicContact CE1-CB 3.67Å
73	L	98.4	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	148.4	173.1	-64.9	138	0	0	0	110	F39 L46 V47 W53 Q54 W55 Y212 I213 L299	F39-L73 HydrophobicContact CZ-CD1 4.29Å; L46-L73 HydrophobicContact CD2-CD1 4.32Å; V47-L73 HydrophobicContact CG2-CD2 3.44Å; V47-L73 VanDerWaalsContact CG2-CD2 3.44Å; W53-L73 HydrophobicContact CE3-CB 3.97Å; W53-L73 HydrophobicContact CZ3-CB 4.36Å; Q54-L73 CarbonylContact O-C 3.58Å; Q54-L73 VanDerWaalsContact O-CA 3.28Å; Q54-L73 WeakPolarHBondContact O-CA 3.46Å; W55-L73 HydrophobicContact CD2-CD2 3.87Å; W55-L73 HydrophobicContact CD2-CG 4.1Å; W55-L73 HydrophobicContact CE3-CD2 4.21Å; W55-L73 HydrophobicContact CE3-CG 3.91Å; W55-L73 HydrophobicContact CG-CD2 4.26Å; W55-L73 HydrophobicContact CH2-CD1 4.17Å; W55-L73 HydrophobicContact CH2-CG 4.16Å; W55-L73 HydrophobicContact CZ2-CD1 4.45Å; W55-L73 HydrophobicContact CZ2-CD2 4.28Å; W55-L73 HydrophobicContact CZ2-CG 4.34Å; W55-L73 HydrophobicContact CZ3-CD1 4.34Å; W55-L73 HydrophobicContact CZ3-CG 3.94Å; L73-Y212 CarbonylContact O-C 3.46Å; L73-Y212 VanDerWaalsContact O-CA 3.27Å; L73-Y212 WeakPolarHBondContact O-CA 3.38Å; L73-I213 HydrophobicContact CB-CB 4.23Å; L73-I213 HydrophobicContact CD1-CB 4.37Å; L73-I213 PolarHBondContact N-O 2.85Å; L73-I213 PolarHBondContact O-N 3.37Å; L73-L299 HydrophobicContact CD1-CD1 3.4Å
74	I	97.6	Very high	95	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.046	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.1	177.8	-169.5	179.2	0	0	0	110.9	W53 Q54 A56 Y72 R76 L211 Y212	W53-I74 CarbonylContact C-O 3.49Å; W53-I74 WeakPolarHBondContact CA-O 3.28Å; Q54-I74 HydrophobicContact CB-CG2 4.47Å; Q54-I74 PolarHBondContact N-O 2.92Å; Q54-I74 PolarHBondContact O-N 2.92Å; A56-I74 HydrophobicContact CB-CG2 4.25Å; Y72-I74 HydrophobicContact CD2-CB 4.44Å; Y72-I74 HydrophobicContact CE2-CB 4.13Å; I74-R76 HydrophobicContact CD1-CG 3.86Å; I74-R76 VanDerWaalsContact CD1-NH2 3.29Å; I74-R76 HydrophobicContact CG1-CG 4.1Å; I74-L211 VanDerWaalsContact CA-O 3.3Å; I74-L211 WeakPolarHBondContact CA-O 3.36Å; I74-L211 WeakPolarHBondContact CG1-O 3.2Å; I74-Y212 HydrophobicContact CB-CD1 4.25Å; I74-Y212 HydrophobicContact CD1-CD1 3.8Å; I74-Y212 HydrophobicContact CD1-CE1 3.22Å; I74-Y212 HydrophobicContact CG1-CD1 3.79Å; I74-Y212 HydrophobicContact CG1-CE1 3.7Å; I74-Y212 HydrophobicContact CG1-CG 4.45Å
75	T	97.4	Very high	94.3	Very high	7 Å²	7	53.8 Å²	53.8	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.8	161.3	-178.1	0	0	0	0	108	T52 W53 V78 D210 L211	T52-T75 PolarHBondContact O-OG1 2.94Å; W53-T75 HydrophobicContact CD2-CG2 3.91Å; W53-T75 HydrophobicContact CE3-CG2 3.92Å; W53-T75 HydrophobicContact CH2-CG2 3.59Å; W53-T75 HydrophobicContact CZ2-CG2 3.55Å; W53-T75 HydrophobicContact CZ3-CG2 3.77Å; T75-V78 HydrophobicContact CG2-CG2 3.67Å; T75-D210 WeakPolarHBondContact O-CA 3.4Å; T75-L211 HydrophobicContact CG2-CB 3.77Å; T75-L211 HydrophobicContact CG2-CD1 4.16Å; T75-L211 HydrophobicContact CG2-CG 4.2Å; T75-L211 PolarHBondContact N-O 3.05Å; T75-L211 PolarHBondContact O-N 3.07Å
76	R	96.3	Very high	93.3	Very high	142 Å²	142	56.1 Å²	56.1	54%	0.536	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	152.3	-169.9	-65.8	-173.7	-177.1	-78.2	2.1	111.9	I74 V78 D210	I74-R76 HydrophobicContact CD1-CG 3.86Å; I74-R76 VanDerWaalsContact CD1-NH2 3.29Å; I74-R76 HydrophobicContact CG1-CG 4.1Å; R76-V78 PolarHBondContact O-N 3.1Å; R76-D210 WeakPolarHBondContact CA-OD1 3.5Å; R76-D210 WeakPolarHBondContact CB-OD1 3.17Å; R76-D210 IonicContact NH1-OD2 2.91Å; R76-D210 PolarHBondContact NH1-OD2 3.44Å
77	S	95.3	Very high	92.1	Very high	74 Å²	74	58.8 Å²	58.8	52%	0.517	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.7	36.5	173	-54	0	0	0	0	113.8	Y209 D210	S77-Y209 PolarHBondContact N-O 3.24Å; S77-D210 PolarHBondContact N-OD1 2.92Å
78	V	96.2	Very high	90	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	123.1	177.1	-177.7	0	0	0	0	109.2	T75 R76 T208 Y209 L211 I313 E314 Y315	T75-V78 HydrophobicContact CG2-CG2 3.67Å; R76-V78 PolarHBondContact O-N 3.1Å; V78-T208 CarbonylContact O-C 3.42Å; V78-T208 VanDerWaalsContact O-CA 3.26Å; V78-T208 WeakPolarHBondContact O-CA 3.29Å; V78-Y209 WeakPolarHBondContact CB-O 3.48Å; V78-Y209 PolarHBondContact N-O 3.1Å; V78-Y209 PolarHBondContact O-N 3.39Å; V78-L211 HydrophobicContact CG2-CD1 4.31Å; V78-L211 HydrophobicContact CG2-CG 4.34Å; V78-I313 HydrophobicContact CB-CG2 4.24Å; V78-I313 HydrophobicContact CG1-CG2 3.56Å; V78-E314 VanDerWaalsContact CG1-O 3.31Å; V78-E314 WeakPolarHBondContact CG1-O 3.35Å; V78-Y315 VanDerWaalsContact CG1-N 3.32Å
79	P	95.1	Very high	87.9	Confident	32 Å²	32	60.2 Å²	60.2	21%	0.208	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	147.1	-174.5	28.5	-32.7	0	0	0	112.7	Y81 E314	P79-Y81 HydrophobicContact CB-CD2 4.41Å; P79-Y81 HydrophobicContact CB-CE1 4.18Å; P79-Y81 HydrophobicContact CB-CE2 3.66Å; P79-Y81 WeakPolarHBondContact CB-OH 3.35Å; P79-Y81 HydrophobicContact CG-CE2 3.94Å; P79-E314 HydrophobicContact CG-CB 4.3Å; P79-E314 PolarHBondContact O-N 3.22Å
80	C	94.5	Very high	85.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	99	172.1	-178.4	0	0	0	0	108.7	K82 R207 Y209 T312 I313	C80-K82 PolarHBondContact SG-O 3.21Å; C80-K82 VanDerWaalsContact SG-O 3.35Å; C80-R207 HydrophobicContact CB-CB 4.18Å; C80-R207 PolarHBondContact N-O 3Å; C80-R207 PolarHBondContact O-N 3.48Å; C80-R207 VanDerWaalsContact O-N 3.17Å; C80-Y209 HydrophobicContact CB-CD2 3.88Å; C80-Y209 HydrophobicContact CB-CE2 3.85Å; C80-T312 PolarHBondContact SG-OG1 2.84Å; C80-I313 HydrophobicContact CB-CG1 4.32Å
81	Y	90.1	Very high	83.5	Confident	115 Å²	115	59.5 Å²	59.5	45%	0.451	30%	0.299	S	S	.	.			trans	-85.4	-23	-172.4	-59.2	-74.1	0	0	0	113.8	P79 L206 E314	P79-Y81 HydrophobicContact CB-CD2 4.41Å; P79-Y81 HydrophobicContact CB-CE1 4.18Å; P79-Y81 HydrophobicContact CB-CE2 3.66Å; P79-Y81 WeakPolarHBondContact CB-OH 3.35Å; P79-Y81 HydrophobicContact CG-CE2 3.94Å; Y81-L206 HydrophobicContact CD1-CD1 3.36Å; Y81-L206 HydrophobicContact CE1-CD1 3.48Å; Y81-L206 VanDerWaalsContact CE1-CD1 3.48Å; Y81-L206 HydrophobicContact CG-CD1 4.26Å; Y81-E314 WeakPolarHBondContact CD2-OE1 3.18Å; Y81-E314 WeakPolarHBondContact CE2-OE2 3.13Å
82	K	89.1	Confident	81.2	Confident	121 Å²	121	67.6 Å²	67.6	53%	0.526	34%	0.337	S	S	.	.	S	Bend	trans	-134.4	156	-172.4	-61.3	178.5	-174.8	173.3	0	110.3	C80 L204 T312	C80-K82 PolarHBondContact SG-O 3.21Å; C80-K82 VanDerWaalsContact SG-O 3.35Å; K82-L204 HydrophobicContact CG-CD1 4.15Å; K82-T312 HydrophobicContact CB-CG2 4.48Å; K82-T312 WeakPolarHBondContact O-CB 3.09Å; K82-T312 WeakPolarHBondContact O-CG2 3.32Å; K82-T312 PolarHBondContact O-OG1 2.96Å
83	R	91.3	Very high	78.8	Confident	21 Å²	21	72.3 Å²	72.3	8%	0.079	36%	0.359	C	S	.	.			trans	-93.6	154.8	173.2	-77.1	52.8	171.7	-177	7.4	108.2	K85 Q86 Q205 E243 D244	R83-K85 PolarHBondContact O-N 2.86Å; R83-Q86 HydrophobicContact CB-CG 4.37Å; R83-Q86 WeakPolarHBondContact O-CB 3.24Å; R83-Q86 PolarHBondContact O-N 2.88Å; R83-Q205 PolarHBondContact NH1-O 3.26Å; R83-Q205 PolarHBondContact NH2-O 3.47Å; R83-E243 HydrophobicContact CG-CB 4.05Å; R83-D244 WeakPolarHBondContact CG-OD1 3.48Å
84	V	85.4	Confident	76.3	Confident	18 Å²	18	77.8 Å²	77.8	11%	0.109	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-59.3	-37.1	-179.1	169.2	0	0	0	0	111.6	Q86 M87 E243 D244 P311 T312	V84-Q86 PolarHBondContact O-N 3.47Å; V84-M87 WeakPolarHBondContact O-CB 3.18Å; V84-M87 PolarHBondContact O-N 2.72Å; V84-E243 PolarHBondContact N-O 2.63Å; V84-E243 VanDerWaalsContact N-O 3.11Å; V84-D244 VanDerWaalsContact CG2-C 3.4Å; V84-D244 VanDerWaalsContact CG2-O 3.25Å; V84-D244 WeakPolarHBondContact CG2-O 3.47Å; V84-P311 HydrophobicContact CG2-CG 3.91Å; V84-T312 HydrophobicContact CG2-CG2 3.93Å
85	K	79.7	Confident	74.1	Confident	161 Å²	161	80.4 Å²	80.4	70%	0.7	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-58.4	-16.5	175.9	-64.1	-179.9	-176.8	168.5	0	114.3	R83	R83-K85 PolarHBondContact O-N 2.86Å
86	Q	72.8	Confident	71.9	Confident	85 Å²	85	83.7 Å²	83.7	40%	0.397	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-99.6	-7.7	-178	-60.5	166.6	-16.9	0	0	112.4	R83 V84 A88 L204	R83-Q86 HydrophobicContact CB-CG 4.37Å; R83-Q86 WeakPolarHBondContact O-CB 3.24Å; R83-Q86 PolarHBondContact O-N 2.88Å; V84-Q86 PolarHBondContact O-N 3.47Å; Q86-A88 PolarHBondContact O-N 2.91Å; Q86-L204 VanDerWaalsContact OE1-CD1 3.29Å
87	M	71.2	Confident	69.7	Low	67 Å²	67	80.4 Å²	80.4	33%	0.33	41%	0.406	S	S	.	.			trans	-73.1	88.9	166.4	-68.2	179.7	147.6	0	0	106.8	V84 D89 P311 T312	V84-M87 WeakPolarHBondContact O-CB 3.18Å; V84-M87 PolarHBondContact O-N 2.72Å; M87-D89 PolarHBondContact O-N 3.42Å; M87-P311 HydrophobicContact CE-CB 4.09Å; M87-P311 HydrophobicContact SD-CB 3.88Å; M87-P311 HydrophobicContact SD-CG 3.78Å; M87-T312 HydrophobicContact CE-CG2 3.48Å; M87-T312 VanDerWaalsContact CE-CG2 3.48Å; M87-T312 HydrophobicContact CG-CG2 4.16Å; M87-T312 HydrophobicContact SD-CG2 3.55Å; M87-T312 VanDerWaalsContact SD-CG2 3.55Å
88	A	53.8	Low	67.6	Low	93 Å²	93	79.5 Å²	79.5	77%	0.769	40%	0.395	S	S	*	.	S	Bend	trans	-68.6	-11.5	179.9	0	0	0	0	0	112.9	Q86	Q86-A88 PolarHBondContact O-N 2.91Å
89	D	52	Low	65.5	Low	145 Å²	145	85.7 Å²	85.7	78%	0.775	42%	0.423	S	S	*	.			trans	-135.7	85.3	175	-59.1	-52.9	0	0	0	107.7	M87 N91	M87-D89 PolarHBondContact O-N 3.42Å; D89-N91 PolarHBondContact O-N 3.01Å
90	H	50.3	Low	63.3	Low	72 Å²	72	92.4 Å²	92.4	33%	0.333	45%	0.452	S	S	.	.			trans	-69.6	112.8	155.7	-137.9	-81.9	0	0	0	104.3	E92 E95	H90-E92 VanDerWaalsContact C-N 3.33Å; H90-E92 PolarHBondContact O-N 2.91Å; H90-E95 IonicContact CE1-OE1 3.77Å; H90-E95 PolarHBondContact CE1-OE1 2.8Å; H90-E95 VanDerWaalsContact CE1-OE1 3.32Å; H90-E95 IonicContact ND1-OE1 3.35Å; H90-E95 PolarHBondContact ND1-OE1 2.89Å
91	N	50.5	Low	61.1	Low	70 Å²	70	101.4 Å²	101.4	37%	0.374	49%	0.494	S	S	.	.			trans	-67.6	95.2	-174.2	-158.6	34	0	0	0	107.7	D89 E93 F94	D89-N91 PolarHBondContact O-N 3.01Å; N91-E93 WeakPolarHBondContact ND2-CB 3.4Å; N91-E93 PolarHBondContact ND2-OE2 3.28Å; N91-E93 VanDerWaalsContact ND2-OE2 3.11Å; N91-E93 PolarHBondContact O-N 3.44Å; N91-F94 HydrophobicContact CB-CD2 3.86Å; N91-F94 HydrophobicContact CB-CE2 4.05Å; N91-F94 VanDerWaalsContact ND2-CE2 3.34Å; N91-F94 WeakPolarHBondContact ND2-CE2 3.25Å; N91-F94 PolarHBondContact O-N 3.46Å
92	E	49.3	Very low	59	Low	170 Å²	170	102 Å²	102	79%	0.794	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-51.8	-20.6	176.4	-68.1	-178.4	178	0	0	111.6	H90 F94 E95	H90-E92 VanDerWaalsContact C-N 3.33Å; H90-E92 PolarHBondContact O-N 2.91Å; E92-F94 PolarHBondContact O-N 3.23Å; E92-E95 PolarHBondContact O-N 3.46Å; E92-E95 VanDerWaalsContact O-N 3.15Å
93	E	48	Very low	57.2	Low	110 Å²	110	100.7 Å²	100.7	51%	0.514	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-49.6	-42.4	169.4	-104	-164.8	134.7	0	0	112.3	N91 E95 Y113	N91-E93 WeakPolarHBondContact ND2-CB 3.4Å; N91-E93 PolarHBondContact ND2-OE2 3.28Å; N91-E93 VanDerWaalsContact ND2-OE2 3.11Å; N91-E93 PolarHBondContact O-N 3.44Å; E93-E95 PolarHBondContact O-N 3.07Å; E93-E95 VanDerWaalsContact O-N 3.12Å; E93-Y113 WeakPolarHBondContact CA-OH 3.41Å; E93-Y113 WeakPolarHBondContact CB-OH 3.37Å; E93-Y113 WeakPolarHBondContact CG-OH 3.48Å; E93-Y113 WeakPolarHBondContact O-CE2 3.3Å; E93-Y113 PolarHBondContact O-OH 3Å
94	F	46.7	Very low	55.4	Low	116 Å²	116	106.1 Å²	106.1	51%	0.509	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-79	9.8	-176.1	-63.8	-67.4	0	0	0	114.7	N91 E92 T110 Y113	N91-F94 HydrophobicContact CB-CD2 3.86Å; N91-F94 HydrophobicContact CB-CE2 4.05Å; N91-F94 VanDerWaalsContact ND2-CE2 3.34Å; N91-F94 WeakPolarHBondContact ND2-CE2 3.25Å; N91-F94 PolarHBondContact O-N 3.46Å; E92-F94 PolarHBondContact O-N 3.23Å; F94-T110 WeakPolarHBondContact O-CA 3.24Å; F94-Y113 HydrophobicContact CD1-CD2 4.27Å; F94-Y113 AromaticContact CD1-CE2 3.97Å; F94-Y113 HydrophobicContact CD1-CE2 3.97Å; F94-Y113 HydrophobicContact CE1-CE2 4.42Å
95	E	50	Low	53.6	Low	64 Å²	64	107.1 Å²	107.1	30%	0.299	57%	0.57	S	S	.	*			trans	-130.5	105.6	-168.2	-56.6	-162.1	-170.3	0	0	112.1	H90 E92 E93 V108	H90-E95 IonicContact CE1-OE1 3.77Å; H90-E95 PolarHBondContact CE1-OE1 2.8Å; H90-E95 VanDerWaalsContact CE1-OE1 3.32Å; H90-E95 IonicContact ND1-OE1 3.35Å; H90-E95 PolarHBondContact ND1-OE1 2.89Å; E92-E95 PolarHBondContact O-N 3.46Å; E92-E95 VanDerWaalsContact O-N 3.15Å; E93-E95 PolarHBondContact O-N 3.07Å; E93-E95 VanDerWaalsContact O-N 3.12Å; E95-V108 HydrophobicContact CB-CG1 3.31Å; E95-V108 HydrophobicContact CG-CG1 3.51Å
96	E	51.5	Low	51.9	Low	76 Å²	76	100.3 Å²	100.3	36%	0.355	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	118.6	161.5	-174.2	170.9	-128.1	0	0	109.7	L98 D109 H112	E96-L98 PolarHBondContact O-N 2.96Å; E96-L98 VanDerWaalsContact O-N 3.15Å; E96-D109 HydrophobicContact CB-CB 4.41Å; E96-D109 PolarHBondContact N-O 2.91Å; E96-D109 VanDerWaalsContact N-O 3.09Å; E96-D109 WeakPolarHBondContact O-CA 3.16Å; E96-D109 VanDerWaalsContact O-CB 3.3Å; E96-D109 WeakPolarHBondContact O-CB 3.37Å; E96-D109 PolarHBondContact O-N 2.99Å; E96-H112 HydrophobicContact CB-CB 4.06Å; E96-H112 IonicContact OE1-CD2 3.51Å; E96-H112 IonicContact OE1-CE1 2.76Å; E96-H112 PolarHBondContact OE1-CE1 2.77Å; E96-H112 VanDerWaalsContact OE1-CE1 3.27Å; E96-H112 IonicContact OE1-NE2 3.32Å; E96-H112 PolarHBondContact OE1-NE2 3.44Å; E96-H112 IonicContact OE2-CD2 2.83Å; E96-H112 PolarHBondContact OE2-CD2 2.75Å; E96-H112 IonicContact OE2-CE1 3.68Å; E96-H112 PolarHBondContact OE2-CE1 3.31Å; E96-H112 IonicContact OE2-CG 2.96Å; E96-H112 IonicContact OE2-ND1 3.27Å; E96-H112 PolarHBondContact OE2-ND1 2.92Å; E96-H112 IonicContact OE2-NE2 3.41Å; E96-H112 PolarHBondContact OE2-NE2 3.39Å; E96-H112 VanDerWaalsContact OE2-NE2 3.07Å
97	V	50.1	Low	51	Low	73 Å²	73	99 Å²	99	44%	0.442	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	114	178.6	-179.7	0	0	0	0	109.3	E99 V108	V97-E99 PolarHBondContact O-N 3.04Å; V97-V108 HydrophobicContact CG2-CG2 4.45Å
98	L	51.1	Low	50.1	Low	54 Å²	54	96.8 Å²	96.8	28%	0.283	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.7	170.6	-62.4	173.1	0	0	0	108.8	E96 W107 D109 K281	E96-L98 PolarHBondContact O-N 2.96Å; E96-L98 VanDerWaalsContact O-N 3.15Å; L98-W107 PolarHBondContact N-O 3.03Å; L98-D109 HydrophobicContact CD1-CB 3.7Å; L98-D109 HydrophobicContact CD2-CB 4.05Å; L98-D109 HydrophobicContact CG-CB 3.65Å; L98-K281 HydrophobicContact CD1-CD 3.99Å
99	E	54	Low	50.2	Low	136 Å²	136	94.2 Å²	94.2	64%	0.636	50%	0.501	S	S	*	.			trans	68	106.2	163.9	-60.5	165.6	156.1	0	0	114.9	V97 E101 K281	V97-E99 PolarHBondContact O-N 3.04Å; E99-E101 VanDerWaalsContact C-N 3.28Å; E99-K281 IonicContact OE2-NZ 3.18Å; E99-K281 PolarHBondContact OE2-NZ 3.22Å
100	E	48.8	Very low	50.2	Low	174 Å²	174	88.4 Å²	88.4	81%	0.813	47%	0.47	S	S	*	.			trans	-83	1.9	169.6	-64.5	-172.8	163.4	0	0	113.4	D102	E100-D102 VanDerWaalsContact C-N 3.31Å; E100-D102 PolarHBondContact O-N 3.43Å
101	E	47.8	Very low	50.1	Low	188 Å²	188	86.5 Å²	86.5	88%	0.879	46%	0.462	S	S	*	.	S	Bend	trans	-74.7	-21.5	-164.9	-138.4	174.4	-163.9	0	0	113.7	E99	E99-E101 VanDerWaalsContact C-N 3.28Å
102	D	46.2	Very low	50.2	Low	128 Å²	128	84.9 Å²	84.9	68%	0.684	45%	0.452	S	S	*	.	S	Bend	trans	-98.7	116.1	165.8	-67.9	-32	0	0	0	107.8	E100 D104	E100-D102 VanDerWaalsContact C-N 3.31Å; E100-D102 PolarHBondContact O-N 3.43Å; D102-D104 PolarHBondContact O-N 2.91Å
103	G	51.4	Low	49.8	Very low	94 Å²	94	80.9 Å²	80.9	97%	0.969	43%	0.43	S	S	*	.	S	Bend	trans	-63	31.8	-177.7	0	0	0	0	0	116.7
104	D	54	Low	49.7	Very low	134 Å²	134	77.4 Å²	77.4	72%	0.717	42%	0.42	S	S	*	.	S	Bend	trans	-114.7	23	-178.1	-161.6	30	0	0	0	112.1	D102	D102-D104 PolarHBondContact O-N 2.91Å
105	G	46.6	Very low	49.6	Very low	39 Å²	39	76.8 Å²	76.8	40%	0.402	43%	0.426	S	S	.	.			trans	63.8	99.8	173.8	0	0	0	0	0	113.4	K252	G105-K252 PolarHBondContact O-NZ 3.44Å
106	G	44.8	Very low	49.3	Very low	18 Å²	18	80.2 Å²	80.2	19%	0.186	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-48.8	153.3	-176.3	0	0	0	0	0	115.4
107	W	53.6	Low	48.6	Very low	59 Å²	59	82.4 Å²	82.4	22%	0.223	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.7	176.1	-81.9	63.3	0	0	0	109.6	L98 T253 R274 V278 F305	L98-W107 PolarHBondContact N-O 3.03Å; W107-T253 HydrophobicContact CH2-CG2 3.24Å; W107-T253 HydrophobicContact CZ2-CG2 3.46Å; W107-T253 VanDerWaalsContact CZ2-CG2 3.46Å; W107-T253 HydrophobicContact CZ3-CG2 4.17Å; W107-R274 HydrophobicContact CD2-CB 4.37Å; W107-R274 HydrophobicContact CE3-CB 4.4Å; W107-R274 HydrophobicContact CH2-CB 3.74Å; W107-R274 HydrophobicContact CH2-CG 4.15Å; W107-R274 HydrophobicContact CZ2-CB 3.73Å; W107-R274 HydrophobicContact CZ2-CG 3.61Å; W107-R274 HydrophobicContact CZ3-CB 4.05Å; W107-V278 HydrophobicContact CE3-CG2 4.14Å; W107-V278 HydrophobicContact CZ3-CG2 4.49Å; W107-F305 HydrophobicContact CE3-CE2 4Å; W107-F305 AromaticContact CE3-CZ 3.92Å; W107-F305 HydrophobicContact CE3-CZ 3.92Å; W107-F305 HydrophobicContact CH2-CZ 4.26Å; W107-F305 HydrophobicContact CZ3-CE1 4.17Å; W107-F305 AromaticContact CZ3-CE2 3.83Å; W107-F305 HydrophobicContact CZ3-CE2 3.83Å; W107-F305 AromaticContact CZ3-CZ 3.28Å; W107-F305 HydrophobicContact CZ3-CZ 3.28Å
108	V	51.9	Low	48	Very low	20 Å²	20	86.8 Å²	86.8	12%	0.121	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.9	-177	177.2	0	0	0	0	109.8	E95 V97 T110	E95-V108 HydrophobicContact CB-CG1 3.31Å; E95-V108 HydrophobicContact CG-CG1 3.51Å; V97-V108 HydrophobicContact CG2-CG2 4.45Å; V108-T110 HydrophobicContact CG1-CG2 4.42Å; V108-T110 PolarHBondContact O-N 3.38Å
109	D	55.7	Low	47.4	Very low	39 Å²	39	89.4 Å²	89.4	21%	0.209	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	113.2	163.6	-171.1	-1.2	0	0	0	109.9	E96 L98 H111	E96-D109 HydrophobicContact CB-CB 4.41Å; E96-D109 PolarHBondContact N-O 2.91Å; E96-D109 VanDerWaalsContact N-O 3.09Å; E96-D109 WeakPolarHBondContact O-CA 3.16Å; E96-D109 VanDerWaalsContact O-CB 3.3Å; E96-D109 WeakPolarHBondContact O-CB 3.37Å; E96-D109 PolarHBondContact O-N 2.99Å; L98-D109 HydrophobicContact CD1-CB 3.7Å; L98-D109 HydrophobicContact CD2-CB 4.05Å; L98-D109 HydrophobicContact CG-CB 3.65Å; D109-H111 PolarHBondContact O-N 3.42Å; D109-H111 WeakPolarHBondContact OD1-CA 3.46Å; D109-H111 VanDerWaalsContact OD1-CB 3.31Å; D109-H111 WeakPolarHBondContact OD1-CB 3.27Å; D109-H111 PolarHBondContact OD1-N 3.3Å
110	T	51.8	Low	46.6	Very low	22 Å²	22	88.5 Å²	88.5	14%	0.135	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	14.6	174.8	57.6	0	0	0	0	113.3	F94 V108 K304 A308	F94-T110 WeakPolarHBondContact O-CA 3.24Å; V108-T110 HydrophobicContact CG1-CG2 4.42Å; V108-T110 PolarHBondContact O-N 3.38Å; T110-K304 PolarHBondContact O-NZ 3.11Å; T110-A308 HydrophobicContact CG2-CB 4.05Å
111	H	49.1	Very low	46.2	Very low	32 Å²	32	88.1 Å²	88.1	15%	0.148	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	13.4	-173.9	-79.9	-91.5	0	0	0	115.8	D109 Y113 A114 L282 K304	D109-H111 PolarHBondContact O-N 3.42Å; D109-H111 WeakPolarHBondContact OD1-CA 3.46Å; D109-H111 VanDerWaalsContact OD1-CB 3.31Å; D109-H111 WeakPolarHBondContact OD1-CB 3.27Å; D109-H111 PolarHBondContact OD1-N 3.3Å; H111-Y113 PolarHBondContact O-N 2.86Å; H111-A114 WeakPolarHBondContact O-CB 3.41Å; H111-A114 PolarHBondContact O-N 2.99Å; H111-L282 HydrophobicContact CB-CD1 3.82Å; H111-L282 VanDerWaalsContact CG-CD1 3.41Å; H111-K304 PolarHBondContact CE1-NZ 3.36Å; H111-K304 PolarHBondContact ND1-NZ 3.48Å; H111-K304 PolarHBondContact NE2-NZ 2.97Å
112	H	51.2	Low	45.9	Very low	37 Å²	37	85.3 Å²	85.3	17%	0.171	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-47.6	-33.6	176.1	-170.8	24.4	0	0	0	114.3	E96 A114 T115 K116	E96-H112 HydrophobicContact CB-CB 4.06Å; E96-H112 IonicContact OE1-CD2 3.51Å; E96-H112 IonicContact OE1-CE1 2.76Å; E96-H112 PolarHBondContact OE1-CE1 2.77Å; E96-H112 VanDerWaalsContact OE1-CE1 3.27Å; E96-H112 IonicContact OE1-NE2 3.32Å; E96-H112 PolarHBondContact OE1-NE2 3.44Å; E96-H112 IonicContact OE2-CD2 2.83Å; E96-H112 PolarHBondContact OE2-CD2 2.75Å; E96-H112 IonicContact OE2-CE1 3.68Å; E96-H112 PolarHBondContact OE2-CE1 3.31Å; E96-H112 IonicContact OE2-CG 2.96Å; E96-H112 IonicContact OE2-ND1 3.27Å; E96-H112 PolarHBondContact OE2-ND1 2.92Å; E96-H112 IonicContact OE2-NE2 3.41Å; E96-H112 PolarHBondContact OE2-NE2 3.39Å; E96-H112 VanDerWaalsContact OE2-NE2 3.07Å; H112-A114 VanDerWaalsContact C-N 3.27Å; H112-A114 PolarHBondContact O-N 3.5Å; H112-T115 PolarHBondContact O-N 3.15Å; H112-K116 WeakPolarHBondContact CE1-CE 3.28Å; H112-K116 PolarHBondContact CE1-NZ 3.06Å; H112-K116 PolarHBondContact NE2-NZ 2.82Å
113	Y	42.1	Very low	45.5	Very low	85 Å²	85	87.6 Å²	87.6	33%	0.333	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-66.6	-20.6	178.7	-63.6	-74.2	0	0	0	115.5	E93 F94 H111 T115	E93-Y113 WeakPolarHBondContact CA-OH 3.41Å; E93-Y113 WeakPolarHBondContact CB-OH 3.37Å; E93-Y113 WeakPolarHBondContact CG-OH 3.48Å; E93-Y113 WeakPolarHBondContact O-CE2 3.3Å; E93-Y113 PolarHBondContact O-OH 3Å; F94-Y113 HydrophobicContact CD1-CD2 4.27Å; F94-Y113 AromaticContact CD1-CE2 3.97Å; F94-Y113 HydrophobicContact CD1-CE2 3.97Å; F94-Y113 HydrophobicContact CE1-CE2 4.42Å; H111-Y113 PolarHBondContact O-N 2.86Å; Y113-T115 PolarHBondContact O-N 3.23Å
114	A	45.9	Very low	44.7	Very low	38 Å²	38	90.8 Å²	90.8	31%	0.314	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-65.4	-21.7	179.3	0	0	0	0	0	112	H111 H112 L323	H111-A114 WeakPolarHBondContact O-CB 3.41Å; H111-A114 PolarHBondContact O-N 2.99Å; H112-A114 VanDerWaalsContact C-N 3.27Å; H112-A114 PolarHBondContact O-N 3.5Å; A114-L323 HydrophobicContact CB-CD1 4.02Å
115	T	45.4	Very low	44	Very low	103 Å²	103	88.5 Å²	88.5	63%	0.632	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-108.9	-4.4	-172.2	-35.7	0	0	0	0	113.6	H112 Y113	H112-T115 PolarHBondContact O-N 3.15Å; Y113-T115 PolarHBondContact O-N 3.23Å
116	K	42.5	Very low	43.4	Very low	136 Å²	136	94.8 Å²	94.8	59%	0.591	51%	0.509	S	S	*	.			trans	-112.6	8.6	-169.8	-91.7	-178.5	175.3	173.2	0	117.4	H112 D118	H112-K116 WeakPolarHBondContact CE1-CE 3.28Å; H112-K116 PolarHBondContact CE1-NZ 3.06Å; H112-K116 PolarHBondContact NE2-NZ 2.82Å; K116-D118 PolarHBondContact O-N 3.39Å; K116-D118 VanDerWaalsContact O-N 3.09Å
117	N	37.7	Very low	43	Very low	121 Å²	121	102.2 Å²	102.2	65%	0.647	54%	0.539	S	S	*	.			trans	-85.8	85.2	-179.2	-94.2	6.7	0	0	0	113.8
118	D	37.8	Very low	42	Very low	165 Å²	165	108.2 Å²	108.2	88%	0.882	57%	0.572	S	S	*	*			trans	-106.7	18.6	157.2	-108.1	-16.9	0	0	0	111.5	K116	K116-D118 PolarHBondContact O-N 3.39Å; K116-D118 VanDerWaalsContact O-N 3.09Å
119	N	36.6	Very low	41.2	Very low	110 Å²	110	113.2 Å²	113.2	59%	0.588	60%	0.602	S	S	*	*			trans	-137.3	124.2	-175.4	-123.3	19.5	0	0	0	114	E121	N119-E121 VanDerWaalsContact C-N 3.34Å; N119-E121 PolarHBondContact O-N 2.82Å
120	P	37.9	Very low	40.2	Very low	117 Å²	117	117 Å²	117	76%	0.76	63%	0.626	S	S	*	*			trans	-89.2	33.7	-173.5	37.2	-36.5	0	0	0	114.5
121	E	39.7	Very low	39.4	Very low	165 Å²	165	123.6 Å²	123.6	77%	0.771	66%	0.66	S	S	*	*			trans	-107.1	1.8	-172.4	-84.6	-173.8	148.2	0	0	115.8	N119	N119-E121 VanDerWaalsContact C-N 3.34Å; N119-E121 PolarHBondContact O-N 2.82Å
122	I	43.2	Very low	38.9	Very low	129 Å²	129	130.9 Å²	130.9	66%	0.662	69%	0.691	S	S	*	*			trans	-107.3	48.7	-178.9	-42.9	177.7	0	0	0	111
123	E	37.6	Very low	38.2	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	72%	0.723	S	S	*	*	S	Bend	trans	-108.4	-2	172	-72.6	-164.5	157.9	0	0	114
124	N	34.5	Very low	37.9	Very low	162 Å²	162	138.1 Å²	138.1	87%	0.866	75%	0.746	S	S	*	*			trans	-135.6	37.6	-168.8	-79.5	-27.2	0	0	0	116.4
125	A	38.6	Very low	37.8	Very low	86 Å²	86	144.3 Å²	144.3	71%	0.711	77%	0.774	S	S	*	*	S	Bend	trans	-99.6	0.1	178	0	0	0	0	0	115.5
126	N	34.3	Very low	37.3	Very low	171 Å²	171	144.8 Å²	144.8	91%	0.914	78%	0.776	S	S	*	*			trans	-119.9	60.7	-178.8	-69.4	-17.2	0	0	0	112.1
127	E	35.7	Very low	37.3	Very low	173 Å²	173	145.8 Å²	145.8	81%	0.808	79%	0.787	S	S	*	*			trans	-135.5	111.4	158.9	-161.2	175.4	-175.1	0	0	108.8	T129	E127-T129 PolarHBondContact O-N 2.89Å; E127-T129 PolarHBondContact O-OG1 2.82Å
128	M	33.3	Very low	37.1	Very low	186 Å²	186	146.9 Å²	146.9	92%	0.916	79%	0.793	S	S	*	*			trans	-63.4	94.2	178.1	-166.3	178.6	-64.1	0	0	108.7	V130	M128-V130 PolarHBondContact O-N 2.86Å; M128-V130 VanDerWaalsContact O-N 3.15Å
129	T	34.3	Very low	37.1	Very low	124 Å²	124	146.2 Å²	146.2	76%	0.761	79%	0.785	S	S	*	*			trans	-72.1	107.9	178.9	-25.2	0	0	0	0	108.9	E127 L131	E127-T129 PolarHBondContact O-N 2.89Å; E127-T129 PolarHBondContact O-OG1 2.82Å; T129-L131 PolarHBondContact O-N 3.44Å
130	V	36.3	Very low	37.2	Very low	119 Å²	119	147.8 Å²	147.8	72%	0.721	79%	0.789	S	S	*	*			trans	-65.4	115.7	168.1	175.4	0	0	0	0	108.1	M128 K132	M128-V130 PolarHBondContact O-N 2.86Å; M128-V130 VanDerWaalsContact O-N 3.15Å; V130-K132 PolarHBondContact O-N 3.18Å
131	L	34	Very low	37.4	Very low	161 Å²	161	150 Å²	150	84%	0.843	79%	0.789	S	S	*	*			trans	-61.1	103.3	174.7	-61.2	170.5	0	0	0	109.9	T129	T129-L131 PolarHBondContact O-N 3.44Å
132	K	37.7	Very low	37.4	Very low	185 Å²	185	146.2 Å²	146.2	80%	0.804	78%	0.781	S	S	*	*			trans	-98	110.3	157.2	-78.4	-174.8	177.4	175.9	0	108.3	V130 D134	V130-K132 PolarHBondContact O-N 3.18Å; K132-D134 PolarHBondContact O-N 3.34Å
133	S	37.9	Very low	37.2	Very low	118 Å²	118	147 Å²	147	83%	0.825	79%	0.786	S	S	*	*			trans	-71.5	108.4	171.8	-58.5	0	0	0	0	109.9
134	D	34.9	Very low	37.1	Very low	156 Å²	156	145.1 Å²	145.1	83%	0.834	79%	0.787	S	S	*	*			trans	-97.5	109.2	164.4	-79.9	-34.7	0	0	0	109.4	K132	K132-D134 PolarHBondContact O-N 3.34Å
135	N	43.9	Very low	37.4	Very low	167 Å²	167	142.5 Å²	142.5	89%	0.893	79%	0.788	S	S	*	*			trans	-96.4	119.3	165.6	-150.8	7.3	0	0	0	108.9
136	V	36.2	Very low	37.8	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.685	79%	0.79	S	S	*	*			trans	-57.2	140.5	-179	176.7	0	0	0	0	111.4
137	L	40.8	Very low	38.2	Very low	157 Å²	157	142.5 Å²	142.5	82%	0.822	78%	0.784	S	S	*	*				179.5	113	127.9	-91.1	165	0	0	0	112.5
138	N	34.5	Very low	38.6	Very low	144 Å²	144	139 Å²	139	77%	0.77	78%	0.778	S	S	*	*			trans	21.5	128.5	145.4	-81	-16.2	0	0	0	119.7
139	H	36.9	Very low	39.2	Very low	151 Å²	151	137.5 Å²	137.5	70%	0.699	77%	0.773	S	S	*	*				179.3	119.9	89.2	-158.6	50.9	0	0	0	113.1
140	Q	38.5	Very low	40.2	Very low	144 Å²	144	140.2 Å²	140.2	67%	0.673	78%	0.778	S	S	*	*			trans	24.7	132.8	143.3	-71.5	176.3	12.6	0	0	123.4
141	Q	42.8	Very low	41	Very low	162 Å²	162	143.1 Å²	143.1	76%	0.757	78%	0.783	S	S	*	*			trans	109.2	100.1	133.8	-86	174.4	35.3	0	0	120.3
142	S	39.8	Very low	42.2	Very low	87 Å²	87	143.6 Å²	143.6	61%	0.608	79%	0.787	S	S	*	*				78.1	127.2	119.9	69.8	0	0	0	0	122.1
143	N	38.1	Very low	43.3	Very low	146 Å²	146	143.5 Å²	143.5	78%	0.781	79%	0.789	S	S	*	*			trans	70.3	133.8	149	-64.6	-4.8	0	0	0	115.3
144	T	37.2	Very low	44.7	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	78%	0.78	S	S	*	*			cis	-171	152.8	29.2	-2.4	0	0	0	0	107.3
145	A	39.6	Very low	46.2	Very low	107 Å²	107	143.1 Å²	143.1	88%	0.884	78%	0.775	S	S	*	*			trans	-59.2	142.3	-177.6	0	0	0	0	0	114.7
146	S	47.5	Very low	47.4	Very low	108 Å²	108	141.6 Å²	141.6	76%	0.755	76%	0.762	S	S	*	*			trans	-152.2	121.1	148.1	-176.3	0	0	0	0	108.4
147	D	42.7	Very low	48.9	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	75%	0.75	S	S	*	*			trans	-63.3	124.4	173.1	-153.6	10.4	0	0	0	109.1
148	C	43.6	Very low	50	Low	100 Å²	100	137.2 Å²	137.2	68%	0.676	74%	0.737	S	S	*	*			trans	-143.5	98.5	170.2	-73	0	0	0	0	108.2	E150	C148-E150 PolarHBondContact O-N 3.47Å
149	D	46.7	Very low	51.4	Low	153 Å²	153	135.5 Å²	135.5	82%	0.818	73%	0.727	S	S	*	*			trans	-50.4	113	157.2	-67.8	-54.1	0	0	0	109
150	E	55.6	Low	53	Low	182 Å²	182	136.2 Å²	136.2	85%	0.85	73%	0.731	S	S	*	*			trans	-116.8	111.7	163.9	-82.3	-175.7	175.8	0	0	108.3	C148	C148-E150 PolarHBondContact O-N 3.47Å
151	E	51.8	Low	54.4	Low	180 Å²	180	132.5 Å²	132.5	84%	0.841	72%	0.721	S	S	*	*			trans	-58.9	135.8	-178.4	-61	171.8	159.2	0	0	110.4	E153	E151-E153 PolarHBondContact O-N 2.88Å
152	D	59.7	Low	55.3	Low	171 Å²	171	127.1 Å²	127.1	91%	0.914	71%	0.709	S	S	*	*			trans	-56.3	105.7	175.7	-66.7	-53.8	0	0	0	110.2	D154	D152-D154 PolarHBondContact O-N 3.21Å
153	E	60.6	Low	56.3	Low	182 Å²	182	128.3 Å²	128.3	85%	0.85	71%	0.706	S	S	*	*			trans	-64.5	126.5	177.2	-69.7	-171.1	165.7	0	0	110.8	E151	E151-E153 PolarHBondContact O-N 2.88Å
154	D	66.9	Low	57.3	Low	118 Å²	118	127.1 Å²	127.1	63%	0.631	70%	0.699	S	S	*	*			trans	-59.7	134.6	-177.5	-157.9	-17.5	0	0	0	111.5	D152 E156 A157	D152-D154 PolarHBondContact O-N 3.21Å; D154-E156 PolarHBondContact O-N 3.04Å; D154-A157 WeakPolarHBondContact O-CB 3.46Å; D154-A157 PolarHBondContact O-N 2.92Å
155	M	67.2	Low	58.3	Low	148 Å²	148	127.6 Å²	127.6	73%	0.729	70%	0.697	S	S	*	*	H	α-helix	trans	-56.1	-21.9	-176.5	-170.5	179.5	-66.3	0	0	112.7	L159	M155-L159 PolarHBondContact O-N 3.41Å
156	E	67.8	Low	59.2	Low	136 Å²	136	130.3 Å²	130.3	64%	0.636	69%	0.691	S	S	*	*	H	α-helix	trans	-70.8	-31.7	176	-163.2	156	-156.7	0	0	113.1	D154 Q160	D154-E156 PolarHBondContact O-N 3.04Å; E156-Q160 PolarHBondContact O-N 3.37Å
157	A	68.7	Low	59.6	Low	52 Å²	52	131 Å²	131	43%	0.43	70%	0.695	S	S	.	*	H	α-helix	trans	-69.6	-34.9	175.6	0	0	0	0	0	112.1	D154 Q160 S161	D154-A157 WeakPolarHBondContact O-CB 3.46Å; D154-A157 PolarHBondContact O-N 2.92Å; A157-Q160 PolarHBondContact O-N 3.03Å; A157-S161 PolarHBondContact O-N 3.14Å; A157-S161 VanDerWaalsContact O-N 3.08Å
158	F	64.2	Low	60.4	Low	125 Å²	125	128.7 Å²	128.7	55%	0.548	68%	0.683	S	S	.	*	H	α-helix	trans	-66.1	-42.7	176.5	-174.5	-100.8	0	0	0	112	Q160 S161 L164	F158-Q160 VanDerWaalsContact C-N 3.29Å; F158-Q160 PolarHBondContact O-N 3.01Å; F158-S161 PolarHBondContact O-N 2.82Å; F158-S161 PolarHBondContact O-OG 2.86Å; F158-L164 HydrophobicContact CE1-CD1 4.15Å
159	L	64.5	Low	61.4	Low	108 Å²	108	130.5 Å²	130.5	57%	0.565	69%	0.693	S	S	*	*	H	α-helix	trans	-64.1	-33.3	174.6	-80.8	157.8	0	0	0	112.5	M155 L164	M155-L159 PolarHBondContact O-N 3.41Å; L159-L164 HydrophobicContact CD2-CD2 4.46Å
160	Q	69.2	Low	62.1	Low	166 Å²	166	126.6 Å²	126.6	78%	0.776	68%	0.682	S	S	*	*	H	α-helix	trans	-79.7	-18.2	179.6	-128.9	162.1	25.6	0	0	113.9	E156 A157 F158 G162	E156-Q160 PolarHBondContact O-N 3.37Å; A157-Q160 PolarHBondContact O-N 3.03Å; F158-Q160 VanDerWaalsContact C-N 3.29Å; F158-Q160 PolarHBondContact O-N 3.01Å; Q160-G162 PolarHBondContact O-N 2.94Å
161	S	67.4	Low	62.2	Low	67 Å²	67	121.5 Å²	121.5	47%	0.469	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.6	-8.7	178.3	76.1	0	0	0	0	114.3	A157 F158 M163	A157-S161 PolarHBondContact O-N 3.14Å; A157-S161 VanDerWaalsContact O-N 3.08Å; F158-S161 PolarHBondContact O-N 2.82Å; F158-S161 PolarHBondContact O-OG 2.86Å; S161-M163 PolarHBondContact O-N 3.41Å
162	G	62.1	Low	62.4	Low	48 Å²	48	119.7 Å²	119.7	50%	0.495	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	69.9	11.8	178.2	0	0	0	0	0	114.2	Q160 L164	Q160-G162 PolarHBondContact O-N 2.94Å; G162-L164 PolarHBondContact O-N 2.97Å
163	M	61.8	Low	62	Low	112 Å²	112	117 Å²	117	55%	0.552	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-76.4	-4.8	179.8	-150.7	78.6	77.7	0	0	113.5	S161 D165	S161-M163 PolarHBondContact O-N 3.41Å; M163-D165 VanDerWaalsContact C-N 3.3Å
164	L	57.9	Low	61.3	Low	122 Å²	122	112.7 Å²	112.7	64%	0.639	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-80.9	-8.2	178.2	-132	88.2	0	0	0	113.6	F158 L159 G162	F158-L164 HydrophobicContact CE1-CD1 4.15Å; L159-L164 HydrophobicContact CD2-CD2 4.46Å; G162-L164 PolarHBondContact O-N 2.97Å
165	D	57.7	Low	60.2	Low	145 Å²	145	117.2 Å²	117.2	78%	0.775	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-94.1	8.5	-175.8	-90.8	-13.3	0	0	0	113.9	M163 C167	M163-D165 VanDerWaalsContact C-N 3.3Å; D165-C167 PolarHBondContact O-N 2.78Å
166	E	60.1	Low	58.8	Low	163 Å²	163	116 Å²	116	76%	0.762	67%	0.671	S	S	*	*			trans	-70.1	95.4	171.3	-72.4	-162.2	157.6	0	0	110.3	D168	E166-D168 PolarHBondContact O-N 3.34Å
167	C	55.6	Low	57.8	Low	123 Å²	123	117.1 Å²	117.1	83%	0.831	67%	0.674	S	S	*	*			trans	-55.9	107.8	171.7	-75.9	0	0	0	0	110.3	D165 P169	D165-C167 PolarHBondContact O-N 2.78Å; C167-P169 WeakPolarHBondContact O-CD 3.21Å
168	D	59.7	Low	56.4	Low	102 Å²	102	120.6 Å²	120.6	55%	0.545	69%	0.689	S	S	.	*			trans	-55.8	122.5	171.3	177.9	4.4	0	0	0	110.4	E166 A170 A171	E166-D168 PolarHBondContact O-N 3.34Å; D168-A170 PolarHBondContact O-N 3.14Å; D168-A170 WeakPolarHBondContact OD1-CB 3.3Å; D168-A170 PolarHBondContact OD1-N 3.21Å; D168-A171 WeakPolarHBondContact O-CB 3.32Å; D168-A171 PolarHBondContact O-N 2.82Å
169	P	63.9	Low	55.2	Low	138 Å²	138	122.3 Å²	122.3	90%	0.896	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-8.9	175.2	24.9	-33.2	0	0	0	114.2	C167	C167-P169 WeakPolarHBondContact O-CD 3.21Å
170	A	62.4	Low	54.1	Low	71 Å²	71	126 Å²	126	59%	0.587	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-1.3	171.9	0	0	0	0	0	114.6	D168 V172	D168-A170 PolarHBondContact O-N 3.14Å; D168-A170 WeakPolarHBondContact OD1-CB 3.3Å; D168-A170 PolarHBondContact OD1-N 3.21Å; A170-V172 PolarHBondContact O-N 3.23Å; A170-V172 VanDerWaalsContact O-N 3.08Å
171	A	56.5	Low	52.4	Low	74 Å²	74	124.1 Å²	124.1	61%	0.612	72%	0.715	S	S	*	*			trans	-67.8	107.3	177.8	0	0	0	0	0	111.8	D168 S173	D168-A171 WeakPolarHBondContact O-CB 3.32Å; D168-A171 PolarHBondContact O-N 2.82Å; A171-S173 PolarHBondContact O-N 3.49Å; A171-S173 VanDerWaalsContact O-N 3.12Å
172	V	57.2	Low	51.2	Low	142 Å²	142	126 Å²	126	86%	0.861	73%	0.728	S	S	*	*			trans	-68.6	108.3	178.4	-168.9	0	0	0	0	109.6	A170 A174	A170-V172 PolarHBondContact O-N 3.23Å; A170-V172 VanDerWaalsContact O-N 3.08Å; V172-A174 PolarHBondContact O-N 2.94Å
173	S	49.4	Very low	50.1	Low	116 Å²	116	129.2 Å²	129.2	81%	0.811	74%	0.743	S	S	*	*			trans	-60.8	103.3	176.5	-99.5	0	0	0	0	111.9	A171 R175	A171-S173 PolarHBondContact O-N 3.49Å; A171-S173 VanDerWaalsContact O-N 3.12Å; S173-R175 PolarHBondContact O-N 2.91Å
174	A	47.6	Very low	49	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	76%	0.756	S	S	*	*			trans	-63.6	106.3	166.4	0	0	0	0	0	109.5	V172 T176	V172-A174 PolarHBondContact O-N 2.94Å; A174-T176 PolarHBondContact O-N 3.3Å
175	R	43.6	Very low	48	Very low	213 Å²	213	132.1 Å²	132.1	80%	0.804	77%	0.766	S	S	*	*			trans	-75.1	81.1	-176.3	-171.2	178	174.2	170.5	-3	111.1	S173 K177	S173-R175 PolarHBondContact O-N 2.91Å; R175-K177 PolarHBondContact O-N 2.57Å
176	T	37.2	Very low	47.5	Very low	122 Å²	122	133 Å²	133	75%	0.748	77%	0.766	S	S	*	*			trans	-92.8	88	167.1	-51.8	0	0	0	0	109.4	A174 V178	A174-T176 PolarHBondContact O-N 3.3Å; T176-V178 PolarHBondContact O-N 2.96Å
177	K	46.1	Very low	46.2	Very low	160 Å²	160	131.8 Å²	131.8	70%	0.696	77%	0.77	S	S	*	*			trans	-81.1	105.5	168.2	-89.7	-168.3	176.8	-171.7	0	109.7	R175 L179	R175-K177 PolarHBondContact O-N 2.57Å; K177-L179 PolarHBondContact O-N 3.01Å
178	V	40.8	Very low	45.5	Very low	126 Å²	126	133.3 Å²	133.3	76%	0.764	77%	0.769	S	S	*	*			trans	-64.8	116.8	164.1	176.7	0	0	0	0	109	T176	T176-V178 PolarHBondContact O-N 2.96Å
179	L	38.8	Very low	44.5	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	78%	0.781	S	S	*	*			trans	-79.5	131.5	172.8	-91.2	83.4	0	0	0	110.8	K177	K177-L179 PolarHBondContact O-N 3.01Å
180	K	40.8	Very low	43.5	Very low	186 Å²	186	139.6 Å²	139.6	81%	0.809	78%	0.78	S	S	*	*			trans	-114.6	116.8	156.8	-78.9	-174.1	178.2	178.1	0	109.6
181	T	34.5	Very low	42.4	Very low	125 Å²	125	138.1 Å²	138.1	77%	0.767	77%	0.772	S	S	*	*			trans	48.6	109.9	141.6	58.9	0	0	0	0	119.5
182	S	41.5	Very low	41.7	Very low	107 Å²	107	139.3 Å²	139.3	75%	0.748	77%	0.771	S	S	*	*				152.8	117.8	111.9	-61.3	0	0	0	0	112.2
183	S	39.9	Very low	40.8	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	77%	0.767	S	S	*	*			trans	53.5	101.3	144.7	-47.1	0	0	0	0	119.4
184	T	38.4	Very low	40.5	Very low	134 Å²	134	141.6 Å²	141.6	82%	0.822	76%	0.764	S	S	*	*				178.6	130.1	124.9	-70.1	0	0	0	0	109.8	Q186	T184-Q186 PolarHBondContact O-N 3.02Å
185	N	36	Very low	40.1	Very low	161 Å²	161	147.2 Å²	147.2	86%	0.861	77%	0.772	S	S	*	*			trans	-55.4	108.2	-178.3	-69	-27.7	0	0	0	113.5
186	Q	47.3	Very low	40	Very low	164 Å²	164	141.1 Å²	141.1	77%	0.766	77%	0.767	S	S	*	*			trans	-141.8	115	151.8	-71.4	-172.9	23.5	0	0	108.8	T184 L188	T184-Q186 PolarHBondContact O-N 3.02Å; Q186-L188 PolarHBondContact O-N 2.97Å
187	T	34	Very low	40.2	Very low	138 Å²	138	141.3 Å²	141.3	85%	0.847	76%	0.763	S	S	*	*			trans	-64.7	95.5	175.6	-45	0	0	0	0	109.2	H189	T187-H189 PolarHBondContact O-N 3.44Å
188	L	40.3	Very low	40.3	Very low	154 Å²	154	137.8 Å²	137.8	81%	0.806	76%	0.758	S	S	*	*			trans	-90.8	96.8	169.6	-76.6	169.4	0	0	0	108.7	Q186 F190	Q186-L188 PolarHBondContact O-N 2.97Å; L188-F190 PolarHBondContact O-N 3.28Å
189	H	39.3	Very low	40.7	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.806	76%	0.76	S	S	*	*			trans	-66.4	93.5	172.5	-143.3	-82.2	0	0	0	108.2	T187 G191	T187-H189 PolarHBondContact O-N 3.44Å; H189-G191 PolarHBondContact O-N 3.13Å
190	F	41.9	Very low	41.1	Very low	199 Å²	199	140 Å²	140	87%	0.873	76%	0.761	S	S	*	*			trans	-78.3	72.3	166	-128.4	-88.7	0	0	0	107.6	L188 V192	L188-F190 PolarHBondContact O-N 3.28Å; F190-V192 PolarHBondContact O-N 3.34Å; F190-V192 VanDerWaalsContact O-N 3.14Å
191	G	38.4	Very low	41.5	Very low	40 Å²	40	134.3 Å²	134.3	41%	0.412	74%	0.744	S	S	.	*			trans	-65.6	105.7	168.4	0	0	0	0	0	107.8	H189 D193	H189-G191 PolarHBondContact O-N 3.13Å; G191-D193 PolarHBondContact O-N 2.89Å
192	V	43.7	Very low	42.9	Very low	99 Å²	99	132.5 Å²	132.5	60%	0.6	75%	0.751	S	S	*	*			trans	-73.9	76.6	163.8	178.3	0	0	0	0	106.1	F190 Q194	F190-V192 PolarHBondContact O-N 3.34Å; F190-V192 VanDerWaalsContact O-N 3.14Å; V192-Q194 HydrophobicContact CG1-CB 4.21Å; V192-Q194 HydrophobicContact CG1-CG 3.53Å; V192-Q194 PolarHBondContact O-N 3.4Å
193	D	37.1	Very low	44.2	Very low	146 Å²	146	134 Å²	134	78%	0.781	75%	0.749	S	S	*	*			trans	-76	74.8	163.9	-72.1	-33.6	0	0	0	107.2	G191 K195	G191-D193 PolarHBondContact O-N 2.89Å; D193-K195 PolarHBondContact O-N 3.5Å
194	Q	42.9	Very low	45.8	Very low	160 Å²	160	132.3 Å²	132.3	75%	0.748	73%	0.73	S	S	*	*			trans	-71	70.9	167.9	-88.4	178.3	50.3	0	0	109.3	V192	V192-Q194 HydrophobicContact CG1-CB 4.21Å; V192-Q194 HydrophobicContact CG1-CG 3.53Å; V192-Q194 PolarHBondContact O-N 3.4Å
195	K	39	Very low	47.8	Very low	207 Å²	207	130.1 Å²	130.1	90%	0.9	71%	0.711	S	S	*	*			trans	-149.6	48.1	162.1	-100.9	-173.6	-179.4	-177.8	0	108.7	D193	D193-K195 PolarHBondContact O-N 3.5Å
196	A	42.3	Very low	50.5	Low	85 Å²	85	125.8 Å²	125.8	70%	0.702	69%	0.688	S	S	*	*			trans	-100.1	89.2	171.8	0	0	0	0	0	108.9	C198	A196-C198 PolarHBondContact O-N 3.4Å
197	N	40.3	Very low	52.8	Low	126 Å²	126	118.5 Å²	118.5	67%	0.674	65%	0.653	S	S	*	*			trans	16.3	79.4	147.3	-152.4	13.2	0	0	0	116.6	E199	N197-E199 PolarHBondContact O-N 2.95Å
198	C	48.6	Very low	55.8	Low	87 Å²	87	112.8 Å²	112.8	59%	0.588	62%	0.618	S	S	*	*			trans	-82.7	9.8	172.4	-112.2	0	0	0	0	113.1	A196 N200	A196-C198 PolarHBondContact O-N 3.4Å; C198-N200 PolarHBondContact O-N 2.91Å; C198-N200 VanDerWaalsContact O-N 3.1Å
199	E	49.4	Very low	58.5	Low	174 Å²	174	105.4 Å²	105.4	81%	0.813	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	0.3	-174	-62.1	-175.7	171.3	0	0	113.9	N197	N197-E199 PolarHBondContact O-N 2.95Å
200	N	46.9	Very low	61.3	Low	159 Å²	159	97.4 Å²	97.4	85%	0.85	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.1	13.1	-175.8	-104.8	-11.2	0	0	0	115.8	C198	C198-N200 PolarHBondContact O-N 2.91Å; C198-N200 VanDerWaalsContact O-N 3.1Å
201	S	50.4	Low	63.9	Low	66 Å²	66	88 Å²	88	46%	0.462	50%	0.501	S	S	.	.	S	Bend	trans	-92.3	122.6	164.7	-62.3	0	0	0	0	106.3	I203	S201-I203 PolarHBondContact O-N 2.96Å
202	G	63.2	Low	66.7	Low	88 Å²	88	86.8 Å²	86.8	91%	0.907	48%	0.484	S	S	*	.	S	Bend	trans	-64.4	25.2	177.5	0	0	0	0	0	115.1
203	I	68.9	Low	69.3	Low	137 Å²	137	82 Å²	82	70%	0.703	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-94	116.4	178.9	-57.5	171.9	0	0	0	106.5	S201	S201-I203 PolarHBondContact O-N 2.96Å
204	L	73.1	Confident	72.2	Confident	80 Å²	80	75.2 Å²	75.2	42%	0.419	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-72.2	129.7	176.2	-60.7	178.5	0	0	0	109.9	K82 Q86	K82-L204 HydrophobicContact CG-CD1 4.15Å; Q86-L204 VanDerWaalsContact OE1-CD1 3.29Å
205	Q	81.4	Confident	74.8	Confident	88 Å²	88	68 Å²	68	41%	0.411	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-71.7	127.6	176.7	-66.9	-174.8	-52.5	0	0	109.9	R83 E231	R83-Q205 PolarHBondContact NH1-O 3.26Å; R83-Q205 PolarHBondContact NH2-O 3.47Å; Q205-E231 WeakPolarHBondContact CA-OE2 3.32Å; Q205-E231 WeakPolarHBondContact CB-OE2 3.48Å; Q205-E231 WeakPolarHBondContact CG-OE2 3.43Å; Q205-E231 PolarHBondContact NE2-OE1 3.03Å
206	L	91.7	Very high	77.5	Confident	71 Å²	71	59.2 Å²	59.2	37%	0.372	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-68.1	136.9	178.5	179	64	0	0	0	110.1	Y81 E231	Y81-L206 HydrophobicContact CD1-CD1 3.36Å; Y81-L206 HydrophobicContact CE1-CD1 3.48Å; Y81-L206 VanDerWaalsContact CE1-CD1 3.48Å; Y81-L206 HydrophobicContact CG-CD1 4.26Å; L206-E231 PolarHBondContact O-N 3.35Å
207	R	95.8	Very high	79.9	Confident	11 Å²	11	56.2 Å²	56.2	4%	0.042	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	153.4	168	-70.5	174.4	173.9	168.2	2.7	110.1	C80 Y209 Y229 L236 E240 E243 D244	C80-R207 HydrophobicContact CB-CB 4.18Å; C80-R207 PolarHBondContact N-O 3Å; C80-R207 PolarHBondContact O-N 3.48Å; C80-R207 VanDerWaalsContact O-N 3.17Å; R207-Y209 HydrophobicContact CB-CE2 4.21Å; R207-Y229 VanDerWaalsContact CA-O 3.29Å; R207-Y229 WeakPolarHBondContact CA-O 3.43Å; R207-L236 HydrophobicContact CB-CD1 4.25Å; R207-L236 VanDerWaalsContact CD-CD1 3.49Å; R207-L236 HydrophobicContact CG-CD1 3.85Å; R207-L236 HydrophobicContact CG-CD2 4.29Å; R207-E240 PolarHBondContact NH1-O 3.32Å; R207-E243 IonicContact CZ-OE2 2.86Å; R207-E243 IonicContact NH1-OE2 3.89Å; R207-E243 PolarHBondContact NH1-OE2 3.22Å; R207-E243 IonicContact NH2-OE2 3.2Å; R207-E243 PolarHBondContact NH2-OE2 3.12Å; R207-D244 WeakPolarHBondContact CD-OD2 3.44Å; R207-D244 IonicContact CZ-OD2 3.44Å; R207-D244 IonicContact NE-OD2 3.3Å; R207-D244 VanDerWaalsContact NH1-CG 3.3Å; R207-D244 IonicContact NH1-OD1 3.99Å; R207-D244 PolarHBondContact NH1-OD1 3.39Å; R207-D244 IonicContact NH1-OD2 2.72Å; R207-D244 PolarHBondContact NH1-OD2 3.37Å
208	T	97	Very high	82.3	Confident	17 Å²	17	55 Å²	55	10%	0.104	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.2	173.2	55.4	0	0	0	0	110.2	V78 G228 Y229	V78-T208 CarbonylContact O-C 3.42Å; V78-T208 VanDerWaalsContact O-CA 3.26Å; V78-T208 WeakPolarHBondContact O-CA 3.29Å; T208-G228 CarbonylContact O-C 3.45Å; T208-G228 VanDerWaalsContact O-CA 3.3Å; T208-G228 WeakPolarHBondContact O-CA 3.47Å; T208-Y229 PolarHBondContact N-O 3.29Å; T208-Y229 PolarHBondContact O-N 2.71Å
209	Y	97.4	Very high	84.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	137.4	-176.8	-78.2	-91.7	0	0	0	111.7	S77 V78 C80 R207 L226 Y227 G228 M241 D244 I313	S77-Y209 PolarHBondContact N-O 3.24Å; V78-Y209 WeakPolarHBondContact CB-O 3.48Å; V78-Y209 PolarHBondContact N-O 3.1Å; V78-Y209 PolarHBondContact O-N 3.39Å; C80-Y209 HydrophobicContact CB-CD2 3.88Å; C80-Y209 HydrophobicContact CB-CE2 3.85Å; R207-Y209 HydrophobicContact CB-CE2 4.21Å; Y209-L226 HydrophobicContact CD1-CB 4.37Å; Y209-L226 HydrophobicContact CD1-CD1 3.78Å; Y209-L226 HydrophobicContact CE1-CD1 3.57Å; Y209-Y227 CarbonylContact C-O 3.52Å; Y209-Y227 WeakPolarHBondContact CA-O 3.46Å; Y209-G228 VanDerWaalsContact CD1-CA 3.42Å; Y209-G228 VanDerWaalsContact CE1-CA 3.47Å; Y209-M241 HydrophobicContact CE1-CB 4.43Å; Y209-M241 HydrophobicContact CE1-CG 3.92Å; Y209-M241 HydrophobicContact CE1-SD 4.16Å; Y209-M241 WeakPolarHBondContact OH-CA 3.13Å; Y209-D244 HydrophobicContact CE2-CB 4.47Å; Y209-D244 PolarHBondContact OH-OD2 3.46Å; Y209-I313 HydrophobicContact CD1-CD1 4.09Å; Y209-I313 HydrophobicContact CD2-CD1 3.78Å; Y209-I313 HydrophobicContact CD2-CG1 4.13Å; Y209-I313 HydrophobicContact CE1-CD1 4.24Å; Y209-I313 HydrophobicContact CE2-CD1 3.93Å; Y209-I313 HydrophobicContact CE2-CG1 4.3Å; Y209-I313 HydrophobicContact CG-CD1 3.86Å
210	D	96.9	Very high	86.6	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.032	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.6	159.6	-73.2	-3.1	0	0	0	108.2	T75 R76 S77 Y212 L226 Y227 Y229	T75-D210 WeakPolarHBondContact O-CA 3.4Å; R76-D210 WeakPolarHBondContact CA-OD1 3.5Å; R76-D210 WeakPolarHBondContact CB-OD1 3.17Å; R76-D210 IonicContact NH1-OD2 2.91Å; R76-D210 PolarHBondContact NH1-OD2 3.44Å; S77-D210 PolarHBondContact N-OD1 2.92Å; D210-Y212 HydrophobicContact CB-CE2 3.6Å; D210-Y212 WeakPolarHBondContact CB-OH 3.39Å; D210-Y212 WeakPolarHBondContact O-CE2 3.39Å; D210-Y212 PolarHBondContact OD2-OH 3.36Å; D210-L226 CarbonylContact O-C 3.53Å; D210-L226 WeakPolarHBondContact O-CA 3.32Å; D210-Y227 PolarHBondContact N-O 2.79Å; D210-Y227 PolarHBondContact O-N 3.49Å; D210-Y229 HydrophobicContact CB-CE2 4.41Å; D210-Y229 PolarHBondContact OD2-OH 3.21Å
211	L	97.2	Very high	89	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141	177.6	-52	179.5	0	0	0	110.2	W53 I74 T75 V78 L224 W225 L226 I313 Y315	W53-L211 HydrophobicContact CH2-CB 3.97Å; I74-L211 VanDerWaalsContact CA-O 3.3Å; I74-L211 WeakPolarHBondContact CA-O 3.36Å; I74-L211 WeakPolarHBondContact CG1-O 3.2Å; T75-L211 HydrophobicContact CG2-CB 3.77Å; T75-L211 HydrophobicContact CG2-CD1 4.16Å; T75-L211 HydrophobicContact CG2-CG 4.2Å; T75-L211 PolarHBondContact N-O 3.05Å; T75-L211 PolarHBondContact O-N 3.07Å; V78-L211 HydrophobicContact CG2-CD1 4.31Å; V78-L211 HydrophobicContact CG2-CG 4.34Å; L211-L224 HydrophobicContact CB-CD1 4.45Å; L211-W225 WeakPolarHBondContact CA-O 3.23Å; L211-L226 HydrophobicContact CD2-CB 3.5Å; L211-I313 HydrophobicContact CD1-CG2 4.24Å; L211-Y315 HydrophobicContact CD1-CD1 3.48Å; L211-Y315 VanDerWaalsContact CD1-CD1 3.48Å; L211-Y315 HydrophobicContact CD1-CE1 4.29Å; L211-Y315 HydrophobicContact CD1-CG 3.75Å
212	Y	97.6	Very high	91.2	Very high	15 Å²	15	36.5 Å²	36.5	6%	0.059	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.3	-176.8	-50.3	-104.3	0	0	0	109.9	Y72 L73 I74 D210 L224 W225 L262 M267	Y72-Y212 HydrophobicContact CD2-CD1 4.03Å; Y72-Y212 AromaticContact CE2-CD1 3.7Å; Y72-Y212 HydrophobicContact CE2-CD1 3.7Å; Y72-Y212 HydrophobicContact CE2-CE1 4.25Å; L73-Y212 CarbonylContact O-C 3.46Å; L73-Y212 VanDerWaalsContact O-CA 3.27Å; L73-Y212 WeakPolarHBondContact O-CA 3.38Å; I74-Y212 HydrophobicContact CB-CD1 4.25Å; I74-Y212 HydrophobicContact CD1-CD1 3.8Å; I74-Y212 HydrophobicContact CD1-CE1 3.22Å; I74-Y212 HydrophobicContact CG1-CD1 3.79Å; I74-Y212 HydrophobicContact CG1-CE1 3.7Å; I74-Y212 HydrophobicContact CG1-CG 4.45Å; D210-Y212 HydrophobicContact CB-CE2 3.6Å; D210-Y212 WeakPolarHBondContact CB-OH 3.39Å; D210-Y212 WeakPolarHBondContact O-CE2 3.39Å; D210-Y212 PolarHBondContact OD2-OH 3.36Å; Y212-L224 CarbonylContact O-C 3.59Å; Y212-L224 WeakPolarHBondContact O-CA 3.36Å; Y212-W225 HydrophobicContact CD2-CB 4.47Å; Y212-W225 PolarHBondContact N-O 3.17Å; Y212-W225 PolarHBondContact O-N 3.24Å; Y212-L262 HydrophobicContact CD1-CD1 3.82Å; Y212-L262 HydrophobicContact CE1-CD1 3.42Å; Y212-L262 VanDerWaalsContact CE1-CD1 3.42Å; Y212-M267 HydrophobicContact CD2-CE 3.52Å; Y212-M267 HydrophobicContact CE2-CE 3.51Å; Y212-M267 HydrophobicContact CG-CE 4.46Å
213	I	98	Very high	92.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.6	173.4	-55.7	170.2	0	0	0	109.1	F39 L46 W53 Y72 L73 P222 R223 L224 L299 F302 L303	F39-I213 HydrophobicContact CE2-CG2 4Å; F39-I213 HydrophobicContact CZ-CG2 4.39Å; L46-I213 HydrophobicContact CD2-CD1 4.18Å; W53-I213 HydrophobicContact CE3-CD1 4.2Å; W53-I213 HydrophobicContact CH2-CD1 3.52Å; W53-I213 HydrophobicContact CH2-CG1 3.75Å; W53-I213 HydrophobicContact CZ2-CD1 4.14Å; W53-I213 HydrophobicContact CZ3-CD1 3.57Å; W53-I213 HydrophobicContact CZ3-CG1 3.67Å; Y72-I213 CarbonylContact C-O 3.47Å; Y72-I213 VanDerWaalsContact CA-O 3.3Å; Y72-I213 WeakPolarHBondContact CA-O 3.31Å; Y72-I213 VanDerWaalsContact CB-O 3.24Å; Y72-I213 WeakPolarHBondContact CB-O 3.45Å; L73-I213 HydrophobicContact CB-CB 4.23Å; L73-I213 HydrophobicContact CD1-CB 4.37Å; L73-I213 PolarHBondContact N-O 2.85Å; L73-I213 PolarHBondContact O-N 3.37Å; I213-P222 HydrophobicContact CG2-CB 3.82Å; I213-R223 WeakPolarHBondContact CA-O 3.46Å; I213-L224 HydrophobicContact CG1-CD1 3.7Å; I213-L299 HydrophobicContact CG2-CD2 4.08Å; I213-F302 HydrophobicContact CD1-CE1 4.39Å; I213-F302 HydrophobicContact CG1-CE1 4.35Å; I213-F302 HydrophobicContact CG2-CE1 4.23Å; I213-L303 HydrophobicContact CD1-CD2 4.01Å; I213-L303 HydrophobicContact CD1-CG 4.41Å
214	T	97.7	Very high	94.1	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	157.6	177.7	63.4	0	0	0	0	110.8	P222 R223 W225 H259 P260	T214-P222 CarbonylContact O-C 3.39Å; T214-P222 WeakPolarHBondContact O-CA 3.44Å; T214-R223 PolarHBondContact N-O 2.79Å; T214-R223 PolarHBondContact O-N 2.84Å; T214-R223 PolarHBondContact OG1-O 3.24Å; T214-W225 PolarHBondContact OG1-NE1 3.34Å; T214-H259 WeakPolarHBondContact CG2-NE2 3.46Å; T214-P260 HydrophobicContact CG2-CG 3.86Å
215	Y	97.5	Very high	95.2	Very high	10 Å²	10	22.9 Å²	22.9	4%	0.039	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.5	168.9	-178.9	-101.1	0	0	0	111.3	I34 P36 F39 Y65 K217	I34-Y215 HydrophobicContact CG1-CE2 4.19Å; I34-Y215 VanDerWaalsContact O-CE2 3.27Å; I34-Y215 WeakPolarHBondContact O-CE2 3.44Å; I34-Y215 PolarHBondContact O-OH 2.9Å; P36-Y215 HydrophobicContact CG-CE1 3.86Å; F39-Y215 HydrophobicContact CB-CD2 3.73Å; F39-Y215 HydrophobicContact CB-CE2 4.28Å; F39-Y215 HydrophobicContact CB-CG 4.45Å; F39-Y215 HydrophobicContact CD1-CD2 4.4Å; F39-Y215 HydrophobicContact CD1-CG 4.38Å; F39-Y215 HydrophobicContact CD2-CD2 4.14Å; F39-Y215 AromaticContact CG-CD2 3.83Å; F39-Y215 HydrophobicContact CG-CD2 3.83Å; F39-Y215 HydrophobicContact CG-CG 4.26Å; Y65-Y215 HydrophobicContact CD2-CD1 4.48Å; Y65-Y215 AromaticContact CE2-CD1 3.87Å; Y65-Y215 HydrophobicContact CE2-CD1 3.87Å; Y65-Y215 HydrophobicContact CE2-CE1 4.34Å; Y215-K217 HydrophobicContact CE1-CB 4.44Å; Y215-K217 PolarHBondContact O-N 2.95Å
216	D	95.3	Very high	95.9	Very high	21 Å²	21	18.7 Å²	18.7	11%	0.112	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.8	173.3	-168.6	-53.5	0	0	0	109.9	Y218 Y219 Q220 T221 R223 P272	D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.32Å; D216-Y218 WeakPolarHBondContact OD1-CA 3.22Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.48Å; D216-Y218 PolarHBondContact OD1-N 3.44Å; D216-Y219 PolarHBondContact OD1-N 2.66Å; D216-Q220 WeakPolarHBondContact O-CA 3.49Å; D216-Q220 PolarHBondContact O-N 3.29Å; D216-T221 WeakPolarHBondContact CB-O 3.23Å; D216-T221 PolarHBondContact N-O 2.95Å; D216-T221 PolarHBondContact O-N 3.24Å; D216-R223 HydrophobicContact CB-CB 4.37Å; D216-R223 IonicContact OD2-CZ 2.72Å; D216-R223 VanDerWaalsContact OD2-CZ 3.26Å; D216-R223 IonicContact OD2-NE 3.01Å; D216-R223 PolarHBondContact OD2-NE 3.15Å; D216-R223 IonicContact OD2-NH2 3.29Å; D216-R223 PolarHBondContact OD2-NH2 2.76Å; D216-P272 HydrophobicContact CB-CG 4.29Å
217	K	93.2	Very high	96.1	Very high	23 Å²	23	17 Å²	17	10%	0.1	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28.7	-178.3	176	167.4	-178.1	-95.6	0	113.3	E17 T20 Y65 Y215	E17-K217 HydrophobicContact CG-CB 4.15Å; E17-K217 HydrophobicContact CG-CD 4.45Å; E17-K217 PolarHBondContact O-NZ 3.23Å; T20-K217 VanDerWaalsContact O-CE 3.31Å; T20-K217 WeakPolarHBondContact O-CE 3.3Å; T20-K217 PolarHBondContact O-NZ 3.28Å; Y65-K217 HydrophobicContact CD1-CD 4.13Å; Y65-K217 HydrophobicContact CE1-CD 3.58Å; Y215-K217 HydrophobicContact CE1-CB 4.44Å; Y215-K217 PolarHBondContact O-N 2.95Å
218	Y	92.1	Very high	96.1	Very high	100 Å²	100	16.4 Å²	16.4	39%	0.392	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-46.7	-177.6	178.6	-93.4	0	0	0	110.7	A16 T20 D216	A16-Y218 HydrophobicContact CB-CD2 3.82Å; A16-Y218 HydrophobicContact CB-CE2 3.74Å; T20-Y218 WeakPolarHBondContact OG1-CD2 3.44Å; D216-Y218 VanDerWaalsContact C-N 3.3Å; D216-Y218 PolarHBondContact O-N 3.32Å; D216-Y218 WeakPolarHBondContact OD1-CA 3.22Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.48Å; D216-Y218 PolarHBondContact OD1-N 3.44Å
219	Y	93	Very high	96.1	Very high	63 Å²	63	18.2 Å²	18.2	25%	0.247	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-15.4	178.8	-69.8	-75.8	0	0	0	113.9	D216 T221 H271 P272 C273	D216-Y219 PolarHBondContact OD1-N 2.66Å; Y219-T221 VanDerWaalsContact C-N 3.26Å; Y219-T221 PolarHBondContact O-N 3.34Å; Y219-H271 AromaticContact CE2-CE1 3.76Å; Y219-H271 AromaticContact CZ-CE1 3.73Å; Y219-H271 PolarHBondContact OH-CE1 2.75Å; Y219-P272 HydrophobicContact CD2-CB 4.49Å; Y219-P272 HydrophobicContact CD2-CG 3.53Å; Y219-P272 HydrophobicContact CE2-CG 4.18Å; Y219-P272 HydrophobicContact CG-CB 4.44Å; Y219-P272 HydrophobicContact CG-CG 3.93Å; Y219-C273 HydrophobicContact CD1-CB 4.46Å; Y219-C273 HydrophobicContact CE1-CB 3.74Å
220	Q	95.3	Very high	95.9	Very high	34 Å²	34	20.4 Å²	20.4	16%	0.159	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	37	-177.8	-58.3	172.3	-12.1	0	0	112.3	L23 V33 I34 D216	L23-Q220 HydrophobicContact CB-CG 4.48Å; V33-Q220 HydrophobicContact CB-CB 3.87Å; V33-Q220 HydrophobicContact CG1-CB 4.37Å; V33-Q220 HydrophobicContact CG2-CB 4.35Å; I34-Q220 PolarHBondContact N-O 3.32Å; D216-Q220 WeakPolarHBondContact O-CA 3.49Å; D216-Q220 PolarHBondContact O-N 3.29Å
221	T	95.4	Very high	95.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	158.9	-178.3	59.5	0	0	0	0	110.4	D216 Y219 P272 Q275 A276	D216-T221 WeakPolarHBondContact CB-O 3.23Å; D216-T221 PolarHBondContact N-O 2.95Å; D216-T221 PolarHBondContact O-N 3.24Å; Y219-T221 VanDerWaalsContact C-N 3.26Å; Y219-T221 PolarHBondContact O-N 3.34Å; T221-P272 VanDerWaalsContact OG1-CB 3.25Å; T221-P272 WeakPolarHBondContact OG1-CB 3.32Å; T221-Q275 HydrophobicContact CG2-CB 4.42Å; T221-Q275 HydrophobicContact CG2-CG 4.46Å; T221-A276 HydrophobicContact CG2-CB 4.11Å
222	P	97.3	Very high	95.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	151.4	163.7	-22.3	31.1	0	0	0	111.7	I34 F39 I213 T214 Q275 Y298 L299 F302	I34-P222 HydrophobicContact CD1-CG 3.94Å; F39-P222 HydrophobicContact CD2-CG 4.25Å; F39-P222 HydrophobicContact CE2-CB 4.39Å; F39-P222 HydrophobicContact CE2-CG 4.42Å; I213-P222 HydrophobicContact CG2-CB 3.82Å; T214-P222 CarbonylContact O-C 3.39Å; T214-P222 WeakPolarHBondContact O-CA 3.44Å; P222-Q275 VanDerWaalsContact CD-NE2 3.34Å; P222-Q275 PolarHBondContact O-NE2 2.97Å; P222-Q275 PolarHBondContact O-OE1 3.22Å; P222-Y298 HydrophobicContact CG-CD1 3.73Å; P222-Y298 HydrophobicContact CG-CE1 3.44Å; P222-Y298 VanDerWaalsContact CG-CE1 3.44Å; P222-L299 HydrophobicContact CB-CD2 3.77Å; P222-L299 HydrophobicContact CG-CD2 3.41Å; P222-L299 VanDerWaalsContact CG-CD2 3.41Å; P222-F302 HydrophobicContact CB-CD1 4.04Å; P222-F302 HydrophobicContact CB-CE1 3.99Å; P222-F302 HydrophobicContact CB-CG 4.33Å; P222-F302 HydrophobicContact CB-CZ 4.23Å
223	R	96.6	Very high	95.2	Very high	13 Å²	13	35.1 Å²	35.1	5%	0.049	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	131	172.3	178	-172.6	-77.2	-116.9	7.2	108.5	I213 T214 D216 W225 E257 S269 P272	I213-R223 WeakPolarHBondContact CA-O 3.46Å; T214-R223 PolarHBondContact N-O 2.79Å; T214-R223 PolarHBondContact O-N 2.84Å; T214-R223 PolarHBondContact OG1-O 3.24Å; D216-R223 HydrophobicContact CB-CB 4.37Å; D216-R223 IonicContact OD2-CZ 2.72Å; D216-R223 VanDerWaalsContact OD2-CZ 3.26Å; D216-R223 IonicContact OD2-NE 3.01Å; D216-R223 PolarHBondContact OD2-NE 3.15Å; D216-R223 IonicContact OD2-NH2 3.29Å; D216-R223 PolarHBondContact OD2-NH2 2.76Å; R223-W225 HydrophobicContact CG-CZ2 4.31Å; R223-E257 IonicContact NH1-OE1 3.39Å; R223-E257 PolarHBondContact NH1-OE1 2.97Å; R223-E257 IonicContact NH1-OE2 2.8Å; R223-E257 PolarHBondContact NH1-OE2 3.06Å; R223-S269 WeakPolarHBondContact CD-OG 3.42Å; R223-S269 VanDerWaalsContact CG-OG 3.28Å; R223-S269 WeakPolarHBondContact CG-OG 3.34Å; R223-P272 HydrophobicContact CB-CG 4.47Å; R223-P272 VanDerWaalsContact NH2-CD 3.3Å
224	L	96.9	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141.8	178.4	-167.5	82.8	0	0	0	110.8	W53 L211 Y212 I213 S269 I270 F302 V306 I310	W53-L224 HydrophobicContact CH2-CD1 4.42Å; L211-L224 HydrophobicContact CB-CD1 4.45Å; Y212-L224 CarbonylContact O-C 3.59Å; Y212-L224 WeakPolarHBondContact O-CA 3.36Å; I213-L224 HydrophobicContact CG1-CD1 3.7Å; L224-S269 VanDerWaalsContact O-CA 3.23Å; L224-S269 WeakPolarHBondContact O-CA 3.46Å; L224-S269 WeakPolarHBondContact O-CB 3.31Å; L224-S269 PolarHBondContact O-OG 3.2Å; L224-I270 HydrophobicContact CB-CB 4.43Å; L224-I270 HydrophobicContact CB-CD1 4.35Å; L224-I270 HydrophobicContact CD2-CD1 3.6Å; L224-I270 HydrophobicContact CD2-CG1 4.33Å; L224-I270 PolarHBondContact O-N 2.96Å; L224-F302 HydrophobicContact CB-CE1 4.32Å; L224-F302 HydrophobicContact CB-CZ 3.95Å; L224-V306 HydrophobicContact CD2-CB 4.45Å; L224-V306 HydrophobicContact CD2-CG1 3.39Å; L224-V306 HydrophobicContact CD2-CG2 4.16Å; L224-I310 HydrophobicContact CD2-CD1 4.03Å
225	W	97.1	Very high	94.8	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.7	169.9	-46.5	73.6	0	0	0	109	L211 Y212 T214 R223 E257 S258 H259 P260 M267 P268	L211-W225 WeakPolarHBondContact CA-O 3.23Å; Y212-W225 HydrophobicContact CD2-CB 4.47Å; Y212-W225 PolarHBondContact N-O 3.17Å; Y212-W225 PolarHBondContact O-N 3.24Å; T214-W225 PolarHBondContact OG1-NE1 3.34Å; R223-W225 HydrophobicContact CG-CZ2 4.31Å; W225-E257 HydrophobicContact CH2-CB 3.73Å; W225-E257 HydrophobicContact CZ3-CB 3.54Å; W225-S258 WeakPolarHBondContact CH2-O 3.38Å; W225-H259 AromaticContact CD1-CD2 3.78Å; W225-H259 AromaticContact CD1-NE2 3.96Å; W225-H259 AromaticContact CD2-CD2 3.75Å; W225-H259 HydrophobicContact CE3-CB 4.46Å; W225-H259 AromaticContact CG-CD2 3.55Å; W225-P260 HydrophobicContact CZ2-CG 4.17Å; W225-M267 HydrophobicContact CB-CE 4Å; W225-M267 HydrophobicContact CE3-CB 4.15Å; W225-P268 WeakPolarHBondContact CA-O 3.01Å
226	L	95.3	Very high	94.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.4	-178	64.7	93.8	0	0	0	111	Y209 D210 L211 M241 F245 P268 I310	Y209-L226 HydrophobicContact CD1-CB 4.37Å; Y209-L226 HydrophobicContact CD1-CD1 3.78Å; Y209-L226 HydrophobicContact CE1-CD1 3.57Å; D210-L226 CarbonylContact O-C 3.53Å; D210-L226 WeakPolarHBondContact O-CA 3.32Å; L211-L226 HydrophobicContact CD2-CB 3.5Å; L226-M241 HydrophobicContact CD1-SD 3.91Å; L226-F245 HydrophobicContact CD1-CE1 3.67Å; L226-F245 HydrophobicContact CD1-CZ 3.46Å; L226-F245 VanDerWaalsContact CD1-CZ 3.46Å; L226-F245 HydrophobicContact CD2-CE1 3.65Å; L226-F245 HydrophobicContact CD2-CZ 3.7Å; L226-F245 HydrophobicContact CG-CE1 4.28Å; L226-F245 HydrophobicContact CG-CZ 4.09Å; L226-P268 HydrophobicContact CD1-CB 4.22Å; L226-P268 HydrophobicContact CD1-CG 4.32Å; L226-P268 HydrophobicContact CG-CB 4.23Å; L226-P268 PolarHBondContact N-O 2.94Å; L226-P268 VanDerWaalsContact N-O 3.15Å; L226-I310 HydrophobicContact CD2-CG2 4.33Å
227	Y	95.3	Very high	94.6	Very high	35 Å²	35	46.4 Å²	46.4	14%	0.137	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	121.2	176.1	-159.1	-108.4	0	0	0	109.5	Y209 D210 Y229 P235 H265 M267	Y209-Y227 CarbonylContact C-O 3.52Å; Y209-Y227 WeakPolarHBondContact CA-O 3.46Å; D210-Y227 PolarHBondContact N-O 2.79Å; D210-Y227 PolarHBondContact O-N 3.49Å; Y227-Y229 HydrophobicContact CD1-CE1 4.12Å; Y227-Y229 HydrophobicContact CD1-CE2 4.23Å; Y227-Y229 AromaticContact CD1-CZ 3.77Å; Y227-Y229 HydrophobicContact CE1-CE1 4.13Å; Y227-P235 HydrophobicContact CE1-CB 3.88Å; Y227-P235 HydrophobicContact CE1-CG 4.27Å; Y227-P235 WeakPolarHBondContact OH-CB 3.33Å; Y227-H265 HydrophobicContact CE2-CB 4.4Å; Y227-M267 HydrophobicContact CD2-CG 4.01Å
228	G	95.5	Very high	94.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	155.4	-173.9	0	0	0	0	0	113.8	T208 Y209 L236 M241	T208-G228 CarbonylContact O-C 3.45Å; T208-G228 VanDerWaalsContact O-CA 3.3Å; T208-G228 WeakPolarHBondContact O-CA 3.47Å; Y209-G228 VanDerWaalsContact CD1-CA 3.42Å; Y209-G228 VanDerWaalsContact CE1-CA 3.47Å; G228-L236 PolarHBondContact O-N 3.02Å; G228-M241 PolarHBondContact N-SD 2.61Å
229	Y	96.7	Very high	94.4	Very high	55 Å²	55	48.4 Å²	48.4	22%	0.216	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.3	175	-51.5	-93.3	0	0	0	110.6	R207 T208 D210 Y227 Q234	R207-Y229 VanDerWaalsContact CA-O 3.29Å; R207-Y229 WeakPolarHBondContact CA-O 3.43Å; T208-Y229 PolarHBondContact N-O 3.29Å; T208-Y229 PolarHBondContact O-N 2.71Å; D210-Y229 HydrophobicContact CB-CE2 4.41Å; D210-Y229 PolarHBondContact OD2-OH 3.21Å; Y227-Y229 HydrophobicContact CD1-CE1 4.12Å; Y227-Y229 HydrophobicContact CD1-CE2 4.23Å; Y227-Y229 AromaticContact CD1-CZ 3.77Å; Y227-Y229 HydrophobicContact CE1-CE1 4.13Å; Y229-Q234 CarbonylContact C-O 3.53Å; Y229-Q234 WeakPolarHBondContact CA-O 3.21Å
230	D	94.4	Very high	94.4	Very high	45 Å²	45	48.5 Å²	48.5	24%	0.241	25%	0.247	C	C	.	.			trans	-78.9	-176.2	172.3	73.4	7.7	0	0	0	112.7	H232 H233 Q234 L236	D230-H232 PolarHBondContact O-N 3.06Å; D230-H232 VanDerWaalsContact OD1-CA 3.28Å; D230-H232 WeakPolarHBondContact OD1-CA 3.47Å; D230-H232 WeakPolarHBondContact OD1-CB 3.3Å; D230-H232 PolarHBondContact OD1-N 3.35Å; D230-H233 PolarHBondContact O-N 3.38Å; D230-H233 PolarHBondContact OD1-N 3.21Å; D230-Q234 PolarHBondContact N-O 3.14Å; D230-Q234 PolarHBondContact OD1-N 3.4Å; D230-L236 HydrophobicContact CB-CD2 3.92Å
231	E	91.8	Very high	94.3	Very high	79 Å²	79	47.1 Å²	47.1	37%	0.369	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.5	177.4	64.9	-154.2	-177.4	0	0	114.8	Q205 L206	Q205-E231 WeakPolarHBondContact CA-OE2 3.32Å; Q205-E231 WeakPolarHBondContact CB-OE2 3.48Å; Q205-E231 WeakPolarHBondContact CG-OE2 3.43Å; Q205-E231 PolarHBondContact NE2-OE1 3.03Å; L206-E231 PolarHBondContact O-N 3.35Å
232	H	92.5	Very high	94.2	Very high	120 Å²	120	49.9 Å²	49.9	56%	0.556	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	13.7	175.9	-59.8	-43.5	0	0	0	112.1	D230 Q234	D230-H232 PolarHBondContact O-N 3.06Å; D230-H232 VanDerWaalsContact OD1-CA 3.28Å; D230-H232 WeakPolarHBondContact OD1-CA 3.47Å; D230-H232 WeakPolarHBondContact OD1-CB 3.3Å; D230-H232 PolarHBondContact OD1-N 3.35Å; H232-Q234 HydrophobicContact CB-CG 4.3Å; H232-Q234 PolarHBondContact O-N 3Å; H232-Q234 PolarHBondContact O-NE2 2.85Å
233	H	91.6	Very high	93.9	Very high	132 Å²	132	53 Å²	53	61%	0.611	27%	0.267	S	S	*	.	S	Bend	trans	55.7	28.2	-175.8	-63.1	-68.4	0	0	0	114	D230	D230-H233 PolarHBondContact O-N 3.38Å; D230-H233 PolarHBondContact OD1-N 3.21Å
234	Q	94.1	Very high	93.7	Very high	113 Å²	113	52.4 Å²	52.4	53%	0.528	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-87.1	143.3	169.3	-56.1	-54.5	-60.5	0	0	109.9	Y229 D230 H232 L236	Y229-Q234 CarbonylContact C-O 3.53Å; Y229-Q234 WeakPolarHBondContact CA-O 3.21Å; D230-Q234 PolarHBondContact N-O 3.14Å; D230-Q234 PolarHBondContact OD1-N 3.4Å; H232-Q234 HydrophobicContact CB-CG 4.3Å; H232-Q234 PolarHBondContact O-N 3Å; H232-Q234 PolarHBondContact O-NE2 2.85Å; Q234-L236 PolarHBondContact O-N 3.48Å
235	P	94.6	Very high	93.5	Very high	68 Å²	68	52.4 Å²	52.4	44%	0.442	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-58.8	133.7	177.2	-24.1	34.1	0	0	0	112.5	Y227	Y227-P235 HydrophobicContact CE1-CB 3.88Å; Y227-P235 HydrophobicContact CE1-CG 4.27Å; Y227-P235 WeakPolarHBondContact OH-CB 3.33Å
236	L	94.2	Very high	93.2	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.052	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-70.2	148.5	172.8	-66.6	176.7	0	0	0	111.1	R207 G228 D230 Q234 E240 M241	R207-L236 HydrophobicContact CB-CD1 4.25Å; R207-L236 VanDerWaalsContact CD-CD1 3.49Å; R207-L236 HydrophobicContact CG-CD1 3.85Å; R207-L236 HydrophobicContact CG-CD2 4.29Å; G228-L236 PolarHBondContact O-N 3.02Å; D230-L236 HydrophobicContact CB-CD2 3.92Å; Q234-L236 PolarHBondContact O-N 3.48Å; L236-E240 HydrophobicContact CB-CB 4.19Å; L236-E240 HydrophobicContact CD2-CB 4.16Å; L236-M241 HydrophobicContact CB-CG 3.81Å; L236-M241 HydrophobicContact CD1-CG 4.15Å
237	T	93.3	Very high	92.7	Very high	78 Å²	78	55.4 Å²	55.4	48%	0.479	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-70.5	159.3	166.8	64.5	0	0	0	0	110.9	A239 E240 M241	T237-A239 VanDerWaalsContact C-N 3.27Å; T237-A239 PolarHBondContact O-N 3.15Å; T237-E240 WeakPolarHBondContact CB-OE2 3.25Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.43Å; T237-E240 PolarHBondContact N-OE2 3.33Å; T237-E240 PolarHBondContact O-N 3.19Å; T237-E240 VanDerWaalsContact OG1-CD 3.3Å; T237-E240 VanDerWaalsContact OG1-CG 3.26Å; T237-E240 WeakPolarHBondContact OG1-CG 3.24Å; T237-E240 PolarHBondContact OG1-N 2.89Å; T237-E240 PolarHBondContact OG1-OE2 3.4Å; T237-M241 PolarHBondContact O-N 3.16Å
238	E	90.9	Very high	92.1	Very high	95 Å²	95	59.4 Å²	59.4	44%	0.444	30%	0.303	S	S	.	.	H	α-helix	trans	-55.5	-44.9	174.2	-175.7	176.5	-167.2	0	0	111.1	E240 M241 Y242 T256	E238-E240 VanDerWaalsContact C-N 3.33Å; E238-E240 PolarHBondContact O-N 3.08Å; E238-M241 PolarHBondContact O-N 2.78Å; E238-Y242 HydrophobicContact CG-CD2 3.81Å; E238-Y242 HydrophobicContact CG-CE2 3.67Å; E238-Y242 VanDerWaalsContact O-CD2 3.27Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 3.21Å; E238-T256 WeakPolarHBondContact OE1-CB 3.26Å; E238-T256 PolarHBondContact OE1-OG1 2.94Å
239	A	90.8	Very high	91.4	Very high	71 Å²	71	60.1 Å²	60.1	59%	0.587	31%	0.306	S	S	*	.	H	α-helix	trans	-58.8	-42.7	179	0	0	0	0	0	112.6	T237 Y242 E243	T237-A239 VanDerWaalsContact C-N 3.27Å; T237-A239 PolarHBondContact O-N 3.15Å; A239-Y242 PolarHBondContact O-N 3.11Å; A239-E243 PolarHBondContact O-N 3.24Å
240	E	93	Very high	90.6	Very high	64 Å²	64	57.5 Å²	57.5	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-44.1	177	-74.7	166.2	132.2	0	0	111.7	R207 L236 T237 E238 Y242 E243	R207-E240 PolarHBondContact NH1-O 3.32Å; L236-E240 HydrophobicContact CB-CB 4.19Å; L236-E240 HydrophobicContact CD2-CB 4.16Å; T237-E240 WeakPolarHBondContact CB-OE2 3.25Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.43Å; T237-E240 PolarHBondContact N-OE2 3.33Å; T237-E240 PolarHBondContact O-N 3.19Å; T237-E240 VanDerWaalsContact OG1-CD 3.3Å; T237-E240 VanDerWaalsContact OG1-CG 3.26Å; T237-E240 WeakPolarHBondContact OG1-CG 3.24Å; T237-E240 PolarHBondContact OG1-N 2.89Å; T237-E240 PolarHBondContact OG1-OE2 3.4Å; E238-E240 VanDerWaalsContact C-N 3.33Å; E238-E240 PolarHBondContact O-N 3.08Å; E240-Y242 VanDerWaalsContact C-N 3.3Å; E240-Y242 PolarHBondContact O-N 3.02Å; E240-E243 VanDerWaalsContact O-CB 3.29Å; E240-E243 WeakPolarHBondContact O-CB 3.37Å; E240-E243 PolarHBondContact O-N 3.05Å; E240-E243 VanDerWaalsContact O-N 3.08Å
241	M	93.3	Very high	89.9	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.03	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-39	177.5	-68.7	-172.5	-74	0	0	112.2	Y209 L226 G228 L236 T237 E238 E243 D244 F245 P268	Y209-M241 HydrophobicContact CE1-CB 4.43Å; Y209-M241 HydrophobicContact CE1-CG 3.92Å; Y209-M241 HydrophobicContact CE1-SD 4.16Å; Y209-M241 WeakPolarHBondContact OH-CA 3.13Å; L226-M241 HydrophobicContact CD1-SD 3.91Å; G228-M241 PolarHBondContact N-SD 2.61Å; L236-M241 HydrophobicContact CB-CG 3.81Å; L236-M241 HydrophobicContact CD1-CG 4.15Å; T237-M241 PolarHBondContact O-N 3.16Å; E238-M241 PolarHBondContact O-N 2.78Å; M241-E243 PolarHBondContact O-N 3.42Å; M241-E243 VanDerWaalsContact O-N 3.14Å; M241-D244 PolarHBondContact O-N 2.88Å; M241-F245 HydrophobicContact CB-CE1 4.5Å; M241-F245 HydrophobicContact CB-CZ 3.99Å; M241-F245 WeakPolarHBondContact O-CD1 3.36Å; M241-F245 WeakPolarHBondContact O-CE1 3.46Å; M241-P268 HydrophobicContact CE-CG 3.54Å; M241-P268 HydrophobicContact SD-CG 4.08Å
242	Y	91.9	Very high	89.4	Confident	58 Å²	58	66.5 Å²	66.5	23%	0.227	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-64.6	-14.3	176.8	-91.5	-97.6	0	0	0	114	E238 A239 E240 D244 F245 Q247 A250 V254	E238-Y242 HydrophobicContact CG-CD2 3.81Å; E238-Y242 HydrophobicContact CG-CE2 3.67Å; E238-Y242 VanDerWaalsContact O-CD2 3.27Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 3.21Å; A239-Y242 PolarHBondContact O-N 3.11Å; E240-Y242 VanDerWaalsContact C-N 3.3Å; E240-Y242 PolarHBondContact O-N 3.02Å; Y242-D244 VanDerWaalsContact C-N 3.27Å; Y242-F245 AromaticContact CD1-CD2 3.91Å; Y242-F245 HydrophobicContact CD1-CD2 3.91Å; Y242-F245 HydrophobicContact CD1-CE2 4.39Å; Y242-F245 HydrophobicContact CD2-CD2 4.27Å; Y242-F245 AromaticContact CD2-CE2 3.96Å; Y242-F245 HydrophobicContact CD2-CE2 3.96Å; Y242-F245 HydrophobicContact CE1-CD2 4.25Å; Y242-F245 HydrophobicContact CE2-CE2 4.19Å; Y242-F245 AromaticContact CG-CD2 3.94Å; Y242-F245 HydrophobicContact CG-CD2 3.94Å; Y242-F245 HydrophobicContact CG-CE2 4.09Å; Y242-Q247 PolarHBondContact O-NE2 3.16Å; Y242-A250 HydrophobicContact CD1-CB 4.29Å; Y242-A250 HydrophobicContact CE1-CB 4.27Å; Y242-V254 HydrophobicContact CE1-CB 4.46Å; Y242-V254 HydrophobicContact CE1-CG1 4.4Å; Y242-V254 HydrophobicContact CE2-CG1 4.47Å; Y242-V254 PolarHBondContact OH-O 3.26Å
243	E	91.7	Very high	89.1	Confident	67 Å²	67	61 Å²	61	31%	0.313	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-73.8	-21.2	171.9	-58.9	175.7	153.3	0	0	113	R83 V84 R207 A239 E240 M241	R83-E243 HydrophobicContact CG-CB 4.05Å; V84-E243 PolarHBondContact N-O 2.63Å; V84-E243 VanDerWaalsContact N-O 3.11Å; R207-E243 IonicContact CZ-OE2 2.86Å; R207-E243 IonicContact NH1-OE2 3.89Å; R207-E243 PolarHBondContact NH1-OE2 3.22Å; R207-E243 IonicContact NH2-OE2 3.2Å; R207-E243 PolarHBondContact NH2-OE2 3.12Å; A239-E243 PolarHBondContact O-N 3.24Å; E240-E243 VanDerWaalsContact O-CB 3.29Å; E240-E243 WeakPolarHBondContact O-CB 3.37Å; E240-E243 PolarHBondContact O-N 3.05Å; E240-E243 VanDerWaalsContact O-N 3.08Å; M241-E243 PolarHBondContact O-N 3.42Å; M241-E243 VanDerWaalsContact O-N 3.14Å
244	D	93	Very high	89	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-96.1	1.6	179.2	-57.4	-35.8	0	0	0	111.8	R83 V84 R207 Y209 M241 Y242 T312	R83-D244 WeakPolarHBondContact CG-OD1 3.48Å; V84-D244 VanDerWaalsContact CG2-C 3.4Å; V84-D244 VanDerWaalsContact CG2-O 3.25Å; V84-D244 WeakPolarHBondContact CG2-O 3.47Å; R207-D244 WeakPolarHBondContact CD-OD2 3.44Å; R207-D244 IonicContact CZ-OD2 3.44Å; R207-D244 IonicContact NE-OD2 3.3Å; R207-D244 VanDerWaalsContact NH1-CG 3.3Å; R207-D244 IonicContact NH1-OD1 3.99Å; R207-D244 PolarHBondContact NH1-OD1 3.39Å; R207-D244 IonicContact NH1-OD2 2.72Å; R207-D244 PolarHBondContact NH1-OD2 3.37Å; Y209-D244 HydrophobicContact CE2-CB 4.47Å; Y209-D244 PolarHBondContact OH-OD2 3.46Å; M241-D244 PolarHBondContact O-N 2.88Å; Y242-D244 VanDerWaalsContact C-N 3.27Å; D244-T312 PolarHBondContact O-OG1 3.22Å
245	F	92	Very high	88.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-102	143.9	175.9	-51.8	-18	0	0	0	111.8	L226 M241 Y242 Q247 A250 V254 P268 V309 I310	L226-F245 HydrophobicContact CD1-CE1 3.67Å; L226-F245 HydrophobicContact CD1-CZ 3.46Å; L226-F245 VanDerWaalsContact CD1-CZ 3.46Å; L226-F245 HydrophobicContact CD2-CE1 3.65Å; L226-F245 HydrophobicContact CD2-CZ 3.7Å; L226-F245 HydrophobicContact CG-CE1 4.28Å; L226-F245 HydrophobicContact CG-CZ 4.09Å; M241-F245 HydrophobicContact CB-CE1 4.5Å; M241-F245 HydrophobicContact CB-CZ 3.99Å; M241-F245 WeakPolarHBondContact O-CD1 3.36Å; M241-F245 WeakPolarHBondContact O-CE1 3.46Å; Y242-F245 AromaticContact CD1-CD2 3.91Å; Y242-F245 HydrophobicContact CD1-CD2 3.91Å; Y242-F245 HydrophobicContact CD1-CE2 4.39Å; Y242-F245 HydrophobicContact CD2-CD2 4.27Å; Y242-F245 AromaticContact CD2-CE2 3.96Å; Y242-F245 HydrophobicContact CD2-CE2 3.96Å; Y242-F245 HydrophobicContact CE1-CD2 4.25Å; Y242-F245 HydrophobicContact CE2-CE2 4.19Å; Y242-F245 AromaticContact CG-CD2 3.94Å; Y242-F245 HydrophobicContact CG-CD2 3.94Å; Y242-F245 HydrophobicContact CG-CE2 4.09Å; F245-Q247 PolarHBondContact O-N 3.21Å; F245-Q247 PolarHBondContact O-NE2 3.37Å; F245-Q247 VanDerWaalsContact O-NE2 3.17Å; F245-A250 HydrophobicContact CB-CB 3.67Å; F245-A250 HydrophobicContact CD2-CB 4.2Å; F245-A250 HydrophobicContact CG-CB 4.44Å; F245-V254 HydrophobicContact CD2-CB 4.47Å; F245-V254 HydrophobicContact CD2-CG1 4.1Å; F245-V254 HydrophobicContact CD2-CG2 4.19Å; F245-V254 HydrophobicContact CE2-CG1 3.77Å; F245-P268 HydrophobicContact CE2-CB 4.04Å; F245-P268 HydrophobicContact CE2-CG 4.48Å; F245-P268 HydrophobicContact CZ-CB 4Å; F245-P268 HydrophobicContact CZ-CG 4.35Å; F245-V309 WeakPolarHBondContact CA-O 3.48Å; F245-I310 HydrophobicContact CD1-CG2 3.57Å; F245-I310 HydrophobicContact CE1-CG2 3.97Å; F245-I310 HydrophobicContact CG-CG2 4.42Å
246	S	90.2	Very high	88.7	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.028	25%	0.251	C	S	.	.			trans	-55.6	121.9	169	170.7	0	0	0	0	109.3	D248 H249 A250 A308 V309	S246-D248 PolarHBondContact O-N 2.89Å; S246-H249 PolarHBondContact O-N 2.77Å; S246-H249 PolarHBondContact OG-CD2 3.22Å; S246-H249 VanDerWaalsContact OG-CD2 3.24Å; S246-A250 WeakPolarHBondContact O-CA 3.5Å; S246-A250 WeakPolarHBondContact O-CB 3.34Å; S246-A250 PolarHBondContact O-N 3.01Å; S246-A308 WeakPolarHBondContact CB-O 3.29Å; S246-V309 PolarHBondContact N-O 3.17Å
247	Q	84.6	Confident	88.6	Confident	64 Å²	64	52.5 Å²	52.5	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-29	-175.8	-65.1	-60.2	-59.9	0	0	112.1	Y242 F245	Y242-Q247 PolarHBondContact O-NE2 3.16Å; F245-Q247 PolarHBondContact O-N 3.21Å; F245-Q247 PolarHBondContact O-NE2 3.37Å; F245-Q247 VanDerWaalsContact O-NE2 3.17Å
248	D	82.9	Confident	88.6	Confident	119 Å²	119	51.9 Å²	51.9	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-72.7	-37.9	179.9	-62.1	-42.4	0	0	0	111.8	S246	S246-D248 PolarHBondContact O-N 2.89Å
249	H	81.5	Confident	88.8	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-87.5	-41.9	177.9	-59.9	-60.2	0	0	0	112.7	S246 R251 K252 T253 A308 V309	S246-H249 PolarHBondContact O-N 2.77Å; S246-H249 PolarHBondContact OG-CD2 3.22Å; S246-H249 VanDerWaalsContact OG-CD2 3.24Å; H249-R251 VanDerWaalsContact C-N 3.3Å; H249-R251 PolarHBondContact O-N 2.95Å; H249-K252 PolarHBondContact O-N 2.74Å; H249-T253 PolarHBondContact O-N 3.06Å; H249-T253 PolarHBondContact O-OG1 3.5Å; H249-A308 PolarHBondContact CD2-O 2.84Å; H249-V309 HydrophobicContact CB-CB 4.35Å; H249-V309 HydrophobicContact CB-CG1 4.17Å; H249-V309 HydrophobicContact CB-CG2 4.02Å
250	A	80	Confident	88.9	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-42	-171.9	0	0	0	0	0	112.8	Y242 F245 S246 K252 V254	Y242-A250 HydrophobicContact CD1-CB 4.29Å; Y242-A250 HydrophobicContact CE1-CB 4.27Å; F245-A250 HydrophobicContact CB-CB 3.67Å; F245-A250 HydrophobicContact CD2-CB 4.2Å; F245-A250 HydrophobicContact CG-CB 4.44Å; S246-A250 WeakPolarHBondContact O-CA 3.5Å; S246-A250 WeakPolarHBondContact O-CB 3.34Å; S246-A250 PolarHBondContact O-N 3.01Å; A250-K252 PolarHBondContact O-N 2.78Å; A250-V254 HydrophobicContact CB-CG2 4.25Å; A250-V254 WeakPolarHBondContact O-CB 3.3Å; A250-V254 PolarHBondContact O-N 3.19Å
251	R	78.9	Confident	88.9	Confident	206 Å²	206	42.7 Å²	42.7	78%	0.777	21%	0.208	S	C	*	.	H	α-helix	trans	-66.4	-27	179.9	-68.8	-179.2	179.4	176.1	3	113.1	H249	H249-R251 VanDerWaalsContact C-N 3.3Å; H249-R251 PolarHBondContact O-N 2.95Å
252	K	82.2	Confident	89	Confident	106 Å²	106	44 Å²	44	46%	0.461	22%	0.215	S	C	.	.	H	α-helix	trans	-91.3	-35.5	-177.4	-62	-178.8	-175.4	177.1	0	112	G105 H249 A250	G105-K252 PolarHBondContact O-NZ 3.44Å; H249-K252 PolarHBondContact O-N 2.74Å; A250-K252 PolarHBondContact O-N 2.78Å
253	T	85.7	Confident	88.8	Confident	4 Å²	4	45 Å²	45	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-118.8	-22.3	-165.6	67.6	0	0	0	0	114.3	W107 H249 H271	W107-T253 HydrophobicContact CH2-CG2 3.24Å; W107-T253 HydrophobicContact CZ2-CG2 3.46Å; W107-T253 VanDerWaalsContact CZ2-CG2 3.46Å; W107-T253 HydrophobicContact CZ3-CG2 4.17Å; H249-T253 PolarHBondContact O-N 3.06Å; H249-T253 PolarHBondContact O-OG1 3.5Å; T253-H271 WeakPolarHBondContact O-CB 3.26Å; T253-H271 PolarHBondContact O-N 3.32Å
254	V	90.5	Very high	88.4	Confident	11 Å²	11	44.7 Å²	44.7	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.1	-173.9	-177.7	0	0	0	0	111.2	Y242 F245 A250 P268 S269 I270 V309	Y242-V254 HydrophobicContact CE1-CB 4.46Å; Y242-V254 HydrophobicContact CE1-CG1 4.4Å; Y242-V254 HydrophobicContact CE2-CG1 4.47Å; Y242-V254 PolarHBondContact OH-O 3.26Å; F245-V254 HydrophobicContact CD2-CB 4.47Å; F245-V254 HydrophobicContact CD2-CG1 4.1Å; F245-V254 HydrophobicContact CD2-CG2 4.19Å; F245-V254 HydrophobicContact CE2-CG1 3.77Å; A250-V254 HydrophobicContact CB-CG2 4.25Å; A250-V254 WeakPolarHBondContact O-CB 3.3Å; A250-V254 PolarHBondContact O-N 3.19Å; V254-P268 HydrophobicContact CG1-CB 3.9Å; V254-S269 WeakPolarHBondContact CA-O 3.35Å; V254-I270 HydrophobicContact CG2-CG1 4.29Å; V254-V309 HydrophobicContact CG2-CG1 3.96Å
255	T	90.4	Very high	87.8	Confident	49 Å²	49	51.6 Å²	51.6	30%	0.301	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.5	178.3	57	0	0	0	0	110.7	E257 P268 S269	T255-E257 PolarHBondContact OG1-OE1 3.22Å; T255-P268 CarbonylContact O-C 3.59Å; T255-P268 WeakPolarHBondContact O-CA 3.36Å; T255-S269 PolarHBondContact N-O 3.31Å; T255-S269 PolarHBondContact O-N 2.93Å
256	T	92.1	Very high	87.7	Confident	28 Å²	28	56.1 Å²	56.1	17%	0.172	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.3	177.9	-62.8	0	0	0	0	109.8	E238 M266	E238-T256 WeakPolarHBondContact OE1-CB 3.26Å; E238-T256 PolarHBondContact OE1-OG1 2.94Å; T256-M266 HydrophobicContact CG2-CB 3.54Å; T256-M266 HydrophobicContact CG2-CE 4.2Å; T256-M266 WeakPolarHBondContact O-CE 3.27Å
257	E	92.5	Very high	87.9	Confident	58 Å²	58	56.5 Å²	56.5	27%	0.271	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	170.2	-171	-71.5	-171.4	-146.8	0	0	111.9	R223 W225 T255 M266 M267 H271	R223-E257 IonicContact NH1-OE1 3.39Å; R223-E257 PolarHBondContact NH1-OE1 2.97Å; R223-E257 IonicContact NH1-OE2 2.8Å; R223-E257 PolarHBondContact NH1-OE2 3.06Å; W225-E257 HydrophobicContact CH2-CB 3.73Å; W225-E257 HydrophobicContact CZ3-CB 3.54Å; T255-E257 PolarHBondContact OG1-OE1 3.22Å; E257-M266 CarbonylContact O-C 3.54Å; E257-M266 WeakPolarHBondContact O-CA 3.46Å; E257-M267 PolarHBondContact N-O 2.68Å; E257-M267 PolarHBondContact O-N 3.13Å; E257-H271 IonicContact OE1-CD2 3.03Å
258	S	93.2	Very high	88.3	Confident	65 Å²	65	53.5 Å²	53.5	46%	0.455	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.5	174.2	-174.3	0	0	0	0	110.4	K60 W225	K60-S258 PolarHBondContact NZ-OG 2.76Å; W225-S258 WeakPolarHBondContact CH2-O 3.38Å
259	H	94.2	Very high	88.9	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	26%	0.257	C	S	.	.			trans	-60.1	132	179.3	-170.8	-91.3	0	0	0	111.6	K60 T214 W225 H261 L262 M267	K60-H259 PolarHBondContact NZ-O 2.92Å; T214-H259 WeakPolarHBondContact CG2-NE2 3.46Å; W225-H259 AromaticContact CD1-CD2 3.78Å; W225-H259 AromaticContact CD1-NE2 3.96Å; W225-H259 AromaticContact CD2-CD2 3.75Å; W225-H259 HydrophobicContact CE3-CB 4.46Å; W225-H259 AromaticContact CG-CD2 3.55Å; H259-H261 VanDerWaalsContact C-N 3.29Å; H259-H261 PolarHBondContact ND1-N 2.71Å; H259-H261 VanDerWaalsContact ND1-N 3.19Å; H259-H261 PolarHBondContact O-N 3.23Å; H259-L262 HydrophobicContact CB-CB 4.04Å; H259-L262 WeakPolarHBondContact ND1-CB 3.19Å; H259-L262 WeakPolarHBondContact ND1-CG 3.38Å; H259-L262 PolarHBondContact ND1-N 2.91Å; H259-L262 VanDerWaalsContact O-O 3.11Å; H259-M267 HydrophobicContact CB-SD 3.87Å
260	P	93.3	Very high	89.5	Confident	33 Å²	33	47.4 Å²	47.4	21%	0.214	26%	0.255	C	S	.	.	S	Bend	trans	-68.1	-26.1	-171.8	22.9	-32.3	0	0	0	113.8	K60 T214 W225	K60-P260 WeakPolarHBondContact CD-O 3.35Å; T214-P260 HydrophobicContact CG2-CG 3.86Å; W225-P260 HydrophobicContact CZ2-CG 4.17Å
261	H	93.7	Very high	90	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	26%	0.263	C	S	.	.	S	Bend	trans	-109.5	-8.3	-177.4	-55.5	-85.5	0	0	0	114.9	G58 D59 K60 Q71 Y72 H259	G58-H261 CarbonylContact C-O 3.58Å; G58-H261 WeakPolarHBondContact CA-O 3.48Å; D59-H261 PolarHBondContact N-O 3.07Å; K60-H261 PolarHBondContact N-O 3.16Å; K60-H261 VanDerWaalsContact N-O 3.14Å; Q71-H261 PolarHBondContact OE1-CE1 3.46Å; Y72-H261 HydrophobicContact CD1-CB 3.58Å; Y72-H261 AromaticContact CD1-CD2 3.88Å; Y72-H261 AromaticContact CD1-CG 3.72Å; Y72-H261 HydrophobicContact CE1-CB 3.67Å; H259-H261 VanDerWaalsContact C-N 3.29Å; H259-H261 PolarHBondContact ND1-N 2.71Å; H259-H261 VanDerWaalsContact ND1-N 3.19Å; H259-H261 PolarHBondContact O-N 3.23Å
262	L	93.7	Very high	90.4	Very high	34 Å²	34	39.5 Å²	39.5	18%	0.178	23%	0.226	C	C	.	.			trans	-120.3	132.1	-174.5	-65.1	173.4	0	0	0	110.4	D59 K60 Y212 H259	D59-L262 VanDerWaalsContact OD1-C 3.29Å; D59-L262 WeakPolarHBondContact OD1-CA 3.4Å; K60-L262 WeakPolarHBondContact CE-O 3.43Å; K60-L262 PolarHBondContact NZ-O 3.44Å; Y212-L262 HydrophobicContact CD1-CD1 3.82Å; Y212-L262 HydrophobicContact CE1-CD1 3.42Å; Y212-L262 VanDerWaalsContact CE1-CD1 3.42Å; H259-L262 HydrophobicContact CB-CB 4.04Å; H259-L262 WeakPolarHBondContact ND1-CB 3.19Å; H259-L262 WeakPolarHBondContact ND1-CG 3.38Å; H259-L262 PolarHBondContact ND1-N 2.91Å; H259-L262 VanDerWaalsContact O-O 3.11Å
263	S	88.9	Confident	90.6	Very high	78 Å²	78	37.1 Å²	37.1	55%	0.545	22%	0.222	S	C	.	.			trans	-80.2	141.7	166.3	78.4	0	0	0	0	109	D59	D59-S263 VanDerWaalsContact CG-N 3.3Å; D59-S263 PolarHBondContact OD1-N 3.18Å; D59-S263 VanDerWaalsContact OD2-CB 3.24Å; D59-S263 WeakPolarHBondContact OD2-CB 3.48Å; D59-S263 PolarHBondContact OD2-N 2.83Å; D59-S263 VanDerWaalsContact OD2-N 3.07Å; D59-S263 PolarHBondContact OD2-OG 3.27Å
264	G	83.6	Confident	90.6	Very high	61 Å²	61	42.3 Å²	42.3	63%	0.629	24%	0.242	S	C	*	.	S	Bend	trans	142.5	-158.1	-178.4	0	0	0	0	0	113.3
265	H	79.9	Confident	90.4	Very high	144 Å²	144	42.5 Å²	42.5	67%	0.667	24%	0.242	S	C	*	.	S	Bend	trans	-64.7	159.9	-176.4	-58.3	-69.5	0	0	0	112.1	Y227	Y227-H265 HydrophobicContact CE2-CB 4.4Å
266	M	90.2	Very high	90.4	Very high	95 Å²	95	41 Å²	41	47%	0.468	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.3	169.3	-57.4	-174.9	69.1	0	0	109	T256 E257	T256-M266 HydrophobicContact CG2-CB 3.54Å; T256-M266 HydrophobicContact CG2-CE 4.2Å; T256-M266 WeakPolarHBondContact O-CE 3.27Å; E257-M266 CarbonylContact O-C 3.54Å; E257-M266 WeakPolarHBondContact O-CA 3.46Å
267	M	93.5	Very high	90.4	Very high	13 Å²	13	42.1 Å²	42.1	6%	0.064	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.4	-175.5	-64	177.3	62.9	0	0	109.3	Y212 W225 Y227 E257 H259 S269	Y212-M267 HydrophobicContact CD2-CE 3.52Å; Y212-M267 HydrophobicContact CE2-CE 3.51Å; Y212-M267 HydrophobicContact CG-CE 4.46Å; W225-M267 HydrophobicContact CB-CE 4Å; W225-M267 HydrophobicContact CE3-CB 4.15Å; Y227-M267 HydrophobicContact CD2-CG 4.01Å; E257-M267 PolarHBondContact N-O 2.68Å; E257-M267 PolarHBondContact O-N 3.13Å; H259-M267 HydrophobicContact CB-SD 3.87Å; M267-S269 PolarHBondContact O-N 3.17Å
268	P	94.1	Very high	90.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	135.8	165.1	-22.5	33.5	0	0	0	110.8	W225 L226 M241 F245 V254 T255	W225-P268 WeakPolarHBondContact CA-O 3.01Å; L226-P268 HydrophobicContact CD1-CB 4.22Å; L226-P268 HydrophobicContact CD1-CG 4.32Å; L226-P268 HydrophobicContact CG-CB 4.23Å; L226-P268 PolarHBondContact N-O 2.94Å; L226-P268 VanDerWaalsContact N-O 3.15Å; M241-P268 HydrophobicContact CE-CG 3.54Å; M241-P268 HydrophobicContact SD-CG 4.08Å; F245-P268 HydrophobicContact CE2-CB 4.04Å; F245-P268 HydrophobicContact CE2-CG 4.48Å; F245-P268 HydrophobicContact CZ-CB 4Å; F245-P268 HydrophobicContact CZ-CG 4.35Å; V254-P268 HydrophobicContact CG1-CB 3.9Å; T255-P268 CarbonylContact O-C 3.59Å; T255-P268 WeakPolarHBondContact O-CA 3.36Å
269	S	95	Very high	90	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.5	178.8	-175.2	0	0	0	0	110.6	R223 L224 V254 T255 M267 H271	R223-S269 WeakPolarHBondContact CD-OG 3.42Å; R223-S269 VanDerWaalsContact CG-OG 3.28Å; R223-S269 WeakPolarHBondContact CG-OG 3.34Å; L224-S269 VanDerWaalsContact O-CA 3.23Å; L224-S269 WeakPolarHBondContact O-CA 3.46Å; L224-S269 WeakPolarHBondContact O-CB 3.31Å; L224-S269 PolarHBondContact O-OG 3.2Å; V254-S269 WeakPolarHBondContact CA-O 3.35Å; T255-S269 PolarHBondContact N-O 3.31Å; T255-S269 PolarHBondContact O-N 2.93Å; M267-S269 PolarHBondContact O-N 3.17Å; S269-H271 PolarHBondContact O-N 3.09Å
270	I	93.7	Very high	89.8	Confident	5 Å²	5	42 Å²	42	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.3	172	-57	177.8	0	0	0	107.6	L224 V254 V306 V309	L224-I270 HydrophobicContact CB-CB 4.43Å; L224-I270 HydrophobicContact CB-CD1 4.35Å; L224-I270 HydrophobicContact CD2-CD1 3.6Å; L224-I270 HydrophobicContact CD2-CG1 4.33Å; L224-I270 PolarHBondContact O-N 2.96Å; V254-I270 HydrophobicContact CG2-CG1 4.29Å; I270-V306 HydrophobicContact CD1-CB 4.46Å; I270-V306 HydrophobicContact CD1-CG1 3.94Å; I270-V306 HydrophobicContact CD1-CG2 4.13Å; I270-V309 HydrophobicContact CD1-CB 3.89Å; I270-V309 HydrophobicContact CD1-CG1 3.88Å; I270-V309 HydrophobicContact CD1-CG2 4.22Å; I270-V309 HydrophobicContact CG1-CG1 4.2Å
271	H	90.2	Very high	89.6	Confident	38 Å²	38	43.9 Å²	43.9	18%	0.176	24%	0.237	C	C	.	.			trans	-72.3	129.4	-171.8	-165.6	-87.7	0	0	0	111.4	Y219 T253 E257 S269 C273	Y219-H271 AromaticContact CE2-CE1 3.76Å; Y219-H271 AromaticContact CZ-CE1 3.73Å; Y219-H271 PolarHBondContact OH-CE1 2.75Å; T253-H271 WeakPolarHBondContact O-CB 3.26Å; T253-H271 PolarHBondContact O-N 3.32Å; E257-H271 IonicContact OE1-CD2 3.03Å; S269-H271 PolarHBondContact O-N 3.09Å; H271-C273 VanDerWaalsContact C-N 3.35Å; H271-C273 WeakPolarHBondContact ND1-CB 3.41Å; H271-C273 PolarHBondContact ND1-N 3.44Å; H271-C273 PolarHBondContact ND1-SG 3.35Å; H271-C273 PolarHBondContact O-N 3.22Å
272	P	88.2	Confident	89.3	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.013	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-84	2.6	-167.5	31.3	-36.2	0	0	0	115.5	D216 Y219 T221 R223 R274 Q275	D216-P272 HydrophobicContact CB-CG 4.29Å; Y219-P272 HydrophobicContact CD2-CB 4.49Å; Y219-P272 HydrophobicContact CD2-CG 3.53Å; Y219-P272 HydrophobicContact CE2-CG 4.18Å; Y219-P272 HydrophobicContact CG-CB 4.44Å; Y219-P272 HydrophobicContact CG-CG 3.93Å; T221-P272 VanDerWaalsContact OG1-CB 3.25Å; T221-P272 WeakPolarHBondContact OG1-CB 3.32Å; R223-P272 HydrophobicContact CB-CG 4.47Å; R223-P272 VanDerWaalsContact NH2-CD 3.3Å; P272-R274 VanDerWaalsContact C-N 3.26Å; P272-R274 PolarHBondContact O-N 3.27Å; P272-R274 VanDerWaalsContact O-N 3.07Å; P272-Q275 WeakPolarHBondContact O-CB 3.4Å; P272-Q275 PolarHBondContact O-N 2.78Å
273	C	85.9	Confident	88.9	Confident	56 Å²	56	43.3 Å²	43.3	38%	0.378	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-58.1	-30	-166.8	55.9	0	0	0	0	115.9	Y219 H271	Y219-C273 HydrophobicContact CD1-CB 4.46Å; Y219-C273 HydrophobicContact CE1-CB 3.74Å; H271-C273 VanDerWaalsContact C-N 3.35Å; H271-C273 WeakPolarHBondContact ND1-CB 3.41Å; H271-C273 PolarHBondContact ND1-N 3.44Å; H271-C273 PolarHBondContact ND1-SG 3.35Å; H271-C273 PolarHBondContact O-N 3.22Å
274	R	85.1	Confident	88.9	Confident	114 Å²	114	44.2 Å²	44.2	43%	0.43	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-101.9	-3	178	-64	-62.1	-168.3	166.2	7	113.1	W107 P272 A276 D277 V278	W107-R274 HydrophobicContact CD2-CB 4.37Å; W107-R274 HydrophobicContact CE3-CB 4.4Å; W107-R274 HydrophobicContact CH2-CB 3.74Å; W107-R274 HydrophobicContact CH2-CG 4.15Å; W107-R274 HydrophobicContact CZ2-CB 3.73Å; W107-R274 HydrophobicContact CZ2-CG 3.61Å; W107-R274 HydrophobicContact CZ3-CB 4.05Å; P272-R274 VanDerWaalsContact C-N 3.26Å; P272-R274 PolarHBondContact O-N 3.27Å; P272-R274 VanDerWaalsContact O-N 3.07Å; R274-A276 PolarHBondContact O-N 3.08Å; R274-D277 IonicContact NH1-OD2 2.76Å; R274-D277 PolarHBondContact O-N 2.76Å; R274-V278 WeakPolarHBondContact O-CG2 3.35Å; R274-V278 PolarHBondContact O-N 3.35Å
275	Q	88.2	Confident	89.1	Confident	14 Å²	14	42.7 Å²	42.7	7%	0.065	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-39.6	-171.5	-175.2	174.5	-31.8	0	0	112.7	T221 P222 P272 D277 V278 M279 F302	T221-Q275 HydrophobicContact CG2-CB 4.42Å; T221-Q275 HydrophobicContact CG2-CG 4.46Å; P222-Q275 VanDerWaalsContact CD-NE2 3.34Å; P222-Q275 PolarHBondContact O-NE2 2.97Å; P222-Q275 PolarHBondContact O-OE1 3.22Å; P272-Q275 WeakPolarHBondContact O-CB 3.4Å; P272-Q275 PolarHBondContact O-N 2.78Å; Q275-D277 VanDerWaalsContact C-N 3.35Å; Q275-V278 PolarHBondContact O-N 2.87Å; Q275-M279 VanDerWaalsContact O-CB 3.31Å; Q275-M279 WeakPolarHBondContact O-CB 3.37Å; Q275-M279 PolarHBondContact O-N 2.86Å; Q275-F302 VanDerWaalsContact CD-CD2 3.44Å; Q275-F302 VanDerWaalsContact CD-CE2 3.43Å; Q275-F302 HydrophobicContact CG-CD2 4.26Å
276	A	90.5	Very high	89.3	Confident	17 Å²	17	36 Å²	36	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-41.7	176.8	0	0	0	0	0	111.8	V33 T221 R274 M279 R280	V33-A276 HydrophobicContact CG1-CB 3.76Å; T221-A276 HydrophobicContact CG2-CB 4.11Å; R274-A276 PolarHBondContact O-N 3.08Å; A276-M279 PolarHBondContact O-N 3.2Å; A276-R280 WeakPolarHBondContact O-CB 3.41Å; A276-R280 PolarHBondContact O-N 3.5Å
277	D	90.4	Very high	89.1	Confident	52 Å²	52	34 Å²	34	28%	0.278	18%	0.179	S	C	.	.	H	α-helix	trans	-64.8	-44.9	177.4	-68.6	-39.9	0	0	0	111.9	R274 Q275 R280 K281	R274-D277 IonicContact NH1-OD2 2.76Å; R274-D277 PolarHBondContact O-N 2.76Å; Q275-D277 VanDerWaalsContact C-N 3.35Å; D277-R280 PolarHBondContact O-N 3.11Å; D277-R280 IonicContact OD1-CZ 2.94Å; D277-R280 VanDerWaalsContact OD1-CZ 3.3Å; D277-R280 IonicContact OD1-NH1 3.46Å; D277-R280 PolarHBondContact OD1-NH1 3.44Å; D277-R280 IonicContact OD1-NH2 3.07Å; D277-R280 PolarHBondContact OD1-NH2 2.93Å; D277-K281 WeakPolarHBondContact O-CG 3.42Å; D277-K281 PolarHBondContact O-N 3.37Å
278	V	87.8	Confident	88.8	Confident	48 Å²	48	40.3 Å²	40.3	29%	0.291	21%	0.213	S	C	.	.	H	α-helix	trans	-61.9	-45.5	176.6	174.2	0	0	0	0	110.7	W107 R274 Q275 R280 K281 L282 F305	W107-V278 HydrophobicContact CE3-CG2 4.14Å; W107-V278 HydrophobicContact CZ3-CG2 4.49Å; R274-V278 WeakPolarHBondContact O-CG2 3.35Å; R274-V278 PolarHBondContact O-N 3.35Å; Q275-V278 PolarHBondContact O-N 2.87Å; V278-R280 PolarHBondContact O-N 3.42Å; V278-K281 PolarHBondContact O-N 3.17Å; V278-L282 PolarHBondContact O-N 3.21Å; V278-F305 HydrophobicContact CG1-CD2 4.21Å
279	M	90.1	Very high	88.3	Confident	8 Å²	8	43.1 Å²	43.1	4%	0.039	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-41.8	178.5	-173.3	63.1	65.8	0	0	111.8	F28 Q275 A276 L282 I283 Y298 I301	F28-M279 HydrophobicContact CE2-CG 3.91Å; F28-M279 HydrophobicContact CE2-SD 4.07Å; Q275-M279 VanDerWaalsContact O-CB 3.31Å; Q275-M279 WeakPolarHBondContact O-CB 3.37Å; Q275-M279 PolarHBondContact O-N 2.86Å; A276-M279 PolarHBondContact O-N 3.2Å; M279-L282 PolarHBondContact O-N 2.74Å; M279-I283 HydrophobicContact CG-CD1 4.01Å; M279-I283 WeakPolarHBondContact O-CD1 3.48Å; M279-I283 VanDerWaalsContact O-CG1 3.22Å; M279-I283 WeakPolarHBondContact O-CG1 3.49Å; M279-I283 PolarHBondContact O-N 3.35Å; M279-Y298 HydrophobicContact CE-CD1 3.98Å; M279-Y298 HydrophobicContact CE-CD2 4.11Å; M279-Y298 HydrophobicContact CE-CE1 3.74Å; M279-Y298 HydrophobicContact CE-CE2 3.92Å; M279-Y298 HydrophobicContact CE-CG 4.13Å; M279-Y298 HydrophobicContact CG-CD2 4.26Å; M279-Y298 HydrophobicContact CG-CE2 3.65Å; M279-Y298 HydrophobicContact SD-CD2 4.35Å; M279-Y298 HydrophobicContact SD-CE2 4.24Å; M279-I301 HydrophobicContact CE-CB 4.02Å; M279-I301 HydrophobicContact CE-CG2 3.63Å; M279-I301 HydrophobicContact SD-CB 4.45Å; M279-I301 HydrophobicContact SD-CD1 4.37Å; M279-I301 HydrophobicContact SD-CG2 3.86Å
280	R	90.4	Very high	87.8	Confident	68 Å²	68	46.1 Å²	46.1	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-60.7	-50.9	176.2	-177.9	-176.3	64	-113.9	-1.9	111.5	E30 A276 D277 V278 L282 I283 E284	E30-R280 VanDerWaalsContact O-CD 3.29Å; E30-R280 WeakPolarHBondContact O-CD 3.46Å; A276-R280 WeakPolarHBondContact O-CB 3.41Å; A276-R280 PolarHBondContact O-N 3.5Å; D277-R280 PolarHBondContact O-N 3.11Å; D277-R280 IonicContact OD1-CZ 2.94Å; D277-R280 VanDerWaalsContact OD1-CZ 3.3Å; D277-R280 IonicContact OD1-NH1 3.46Å; D277-R280 PolarHBondContact OD1-NH1 3.44Å; D277-R280 IonicContact OD1-NH2 3.07Å; D277-R280 PolarHBondContact OD1-NH2 2.93Å; V278-R280 PolarHBondContact O-N 3.42Å; R280-L282 PolarHBondContact O-N 3.45Å; R280-I283 PolarHBondContact O-N 3.05Å; R280-I283 VanDerWaalsContact O-N 3.11Å; R280-E284 WeakPolarHBondContact CG-OE1 3.21Å; R280-E284 WeakPolarHBondContact O-CG 3.44Å; R280-E284 PolarHBondContact O-N 3.2Å
281	K	89.2	Confident	87.4	Confident	71 Å²	71	46.2 Å²	46.2	31%	0.309	28%	0.275	S	S	.	.	H	α-helix	trans	-57.2	-40.1	178	-73	-171.8	177.7	-168.9	0	111.3	L98 E99 D277 V278 E284 A285	L98-K281 HydrophobicContact CD1-CD 3.99Å; E99-K281 IonicContact OE2-NZ 3.18Å; E99-K281 PolarHBondContact OE2-NZ 3.22Å; D277-K281 WeakPolarHBondContact O-CG 3.42Å; D277-K281 PolarHBondContact O-N 3.37Å; V278-K281 PolarHBondContact O-N 3.17Å; K281-E284 PolarHBondContact O-N 2.86Å; K281-A285 WeakPolarHBondContact O-CB 3.31Å; K281-A285 PolarHBondContact O-N 3.3Å
282	L	86.8	Confident	87.2	Confident	15 Å²	15	50.7 Å²	50.7	8%	0.079	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-44.7	175.9	-177.5	66.8	0	0	0	112.4	H111 V278 M279 R280 E284 A285 V286 L293 I301	H111-L282 HydrophobicContact CB-CD1 3.82Å; H111-L282 VanDerWaalsContact CG-CD1 3.41Å; V278-L282 PolarHBondContact O-N 3.21Å; M279-L282 PolarHBondContact O-N 2.74Å; R280-L282 PolarHBondContact O-N 3.45Å; L282-E284 VanDerWaalsContact C-N 3.28Å; L282-E284 PolarHBondContact O-N 3.12Å; L282-A285 PolarHBondContact O-N 3.27Å; L282-V286 HydrophobicContact CD1-CG2 4.18Å; L282-V286 HydrophobicContact CG-CG2 4.32Å; L282-V286 WeakPolarHBondContact O-CB 3.39Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.42Å; L282-V286 PolarHBondContact O-N 2.82Å; L282-L293 HydrophobicContact CD2-CD1 4.15Å; L282-L293 HydrophobicContact CG-CD1 4.07Å; L282-I301 HydrophobicContact CD2-CB 4.46Å; L282-I301 HydrophobicContact CD2-CD1 4.34Å; L282-I301 HydrophobicContact CD2-CG2 3.18Å
283	I	86.5	Confident	87.2	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.046	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-42.4	177.6	-66.4	160.7	0	0	0	110.9	F28 M279 R280 V286 A287 L293	F28-I283 HydrophobicContact CD1-CD1 4.27Å; F28-I283 HydrophobicContact CD2-CD1 3.92Å; F28-I283 HydrophobicContact CE1-CD1 3.86Å; F28-I283 HydrophobicContact CE1-CG1 4.29Å; F28-I283 HydrophobicContact CE2-CD1 3.47Å; F28-I283 VanDerWaalsContact CE2-CD1 3.47Å; F28-I283 HydrophobicContact CE2-CG1 4.28Å; F28-I283 HydrophobicContact CG-CD1 4.3Å; F28-I283 HydrophobicContact CZ-CD1 3.45Å; F28-I283 VanDerWaalsContact CZ-CD1 3.45Å; F28-I283 HydrophobicContact CZ-CG1 3.85Å; F28-I283 VanDerWaalsContact O-CD1 3.25Å; F28-I283 WeakPolarHBondContact O-CD1 3.44Å; M279-I283 HydrophobicContact CG-CD1 4.01Å; M279-I283 WeakPolarHBondContact O-CD1 3.48Å; M279-I283 VanDerWaalsContact O-CG1 3.22Å; M279-I283 WeakPolarHBondContact O-CG1 3.49Å; M279-I283 PolarHBondContact O-N 3.35Å; R280-I283 PolarHBondContact O-N 3.05Å; R280-I283 VanDerWaalsContact O-N 3.11Å; I283-V286 PolarHBondContact O-N 2.91Å; I283-A287 WeakPolarHBondContact O-CB 3.5Å; I283-A287 PolarHBondContact O-N 3Å; I283-L293 HydrophobicContact CG1-CD1 3.95Å
284	E	88.3	Confident	87.4	Confident	97 Å²	97	50 Å²	50	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-50.4	175.4	-70.4	168.6	-177.7	0	0	111	R280 K281 L282 V286 A287 D288	R280-E284 WeakPolarHBondContact CG-OE1 3.21Å; R280-E284 WeakPolarHBondContact O-CG 3.44Å; R280-E284 PolarHBondContact O-N 3.2Å; K281-E284 PolarHBondContact O-N 2.86Å; L282-E284 VanDerWaalsContact C-N 3.28Å; L282-E284 PolarHBondContact O-N 3.12Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.15Å; E284-A287 WeakPolarHBondContact O-CB 3.33Å; E284-A287 PolarHBondContact O-N 2.55Å; E284-A287 VanDerWaalsContact O-N 3.13Å; E284-D288 PolarHBondContact O-N 2.95Å
285	A	87.5	Confident	87.8	Confident	29 Å²	29	46.3 Å²	46.3	24%	0.24	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-38.8	178.9	0	0	0	0	0	113.1	K281 L282 G289	K281-A285 WeakPolarHBondContact O-CB 3.31Å; K281-A285 PolarHBondContact O-N 3.3Å; L282-A285 PolarHBondContact O-N 3.27Å; A285-G289 PolarHBondContact O-N 2.9Å; A285-G289 VanDerWaalsContact O-N 3.16Å
286	V	84	Confident	88	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.03	29%	0.294	C	S	.	.	H	α-helix	trans	-68.2	-39.5	175.9	171.8	0	0	0	0	111.5	L282 I283 E284 G289 G290 A291 L293 L323	L282-V286 HydrophobicContact CD1-CG2 4.18Å; L282-V286 HydrophobicContact CG-CG2 4.32Å; L282-V286 WeakPolarHBondContact O-CB 3.39Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.42Å; L282-V286 PolarHBondContact O-N 2.82Å; I283-V286 PolarHBondContact O-N 2.91Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.15Å; V286-G289 CarbonylContact O-C 3.57Å; V286-G289 PolarHBondContact O-N 2.97Å; V286-G290 PolarHBondContact O-N 3.25Å; V286-A291 CarbonylContact C-O 3.6Å; V286-A291 HydrophobicContact CG1-CB 3.77Å; V286-A291 PolarHBondContact O-N 3.21Å; V286-A291 VanDerWaalsContact O-N 3.1Å; V286-L293 HydrophobicContact CB-CD1 4.2Å; V286-L293 HydrophobicContact CB-CG 4.01Å; V286-L293 HydrophobicContact CG1-CD2 4.12Å; V286-L293 HydrophobicContact CG1-CG 3.79Å; V286-L293 HydrophobicContact CG2-CD1 3.88Å; V286-L293 HydrophobicContact CG2-CD2 4.3Å; V286-L293 HydrophobicContact CG2-CG 4.01Å; V286-L323 HydrophobicContact CB-CD2 3.97Å; V286-L323 HydrophobicContact CG1-CD2 3.5Å; V286-L323 VanDerWaalsContact CG1-CD2 3.5Å; V286-L323 HydrophobicContact CG2-CD2 3.59Å
287	A	85.4	Confident	88	Confident	53 Å²	53	49.2 Å²	49.2	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-40.1	176.2	0	0	0	0	0	112.2	I283 E284 G289 G290 A291	I283-A287 WeakPolarHBondContact O-CB 3.5Å; I283-A287 PolarHBondContact O-N 3Å; E284-A287 WeakPolarHBondContact O-CB 3.33Å; E284-A287 PolarHBondContact O-N 2.55Å; E284-A287 VanDerWaalsContact O-N 3.13Å; A287-G289 PolarHBondContact O-N 2.93Å; A287-G290 PolarHBondContact O-N 3.09Å; A287-A291 WeakPolarHBondContact CA-O 3.28Å
288	D	88.1	Confident	88.2	Confident	144 Å²	144	46.8 Å²	46.8	77%	0.77	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-31.5	174.5	-72.9	-15.9	0	0	0	111.9	E284 G290	E284-D288 PolarHBondContact O-N 2.95Å; D288-G290 PolarHBondContact O-N 2.69Å
289	G	84.3	Confident	88.6	Confident	60 Å²	60	44.5 Å²	44.5	62%	0.619	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	2	171.6	0	0	0	0	0	115.1	A285 V286 A287 A291	A285-G289 PolarHBondContact O-N 2.9Å; A285-G289 VanDerWaalsContact O-N 3.16Å; V286-G289 CarbonylContact O-C 3.57Å; V286-G289 PolarHBondContact O-N 2.97Å; A287-G289 PolarHBondContact O-N 2.93Å; G289-A291 VanDerWaalsContact C-N 3.35Å
290	G	83.9	Confident	88.6	Confident	64 Å²	64	44.4 Å²	44.4	66%	0.66	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	7.8	177.9	0	0	0	0	0	115.3	V286 A287 D288	V286-G290 PolarHBondContact O-N 3.25Å; A287-G290 PolarHBondContact O-N 3.09Å; D288-G290 PolarHBondContact O-N 2.69Å
291	A	85.1	Confident	88.6	Confident	7 Å²	7	41.8 Å²	41.8	6%	0.058	26%	0.256	C	S	.	.			trans	-107.8	164.8	175.8	0	0	0	0	0	111.1	V286 A287 G289 L323 F326	V286-A291 CarbonylContact C-O 3.6Å; V286-A291 HydrophobicContact CG1-CB 3.77Å; V286-A291 PolarHBondContact O-N 3.21Å; V286-A291 VanDerWaalsContact O-N 3.1Å; A287-A291 WeakPolarHBondContact CA-O 3.28Å; G289-A291 VanDerWaalsContact C-N 3.35Å; A291-L323 HydrophobicContact CB-CD2 4.07Å; A291-F326 HydrophobicContact CB-CB 4.37Å
292	E	85.9	Confident	88.7	Confident	132 Å²	132	38.5 Å²	38.5	62%	0.617	24%	0.242	S	C	*	.			trans	-125.3	131.9	176.6	-70.2	-168.7	-174	0	0	111.5	R29	R29-E292 IonicContact CZ-OE2 3.81Å; R29-E292 IonicContact NH1-OE2 2.92Å; R29-E292 PolarHBondContact NH1-OE2 3.05Å; R29-E292 IonicContact NH2-OE2 3.26Å; R29-E292 PolarHBondContact NH2-OE2 3.39Å
293	L	87.3	Confident	89	Confident	16 Å²	16	37.8 Å²	37.8	8%	0.084	24%	0.238	C	C	.	.			trans	-83.1	129.1	169.7	-66.7	178.9	0	0	0	110.4	F28 L282 I283 V286 I301	F28-L293 HydrophobicContact CE1-CB 4.38Å; F28-L293 HydrophobicContact CZ-CB 4.3Å; L282-L293 HydrophobicContact CD2-CD1 4.15Å; L282-L293 HydrophobicContact CG-CD1 4.07Å; I283-L293 HydrophobicContact CG1-CD1 3.95Å; V286-L293 HydrophobicContact CB-CD1 4.2Å; V286-L293 HydrophobicContact CB-CG 4.01Å; V286-L293 HydrophobicContact CG1-CD2 4.12Å; V286-L293 HydrophobicContact CG1-CG 3.79Å; V286-L293 HydrophobicContact CG2-CD1 3.88Å; V286-L293 HydrophobicContact CG2-CD2 4.3Å; V286-L293 HydrophobicContact CG2-CG 4.01Å; L293-I301 HydrophobicContact CD1-CD1 3.64Å; L293-I301 HydrophobicContact CD2-CD1 3.86Å; L293-I301 HydrophobicContact CG-CD1 4.21Å
294	A	91.2	Very high	89.1	Confident	27 Å²	27	41.3 Å²	41.3	22%	0.223	25%	0.253	C	S	.	.			trans	-91.6	144.9	173.8	0	0	0	0	0	110.7	H296 Q297	A294-H296 WeakPolarHBondContact CB-CE1 3.48Å; A294-H296 PolarHBondContact O-N 2.85Å; A294-H296 VanDerWaalsContact O-N 3.14Å; A294-Q297 HydrophobicContact CB-CG 4.41Å; A294-Q297 WeakPolarHBondContact O-CB 3.29Å; A294-Q297 PolarHBondContact O-N 2.77Å
295	V	93	Very high	88.9	Confident	37 Å²	37	37.6 Å²	37.6	22%	0.224	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-60.1	-30.3	-176	70.4	0	0	0	0	113.6	F28 I34 E38 Q297 Y298	F28-V295 HydrophobicContact CB-CG2 4.05Å; F28-V295 HydrophobicContact CD1-CB 3.98Å; F28-V295 HydrophobicContact CD1-CG2 4.23Å; F28-V295 HydrophobicContact CD2-CG2 4.26Å; F28-V295 HydrophobicContact CE1-CB 4.42Å; F28-V295 HydrophobicContact CG-CB 4.17Å; F28-V295 HydrophobicContact CG-CG2 3.9Å; I34-V295 HydrophobicContact CG2-CG2 3.81Å; E38-V295 HydrophobicContact CB-CG2 3.78Å; E38-V295 HydrophobicContact CG-CG1 4.36Å; E38-V295 HydrophobicContact CG-CG2 3.8Å; V295-Q297 PolarHBondContact O-N 2.98Å; V295-Y298 WeakPolarHBondContact O-CB 3.26Å; V295-Y298 PolarHBondContact O-N 2.94Å; V295-Y298 VanDerWaalsContact O-N 3.1Å
296	H	91.7	Very high	89	Confident	68 Å²	68	36.2 Å²	36.2	32%	0.315	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-67.3	-17.7	177	63.3	-101.7	0	0	0	112.9	A42 F45 A294 Y298	A42-H296 WeakPolarHBondContact CA-O 3.03Å; F45-H296 HydrophobicContact CB-CB 4.1Å; F45-H296 WeakPolarHBondContact CB-O 3.31Å; F45-H296 VanDerWaalsContact CD1-O 3.32Å; F45-H296 WeakPolarHBondContact CD1-O 3.29Å; F45-H296 HydrophobicContact CD2-CB 4.28Å; F45-H296 AromaticContact CD2-CD2 3.25Å; F45-H296 WeakPolarHBondContact CD2-CD2 3.48Å; F45-H296 AromaticContact CD2-CG 3.99Å; F45-H296 AromaticContact CE2-CD2 3.21Å; F45-H296 WeakPolarHBondContact CE2-CD2 3.3Å; F45-H296 AromaticContact CE2-NE2 3.59Å; F45-H296 HydrophobicContact CG-CB 4.21Å; F45-H296 AromaticContact CG-CD2 3.68Å; F45-H296 WeakPolarHBondContact CG-O 3.45Å; F45-H296 AromaticContact CZ-CD2 3.65Å; F45-H296 AromaticContact CZ-NE2 4Å; A294-H296 WeakPolarHBondContact CB-CE1 3.48Å; A294-H296 PolarHBondContact O-N 2.85Å; A294-H296 VanDerWaalsContact O-N 3.14Å; H296-Y298 VanDerWaalsContact C-N 3.3Å
297	Q	91.4	Very high	89.3	Confident	24 Å²	24	37.6 Å²	37.6	11%	0.112	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-83.6	-6.2	175.8	-59.5	170.7	-28.8	0	0	112.5	F45 A294 V295 L299 M300 I301 F321	F45-Q297 HydrophobicContact CE1-CG 4.33Å; F45-Q297 HydrophobicContact CZ-CG 4.4Å; A294-Q297 HydrophobicContact CB-CG 4.41Å; A294-Q297 WeakPolarHBondContact O-CB 3.29Å; A294-Q297 PolarHBondContact O-N 2.77Å; V295-Q297 PolarHBondContact O-N 2.98Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.11Å; Q297-M300 WeakPolarHBondContact O-CB 3.33Å; Q297-M300 PolarHBondContact O-N 2.94Å; Q297-I301 HydrophobicContact CB-CD1 4.47Å; Q297-I301 PolarHBondContact O-N 3.05Å; Q297-F321 HydrophobicContact CB-CE1 4.32Å; Q297-F321 HydrophobicContact CB-CZ 4.31Å; Q297-F321 HydrophobicContact CG-CE1 4.13Å; Q297-F321 HydrophobicContact CG-CZ 4.44Å
298	Y	94.5	Very high	89.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-49.4	-48.2	-173.7	-169.4	-68.9	0	0	0	112.9	F28 G32 I34 P222 M279 V295 H296 M300 I301 F302	F28-Y298 AromaticContact CD2-CD2 3.53Å; F28-Y298 HydrophobicContact CD2-CD2 3.53Å; F28-Y298 AromaticContact CD2-CE2 3.83Å; F28-Y298 HydrophobicContact CD2-CE2 3.83Å; F28-Y298 AromaticContact CE2-CD2 3.32Å; F28-Y298 HydrophobicContact CE2-CD2 3.32Å; F28-Y298 AromaticContact CE2-CE2 3.82Å; F28-Y298 HydrophobicContact CE2-CE2 3.82Å; F28-Y298 HydrophobicContact CE2-CG 4.37Å; F28-Y298 HydrophobicContact CZ-CD2 4.45Å; G32-Y298 VanDerWaalsContact O-CE2 3.24Å; G32-Y298 WeakPolarHBondContact O-CE2 3.35Å; G32-Y298 PolarHBondContact O-OH 2.79Å; I34-Y298 HydrophobicContact CB-CD2 4.47Å; I34-Y298 HydrophobicContact CB-CE2 4.45Å; I34-Y298 HydrophobicContact CD1-CD1 4.01Å; I34-Y298 HydrophobicContact CD1-CD2 4.26Å; I34-Y298 HydrophobicContact CD1-CE1 4.21Å; I34-Y298 HydrophobicContact CD1-CE2 4.42Å; I34-Y298 HydrophobicContact CD1-CG 4.07Å; I34-Y298 HydrophobicContact CG1-CD2 4.49Å; I34-Y298 HydrophobicContact CG1-CE2 4.3Å; I34-Y298 HydrophobicContact CG2-CD2 3.25Å; I34-Y298 HydrophobicContact CG2-CE2 3.46Å; I34-Y298 VanDerWaalsContact CG2-CE2 3.46Å; I34-Y298 HydrophobicContact CG2-CG 4.02Å; P222-Y298 HydrophobicContact CG-CD1 3.73Å; P222-Y298 HydrophobicContact CG-CE1 3.44Å; P222-Y298 VanDerWaalsContact CG-CE1 3.44Å; M279-Y298 HydrophobicContact CE-CD1 3.98Å; M279-Y298 HydrophobicContact CE-CD2 4.11Å; M279-Y298 HydrophobicContact CE-CE1 3.74Å; M279-Y298 HydrophobicContact CE-CE2 3.92Å; M279-Y298 HydrophobicContact CE-CG 4.13Å; M279-Y298 HydrophobicContact CG-CD2 4.26Å; M279-Y298 HydrophobicContact CG-CE2 3.65Å; M279-Y298 HydrophobicContact SD-CD2 4.35Å; M279-Y298 HydrophobicContact SD-CE2 4.24Å; V295-Y298 WeakPolarHBondContact O-CB 3.26Å; V295-Y298 PolarHBondContact O-N 2.94Å; V295-Y298 VanDerWaalsContact O-N 3.1Å; H296-Y298 VanDerWaalsContact C-N 3.3Å; Y298-M300 VanDerWaalsContact C-N 3.35Å; Y298-M300 PolarHBondContact O-N 3.14Å; Y298-I301 PolarHBondContact O-N 2.96Å; Y298-F302 HydrophobicContact CD1-CB 4.35Å; Y298-F302 HydrophobicContact CE1-CB 4.37Å; Y298-F302 WeakPolarHBondContact O-CB 3.43Å; Y298-F302 PolarHBondContact O-N 3.28Å
299	L	95.2	Very high	89.4	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-32.5	-176.4	-71.6	-175.5	0	0	0	113	F39 A42 G43 L46 L73 I213 P222 Q297 I301 F302 L303	F39-L299 HydrophobicContact CD2-CD2 4.46Å; F39-L299 HydrophobicContact CE2-CD2 4.27Å; A42-L299 HydrophobicContact CB-CB 4.41Å; A42-L299 HydrophobicContact CB-CD1 4.18Å; A42-L299 HydrophobicContact CB-CG 3.84Å; G43-L299 VanDerWaalsContact CA-CD1 3.49Å; L46-L299 HydrophobicContact CB-CB 4.46Å; L46-L299 HydrophobicContact CB-CD1 4.38Å; L46-L299 HydrophobicContact CD2-CB 4.27Å; L46-L299 HydrophobicContact CD2-CD1 4.09Å; L73-L299 HydrophobicContact CD1-CD1 3.4Å; I213-L299 HydrophobicContact CG2-CD2 4.08Å; P222-L299 HydrophobicContact CB-CD2 3.77Å; P222-L299 HydrophobicContact CG-CD2 3.41Å; P222-L299 VanDerWaalsContact CG-CD2 3.41Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.11Å; L299-I301 VanDerWaalsContact C-N 3.34Å; L299-F302 HydrophobicContact CD2-CD1 4.27Å; L299-F302 PolarHBondContact O-N 3.42Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 VanDerWaalsContact O-CG 3.23Å; L299-L303 WeakPolarHBondContact O-CG 3.29Å; L299-L303 PolarHBondContact O-N 3.1Å
300	M	91	Very high	89.8	Confident	6 Å²	6	26 Å²	26	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-42.6	175.4	-65.3	-64.3	-164.3	0	0	111	F45 L46 H49 Q297 Y298 L303 K304 F321	F45-M300 HydrophobicContact CD1-CE 4.41Å; F45-M300 HydrophobicContact CD1-CG 4.36Å; F45-M300 HydrophobicContact CE1-CE 4.35Å; F45-M300 HydrophobicContact CE1-CG 4.21Å; L46-M300 HydrophobicContact CD1-CE 3.79Å; L46-M300 HydrophobicContact CD1-SD 3.57Å; L46-M300 VanDerWaalsContact CD1-SD 3.57Å; H49-M300 HydrophobicContact CB-CE 3.43Å; H49-M300 VanDerWaalsContact CB-CE 3.43Å; Q297-M300 WeakPolarHBondContact O-CB 3.33Å; Q297-M300 PolarHBondContact O-N 2.94Å; Y298-M300 VanDerWaalsContact C-N 3.35Å; Y298-M300 PolarHBondContact O-N 3.14Å; M300-L303 PolarHBondContact O-N 3.25Å; M300-K304 PolarHBondContact O-N 2.7Å; M300-F321 HydrophobicContact CB-CE2 3.75Å; M300-F321 HydrophobicContact CB-CZ 3.8Å; M300-F321 HydrophobicContact CG-CZ 4.29Å
301	I	89.8	Confident	90.2	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.067	12%	0.123	C	C	.	.	H	α-helix	trans	-66.1	-45.9	176.7	-62.6	171	0	0	0	110.7	M279 L282 L293 Q297 Y298 L299 L303 K304 F305	M279-I301 HydrophobicContact CE-CB 4.02Å; M279-I301 HydrophobicContact CE-CG2 3.63Å; M279-I301 HydrophobicContact SD-CB 4.45Å; M279-I301 HydrophobicContact SD-CD1 4.37Å; M279-I301 HydrophobicContact SD-CG2 3.86Å; L282-I301 HydrophobicContact CD2-CB 4.46Å; L282-I301 HydrophobicContact CD2-CD1 4.34Å; L282-I301 HydrophobicContact CD2-CG2 3.18Å; L293-I301 HydrophobicContact CD1-CD1 3.64Å; L293-I301 HydrophobicContact CD2-CD1 3.86Å; L293-I301 HydrophobicContact CG-CD1 4.21Å; Q297-I301 HydrophobicContact CB-CD1 4.47Å; Q297-I301 PolarHBondContact O-N 3.05Å; Y298-I301 PolarHBondContact O-N 2.96Å; L299-I301 VanDerWaalsContact C-N 3.34Å; I301-L303 VanDerWaalsContact C-N 3.26Å; I301-L303 PolarHBondContact O-N 3.07Å; I301-K304 WeakPolarHBondContact O-CB 3.25Å; I301-K304 PolarHBondContact O-N 3.43Å; I301-F305 PolarHBondContact O-N 3.19Å; I301-F305 VanDerWaalsContact O-N 3.08Å
302	F	92.8	Very high	90.5	Very high	3 Å²	3	23.9 Å²	23.9	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-55.7	-44	175.4	168.1	-112.1	0	0	0	111.5	I213 P222 L224 Q275 Y298 L299 K304 F305 V306	I213-F302 HydrophobicContact CD1-CE1 4.39Å; I213-F302 HydrophobicContact CG1-CE1 4.35Å; I213-F302 HydrophobicContact CG2-CE1 4.23Å; P222-F302 HydrophobicContact CB-CD1 4.04Å; P222-F302 HydrophobicContact CB-CE1 3.99Å; P222-F302 HydrophobicContact CB-CG 4.33Å; P222-F302 HydrophobicContact CB-CZ 4.23Å; L224-F302 HydrophobicContact CB-CE1 4.32Å; L224-F302 HydrophobicContact CB-CZ 3.95Å; Q275-F302 VanDerWaalsContact CD-CD2 3.44Å; Q275-F302 VanDerWaalsContact CD-CE2 3.43Å; Q275-F302 HydrophobicContact CG-CD2 4.26Å; Y298-F302 HydrophobicContact CD1-CB 4.35Å; Y298-F302 HydrophobicContact CE1-CB 4.37Å; Y298-F302 WeakPolarHBondContact O-CB 3.43Å; Y298-F302 PolarHBondContact O-N 3.28Å; L299-F302 HydrophobicContact CD2-CD1 4.27Å; L299-F302 PolarHBondContact O-N 3.42Å; F302-K304 VanDerWaalsContact C-N 3.31Å; F302-K304 PolarHBondContact O-N 3.01Å; F302-F305 WeakPolarHBondContact O-CB 3.09Å; F302-F305 PolarHBondContact O-N 3.38Å; F302-V306 HydrophobicContact CD1-CG2 4.43Å; F302-V306 HydrophobicContact CD2-CG2 4.25Å; F302-V306 HydrophobicContact CE1-CG2 4.01Å; F302-V306 HydrophobicContact CE2-CG2 3.81Å; F302-V306 HydrophobicContact CZ-CG2 3.69Å; F302-V306 WeakPolarHBondContact O-CG2 3.19Å; F302-V306 PolarHBondContact O-N 2.88Å
303	L	93.2	Very high	90.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.7	-33.1	176.5	-78	178.6	0	0	0	112.8	L46 W53 I213 L299 M300 I301 V306 Q307 Y315 Y317	L46-L303 HydrophobicContact CD1-CD1 3.74Å; L46-L303 HydrophobicContact CD2-CD1 4.03Å; W53-L303 HydrophobicContact CH2-CD2 4.2Å; W53-L303 HydrophobicContact CZ2-CD1 3.95Å; W53-L303 HydrophobicContact CZ2-CD2 3.73Å; I213-L303 HydrophobicContact CD1-CD2 4.01Å; I213-L303 HydrophobicContact CD1-CG 4.41Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 VanDerWaalsContact O-CG 3.23Å; L299-L303 WeakPolarHBondContact O-CG 3.29Å; L299-L303 PolarHBondContact O-N 3.1Å; M300-L303 PolarHBondContact O-N 3.25Å; I301-L303 VanDerWaalsContact C-N 3.26Å; I301-L303 PolarHBondContact O-N 3.07Å; L303-V306 PolarHBondContact O-N 3.31Å; L303-Q307 PolarHBondContact O-N 3.45Å; L303-Y315 HydrophobicContact CB-CE2 3.93Å; L303-Y315 HydrophobicContact CD2-CD2 4.09Å; L303-Y315 HydrophobicContact CD2-CE2 3.67Å; L303-Y315 HydrophobicContact CG-CE2 4.24Å; L303-Y315 PolarHBondContact O-OH 3.08Å; L303-Y317 HydrophobicContact CB-CG 4.37Å
304	K	87	Confident	91.1	Very high	82 Å²	82	22.2 Å²	22.2	36%	0.357	11%	0.114	S	C	.	.	H	α-helix	trans	-63.7	-43.3	171.3	-172.6	-177.7	174	-163.1	0	111.7	T110 H111 M300 I301 F302 V306 Q307	T110-K304 PolarHBondContact O-NZ 3.11Å; H111-K304 PolarHBondContact CE1-NZ 3.36Å; H111-K304 PolarHBondContact ND1-NZ 3.48Å; H111-K304 PolarHBondContact NE2-NZ 2.97Å; M300-K304 PolarHBondContact O-N 2.7Å; I301-K304 WeakPolarHBondContact O-CB 3.25Å; I301-K304 PolarHBondContact O-N 3.43Å; F302-K304 VanDerWaalsContact C-N 3.31Å; F302-K304 PolarHBondContact O-N 3.01Å; K304-V306 VanDerWaalsContact C-N 3.34Å; K304-V306 PolarHBondContact O-N 3.15Å; K304-Q307 WeakPolarHBondContact O-CB 3.4Å; K304-Q307 PolarHBondContact O-N 2.95Å
305	F	84.4	Confident	91.1	Very high	20 Å²	20	21.3 Å²	21.3	9%	0.088	11%	0.105	C	C	.	.	H	α-helix	trans	-63.1	-41.2	175.8	170.7	-95.9	0	0	0	112	W107 V278 I301 F302 Q307 A308 V309	W107-F305 HydrophobicContact CE3-CE2 4Å; W107-F305 AromaticContact CE3-CZ 3.92Å; W107-F305 HydrophobicContact CE3-CZ 3.92Å; W107-F305 HydrophobicContact CH2-CZ 4.26Å; W107-F305 HydrophobicContact CZ3-CE1 4.17Å; W107-F305 AromaticContact CZ3-CE2 3.83Å; W107-F305 HydrophobicContact CZ3-CE2 3.83Å; W107-F305 AromaticContact CZ3-CZ 3.28Å; W107-F305 HydrophobicContact CZ3-CZ 3.28Å; V278-F305 HydrophobicContact CG1-CD2 4.21Å; I301-F305 PolarHBondContact O-N 3.19Å; I301-F305 VanDerWaalsContact O-N 3.08Å; F302-F305 WeakPolarHBondContact O-CB 3.09Å; F302-F305 PolarHBondContact O-N 3.38Å; F305-Q307 PolarHBondContact O-N 2.94Å; F305-A308 WeakPolarHBondContact O-CB 3.47Å; F305-A308 PolarHBondContact O-N 3.06Å; F305-A308 VanDerWaalsContact O-N 3.15Å; F305-V309 HydrophobicContact CE1-CG2 4.37Å; F305-V309 HydrophobicContact CZ-CG2 4.43Å
306	V	90.4	Very high	90.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.6	-32.7	176.5	165.1	0	0	0	0	111.8	L224 I270 F302 L303 K304 A308 V309 I310 Y315	L224-V306 HydrophobicContact CD2-CB 4.45Å; L224-V306 HydrophobicContact CD2-CG1 3.39Å; L224-V306 HydrophobicContact CD2-CG2 4.16Å; I270-V306 HydrophobicContact CD1-CB 4.46Å; I270-V306 HydrophobicContact CD1-CG1 3.94Å; I270-V306 HydrophobicContact CD1-CG2 4.13Å; F302-V306 HydrophobicContact CD1-CG2 4.43Å; F302-V306 HydrophobicContact CD2-CG2 4.25Å; F302-V306 HydrophobicContact CE1-CG2 4.01Å; F302-V306 HydrophobicContact CE2-CG2 3.81Å; F302-V306 HydrophobicContact CZ-CG2 3.69Å; F302-V306 WeakPolarHBondContact O-CG2 3.19Å; F302-V306 PolarHBondContact O-N 2.88Å; L303-V306 PolarHBondContact O-N 3.31Å; K304-V306 VanDerWaalsContact C-N 3.34Å; K304-V306 PolarHBondContact O-N 3.15Å; V306-A308 PolarHBondContact O-N 2.98Å; V306-V309 WeakPolarHBondContact O-CA 2.98Å; V306-V309 WeakPolarHBondContact O-CB 3.43Å; V306-V309 PolarHBondContact O-N 3.37Å; V306-I310 HydrophobicContact CG1-CD1 3.53Å; V306-I310 HydrophobicContact CG1-CG1 3.55Å; V306-I310 VanDerWaalsContact O-CG1 3.31Å; V306-I310 WeakPolarHBondContact O-CG1 3.4Å; V306-I310 PolarHBondContact O-N 3.41Å; V306-Y315 WeakPolarHBondContact CB-OH 3.15Å; V306-Y315 HydrophobicContact CG1-CE1 4.2Å; V306-Y315 VanDerWaalsContact CG1-OH 3.26Å; V306-Y315 WeakPolarHBondContact CG1-OH 3.33Å
307	Q	89.2	Confident	90	Very high	34 Å²	34	21.4 Å²	21.4	16%	0.159	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-30.4	-179.8	-165.7	70.5	19.4	0	0	112	L303 K304 F305 V309 I310 P311 Y315 Y317	L303-Q307 PolarHBondContact O-N 3.45Å; K304-Q307 WeakPolarHBondContact O-CB 3.4Å; K304-Q307 PolarHBondContact O-N 2.95Å; F305-Q307 PolarHBondContact O-N 2.94Å; Q307-V309 VanDerWaalsContact C-N 3.25Å; Q307-V309 PolarHBondContact O-N 3.3Å; Q307-I310 CarbonylContact O-C 3.59Å; Q307-I310 PolarHBondContact O-N 3.42Å; Q307-P311 PolarHBondContact NE2-O 3.36Å; Q307-P311 WeakPolarHBondContact O-CA 3.43Å; Q307-P311 WeakPolarHBondContact O-CB 3.18Å; Q307-P311 VanDerWaalsContact O-N 3.08Å; Q307-Y315 WeakPolarHBondContact CA-OH 3.41Å; Q307-Y315 PolarHBondContact N-OH 3.01Å; Q307-Y315 VanDerWaalsContact OE1-CE1 3.25Å; Q307-Y315 PolarHBondContact OE1-OH 3.04Å; Q307-Y315 VanDerWaalsContact OE1-OH 3.11Å; Q307-Y317 HydrophobicContact CG-CE1 4.34Å; Q307-Y317 WeakPolarHBondContact CG-OH 3.34Å; Q307-Y317 VanDerWaalsContact OE1-CE1 3.29Å
308	A	86.2	Confident	88.6	Confident	13 Å²	13	24.8 Å²	24.8	11%	0.107	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-32.8	173.7	0	0	0	0	0	112	T110 S246 H249 F305 V306	T110-A308 HydrophobicContact CG2-CB 4.05Å; S246-A308 WeakPolarHBondContact CB-O 3.29Å; H249-A308 PolarHBondContact CD2-O 2.84Å; F305-A308 WeakPolarHBondContact O-CB 3.47Å; F305-A308 PolarHBondContact O-N 3.06Å; F305-A308 VanDerWaalsContact O-N 3.15Å; V306-A308 PolarHBondContact O-N 2.98Å
309	V	89.7	Confident	86.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-80.7	-37.7	179.5	-170.8	0	0	0	0	111.8	F245 S246 H249 V254 I270 F305 V306 Q307 P311	F245-V309 WeakPolarHBondContact CA-O 3.48Å; S246-V309 PolarHBondContact N-O 3.17Å; H249-V309 HydrophobicContact CB-CB 4.35Å; H249-V309 HydrophobicContact CB-CG1 4.17Å; H249-V309 HydrophobicContact CB-CG2 4.02Å; V254-V309 HydrophobicContact CG2-CG1 3.96Å; I270-V309 HydrophobicContact CD1-CB 3.89Å; I270-V309 HydrophobicContact CD1-CG1 3.88Å; I270-V309 HydrophobicContact CD1-CG2 4.22Å; I270-V309 HydrophobicContact CG1-CG1 4.2Å; F305-V309 HydrophobicContact CE1-CG2 4.37Å; F305-V309 HydrophobicContact CZ-CG2 4.43Å; V306-V309 WeakPolarHBondContact O-CA 2.98Å; V306-V309 WeakPolarHBondContact O-CB 3.43Å; V306-V309 PolarHBondContact O-N 3.37Å; Q307-V309 VanDerWaalsContact C-N 3.25Å; Q307-V309 PolarHBondContact O-N 3.3Å; V309-P311 VanDerWaalsContact C-CD 3.46Å; V309-P311 WeakPolarHBondContact O-CD 3.08Å
310	I	92.7	Very high	84.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-127	62.1	-176	53.6	166.5	0	0	0	112.1	L224 L226 F245 V306 Q307 T312 I313 Y315	L224-I310 HydrophobicContact CD2-CD1 4.03Å; L226-I310 HydrophobicContact CD2-CG2 4.33Å; F245-I310 HydrophobicContact CD1-CG2 3.57Å; F245-I310 HydrophobicContact CE1-CG2 3.97Å; F245-I310 HydrophobicContact CG-CG2 4.42Å; V306-I310 HydrophobicContact CG1-CD1 3.53Å; V306-I310 HydrophobicContact CG1-CG1 3.55Å; V306-I310 VanDerWaalsContact O-CG1 3.31Å; V306-I310 WeakPolarHBondContact O-CG1 3.4Å; V306-I310 PolarHBondContact O-N 3.41Å; Q307-I310 CarbonylContact O-C 3.59Å; Q307-I310 PolarHBondContact O-N 3.42Å; I310-T312 PolarHBondContact O-N 3.08Å; I310-T312 VanDerWaalsContact O-N 3.12Å; I310-I313 HydrophobicContact CB-CB 4.4Å; I310-I313 HydrophobicContact CB-CD1 3.9Å; I310-I313 HydrophobicContact CB-CG1 4.16Å; I310-I313 HydrophobicContact CD1-CB 4.25Å; I310-I313 HydrophobicContact CD1-CD1 4.04Å; I310-I313 HydrophobicContact CG2-CD1 4.11Å; I310-I313 PolarHBondContact O-N 2.88Å; I310-Y315 HydrophobicContact CD1-CD1 4.26Å; I310-Y315 HydrophobicContact CD1-CE1 3.64Å; I310-Y315 HydrophobicContact CG1-CE1 4.06Å
311	P	91.7	Very high	82.4	Confident	20 Å²	20	43.5 Å²	43.5	13%	0.13	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.1	-167.4	28.4	-37.4	0	0	0	113.8	V84 M87 Q307 V309	V84-P311 HydrophobicContact CG2-CG 3.91Å; M87-P311 HydrophobicContact CE-CB 4.09Å; M87-P311 HydrophobicContact SD-CB 3.88Å; M87-P311 HydrophobicContact SD-CG 3.78Å; Q307-P311 PolarHBondContact NE2-O 3.36Å; Q307-P311 WeakPolarHBondContact O-CA 3.43Å; Q307-P311 WeakPolarHBondContact O-CB 3.18Å; Q307-P311 VanDerWaalsContact O-N 3.08Å; V309-P311 VanDerWaalsContact C-CD 3.46Å; V309-P311 WeakPolarHBondContact O-CD 3.08Å
312	T	92.1	Very high	80	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.037	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-6.9	-177.6	56	0	0	0	0	114.3	C80 K82 V84 M87 D244 I310	C80-T312 PolarHBondContact SG-OG1 2.84Å; K82-T312 HydrophobicContact CB-CG2 4.48Å; K82-T312 WeakPolarHBondContact O-CB 3.09Å; K82-T312 WeakPolarHBondContact O-CG2 3.32Å; K82-T312 PolarHBondContact O-OG1 2.96Å; V84-T312 HydrophobicContact CG2-CG2 3.93Å; M87-T312 HydrophobicContact CE-CG2 3.48Å; M87-T312 VanDerWaalsContact CE-CG2 3.48Å; M87-T312 HydrophobicContact CG-CG2 4.16Å; M87-T312 HydrophobicContact SD-CG2 3.55Å; M87-T312 VanDerWaalsContact SD-CG2 3.55Å; D244-T312 PolarHBondContact O-OG1 3.22Å; I310-T312 PolarHBondContact O-N 3.08Å; I310-T312 VanDerWaalsContact O-N 3.12Å
313	I	94.5	Very high	77.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-94.3	116.9	-178.2	-56.7	-175.3	0	0	0	108.6	V78 C80 Y209 L211 I310 Y315	V78-I313 HydrophobicContact CB-CG2 4.24Å; V78-I313 HydrophobicContact CG1-CG2 3.56Å; C80-I313 HydrophobicContact CB-CG1 4.32Å; Y209-I313 HydrophobicContact CD1-CD1 4.09Å; Y209-I313 HydrophobicContact CD2-CD1 3.78Å; Y209-I313 HydrophobicContact CD2-CG1 4.13Å; Y209-I313 HydrophobicContact CE1-CD1 4.24Å; Y209-I313 HydrophobicContact CE2-CD1 3.93Å; Y209-I313 HydrophobicContact CE2-CG1 4.3Å; Y209-I313 HydrophobicContact CG-CD1 3.86Å; L211-I313 HydrophobicContact CD1-CG2 4.24Å; I310-I313 HydrophobicContact CB-CB 4.4Å; I310-I313 HydrophobicContact CB-CD1 3.9Å; I310-I313 HydrophobicContact CB-CG1 4.16Å; I310-I313 HydrophobicContact CD1-CB 4.25Å; I310-I313 HydrophobicContact CD1-CD1 4.04Å; I310-I313 HydrophobicContact CG2-CD1 4.11Å; I310-I313 PolarHBondContact O-N 2.88Å; I313-Y315 HydrophobicContact CG2-CD1 4.14Å; I313-Y315 WeakPolarHBondContact O-CD1 3.34Å; I313-Y315 PolarHBondContact O-N 3.03Å
314	E	91.6	Very high	75.4	Confident	113 Å²	113	54.2 Å²	54.2	53%	0.528	27%	0.273	S	S	.	.			trans	-93.4	65.7	-170.2	-63.2	-177.7	-174.3	0	0	112.3	V78 P79 Y81	V78-E314 VanDerWaalsContact CG1-O 3.31Å; V78-E314 WeakPolarHBondContact CG1-O 3.35Å; P79-E314 HydrophobicContact CG-CB 4.3Å; P79-E314 PolarHBondContact O-N 3.22Å; Y81-E314 WeakPolarHBondContact CD2-OE1 3.18Å; Y81-E314 WeakPolarHBondContact CE2-OE2 3.13Å
315	Y	91.7	Very high	73.2	Confident	9 Å²	9	54.1 Å²	54.1	4%	0.035	28%	0.282	C	S	.	.			trans	-81.7	156.2	171.4	57	-88.9	0	0	0	111.3	W53 V78 L211 L303 V306 Q307 I310 I313 Y317	W53-Y315 HydrophobicContact CZ2-CD2 4.39Å; V78-Y315 VanDerWaalsContact CG1-N 3.32Å; L211-Y315 HydrophobicContact CD1-CD1 3.48Å; L211-Y315 VanDerWaalsContact CD1-CD1 3.48Å; L211-Y315 HydrophobicContact CD1-CE1 4.29Å; L211-Y315 HydrophobicContact CD1-CG 3.75Å; L303-Y315 HydrophobicContact CB-CE2 3.93Å; L303-Y315 HydrophobicContact CD2-CD2 4.09Å; L303-Y315 HydrophobicContact CD2-CE2 3.67Å; L303-Y315 HydrophobicContact CG-CE2 4.24Å; L303-Y315 PolarHBondContact O-OH 3.08Å; V306-Y315 WeakPolarHBondContact CB-OH 3.15Å; V306-Y315 HydrophobicContact CG1-CE1 4.2Å; V306-Y315 VanDerWaalsContact CG1-OH 3.26Å; V306-Y315 WeakPolarHBondContact CG1-OH 3.33Å; Q307-Y315 WeakPolarHBondContact CA-OH 3.41Å; Q307-Y315 PolarHBondContact N-OH 3.01Å; Q307-Y315 VanDerWaalsContact OE1-CE1 3.25Å; Q307-Y315 PolarHBondContact OE1-OH 3.04Å; Q307-Y315 VanDerWaalsContact OE1-OH 3.11Å; I310-Y315 HydrophobicContact CD1-CD1 4.26Å; I310-Y315 HydrophobicContact CD1-CE1 3.64Å; I310-Y315 HydrophobicContact CG1-CE1 4.06Å; I313-Y315 HydrophobicContact CG2-CD1 4.14Å; I313-Y315 WeakPolarHBondContact O-CD1 3.34Å; I313-Y315 PolarHBondContact O-N 3.03Å; Y315-Y317 AromaticContact CD2-CD1 3.52Å; Y315-Y317 HydrophobicContact CD2-CD1 3.52Å; Y315-Y317 HydrophobicContact CD2-CE1 4.38Å; Y315-Y317 HydrophobicContact CD2-CG 4.2Å; Y315-Y317 AromaticContact CE2-CD1 3.23Å; Y315-Y317 HydrophobicContact CE2-CD1 3.23Å; Y315-Y317 AromaticContact CE2-CE1 3.93Å; Y315-Y317 HydrophobicContact CE2-CE1 3.93Å; Y315-Y317 AromaticContact CE2-CG 3.78Å; Y315-Y317 HydrophobicContact CE2-CG 3.78Å; Y315-Y317 HydrophobicContact CG-CD1 4.47Å; Y315-Y317 VanDerWaalsContact O-CD1 3.29Å; Y315-Y317 WeakPolarHBondContact O-CD1 3.36Å; Y315-Y317 PolarHBondContact O-N 3.12Å
316	D	85	Confident	71.2	Confident	51 Å²	51	59.9 Å²	59.9	27%	0.273	31%	0.308	S	S	.	.			trans	-79.7	120.9	176.4	-173.7	0.2	0	0	0	110.3	C50 T52 W53	C50-D316 HydrophobicContact CB-CB 4.26Å; C50-D316 WeakPolarHBondContact CB-OD2 3.33Å; C50-D316 VanDerWaalsContact SG-CG 3.56Å; C50-D316 PolarHBondContact SG-OD1 3.42Å; T52-D316 HydrophobicContact CG2-CB 4.44Å; T52-D316 WeakPolarHBondContact OG1-CB 3.47Å; W53-D316 PolarHBondContact NE1-O 3.29Å
317	Y	75	Confident	68.6	Low	55 Å²	55	67.3 Å²	67.3	22%	0.216	37%	0.369	C	S	.	.			trans	-146.5	7.3	172.5	66.7	-84.7	0	0	0	112.2	L303 Q307 Y315 R319	L303-Y317 HydrophobicContact CB-CG 4.37Å; Q307-Y317 HydrophobicContact CG-CE1 4.34Å; Q307-Y317 WeakPolarHBondContact CG-OH 3.34Å; Q307-Y317 VanDerWaalsContact OE1-CE1 3.29Å; Y315-Y317 AromaticContact CD2-CD1 3.52Å; Y315-Y317 HydrophobicContact CD2-CD1 3.52Å; Y315-Y317 HydrophobicContact CD2-CE1 4.38Å; Y315-Y317 HydrophobicContact CD2-CG 4.2Å; Y315-Y317 AromaticContact CE2-CD1 3.23Å; Y315-Y317 HydrophobicContact CE2-CD1 3.23Å; Y315-Y317 AromaticContact CE2-CE1 3.93Å; Y315-Y317 HydrophobicContact CE2-CE1 3.93Å; Y315-Y317 AromaticContact CE2-CG 3.78Å; Y315-Y317 HydrophobicContact CE2-CG 3.78Å; Y315-Y317 HydrophobicContact CG-CD1 4.47Å; Y315-Y317 VanDerWaalsContact O-CD1 3.29Å; Y315-Y317 WeakPolarHBondContact O-CD1 3.36Å; Y315-Y317 PolarHBondContact O-N 3.12Å; Y317-R319 PolarHBondContact O-N 2.89Å
318	T	62.4	Low	67.6	Low	96 Å²	96	69 Å²	69	59%	0.589	38%	0.379	S	S	*	.			trans	-91.9	96.6	-162.5	34.1	0	0	0	0	112
319	R	57	Low	66.6	Low	157 Å²	157	71.9 Å²	71.9	59%	0.592	39%	0.394	S	S	*	.			trans	-111.4	134.2	133.4	-76.8	-167.2	170.8	179.7	0.5	108.9	H49 Y317 F321	H49-R319 PolarHBondContact CD2-NH1 3.42Å; H49-R319 PolarHBondContact CD2-NH2 2.87Å; H49-R319 VanDerWaalsContact CD2-NH2 3.32Å; H49-R319 PolarHBondContact NE2-NH1 3.4Å; Y317-R319 PolarHBondContact O-N 2.89Å; R319-F321 WeakPolarHBondContact O-CD2 3.37Å; R319-F321 PolarHBondContact O-N 3.32Å
320	N	46.3	Very low	65.3	Low	155 Å²	155	75.9 Å²	75.9	83%	0.829	42%	0.416	S	S	*	.			trans	-58.2	101.5	163.2	-66.7	-21.3	0	0	0	107.5	N322	N320-N322 PolarHBondContact O-N 3.24Å
321	F	47.6	Very low	63.7	Low	87 Å²	87	80.4 Å²	80.4	38%	0.382	44%	0.44	S	S	.	.			trans	-71.4	88.6	163.7	-73.8	-84.7	0	0	0	107.1	Q297 M300 R319 L323	Q297-F321 HydrophobicContact CB-CE1 4.32Å; Q297-F321 HydrophobicContact CB-CZ 4.31Å; Q297-F321 HydrophobicContact CG-CE1 4.13Å; Q297-F321 HydrophobicContact CG-CZ 4.44Å; M300-F321 HydrophobicContact CB-CE2 3.75Å; M300-F321 HydrophobicContact CB-CZ 3.8Å; M300-F321 HydrophobicContact CG-CZ 4.29Å; R319-F321 WeakPolarHBondContact O-CD2 3.37Å; R319-F321 PolarHBondContact O-N 3.32Å; F321-L323 PolarHBondContact O-N 2.69Å; F321-L323 VanDerWaalsContact O-N 3.16Å
322	N	40.4	Very low	61.9	Low	102 Å²	102	84.1 Å²	84.1	55%	0.545	46%	0.46	S	S	.	.			trans	-73.3	100.4	162.8	-111.1	-25.6	0	0	0	106.9	N320 S324 S325	N320-N322 PolarHBondContact O-N 3.24Å; N322-S324 PolarHBondContact O-N 3.26Å; N322-S324 VanDerWaalsContact O-N 3.13Å; N322-S324 PolarHBondContact OD1-OG 3.05Å; N322-S325 WeakPolarHBondContact O-CB 3.49Å; N322-S325 PolarHBondContact O-N 3.22Å; N322-S325 PolarHBondContact O-OG 2.85Å
323	L	47.7	Very low	59.9	Low	58 Å²	58	89.3 Å²	89.3	30%	0.304	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-56.6	-21.2	169.5	-83.3	122.1	0	0	0	112.2	A114 V286 A291 F321 S325	A114-L323 HydrophobicContact CB-CD1 4.02Å; V286-L323 HydrophobicContact CB-CD2 3.97Å; V286-L323 HydrophobicContact CG1-CD2 3.5Å; V286-L323 VanDerWaalsContact CG1-CD2 3.5Å; V286-L323 HydrophobicContact CG2-CD2 3.59Å; A291-L323 HydrophobicContact CB-CD2 4.07Å; F321-L323 PolarHBondContact O-N 2.69Å; F321-L323 VanDerWaalsContact O-N 3.16Å; L323-S325 VanDerWaalsContact C-N 3.26Å; L323-S325 PolarHBondContact O-N 3.31Å
324	S	41.7	Very low	57.4	Low	81 Å²	81	95.7 Å²	95.7	57%	0.566	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.1	172.4	55.4	0	0	0	0	114.9	N322 F326	N322-S324 PolarHBondContact O-N 3.26Å; N322-S324 VanDerWaalsContact O-N 3.13Å; N322-S324 PolarHBondContact OD1-OG 3.05Å; S324-F326 PolarHBondContact O-N 3.33Å
325	S	40.5	Very low	54.8	Low	79 Å²	79	94.4 Å²	94.4	55%	0.552	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-78.4	4	-178.4	59.6	0	0	0	0	114.7	N322 L323	N322-S325 WeakPolarHBondContact O-CB 3.49Å; N322-S325 PolarHBondContact O-N 3.22Å; N322-S325 PolarHBondContact O-OG 2.85Å; L323-S325 VanDerWaalsContact C-N 3.26Å; L323-S325 PolarHBondContact O-N 3.31Å
326	F	42.9	Very low	51.7	Low	142 Å²	142	101.5 Å²	101.5	62%	0.623	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-125.2	12.9	-179.3	-68.1	-78	0	0	0	114.7	A291 S324	A291-F326 HydrophobicContact CB-CB 4.37Å; S324-F326 PolarHBondContact O-N 3.33Å
327	A	34.6	Very low	48.7	Very low	155 Å²	155	106.1 Å²	106.1	100%	1.281	59%	0.589	S	S	*	*			trans	-96.1	0	166.4	0	0	0	0	0	111

Retrieved 327 of 327 residues in 89.7 ms (Link to these results)

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