A0A087WVB9_HUMAN Loading...

Eukaryotic translation initiation factor 3 subunit K

Component of the eukaryotic translation initiation factor 3 (eIF-3) complex, which is required for several steps in the initiation of protein synthesis. The eIF-3 complex associates with the 40S ribosome and facilitates the recruitment of eIF-1, eIF-1A, eIF-2:GTP:methionyl-tRNAi and eIF-5 to form the 43S pre-initiation complex (43S PIC). The eIF-3 complex stimulates mRNA recruitment to the 43S PIC and scanning of the mRNA for AUG recognition. The eIF-3 complex is also required for disassembly and recycling of post-termination ribosomal complexes and subsequently prevents premature joining of the 40S and 60S ribosomal subunits prior to initiation. The eIF-3 complex specifically targets and initiates translation of a subset of mRNAs involved in cell proliferation, including cell cycling, differentiation and apoptosis, and uses different modes of RNA stem-loop binding to exert either translational activation or repression.

AlphaFold DB , UniProt , Accession A0A087WVB9, Species HUMAN (Homo sapiens, Human), Gene EIF3K, Length 185 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	34.8	Very low	36.2	Very low	209 Å²	209	115.7 Å²	115.7	100%	1.03	58%	0.581	S	S	*	*				0	-57.9	0	-89.9	-174.7	-120	0	0	112.5	M3 F4 E5	M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 2.61Å; M1-F4 WeakPolarHBondContact O-CB 3.32Å; M1-F4 PolarHBondContact O-N 2.71Å; M1-E5 PolarHBondContact O-N 2.99Å
2	A	26.8	Very low	37.3	Very low	79 Å²	79	108.9 Å²	108.9	65%	0.653	56%	0.562	S	S	*	*	H	α-helix	trans	-58.9	-35.3	-179.9	0	0	0	0	0	115.2	F4 Q6	A2-F4 VanDerWaalsContact C-N 3.31Å; A2-F4 PolarHBondContact O-N 3.46Å; A2-Q6 WeakPolarHBondContact O-CB 3.49Å; A2-Q6 PolarHBondContact O-N 3.2Å; A2-Q6 VanDerWaalsContact O-N 3.1Å
3	M	29	Very low	38.4	Very low	146 Å²	146	112.8 Å²	112.8	72%	0.719	57%	0.572	S	S	*	*	H	α-helix	trans	-67.5	-30.4	176.1	-170.3	175	174.6	0	0	112.9	M1 M7	M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 2.61Å; M3-M7 HydrophobicContact CE-CE 4.22Å; M3-M7 WeakPolarHBondContact O-CB 3.42Å; M3-M7 PolarHBondContact O-N 2.84Å
4	F	29.9	Very low	39.4	Very low	143 Å²	143	108.2 Å²	108.2	63%	0.627	55%	0.549	S	S	*	.	H	α-helix	trans	-78.8	-36.9	-177.8	-143.7	-94.8	0	0	0	111.4	M1 A2 M7 R8	M1-F4 WeakPolarHBondContact O-CB 3.32Å; M1-F4 PolarHBondContact O-N 2.71Å; A2-F4 VanDerWaalsContact C-N 3.31Å; A2-F4 PolarHBondContact O-N 3.46Å; F4-M7 WeakPolarHBondContact O-CB 3.49Å; F4-M7 PolarHBondContact O-N 3.07Å; F4-R8 PolarHBondContact O-N 3.11Å
5	E	32	Very low	40.2	Very low	147 Å²	147	103.8 Å²	103.8	69%	0.687	53%	0.527	S	S	*	.	H	α-helix	trans	-68.6	-41.4	170.9	-93.5	175.4	145.1	0	0	112.3	M1 M7 R8 A9	M1-E5 PolarHBondContact O-N 2.99Å; E5-M7 VanDerWaalsContact C-N 3.27Å; E5-M7 PolarHBondContact O-N 3.06Å; E5-R8 PolarHBondContact O-N 3.44Å; E5-A9 WeakPolarHBondContact O-CB 3.37Å; E5-A9 PolarHBondContact O-N 3.23Å
6	Q	33.3	Very low	40.8	Very low	130 Å²	130	107.3 Å²	107.3	61%	0.607	54%	0.538	S	S	*	.	H	α-helix	trans	-62.2	-36.6	173	-160.1	78.4	22.8	0	0	111.3	A2 N10	A2-Q6 WeakPolarHBondContact O-CB 3.49Å; A2-Q6 PolarHBondContact O-N 3.2Å; A2-Q6 VanDerWaalsContact O-N 3.1Å; Q6-N10 VanDerWaalsContact O-CG 3.24Å; Q6-N10 PolarHBondContact O-N 2.79Å; Q6-N10 VanDerWaalsContact O-N 3.08Å; Q6-N10 PolarHBondContact O-ND2 3.36Å
7	M	35.4	Very low	41.4	Very low	56 Å²	56	102.3 Å²	102.3	28%	0.276	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-50	174.2	-104.3	170.3	-177.8	0	0	112.3	M3 F4 E5 A9 N10 V11 N43	M3-M7 HydrophobicContact CE-CE 4.22Å; M3-M7 WeakPolarHBondContact O-CB 3.42Å; M3-M7 PolarHBondContact O-N 2.84Å; F4-M7 WeakPolarHBondContact O-CB 3.49Å; F4-M7 PolarHBondContact O-N 3.07Å; E5-M7 VanDerWaalsContact C-N 3.27Å; E5-M7 PolarHBondContact O-N 3.06Å; M7-A9 VanDerWaalsContact C-N 3.26Å; M7-A9 PolarHBondContact O-N 2.96Å; M7-N10 WeakPolarHBondContact O-CB 3.42Å; M7-N10 PolarHBondContact O-N 3.43Å; M7-V11 WeakPolarHBondContact O-CG2 3.44Å; M7-V11 PolarHBondContact O-N 3.32Å; M7-N43 WeakPolarHBondContact CE-OD1 3.5Å
8	R	38.1	Very low	42	Very low	210 Å²	210	97.2 Å²	97.2	79%	0.792	49%	0.493	S	S	*	.	H	α-helix	trans	-61.7	-36.3	178.5	-162.5	175.8	179.6	152.3	2.3	112	F4 E5 G12	F4-R8 PolarHBondContact O-N 3.11Å; E5-R8 PolarHBondContact O-N 3.44Å; R8-G12 PolarHBondContact O-N 3.5Å
9	A	43.7	Very low	42.4	Very low	55 Å²	55	94.7 Å²	94.7	46%	0.455	48%	0.482	S	S	.	.	H	α-helix	trans	-68.2	-32.4	174.2	0	0	0	0	0	113.2	E5 M7 K13	E5-A9 WeakPolarHBondContact O-CB 3.37Å; E5-A9 PolarHBondContact O-N 3.23Å; M7-A9 VanDerWaalsContact C-N 3.26Å; M7-A9 PolarHBondContact O-N 2.96Å; A9-K13 WeakPolarHBondContact O-CG 3.41Å; A9-K13 PolarHBondContact O-N 3.26Å
10	N	46.1	Very low	42.5	Very low	68 Å²	68	100.4 Å²	100.4	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-74.7	-42.8	175.6	-75.5	-22.8	0	0	0	111.9	Q6 M7 K13 L14	Q6-N10 VanDerWaalsContact O-CG 3.24Å; Q6-N10 PolarHBondContact O-N 2.79Å; Q6-N10 VanDerWaalsContact O-N 3.08Å; Q6-N10 PolarHBondContact O-ND2 3.36Å; M7-N10 WeakPolarHBondContact O-CB 3.42Å; M7-N10 PolarHBondContact O-N 3.43Å; N10-K13 WeakPolarHBondContact O-CB 3.47Å; N10-K13 PolarHBondContact O-N 3.25Å; N10-K13 VanDerWaalsContact O-N 3.17Å; N10-L14 VanDerWaalsContact O-CG 3.28Å; N10-L14 WeakPolarHBondContact O-CG 3.36Å; N10-L14 PolarHBondContact O-N 3.07Å
11	V	48.8	Very low	43	Very low	30 Å²	30	98.3 Å²	98.3	18%	0.182	48%	0.484	C	S	.	.	H	α-helix	trans	-62.6	-44.8	175.7	174.6	0	0	0	0	110.9	M7 K13 L14 L15	M7-V11 WeakPolarHBondContact O-CG2 3.44Å; M7-V11 PolarHBondContact O-N 3.32Å; V11-K13 PolarHBondContact O-N 3.47Å; V11-L14 PolarHBondContact O-N 2.77Å; V11-L14 VanDerWaalsContact O-N 3.08Å; V11-L15 HydrophobicContact CG1-CD1 3.72Å; V11-L15 HydrophobicContact CG1-CG 4.14Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.22Å
12	G	49.4	Very low	43.5	Very low	34 Å²	34	92.2 Å²	92.2	35%	0.351	45%	0.453	S	S	.	.	H	α-helix	trans	-62	-27.9	174.8	0	0	0	0	0	114.1	R8 K16	R8-G12 PolarHBondContact O-N 3.5Å; G12-K16 WeakPolarHBondContact O-CB 3.46Å; G12-K16 VanDerWaalsContact O-CG 3.31Å; G12-K16 WeakPolarHBondContact O-CG 3.49Å; G12-K16 PolarHBondContact O-N 3.16Å
13	K	52.3	Low	44.3	Very low	160 Å²	160	95.9 Å²	95.9	70%	0.696	45%	0.454	S	S	*	.	H	α-helix	trans	-76.8	-37.4	171.5	-82.3	179.3	178.1	177.7	0	112.6	A9 N10 V11 G17	A9-K13 WeakPolarHBondContact O-CG 3.41Å; A9-K13 PolarHBondContact O-N 3.26Å; N10-K13 WeakPolarHBondContact O-CB 3.47Å; N10-K13 PolarHBondContact O-N 3.25Å; N10-K13 VanDerWaalsContact O-N 3.17Å; V11-K13 PolarHBondContact O-N 3.47Å; K13-G17 PolarHBondContact O-N 3.35Å
14	L	52.1	Low	45.1	Very low	48 Å²	48	92.4 Å²	92.4	25%	0.251	44%	0.439	S	S	.	.	H	α-helix	trans	-67.9	-46.4	177.9	-69.9	162.1	0	0	0	111.1	N10 V11 G17 I18 I36	N10-L14 VanDerWaalsContact O-CG 3.28Å; N10-L14 WeakPolarHBondContact O-CG 3.36Å; N10-L14 PolarHBondContact O-N 3.07Å; V11-L14 PolarHBondContact O-N 2.77Å; V11-L14 VanDerWaalsContact O-N 3.08Å; L14-G17 WeakPolarHBondContact O-CA 3.25Å; L14-G17 PolarHBondContact O-N 2.78Å; L14-G17 VanDerWaalsContact O-N 3.1Å; L14-I18 PolarHBondContact O-N 2.79Å; L14-I36 HydrophobicContact CB-CG2 4.44Å; L14-I36 HydrophobicContact CD2-CB 4.23Å; L14-I36 HydrophobicContact CD2-CD1 4.41Å; L14-I36 HydrophobicContact CD2-CG1 3.7Å; L14-I36 HydrophobicContact CD2-CG2 3.91Å
15	L	51.1	Low	46.2	Very low	42 Å²	42	90.7 Å²	90.7	22%	0.22	44%	0.442	C	S	.	.	H	α-helix	trans	-63.7	-43.2	176.6	-68.8	172.8	0	0	0	112.1	V11 G17 I18 D19	V11-L15 HydrophobicContact CG1-CD1 3.72Å; V11-L15 HydrophobicContact CG1-CG 4.14Å; V11-L15 WeakPolarHBondContact O-CB 3.43Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.22Å; L15-G17 PolarHBondContact O-N 3.49Å; L15-I18 PolarHBondContact O-N 3.21Å; L15-I18 VanDerWaalsContact O-N 3.14Å; L15-D19 PolarHBondContact O-N 3.3Å
16	K	50.8	Low	47.2	Very low	160 Å²	160	87.9 Å²	87.9	70%	0.696	44%	0.444	S	S	*	.	H	α-helix	trans	-60.7	-27	172.6	-85.4	-176	174.2	-176.9	0	113.6	G12 R20	G12-K16 WeakPolarHBondContact O-CB 3.46Å; G12-K16 VanDerWaalsContact O-CG 3.31Å; G12-K16 WeakPolarHBondContact O-CG 3.49Å; G12-K16 PolarHBondContact O-N 3.16Å; K16-R20 PolarHBondContact O-N 3.01Å
17	G	51.2	Low	48.3	Very low	22 Å²	22	87.9 Å²	87.9	23%	0.227	44%	0.442	C	S	.	.	H	α-helix	trans	-67.3	-53.1	172.7	0	0	0	0	0	110.8	K13 L14 L15 R20 Y21	K13-G17 PolarHBondContact O-N 3.35Å; L14-G17 WeakPolarHBondContact O-CA 3.25Å; L14-G17 PolarHBondContact O-N 2.78Å; L14-G17 VanDerWaalsContact O-N 3.1Å; L15-G17 PolarHBondContact O-N 3.49Å; G17-R20 WeakPolarHBondContact O-CB 3.33Å; G17-R20 PolarHBondContact O-N 3.48Å; G17-Y21 WeakPolarHBondContact O-CD2 3.5Å; G17-Y21 WeakPolarHBondContact O-CE2 3.49Å; G17-Y21 PolarHBondContact O-N 2.75Å
18	I	51.9	Low	49.6	Very low	10 Å²	10	87.2 Å²	87.2	5%	0.051	44%	0.438	C	S	.	.	H	α-helix	trans	-65.5	-42.5	-177.5	-63.1	174.1	0	0	0	112.2	L14 L15 R20 Y21 Q22 I36 C52 M55	L14-I18 PolarHBondContact O-N 2.79Å; L15-I18 PolarHBondContact O-N 3.21Å; L15-I18 VanDerWaalsContact O-N 3.14Å; I18-R20 PolarHBondContact O-N 3.02Å; I18-Y21 PolarHBondContact O-N 3.47Å; I18-Q22 PolarHBondContact O-N 3.18Å; I18-Q22 VanDerWaalsContact O-N 3.13Å; I18-I36 HydrophobicContact CD1-CG2 3.92Å; I18-I36 HydrophobicContact CG1-CD1 4.28Å; I18-C52 HydrophobicContact CD1-CB 4.48Å; I18-M55 HydrophobicContact CG2-CB 3.61Å; I18-M55 HydrophobicContact CG2-CE 4.33Å; I18-M55 HydrophobicContact CG2-CG 4.5Å
19	D	48.9	Very low	50.9	Low	51 Å²	51	82.4 Å²	82.4	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-55.1	-40.8	174	-94.1	-24.9	0	0	0	111.3	L15 Y21 F23 M55	L15-D19 PolarHBondContact O-N 3.3Å; D19-Y21 VanDerWaalsContact C-N 3.25Å; D19-Y21 PolarHBondContact O-N 3.45Å; D19-F23 WeakPolarHBondContact O-CD2 3.31Å; D19-M55 VanDerWaalsContact OD1-CE 3.25Å; D19-M55 WeakPolarHBondContact OD1-CE 3.39Å
20	R	45	Very low	52.3	Low	208 Å²	208	81.5 Å²	81.5	79%	0.785	41%	0.413	S	S	*	.	H	α-helix	trans	-68.5	-25.2	179.4	-144.1	179.7	-170.6	-170.1	1.4	112.9	K16 G17 I18	K16-R20 PolarHBondContact O-N 3.01Å; G17-R20 WeakPolarHBondContact O-CB 3.33Å; G17-R20 PolarHBondContact O-N 3.48Å; I18-R20 PolarHBondContact O-N 3.02Å
21	Y	51.5	Low	53.5	Low	57 Å²	57	83 Å²	83	22%	0.224	43%	0.425	C	S	.	.	H	α-helix	trans	-83.3	-34	179.7	-68.5	-60.8	0	0	0	113	G17 I18 D19 F23 N24 F27	G17-Y21 WeakPolarHBondContact O-CD2 3.5Å; G17-Y21 WeakPolarHBondContact O-CE2 3.49Å; G17-Y21 PolarHBondContact O-N 2.75Å; I18-Y21 PolarHBondContact O-N 3.47Å; D19-Y21 VanDerWaalsContact C-N 3.25Å; D19-Y21 PolarHBondContact O-N 3.45Å; Y21-F23 VanDerWaalsContact C-N 3.26Å; Y21-F23 PolarHBondContact O-N 2.9Å; Y21-N24 CarbonylContact O-C 3.49Å; Y21-N24 PolarHBondContact O-N 2.84Å; Y21-F27 HydrophobicContact CD1-CB 4.15Å; Y21-F27 VanDerWaalsContact CD1-O 3.26Å; Y21-F27 WeakPolarHBondContact CD1-O 3.48Å; Y21-F27 HydrophobicContact CE1-CB 4.18Å; Y21-F27 WeakPolarHBondContact CE1-O 3.31Å
22	Q	45.3	Very low	54.7	Low	80 Å²	80	83.4 Å²	83.4	37%	0.374	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-35.1	174.2	-80.4	-168.5	-0.5	0	0	112.5	I18 N24 M55	I18-Q22 PolarHBondContact O-N 3.18Å; I18-Q22 VanDerWaalsContact O-N 3.13Å; Q22-N24 VanDerWaalsContact C-N 3.35Å; Q22-N24 PolarHBondContact O-N 3.14Å; Q22-M55 PolarHBondContact NE2-O 2.84Å
23	F	45.2	Very low	56	Low	156 Å²	156	82 Å²	82	68%	0.684	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.8	-179.5	-77.5	-82.3	0	0	0	114.5	D19 Y21	D19-F23 WeakPolarHBondContact O-CD2 3.31Å; Y21-F23 VanDerWaalsContact C-N 3.26Å; Y21-F23 PolarHBondContact O-N 2.9Å
24	N	45	Very low	57.2	Low	73 Å²	73	74.7 Å²	74.7	39%	0.39	38%	0.382	S	S	.	.			trans	-149.6	90.8	178.2	-155.8	-11.1	0	0	0	112.9	Y21 Q22 A26 F27	Y21-N24 CarbonylContact O-C 3.49Å; Y21-N24 PolarHBondContact O-N 2.84Å; Q22-N24 VanDerWaalsContact C-N 3.35Å; Q22-N24 PolarHBondContact O-N 3.14Å; N24-A26 PolarHBondContact O-N 3.36Å; N24-F27 HydrophobicContact CB-CD2 4.24Å; N24-F27 WeakPolarHBondContact ND2-CD2 3.23Å; N24-F27 WeakPolarHBondContact ND2-CE2 3.38Å; N24-F27 PolarHBondContact O-N 3.08Å; N24-F27 VanDerWaalsContact O-N 3.08Å
25	P	52.2	Low	58.2	Low	107 Å²	107	77.2 Å²	77.2	70%	0.695	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-55.7	-25.3	-178.3	-25.1	32.9	0	0	0	114.3	F27 F28	P25-F27 PolarHBondContact O-N 2.85Å; P25-F28 PolarHBondContact O-N 2.91Å
26	A	53.3	Low	59.5	Low	88 Å²	88	76 Å²	76	73%	0.727	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-69.5	-11.8	-179.8	0	0	0	0	0	114.4	N24	N24-A26 PolarHBondContact O-N 3.36Å
27	F	56.7	Low	60.7	Low	130 Å²	130	68.4 Å²	68.4	57%	0.57	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-110.7	1.6	179.7	-74.8	-86.1	0	0	0	113.8	Y21 N24 P25 Q29	Y21-F27 HydrophobicContact CD1-CB 4.15Å; Y21-F27 VanDerWaalsContact CD1-O 3.26Å; Y21-F27 WeakPolarHBondContact CD1-O 3.48Å; Y21-F27 HydrophobicContact CE1-CB 4.18Å; Y21-F27 WeakPolarHBondContact CE1-O 3.31Å; N24-F27 HydrophobicContact CB-CD2 4.24Å; N24-F27 WeakPolarHBondContact ND2-CD2 3.23Å; N24-F27 WeakPolarHBondContact ND2-CE2 3.38Å; N24-F27 PolarHBondContact O-N 3.08Å; N24-F27 VanDerWaalsContact O-N 3.08Å; P25-F27 PolarHBondContact O-N 2.85Å; F27-Q29 PolarHBondContact O-N 3.45Å
28	F	62.5	Low	62.1	Low	43 Å²	43	67.5 Å²	67.5	19%	0.189	34%	0.342	C	S	.	.			trans	-60.1	112	-179.8	-172.5	-98.1	0	0	0	110.3	P25 T33 H60 I66	P25-F28 PolarHBondContact O-N 2.91Å; F28-T33 HydrophobicContact CE2-CG2 4.27Å; F28-T33 WeakPolarHBondContact CE2-OG1 3.39Å; F28-T33 HydrophobicContact CZ-CG2 4.02Å; F28-H60 AromaticContact CD1-CD2 3.59Å; F28-H60 AromaticContact CD1-NE2 3.91Å; F28-H60 HydrophobicContact CE1-CB 3.97Å; F28-H60 AromaticContact CE1-CD2 3.49Å; F28-H60 VanDerWaalsContact CE1-CD2 3.49Å; F28-H60 WeakPolarHBondContact CE1-CD2 3.02Å; F28-H60 AromaticContact CE1-CG 3.83Å; F28-H60 HydrophobicContact CZ-CB 3.79Å; F28-H60 AromaticContact CZ-CG 3.91Å; F28-I66 HydrophobicContact CE1-CD1 3.91Å; F28-I66 HydrophobicContact CZ-CD1 3.67Å
29	Q	66.8	Low	63.2	Low	108 Å²	108	72.6 Å²	72.6	51%	0.505	36%	0.364	S	S	.	.			trans	-103.4	102.9	176.6	-73.4	-167.6	4.7	0	0	109.3	F27 T31 V32 T33	F27-Q29 PolarHBondContact O-N 3.45Å; Q29-T31 PolarHBondContact O-N 2.92Å; Q29-T31 VanDerWaalsContact O-N 3.15Å; Q29-V32 HydrophobicContact CB-CB 3.99Å; Q29-V32 HydrophobicContact CB-CG2 3.8Å; Q29-V32 PolarHBondContact O-N 3.09Å; Q29-T33 PolarHBondContact O-N 3.4Å; Q29-T33 PolarHBondContact O-OG1 3.22Å
30	T	72.6	Confident	64.5	Low	37 Å²	37	70.5 Å²	70.5	23%	0.227	35%	0.354	C	S	.	.	H	α-helix	trans	-52.7	-38.3	179.2	-41.1	0	0	0	0	112	T33 A34 I66	T30-T33 PolarHBondContact O-N 3.3Å; T30-A34 VanDerWaalsContact O-CB 3.26Å; T30-A34 WeakPolarHBondContact O-CB 3.42Å; T30-A34 PolarHBondContact O-N 2.93Å; T30-I66 HydrophobicContact CG2-CD1 3.79Å; T30-I66 HydrophobicContact CG2-CG1 3.93Å
31	T	71.8	Confident	66	Low	99 Å²	99	60.8 Å²	60.8	61%	0.607	32%	0.318	S	S	*	.	H	α-helix	trans	-64	-41.2	176.5	-47.3	0	0	0	0	112.9	Q29 Q35	Q29-T31 PolarHBondContact O-N 2.92Å; Q29-T31 VanDerWaalsContact O-N 3.15Å; T31-Q35 WeakPolarHBondContact O-CG 3.41Å; T31-Q35 PolarHBondContact O-N 3.49Å; T31-Q35 VanDerWaalsContact O-N 3.08Å
32	V	74.2	Confident	67.1	Low	38 Å²	38	59.7 Å²	59.7	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-71.1	-43.7	179.2	177.1	0	0	0	0	110	Q29 A34 Q35 I36	Q29-V32 HydrophobicContact CB-CB 3.99Å; Q29-V32 HydrophobicContact CB-CG2 3.8Å; Q29-V32 PolarHBondContact O-N 3.09Å; V32-A34 VanDerWaalsContact C-N 3.32Å; V32-A34 PolarHBondContact O-N 3.36Å; V32-Q35 PolarHBondContact O-N 3.18Å; V32-I36 HydrophobicContact CG1-CD1 3.84Å; V32-I36 HydrophobicContact CG1-CG1 4.36Å; V32-I36 VanDerWaalsContact O-CG1 3.25Å; V32-I36 WeakPolarHBondContact O-CG1 3.03Å; V32-I36 PolarHBondContact O-N 3.33Å
33	T	75.9	Confident	68.2	Low	4 Å²	4	57.3 Å²	57.3	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-43.4	175.8	-55.7	0	0	0	0	111.4	F28 Q29 T30 Q35 I36 L37 I56 I66	F28-T33 HydrophobicContact CE2-CG2 4.27Å; F28-T33 WeakPolarHBondContact CE2-OG1 3.39Å; F28-T33 HydrophobicContact CZ-CG2 4.02Å; Q29-T33 PolarHBondContact O-N 3.4Å; Q29-T33 PolarHBondContact O-OG1 3.22Å; T30-T33 PolarHBondContact O-N 3.3Å; T33-Q35 PolarHBondContact O-N 3.5Å; T33-I36 PolarHBondContact O-N 3.24Å; T33-L37 HydrophobicContact CG2-CD1 4.22Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 2.99Å; T33-I56 HydrophobicContact CG2-CD1 3.56Å; T33-I56 HydrophobicContact CG2-CG1 4.09Å; T33-I66 HydrophobicContact CG2-CD1 3.88Å; T33-I66 HydrophobicContact CG2-CG1 4.46Å
34	A	76.5	Confident	68.9	Low	8 Å²	8	51 Å²	51	7%	0.066	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-47.3	174.7	0	0	0	0	0	112.3	T30 V32 I36 L37 L38 P65 I69	T30-A34 VanDerWaalsContact O-CB 3.26Å; T30-A34 WeakPolarHBondContact O-CB 3.42Å; T30-A34 PolarHBondContact O-N 2.93Å; V32-A34 VanDerWaalsContact C-N 3.32Å; V32-A34 PolarHBondContact O-N 3.36Å; A34-I36 VanDerWaalsContact C-N 3.34Å; A34-I36 PolarHBondContact O-N 3.1Å; A34-L37 PolarHBondContact O-N 3.21Å; A34-L38 WeakPolarHBondContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CG 3.35Å; A34-L38 PolarHBondContact O-N 2.99Å; A34-P65 HydrophobicContact CB-CG 4.01Å; A34-I69 HydrophobicContact CB-CD1 3.45Å; A34-I69 VanDerWaalsContact CB-CD1 3.45Å
35	Q	74.7	Confident	69.3	Low	101 Å²	101	49.5 Å²	49.5	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-63.7	-38.5	176.9	-73.6	177.8	-10.5	0	0	112.6	T31 V32 T33 K39	T31-Q35 WeakPolarHBondContact O-CG 3.41Å; T31-Q35 PolarHBondContact O-N 3.49Å; T31-Q35 VanDerWaalsContact O-N 3.08Å; V32-Q35 PolarHBondContact O-N 3.18Å; T33-Q35 PolarHBondContact O-N 3.5Å; Q35-K39 VanDerWaalsContact O-CB 3.26Å; Q35-K39 WeakPolarHBondContact O-CB 3.29Å; Q35-K39 PolarHBondContact O-N 3.43Å
36	I	76.5	Confident	69.6	Low	16 Å²	16	46.9 Å²	46.9	8%	0.082	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-47.2	176.3	-67.2	169.1	0	0	0	110.3	L14 I18 V32 T33 A34 K39 A40	L14-I36 HydrophobicContact CB-CG2 4.44Å; L14-I36 HydrophobicContact CD2-CB 4.23Å; L14-I36 HydrophobicContact CD2-CD1 4.41Å; L14-I36 HydrophobicContact CD2-CG1 3.7Å; L14-I36 HydrophobicContact CD2-CG2 3.91Å; I18-I36 HydrophobicContact CD1-CG2 3.92Å; I18-I36 HydrophobicContact CG1-CD1 4.28Å; V32-I36 HydrophobicContact CG1-CD1 3.84Å; V32-I36 HydrophobicContact CG1-CG1 4.36Å; V32-I36 VanDerWaalsContact O-CG1 3.25Å; V32-I36 WeakPolarHBondContact O-CG1 3.03Å; V32-I36 PolarHBondContact O-N 3.33Å; T33-I36 PolarHBondContact O-N 3.24Å; A34-I36 VanDerWaalsContact C-N 3.34Å; A34-I36 PolarHBondContact O-N 3.1Å; I36-K39 PolarHBondContact O-N 3.27Å; I36-A40 PolarHBondContact O-N 3.31Å
37	L	77.9	Confident	70	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-45.9	178.5	-74.4	170.6	0	0	0	112.1	T33 A34 K39 A40 L41 F49 C52 I56 I66 I69 L70	T33-L37 HydrophobicContact CG2-CD1 4.22Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 2.99Å; A34-L37 PolarHBondContact O-N 3.21Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.37Å; L37-A40 WeakPolarHBondContact O-CB 3.4Å; L37-A40 PolarHBondContact O-N 3.45Å; L37-A40 VanDerWaalsContact O-N 3.15Å; L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 3.34Å; L37-F49 HydrophobicContact CD2-CE2 4.22Å; L37-C52 HydrophobicContact CD2-CB 3.71Å; L37-I56 HydrophobicContact CD1-CD1 3.72Å; L37-I56 HydrophobicContact CD2-CD1 3.89Å; L37-I56 HydrophobicContact CG-CD1 4.04Å; L37-I66 HydrophobicContact CD1-CG2 3.86Å; L37-I69 HydrophobicContact CB-CG2 3.62Å; L37-I69 HydrophobicContact CD1-CG2 4.41Å; L37-L70 HydrophobicContact CD1-CD2 4.47Å; L37-L70 HydrophobicContact CD2-CD2 4.4Å
38	L	79.1	Confident	70.4	Confident	2 Å²	2	39 Å²	39	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-39	175.6	-73.7	165	0	0	0	111.5	A34 L41 T42 I69 L94 L95 I98 F101	A34-L38 WeakPolarHBondContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CG 3.35Å; A34-L38 PolarHBondContact O-N 2.99Å; L38-L41 HydrophobicContact CD2-CD1 4.43Å; L38-L41 WeakPolarHBondContact O-CB 3.25Å; L38-L41 PolarHBondContact O-N 3.15Å; L38-T42 WeakPolarHBondContact O-CG2 3.39Å; L38-T42 PolarHBondContact O-N 3.47Å; L38-T42 VanDerWaalsContact O-N 3.13Å; L38-I69 HydrophobicContact CD1-CD1 4.03Å; L38-I69 HydrophobicContact CD1-CG1 4.47Å; L38-I69 HydrophobicContact CD2-CD1 4.46Å; L38-I69 HydrophobicContact CD2-CG1 4.09Å; L38-I69 HydrophobicContact CD2-CG2 4.02Å; L38-I69 HydrophobicContact CG-CD1 3.91Å; L38-I69 HydrophobicContact CG-CG1 4.08Å; L38-I69 HydrophobicContact CG-CG2 4.04Å; L38-L94 HydrophobicContact CD1-CB 4.36Å; L38-L94 WeakPolarHBondContact CD1-O 3.45Å; L38-L95 HydrophobicContact CD2-CD2 4.08Å; L38-I98 HydrophobicContact CB-CD1 3.29Å; L38-I98 HydrophobicContact CD1-CD1 3.7Å; L38-I98 HydrophobicContact CG-CD1 4.09Å; L38-F101 HydrophobicContact CD2-CE2 4.03Å; L38-F101 HydrophobicContact CD2-CZ 4.32Å
39	K	75.4	Confident	70.7	Confident	118 Å²	118	37 Å²	37	51%	0.513	20%	0.196	S	C	.	.	H	α-helix	trans	-68.3	-35.5	175.5	-163.1	162.3	-173.4	168.4	0	112.2	Q35 I36 L37 L41 T42	Q35-K39 VanDerWaalsContact O-CB 3.26Å; Q35-K39 WeakPolarHBondContact O-CB 3.29Å; Q35-K39 PolarHBondContact O-N 3.43Å; I36-K39 PolarHBondContact O-N 3.27Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.37Å; K39-L41 VanDerWaalsContact C-N 3.34Å; K39-T42 PolarHBondContact O-N 3.37Å; K39-T42 PolarHBondContact O-OG1 2.88Å
40	A	76.8	Confident	71	Confident	7 Å²	7	34.1 Å²	34.1	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-39.4	171.6	0	0	0	0	0	111.5	I36 L37 T42 N43 D48 F49	I36-A40 PolarHBondContact O-N 3.31Å; L37-A40 WeakPolarHBondContact O-CB 3.4Å; L37-A40 PolarHBondContact O-N 3.45Å; L37-A40 VanDerWaalsContact O-N 3.15Å; A40-T42 VanDerWaalsContact C-N 3.29Å; A40-T42 PolarHBondContact O-N 2.97Å; A40-N43 WeakPolarHBondContact O-CA 3.35Å; A40-N43 WeakPolarHBondContact O-CB 3.35Å; A40-N43 PolarHBondContact O-N 3.1Å; A40-D48 HydrophobicContact CB-CB 4.44Å; A40-F49 HydrophobicContact CB-CD2 4.39Å
41	L	76.6	Confident	70.7	Confident	3 Å²	3	34 Å²	34	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-61	-35.9	173.8	-72.2	175.1	0	0	0	112.9	L37 L38 K39 N43 L44 F49 I69 G73 L76 F101	L37-L41 WeakPolarHBondContact O-CG 3.31Å; L37-L41 PolarHBondContact O-N 3.34Å; L38-L41 HydrophobicContact CD2-CD1 4.43Å; L38-L41 WeakPolarHBondContact O-CB 3.25Å; L38-L41 PolarHBondContact O-N 3.15Å; K39-L41 VanDerWaalsContact C-N 3.34Å; L41-N43 PolarHBondContact O-N 3.02Å; L41-N43 VanDerWaalsContact O-N 3.15Å; L41-L44 HydrophobicContact CD2-CD1 4.22Å; L41-L44 WeakPolarHBondContact O-CG 3.49Å; L41-L44 PolarHBondContact O-N 2.92Å; L41-F49 HydrophobicContact CD1-CE2 4.05Å; L41-F49 HydrophobicContact CD2-CD1 4.15Å; L41-F49 HydrophobicContact CD2-CD2 3.37Å; L41-F49 HydrophobicContact CD2-CE1 4.13Å; L41-F49 HydrophobicContact CD2-CE2 3.35Å; L41-F49 HydrophobicContact CD2-CG 3.78Å; L41-F49 HydrophobicContact CD2-CZ 3.75Å; L41-F49 HydrophobicContact CG-CD2 3.63Å; L41-F49 HydrophobicContact CG-CE2 3.54Å; L41-F49 HydrophobicContact CG-CG 4.49Å; L41-F49 HydrophobicContact CG-CZ 4.32Å; L41-I69 HydrophobicContact CD1-CG2 3.82Å; L41-G73 VanDerWaalsContact CD2-CA 3.41Å; L41-L76 HydrophobicContact CD2-CD1 4.36Å; L41-F101 HydrophobicContact CB-CE2 4.11Å
42	T	74.4	Confident	70.6	Confident	34 Å²	34	29.6 Å²	29.6	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.1	173.9	66.5	0	0	0	0	114.2	L38 K39 A40 I98 F101 S104	L38-T42 WeakPolarHBondContact O-CG2 3.39Å; L38-T42 PolarHBondContact O-N 3.47Å; L38-T42 VanDerWaalsContact O-N 3.13Å; K39-T42 PolarHBondContact O-N 3.37Å; K39-T42 PolarHBondContact O-OG1 2.88Å; A40-T42 VanDerWaalsContact C-N 3.29Å; A40-T42 PolarHBondContact O-N 2.97Å; T42-I98 HydrophobicContact CG2-CG2 4.45Å; T42-F101 HydrophobicContact CG2-CB 4.28Å; T42-F101 HydrophobicContact CG2-CD2 3.27Å; T42-F101 HydrophobicContact CG2-CE2 3.88Å; T42-F101 HydrophobicContact CG2-CG 4.1Å; T42-S104 WeakPolarHBondContact O-CB 3.45Å
43	N	67.9	Low	70.5	Confident	30 Å²	30	30.9 Å²	30.9	16%	0.16	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	9.6	-178.1	-151.1	42.9	0	0	0	113.7	M7 A40 L41 H46 D48	M7-N43 WeakPolarHBondContact CE-OD1 3.5Å; A40-N43 WeakPolarHBondContact O-CA 3.35Å; A40-N43 WeakPolarHBondContact O-CB 3.35Å; A40-N43 PolarHBondContact O-N 3.1Å; L41-N43 PolarHBondContact O-N 3.02Å; L41-N43 VanDerWaalsContact O-N 3.15Å; N43-H46 WeakPolarHBondContact O-CB 3.13Å; N43-H46 PolarHBondContact O-CD2 2.86Å; N43-H46 PolarHBondContact O-N 3.12Å; N43-H46 VanDerWaalsContact O-N 3.16Å; N43-D48 PolarHBondContact ND2-OD2 3.37Å
44	L	59.6	Low	70.3	Confident	24 Å²	24	35.5 Å²	35.5	13%	0.126	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	138.5	169.4	-72.3	170.1	0	0	0	109.8	L41 L76 F108	L41-L44 HydrophobicContact CD2-CD1 4.22Å; L41-L44 WeakPolarHBondContact O-CG 3.49Å; L41-L44 PolarHBondContact O-N 2.92Å; L44-L76 HydrophobicContact CD1-CB 3.84Å; L44-L76 HydrophobicContact CD1-CD1 3.75Å; L44-L76 HydrophobicContact CD1-CG 4.44Å; L44-F108 HydrophobicContact CB-CB 4.46Å; L44-F108 HydrophobicContact CB-CD1 4.41Å; L44-F108 HydrophobicContact CB-CD2 3.69Å; L44-F108 HydrophobicContact CB-CE2 3.98Å; L44-F108 HydrophobicContact CB-CG 3.93Å; L44-F108 HydrophobicContact CB-CZ 4.44Å; L44-F108 HydrophobicContact CD1-CD1 4.41Å; L44-F108 HydrophobicContact CD1-CE1 4.33Å
45	P	53.5	Low	69.8	Low	41 Å²	41	36.8 Å²	36.8	27%	0.266	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.6	12	20.8	35.8	-37.2	0	0	0	116.4	F108	P45-F108 HydrophobicContact CB-CD2 4.25Å; P45-F108 HydrophobicContact CB-CE2 3.94Å
46	H	59.3	Low	69.7	Low	53 Å²	53	32.4 Å²	32.4	25%	0.245	18%	0.176	C	C	.	.	S	Bend	trans	-70.6	150.7	-177.8	-67	-64.8	0	0	0	112.8	N43 D48 E170	N43-H46 WeakPolarHBondContact O-CB 3.13Å; N43-H46 PolarHBondContact O-CD2 2.86Å; N43-H46 PolarHBondContact O-N 3.12Å; N43-H46 VanDerWaalsContact O-N 3.16Å; H46-D48 PolarHBondContact O-N 3.36Å; H46-E170 IonicContact CE1-OE2 2.61Å; H46-E170 IonicContact ND1-OE2 2.84Å; H46-E170 PolarHBondContact ND1-OE2 3.18Å; H46-E170 VanDerWaalsContact ND1-OE2 3.11Å
47	T	60.7	Low	69.6	Low	23 Å²	23	36.4 Å²	36.4	14%	0.141	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	6.3	-174.6	51.3	0	0	0	0	114.6	F49 T50 L51 E170 I172	T47-F49 PolarHBondContact O-N 2.86Å; T47-T50 PolarHBondContact O-N 3.09Å; T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 3.37Å; T47-E170 HydrophobicContact CG2-CB 3.72Å; T47-E170 WeakPolarHBondContact CG2-O 3.48Å; T47-I172 HydrophobicContact CG2-CD1 3.81Å; T47-I172 HydrophobicContact CG2-CG1 3.27Å
48	D	66.1	Low	69.5	Low	28 Å²	28	43.3 Å²	43.3	15%	0.15	23%	0.23	C	C	.	.	H	α-helix	trans	-56.4	-36.2	179.1	-65.2	-37.7	0	0	0	111.9	A40 N43 H46 C52	A40-D48 HydrophobicContact CB-CB 4.44Å; N43-D48 PolarHBondContact ND2-OD2 3.37Å; H46-D48 PolarHBondContact O-N 3.36Å; D48-C52 WeakPolarHBondContact O-CB 3.46Å; D48-C52 PolarHBondContact O-N 3.33Å; D48-C52 PolarHBondContact O-SG 3.35Å
49	F	69.4	Low	69.4	Low	1 Å²	1	46.6 Å²	46.6	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-68.2	-45.7	179.5	-174.3	-104.8	0	0	0	112.1	L37 A40 L41 T47 L51 C52 K53 L70 E77	L37-F49 HydrophobicContact CD2-CE2 4.22Å; A40-F49 HydrophobicContact CB-CD2 4.39Å; L41-F49 HydrophobicContact CD1-CE2 4.05Å; L41-F49 HydrophobicContact CD2-CD1 4.15Å; L41-F49 HydrophobicContact CD2-CD2 3.37Å; L41-F49 HydrophobicContact CD2-CE1 4.13Å; L41-F49 HydrophobicContact CD2-CE2 3.35Å; L41-F49 HydrophobicContact CD2-CG 3.78Å; L41-F49 HydrophobicContact CD2-CZ 3.75Å; L41-F49 HydrophobicContact CG-CD2 3.63Å; L41-F49 HydrophobicContact CG-CE2 3.54Å; L41-F49 HydrophobicContact CG-CG 4.49Å; L41-F49 HydrophobicContact CG-CZ 4.32Å; T47-F49 PolarHBondContact O-N 2.86Å; F49-L51 VanDerWaalsContact C-N 3.33Å; F49-L51 PolarHBondContact O-N 3.17Å; F49-C52 PolarHBondContact O-N 3.12Å; F49-K53 WeakPolarHBondContact O-CB 3.49Å; F49-K53 PolarHBondContact O-N 3.37Å; F49-L70 HydrophobicContact CZ-CD2 4.03Å; F49-E77 WeakPolarHBondContact CD1-OE1 3.49Å
50	T	71.5	Confident	69.3	Low	49 Å²	49	43 Å²	43	30%	0.301	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-41	176.3	-44.1	0	0	0	0	111.2	T47 K53 C54 E77 I172	T47-T50 PolarHBondContact O-N 3.09Å; T50-K53 WeakPolarHBondContact O-CB 3.49Å; T50-K53 PolarHBondContact O-N 2.83Å; T50-C54 PolarHBondContact O-N 2.96Å; T50-C54 PolarHBondContact O-SG 3.43Å; T50-E77 PolarHBondContact OG1-OE1 3.22Å; T50-I172 HydrophobicContact CG2-CD1 4.31Å
51	L	67.2	Low	69.3	Low	33 Å²	33	44.9 Å²	44.9	17%	0.173	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-45.5	175.8	-69.6	173.7	0	0	0	111.7	T47 F49 K53 C54 M55	T47-L51 WeakPolarHBondContact O-CG 3.29Å; T47-L51 PolarHBondContact O-N 3.37Å; F49-L51 VanDerWaalsContact C-N 3.33Å; F49-L51 PolarHBondContact O-N 3.17Å; L51-K53 VanDerWaalsContact C-N 3.3Å; L51-K53 PolarHBondContact O-N 2.89Å; L51-C54 PolarHBondContact O-N 3.29Å; L51-M55 WeakPolarHBondContact O-CG 3.08Å; L51-M55 PolarHBondContact O-N 3.34Å; L51-M55 VanDerWaalsContact O-N 3.1Å
52	C	69.6	Low	69.4	Low	7 Å²	7	50.8 Å²	50.8	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-38.8	176	-69	0	0	0	0	111.9	I18 L37 D48 F49 M55 I56	I18-C52 HydrophobicContact CD1-CB 4.48Å; L37-C52 HydrophobicContact CD2-CB 3.71Å; D48-C52 WeakPolarHBondContact O-CB 3.46Å; D48-C52 PolarHBondContact O-N 3.33Å; D48-C52 PolarHBondContact O-SG 3.35Å; F49-C52 PolarHBondContact O-N 3.12Å; C52-M55 PolarHBondContact O-N 3.45Å; C52-I56 WeakPolarHBondContact O-CD1 3.43Å; C52-I56 WeakPolarHBondContact O-CG1 3.28Å; C52-I56 PolarHBondContact O-N 2.91Å
53	K	71.3	Confident	69.7	Low	65 Å²	65	53 Å²	53	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-45.3	174.8	-171.4	178.4	-174.6	176.9	0	111.5	F49 T50 L51 M55 I56 Q61 L70	F49-K53 WeakPolarHBondContact O-CB 3.49Å; F49-K53 PolarHBondContact O-N 3.37Å; T50-K53 WeakPolarHBondContact O-CB 3.49Å; T50-K53 PolarHBondContact O-N 2.83Å; L51-K53 VanDerWaalsContact C-N 3.3Å; L51-K53 PolarHBondContact O-N 2.89Å; K53-M55 VanDerWaalsContact C-N 3.28Å; K53-M55 PolarHBondContact O-N 3.3Å; K53-I56 PolarHBondContact O-N 3.37Å; K53-Q61 PolarHBondContact O-NE2 3.03Å; K53-L70 HydrophobicContact CB-CD2 4.29Å; K53-L70 HydrophobicContact CD-CD2 4.37Å; K53-L70 HydrophobicContact CG-CD2 3.95Å
54	C	71.8	Confident	70.2	Confident	102 Å²	102	61.4 Å²	61.4	69%	0.689	32%	0.315	S	S	*	.	H	α-helix	trans	-67.7	-25.2	178.5	-67.2	0	0	0	0	113.9	T50 L51	T50-C54 PolarHBondContact O-N 2.96Å; T50-C54 PolarHBondContact O-SG 3.43Å; L51-C54 PolarHBondContact O-N 3.29Å
55	M	66.9	Low	71.2	Confident	35 Å²	35	61.9 Å²	61.9	17%	0.172	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.1	-179.5	-64	-71.6	-69.2	0	0	113.8	I18 D19 Q22 L51 C52 K53	I18-M55 HydrophobicContact CG2-CB 3.61Å; I18-M55 HydrophobicContact CG2-CE 4.33Å; I18-M55 HydrophobicContact CG2-CG 4.5Å; D19-M55 VanDerWaalsContact OD1-CE 3.25Å; D19-M55 WeakPolarHBondContact OD1-CE 3.39Å; Q22-M55 PolarHBondContact NE2-O 2.84Å; L51-M55 WeakPolarHBondContact O-CG 3.08Å; L51-M55 PolarHBondContact O-N 3.34Å; L51-M55 VanDerWaalsContact O-N 3.1Å; C52-M55 PolarHBondContact O-N 3.45Å; K53-M55 VanDerWaalsContact C-N 3.28Å; K53-M55 PolarHBondContact O-N 3.3Å
56	I	72.1	Confident	72.6	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.046	31%	0.306	C	S	.	.	S	Bend	trans	-101.1	127.8	177.5	-62.1	164.9	0	0	0	108.9	T33 L37 C52 K53 H60 Q61	T33-I56 HydrophobicContact CG2-CD1 3.56Å; T33-I56 HydrophobicContact CG2-CG1 4.09Å; L37-I56 HydrophobicContact CD1-CD1 3.72Å; L37-I56 HydrophobicContact CD2-CD1 3.89Å; L37-I56 HydrophobicContact CG-CD1 4.04Å; C52-I56 WeakPolarHBondContact O-CD1 3.43Å; C52-I56 WeakPolarHBondContact O-CG1 3.28Å; C52-I56 PolarHBondContact O-N 2.91Å; K53-I56 PolarHBondContact O-N 3.37Å; I56-H60 HydrophobicContact CG2-CB 3.88Å; I56-Q61 HydrophobicContact CB-CG 4.2Å; I56-Q61 HydrophobicContact CG2-CG 3.8Å; I56-Q61 PolarHBondContact O-NE2 2.87Å
57	D	75.3	Confident	73.8	Confident	100 Å²	100	65 Å²	65	54%	0.535	32%	0.323	S	S	.	.			trans	-58.5	142	175.2	-76.6	-25.1	0	0	0	112	A59 H60 Q61	D57-A59 PolarHBondContact O-N 2.77Å; D57-A59 VanDerWaalsContact O-N 3.1Å; D57-H60 PolarHBondContact O-N 3.33Å; D57-Q61 PolarHBondContact O-N 3.02Å; D57-Q61 VanDerWaalsContact O-N 3.07Å
58	Q	74.8	Confident	75	Confident	145 Å²	145	65.2 Å²	65.2	68%	0.678	32%	0.323	S	S	*	.	H	α-helix	trans	-54.1	-35.3	-178.6	-171.8	173.8	-5.1	0	0	113.1	H60 Q61 E62	Q58-H60 VanDerWaalsContact C-N 3.33Å; Q58-H60 PolarHBondContact O-N 2.92Å; Q58-Q61 PolarHBondContact O-N 3.26Å; Q58-E62 PolarHBondContact O-N 3.24Å
59	A	76.9	Confident	75.9	Confident	71 Å²	71	63.9 Å²	63.9	59%	0.587	32%	0.316	S	S	*	.	H	α-helix	trans	-59.1	-43.1	175.8	0	0	0	0	0	112.3	D57	D57-A59 PolarHBondContact O-N 2.77Å; D57-A59 VanDerWaalsContact O-N 3.1Å
60	H	74.4	Confident	76.7	Confident	42 Å²	42	64.5 Å²	64.5	19%	0.194	32%	0.319	C	S	.	.	H	α-helix	trans	-79.8	-21.1	179.2	-60.6	104.9	0	0	0	112.6	F28 I56 D57 Q58 E62 E63	F28-H60 AromaticContact CD1-CD2 3.59Å; F28-H60 AromaticContact CD1-NE2 3.91Å; F28-H60 HydrophobicContact CE1-CB 3.97Å; F28-H60 AromaticContact CE1-CD2 3.49Å; F28-H60 VanDerWaalsContact CE1-CD2 3.49Å; F28-H60 WeakPolarHBondContact CE1-CD2 3.02Å; F28-H60 AromaticContact CE1-CG 3.83Å; F28-H60 HydrophobicContact CZ-CB 3.79Å; F28-H60 AromaticContact CZ-CG 3.91Å; I56-H60 HydrophobicContact CG2-CB 3.88Å; D57-H60 PolarHBondContact O-N 3.33Å; Q58-H60 VanDerWaalsContact C-N 3.33Å; Q58-H60 PolarHBondContact O-N 2.92Å; H60-E62 VanDerWaalsContact C-N 3.26Å; H60-E62 PolarHBondContact O-N 3.03Å; H60-E63 IonicContact CD2-OE1 3.6Å; H60-E63 IonicContact CD2-OE2 3.95Å; H60-E63 PolarHBondContact O-N 3.27Å
61	Q	75.9	Confident	77.4	Confident	47 Å²	47	68.4 Å²	68.4	22%	0.22	33%	0.329	C	S	.	.	H	α-helix	trans	-67.2	-28.3	174	-65.8	-174.7	9.6	0	0	112.5	K53 I56 D57 Q58 E63 R67 L70	K53-Q61 PolarHBondContact O-NE2 3.03Å; I56-Q61 HydrophobicContact CB-CG 4.2Å; I56-Q61 HydrophobicContact CG2-CG 3.8Å; I56-Q61 PolarHBondContact O-NE2 2.87Å; D57-Q61 PolarHBondContact O-N 3.02Å; D57-Q61 VanDerWaalsContact O-N 3.07Å; Q58-Q61 PolarHBondContact O-N 3.26Å; Q61-E63 VanDerWaalsContact C-N 3.34Å; Q61-R67 VanDerWaalsContact O-CA 3.29Å; Q61-R67 WeakPolarHBondContact O-CA 3.35Å; Q61-R67 VanDerWaalsContact O-CB 3.29Å; Q61-R67 WeakPolarHBondContact O-CB 3.41Å; Q61-R67 PolarHBondContact O-N 3.39Å; Q61-L70 HydrophobicContact CB-CD1 3.72Å; Q61-L70 HydrophobicContact CG-CD1 3.83Å
62	E	79.4	Confident	78.3	Confident	127 Å²	127	67 Å²	67	59%	0.593	32%	0.322	S	S	*	.	S	Bend	trans	-82.5	-14	178.1	-66.3	-170.6	-179.4	0	0	113.1	Q58 H60	Q58-E62 PolarHBondContact O-N 3.24Å; H60-E62 VanDerWaalsContact C-N 3.26Å; H60-E62 PolarHBondContact O-N 3.03Å
63	E	79.9	Confident	79.1	Confident	81 Å²	81	66.6 Å²	66.6	38%	0.379	32%	0.319	S	S	.	.	S	Bend	trans	-72.8	146.6	179.2	-67.9	-176.7	-171.3	0	0	112.6	H60 Q61 I66 R67	H60-E63 IonicContact CD2-OE1 3.6Å; H60-E63 IonicContact CD2-OE2 3.95Å; H60-E63 PolarHBondContact O-N 3.27Å; Q61-E63 VanDerWaalsContact C-N 3.34Å; E63-I66 PolarHBondContact O-N 3.24Å; E63-R67 PolarHBondContact O-N 3.01Å
64	R	79.1	Confident	79.8	Confident	206 Å²	206	66.6 Å²	66.6	78%	0.777	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	137.6	169	-60.7	-165	169.7	-157.1	-0.5	109.4	Q68	R64-Q68 VanDerWaalsContact CG-NE2 3.35Å; R64-Q68 VanDerWaalsContact NE-NE2 3.13Å
65	P	80.3	Confident	80.5	Confident	34 Å²	34	62.3 Å²	62.3	22%	0.221	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.2	7.3	5.2	36.5	-37.5	0	0	0	115.8	A34 R67 Q68 I69 L94	A34-P65 HydrophobicContact CB-CG 4.01Å; P65-R67 PolarHBondContact O-N 3.16Å; P65-Q68 PolarHBondContact O-N 2.97Å; P65-Q68 PolarHBondContact O-OE1 3.04Å; P65-I69 WeakPolarHBondContact O-CG1 3.34Å; P65-I69 PolarHBondContact O-N 3.34Å; P65-L94 HydrophobicContact CB-CD1 3.94Å; P65-L94 HydrophobicContact CB-CD2 3.33Å; P65-L94 HydrophobicContact CB-CG 4.3Å; P65-L94 HydrophobicContact CG-CD2 3.94Å
66	I	82.4	Confident	81.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.2	-45	-174.4	-64.9	176.6	0	0	0	110.9	F28 T30 T33 L37 E63 Q68 I69 L70	F28-I66 HydrophobicContact CE1-CD1 3.91Å; F28-I66 HydrophobicContact CZ-CD1 3.67Å; T30-I66 HydrophobicContact CG2-CD1 3.79Å; T30-I66 HydrophobicContact CG2-CG1 3.93Å; T33-I66 HydrophobicContact CG2-CD1 3.88Å; T33-I66 HydrophobicContact CG2-CG1 4.46Å; L37-I66 HydrophobicContact CD1-CG2 3.86Å; E63-I66 PolarHBondContact O-N 3.24Å; I66-Q68 VanDerWaalsContact C-N 3.27Å; I66-Q68 PolarHBondContact O-N 2.86Å; I66-I69 PolarHBondContact O-N 3.39Å; I66-I69 VanDerWaalsContact O-N 3.09Å; I66-L70 HydrophobicContact CG2-CD1 3.95Å; I66-L70 HydrophobicContact CG2-CG 4.18Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 3Å
67	R	85.3	Confident	81.8	Confident	159 Å²	159	63.4 Å²	63.4	60%	0.6	30%	0.297	S	S	*	.	H	α-helix	trans	-55	-42.1	178.1	-173.6	177.1	171.2	176.6	-0.6	112.7	Q61 E63 P65 L70 Y71	Q61-R67 VanDerWaalsContact O-CA 3.29Å; Q61-R67 WeakPolarHBondContact O-CA 3.35Å; Q61-R67 VanDerWaalsContact O-CB 3.29Å; Q61-R67 WeakPolarHBondContact O-CB 3.41Å; Q61-R67 PolarHBondContact O-N 3.39Å; E63-R67 PolarHBondContact O-N 3.01Å; P65-R67 PolarHBondContact O-N 3.16Å; R67-L70 PolarHBondContact O-N 2.96Å; R67-Y71 WeakPolarHBondContact O-CB 3.34Å; R67-Y71 PolarHBondContact O-N 3Å
68	Q	85.6	Confident	82.2	Confident	28 Å²	28	61.8 Å²	61.8	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-44.8	177.9	-74.1	80.8	-4.7	0	0	111.3	R64 P65 I66 L70 Y71 L72 L94	R64-Q68 VanDerWaalsContact CG-NE2 3.35Å; R64-Q68 VanDerWaalsContact NE-NE2 3.13Å; P65-Q68 PolarHBondContact O-N 2.97Å; P65-Q68 PolarHBondContact O-OE1 3.04Å; I66-Q68 VanDerWaalsContact C-N 3.27Å; I66-Q68 PolarHBondContact O-N 2.86Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 3.26Å; Q68-Y71 WeakPolarHBondContact O-CB 3.45Å; Q68-Y71 PolarHBondContact O-N 2.83Å; Q68-L72 WeakPolarHBondContact O-CG 3.39Å; Q68-L72 PolarHBondContact O-N 3.29Å; Q68-L94 HydrophobicContact CB-CD1 4.05Å
69	I	85.3	Confident	82.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-38.5	-179.8	-61.1	163	0	0	0	110.6	A34 L37 L38 L41 P65 I66 Y71 L72 G73 L94	A34-I69 HydrophobicContact CB-CD1 3.45Å; A34-I69 VanDerWaalsContact CB-CD1 3.45Å; L37-I69 HydrophobicContact CB-CG2 3.62Å; L37-I69 HydrophobicContact CD1-CG2 4.41Å; L38-I69 HydrophobicContact CD1-CD1 4.03Å; L38-I69 HydrophobicContact CD1-CG1 4.47Å; L38-I69 HydrophobicContact CD2-CD1 4.46Å; L38-I69 HydrophobicContact CD2-CG1 4.09Å; L38-I69 HydrophobicContact CD2-CG2 4.02Å; L38-I69 HydrophobicContact CG-CD1 3.91Å; L38-I69 HydrophobicContact CG-CG1 4.08Å; L38-I69 HydrophobicContact CG-CG2 4.04Å; L41-I69 HydrophobicContact CD1-CG2 3.82Å; P65-I69 WeakPolarHBondContact O-CG1 3.34Å; P65-I69 PolarHBondContact O-N 3.34Å; I66-I69 PolarHBondContact O-N 3.39Å; I66-I69 VanDerWaalsContact O-N 3.09Å; I69-Y71 VanDerWaalsContact C-N 3.33Å; I69-L72 PolarHBondContact O-N 3.41Å; I69-G73 PolarHBondContact O-N 2.92Å; I69-L94 HydrophobicContact CG1-CD1 4.08Å
70	L	84.7	Confident	83.1	Confident	15 Å²	15	59.2 Å²	59.2	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-41.2	173.9	-69.3	178.5	0	0	0	112.1	L37 F49 K53 Q61 I66 R67 Q68 G73 D74	L37-L70 HydrophobicContact CD1-CD2 4.47Å; L37-L70 HydrophobicContact CD2-CD2 4.4Å; F49-L70 HydrophobicContact CZ-CD2 4.03Å; K53-L70 HydrophobicContact CB-CD2 4.29Å; K53-L70 HydrophobicContact CD-CD2 4.37Å; K53-L70 HydrophobicContact CG-CD2 3.95Å; Q61-L70 HydrophobicContact CB-CD1 3.72Å; Q61-L70 HydrophobicContact CG-CD1 3.83Å; I66-L70 HydrophobicContact CG2-CD1 3.95Å; I66-L70 HydrophobicContact CG2-CG 4.18Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 3Å; R67-L70 PolarHBondContact O-N 2.96Å; Q68-L70 VanDerWaalsContact C-N 3.32Å; Q68-L70 PolarHBondContact O-N 3.26Å; L70-G73 PolarHBondContact O-N 3.27Å; L70-D74 PolarHBondContact O-N 3.48Å
71	Y	87.4	Confident	83.7	Confident	131 Å²	131	57.7 Å²	57.7	51%	0.514	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-43.5	175.4	-179.5	-114	0	0	0	112.3	R67 Q68 I69 G73 D74 L75 A87	R67-Y71 WeakPolarHBondContact O-CB 3.34Å; R67-Y71 PolarHBondContact O-N 3Å; Q68-Y71 WeakPolarHBondContact O-CB 3.45Å; Q68-Y71 PolarHBondContact O-N 2.83Å; I69-Y71 VanDerWaalsContact C-N 3.33Å; Y71-G73 VanDerWaalsContact C-N 3.28Å; Y71-G73 PolarHBondContact O-N 2.89Å; Y71-D74 PolarHBondContact O-N 3.18Å; Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.65Å; Y71-L75 HydrophobicContact CE1-CG 4.34Å; Y71-L75 HydrophobicContact CE2-CD2 4.42Å; Y71-L75 HydrophobicContact CE2-CG 4.37Å; Y71-L75 WeakPolarHBondContact O-CG 3.39Å; Y71-L75 PolarHBondContact O-N 3.4Å; Y71-A87 HydrophobicContact CE1-CB 4.36Å
72	L	86.8	Confident	84.2	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-41	173.7	-72.3	174.3	0	0	0	111.9	Q68 I69 L75 L76 F84 A87 L88	Q68-L72 WeakPolarHBondContact O-CG 3.39Å; Q68-L72 PolarHBondContact O-N 3.29Å; I69-L72 PolarHBondContact O-N 3.41Å; L72-L75 PolarHBondContact O-N 3.08Å; L72-L76 PolarHBondContact O-N 2.66Å; L72-F84 HydrophobicContact CB-CD2 4.21Å; L72-F84 HydrophobicContact CB-CE2 3.98Å; L72-F84 HydrophobicContact CD2-CD2 3.92Å; L72-F84 HydrophobicContact CD2-CE2 4.06Å; L72-F84 WeakPolarHBondContact O-CD2 3.45Å; L72-A87 HydrophobicContact CD2-CB 3.64Å; L72-L88 HydrophobicContact CD1-CD1 3.97Å; L72-L88 HydrophobicContact CD2-CD1 4.48Å
73	G	85.3	Confident	84.7	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-42	175.4	0	0	0	0	0	114	L41 I69 L70 Y71 L75 L76 E77	L41-G73 VanDerWaalsContact CD2-CA 3.41Å; I69-G73 PolarHBondContact O-N 2.92Å; L70-G73 PolarHBondContact O-N 3.27Å; Y71-G73 VanDerWaalsContact C-N 3.28Å; Y71-G73 PolarHBondContact O-N 2.89Å; G73-L75 VanDerWaalsContact C-N 3.29Å; G73-L75 PolarHBondContact O-N 3.11Å; G73-L76 PolarHBondContact O-N 2.97Å; G73-L76 VanDerWaalsContact O-N 3.11Å; G73-E77 WeakPolarHBondContact O-CG 3.48Å; G73-E77 PolarHBondContact O-N 3.06Å
74	D	85.9	Confident	85.1	Confident	65 Å²	65	51.1 Å²	51.1	35%	0.348	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-39.2	176.1	-168.6	75.8	0	0	0	111.8	L70 Y71 L76 E77 T78	L70-D74 PolarHBondContact O-N 3.48Å; Y71-D74 PolarHBondContact O-N 3.18Å; D74-L76 PolarHBondContact O-N 3.03Å; D74-E77 PolarHBondContact O-N 3.39Å; D74-T78 WeakPolarHBondContact O-CB 3.43Å; D74-T78 WeakPolarHBondContact O-CG2 3.5Å; D74-T78 PolarHBondContact O-N 3.47Å; D74-T78 PolarHBondContact O-OG1 2.91Å
75	L	87.4	Confident	85.6	Confident	11 Å²	11	42.2 Å²	42.2	6%	0.058	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-38.2	173.8	-67.8	174.1	0	0	0	112.4	Y71 L72 G73 T78 C79 H80 A83 F84 A87	Y71-L75 HydrophobicContact CD1-CD1 4.12Å; Y71-L75 HydrophobicContact CE1-CD1 3.65Å; Y71-L75 HydrophobicContact CE1-CG 4.34Å; Y71-L75 HydrophobicContact CE2-CD2 4.42Å; Y71-L75 HydrophobicContact CE2-CG 4.37Å; Y71-L75 WeakPolarHBondContact O-CG 3.39Å; Y71-L75 PolarHBondContact O-N 3.4Å; L72-L75 PolarHBondContact O-N 3.08Å; G73-L75 VanDerWaalsContact C-N 3.29Å; G73-L75 PolarHBondContact O-N 3.11Å; L75-T78 PolarHBondContact O-OG1 3.44Å; L75-C79 PolarHBondContact O-N 3.27Å; L75-C79 VanDerWaalsContact O-N 3.11Å; L75-H80 HydrophobicContact CD2-CB 3.87Å; L75-H80 PolarHBondContact O-N 3.37Å; L75-A83 HydrophobicContact CD1-CB 4.21Å; L75-A83 HydrophobicContact CD2-CB 4.02Å; L75-F84 HydrophobicContact CB-CB 4.07Å; L75-F84 HydrophobicContact CD1-CB 4.45Å; L75-A87 HydrophobicContact CD1-CB 4.22Å
76	L	84.8	Confident	86.1	Confident	1 Å²	1	47 Å²	47	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-70.2	-41.2	174.9	-70.4	-179.6	0	0	0	112.4	L41 L44 L72 G73 D74 C79 F81 F84 V105 F108	L41-L76 HydrophobicContact CD2-CD1 4.36Å; L44-L76 HydrophobicContact CD1-CB 3.84Å; L44-L76 HydrophobicContact CD1-CD1 3.75Å; L44-L76 HydrophobicContact CD1-CG 4.44Å; L72-L76 PolarHBondContact O-N 2.66Å; G73-L76 PolarHBondContact O-N 2.97Å; G73-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 PolarHBondContact O-N 3.03Å; L76-C79 PolarHBondContact O-N 3.33Å; L76-F81 HydrophobicContact CD2-CD1 4.04Å; L76-F81 HydrophobicContact CD2-CE1 4.26Å; L76-F84 HydrophobicContact CD1-CD2 4.06Å; L76-F84 HydrophobicContact CD1-CE2 3.52Å; L76-F84 HydrophobicContact CD1-CZ 3.87Å; L76-F84 HydrophobicContact CD2-CB 4.32Å; L76-F84 HydrophobicContact CD2-CD1 3.94Å; L76-F84 HydrophobicContact CD2-CD2 3.68Å; L76-F84 HydrophobicContact CD2-CE1 4.17Å; L76-F84 HydrophobicContact CD2-CE2 3.88Å; L76-F84 HydrophobicContact CD2-CG 3.69Å; L76-F84 HydrophobicContact CD2-CZ 4.11Å; L76-F84 HydrophobicContact CG-CD2 3.52Å; L76-F84 HydrophobicContact CG-CE2 3.55Å; L76-F84 HydrophobicContact CG-CG 4.07Å; L76-F84 HydrophobicContact CG-CZ 4.17Å; L76-V105 HydrophobicContact CD1-CG1 4.36Å; L76-V105 HydrophobicContact CD1-CG2 4.21Å; L76-V105 HydrophobicContact CD2-CG1 3.78Å; L76-F108 HydrophobicContact CB-CE1 4.47Å
77	E	81.1	Confident	86.3	Confident	66 Å²	66	47.6 Å²	47.6	31%	0.308	23%	0.23	S	C	.	.	H	α-helix	trans	-63.7	-40.5	176.5	-73.3	-178.7	161.4	0	0	111.6	F49 T50 G73 D74 C79	F49-E77 WeakPolarHBondContact CD1-OE1 3.49Å; T50-E77 PolarHBondContact OG1-OE1 3.22Å; G73-E77 WeakPolarHBondContact O-CG 3.48Å; G73-E77 PolarHBondContact O-N 3.06Å; D74-E77 PolarHBondContact O-N 3.39Å; E77-C79 PolarHBondContact O-N 3.19Å
78	T	82.4	Confident	86.4	Confident	67 Å²	67	40.2 Å²	40.2	41%	0.411	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.1	176.5	59.2	0	0	0	0	113.8	D74 L75 H80	D74-T78 WeakPolarHBondContact O-CB 3.43Å; D74-T78 WeakPolarHBondContact O-CG2 3.5Å; D74-T78 PolarHBondContact O-N 3.47Å; D74-T78 PolarHBondContact O-OG1 2.91Å; L75-T78 PolarHBondContact O-OG1 3.44Å; T78-H80 VanDerWaalsContact CB-ND1 3.31Å; T78-H80 WeakPolarHBondContact CB-ND1 3.41Å; T78-H80 PolarHBondContact O-N 3.18Å; T78-H80 PolarHBondContact O-ND1 3.11Å; T78-H80 PolarHBondContact OG1-ND1 3.48Å
79	C	83.7	Confident	86.3	Confident	52 Å²	52	44.2 Å²	44.2	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	24.2	179.9	-57.5	0	0	0	0	115.1	L75 L76 E77 F81	L75-C79 PolarHBondContact O-N 3.27Å; L75-C79 VanDerWaalsContact O-N 3.11Å; L76-C79 PolarHBondContact O-N 3.33Å; E77-C79 PolarHBondContact O-N 3.19Å; C79-F81 VanDerWaalsContact C-N 3.26Å; C79-F81 HydrophobicContact CB-CE1 4.34Å; C79-F81 HydrophobicContact CB-CE2 4.02Å; C79-F81 HydrophobicContact CB-CZ 3.77Å; C79-F81 PolarHBondContact O-N 2.96Å
80	H	86.8	Confident	86.3	Confident	109 Å²	109	51.9 Å²	51.9	51%	0.505	26%	0.261	S	S	.	.			trans	-82.7	67.3	174.2	-69	90.5	0	0	0	111	L75 T78 Q82 A83 F84	L75-H80 HydrophobicContact CD2-CB 3.87Å; L75-H80 PolarHBondContact O-N 3.37Å; T78-H80 VanDerWaalsContact CB-ND1 3.31Å; T78-H80 WeakPolarHBondContact CB-ND1 3.41Å; T78-H80 PolarHBondContact O-N 3.18Å; T78-H80 PolarHBondContact O-ND1 3.11Å; T78-H80 PolarHBondContact OG1-ND1 3.48Å; H80-Q82 PolarHBondContact O-N 2.96Å; H80-A83 HydrophobicContact CB-CB 4.37Å; H80-A83 PolarHBondContact O-N 3.24Å; H80-F84 PolarHBondContact O-N 3.06Å
81	F	87.8	Confident	86.1	Confident	10 Å²	10	52.9 Å²	52.9	4%	0.044	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-35.8	-171.9	-53.9	-52.2	0	0	0	114.1	L76 C79 F84 W85 F108 I109 V112 M128	L76-F81 HydrophobicContact CD2-CD1 4.04Å; L76-F81 HydrophobicContact CD2-CE1 4.26Å; C79-F81 VanDerWaalsContact C-N 3.26Å; C79-F81 HydrophobicContact CB-CE1 4.34Å; C79-F81 HydrophobicContact CB-CE2 4.02Å; C79-F81 HydrophobicContact CB-CZ 3.77Å; C79-F81 PolarHBondContact O-N 2.96Å; F81-F84 WeakPolarHBondContact O-CB 3.4Å; F81-F84 PolarHBondContact O-N 3.23Å; F81-W85 PolarHBondContact O-N 3.35Å; F81-F108 HydrophobicContact CE1-CD1 4.43Å; F81-F108 HydrophobicContact CE1-CE1 4.14Å; F81-I109 HydrophobicContact CB-CD1 4.35Å; F81-I109 HydrophobicContact CD1-CD1 3.95Å; F81-I109 HydrophobicContact CD1-CG1 3.53Å; F81-I109 HydrophobicContact CD2-CG1 4.28Å; F81-I109 HydrophobicContact CD2-CG2 4.08Å; F81-I109 HydrophobicContact CE1-CD1 4.48Å; F81-I109 HydrophobicContact CE1-CG1 3.59Å; F81-I109 HydrophobicContact CE2-CG1 4.32Å; F81-I109 HydrophobicContact CE2-CG2 4.08Å; F81-I109 HydrophobicContact CG-CD1 4.13Å; F81-I109 HydrophobicContact CG-CG1 3.9Å; F81-I109 HydrophobicContact CG-CG2 4.44Å; F81-I109 HydrophobicContact CZ-CG1 3.99Å; F81-I109 HydrophobicContact CZ-CG2 4.44Å; F81-V112 HydrophobicContact CZ-CB 4.45Å; F81-V112 HydrophobicContact CZ-CG1 4.37Å; F81-M128 WeakPolarHBondContact CB-O 3.36Å; F81-M128 HydrophobicContact CD2-CB 4.28Å; F81-M128 HydrophobicContact CD2-CG 4.21Å; F81-M128 HydrophobicContact CD2-SD 4.44Å
82	Q	86.9	Confident	85.5	Confident	84 Å²	84	51.9 Å²	51.9	39%	0.393	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-50	178.7	-64.4	175.7	-6.5	0	0	111.9	H80 F84 W85 Q86 E127	H80-Q82 PolarHBondContact O-N 2.96Å; Q82-F84 PolarHBondContact O-N 2.97Å; Q82-W85 PolarHBondContact O-N 2.9Å; Q82-Q86 WeakPolarHBondContact O-CG 3.39Å; Q82-Q86 PolarHBondContact O-N 3.11Å; Q82-Q86 VanDerWaalsContact O-N 3.15Å; Q82-E127 HydrophobicContact CG-CG 4.04Å; Q82-E127 PolarHBondContact NE2-OE1 3.06Å; Q82-E127 PolarHBondContact NE2-OE2 3.43Å; Q82-E127 VanDerWaalsContact NE2-OE2 3.16Å
83	A	88.8	Confident	85.2	Confident	34 Å²	34	58.4 Å²	58.4	28%	0.281	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-34.6	175.9	0	0	0	0	0	111.2	L75 H80 A87	L75-A83 HydrophobicContact CD1-CB 4.21Å; L75-A83 HydrophobicContact CD2-CB 4.02Å; H80-A83 HydrophobicContact CB-CB 4.37Å; H80-A83 PolarHBondContact O-N 3.24Å; A83-A87 VanDerWaalsContact O-CB 3.25Å; A83-A87 WeakPolarHBondContact O-CB 3.35Å; A83-A87 PolarHBondContact O-N 3.35Å
84	F	90.2	Very high	84.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-50.1	174.7	170.8	-91.5	0	0	0	111.9	L72 L75 L76 H80 F81 Q82 Q86 A87 L88 F101 V105	L72-F84 HydrophobicContact CB-CD2 4.21Å; L72-F84 HydrophobicContact CB-CE2 3.98Å; L72-F84 HydrophobicContact CD2-CD2 3.92Å; L72-F84 HydrophobicContact CD2-CE2 4.06Å; L72-F84 WeakPolarHBondContact O-CD2 3.45Å; L75-F84 HydrophobicContact CB-CB 4.07Å; L75-F84 HydrophobicContact CD1-CB 4.45Å; L76-F84 HydrophobicContact CD1-CD2 4.06Å; L76-F84 HydrophobicContact CD1-CE2 3.52Å; L76-F84 HydrophobicContact CD1-CZ 3.87Å; L76-F84 HydrophobicContact CD2-CB 4.32Å; L76-F84 HydrophobicContact CD2-CD1 3.94Å; L76-F84 HydrophobicContact CD2-CD2 3.68Å; L76-F84 HydrophobicContact CD2-CE1 4.17Å; L76-F84 HydrophobicContact CD2-CE2 3.88Å; L76-F84 HydrophobicContact CD2-CG 3.69Å; L76-F84 HydrophobicContact CD2-CZ 4.11Å; L76-F84 HydrophobicContact CG-CD2 3.52Å; L76-F84 HydrophobicContact CG-CE2 3.55Å; L76-F84 HydrophobicContact CG-CG 4.07Å; L76-F84 HydrophobicContact CG-CZ 4.17Å; H80-F84 PolarHBondContact O-N 3.06Å; F81-F84 WeakPolarHBondContact O-CB 3.4Å; F81-F84 PolarHBondContact O-N 3.23Å; Q82-F84 PolarHBondContact O-N 2.97Å; F84-Q86 PolarHBondContact O-N 3.41Å; F84-A87 PolarHBondContact O-N 3Å; F84-L88 HydrophobicContact CE1-CD2 3.97Å; F84-L88 HydrophobicContact CZ-CD1 4.23Å; F84-L88 HydrophobicContact CZ-CD2 4.24Å; F84-L88 VanDerWaalsContact O-CB 3.27Å; F84-L88 WeakPolarHBondContact O-CB 3.36Å; F84-L88 PolarHBondContact O-N 2.96Å; F84-F101 AromaticContact CZ-CE1 3.79Å; F84-F101 HydrophobicContact CZ-CE1 3.79Å; F84-F101 HydrophobicContact CZ-CZ 4.02Å; F84-V105 HydrophobicContact CD1-CG1 4.26Å; F84-V105 HydrophobicContact CE1-CB 4.4Å; F84-V105 HydrophobicContact CE1-CG1 3.63Å; F84-V105 HydrophobicContact CE1-CG2 4.24Å; F84-V105 HydrophobicContact CZ-CG1 4.05Å; F84-V105 HydrophobicContact CZ-CG2 3.94Å
85	W	89.6	Confident	83.9	Confident	19 Å²	19	58.6 Å²	58.6	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-41.1	-179.9	-66.8	115.4	0	0	0	112.1	F81 Q82 L88 D89 E102 V105 R106 I109 M128 G130	F81-W85 PolarHBondContact O-N 3.35Å; Q82-W85 PolarHBondContact O-N 2.9Å; W85-L88 HydrophobicContact CE3-CD2 3.83Å; W85-L88 HydrophobicContact CZ3-CD2 3.83Å; W85-L88 WeakPolarHBondContact O-CB 3.35Å; W85-L88 PolarHBondContact O-N 2.74Å; W85-D89 PolarHBondContact O-N 2.89Å; W85-E102 HydrophobicContact CH2-CB 4.12Å; W85-E102 HydrophobicContact CZ3-CB 4.15Å; W85-E102 HydrophobicContact CZ3-CG 4.12Å; W85-V105 HydrophobicContact CH2-CB 4.36Å; W85-V105 HydrophobicContact CH2-CG1 4.2Å; W85-V105 HydrophobicContact CZ2-CG1 4.05Å; W85-R106 HydrophobicContact CH2-CG 3.99Å; W85-R106 HydrophobicContact CZ2-CG 3.88Å; W85-I109 HydrophobicContact CZ2-CD1 3.86Å; W85-M128 PolarHBondContact NE1-O 3.38Å; W85-G130 VanDerWaalsContact CD1-CA 3.45Å
86	Q	89.1	Confident	82.9	Confident	135 Å²	135	66 Å²	66	63%	0.631	34%	0.337	S	S	*	.	H	α-helix	trans	-61.8	-47.3	175.1	-69.5	177.7	-6	0	0	112.1	Q82 F84 L88 D89 E90	Q82-Q86 WeakPolarHBondContact O-CG 3.39Å; Q82-Q86 PolarHBondContact O-N 3.11Å; Q82-Q86 VanDerWaalsContact O-N 3.15Å; F84-Q86 PolarHBondContact O-N 3.41Å; Q86-L88 PolarHBondContact O-N 3.22Å; Q86-D89 PolarHBondContact O-N 3.39Å; Q86-E90 PolarHBondContact O-N 3.34Å
87	A	87.6	Confident	82	Confident	12 Å²	12	69.5 Å²	69.5	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-28.9	177	0	0	0	0	0	112	Y71 L72 L75 A83 F84 N91	Y71-A87 HydrophobicContact CE1-CB 4.36Å; L72-A87 HydrophobicContact CD2-CB 3.64Å; L75-A87 HydrophobicContact CD1-CB 4.22Å; A83-A87 VanDerWaalsContact O-CB 3.25Å; A83-A87 WeakPolarHBondContact O-CB 3.35Å; A83-A87 PolarHBondContact O-N 3.35Å; F84-A87 PolarHBondContact O-N 3Å; A87-N91 PolarHBondContact O-N 3.13Å; A87-N91 PolarHBondContact O-ND2 3.15Å
88	L	86.4	Confident	81.5	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-69.7	-43.7	176.3	-165.1	69.4	0	0	0	111.6	L72 F84 W85 Q86 E90 N91 M92 L95 F101	L72-L88 HydrophobicContact CD1-CD1 3.97Å; L72-L88 HydrophobicContact CD2-CD1 4.48Å; F84-L88 HydrophobicContact CE1-CD2 3.97Å; F84-L88 HydrophobicContact CZ-CD1 4.23Å; F84-L88 HydrophobicContact CZ-CD2 4.24Å; F84-L88 VanDerWaalsContact O-CB 3.27Å; F84-L88 WeakPolarHBondContact O-CB 3.36Å; F84-L88 PolarHBondContact O-N 2.96Å; W85-L88 HydrophobicContact CE3-CD2 3.83Å; W85-L88 HydrophobicContact CZ3-CD2 3.83Å; W85-L88 WeakPolarHBondContact O-CB 3.35Å; W85-L88 PolarHBondContact O-N 2.74Å; Q86-L88 PolarHBondContact O-N 3.22Å; L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 2.93Å; L88-N91 CarbonylContact O-C 3.28Å; L88-N91 VanDerWaalsContact O-C 3.28Å; L88-N91 PolarHBondContact O-N 3.26Å; L88-M92 PolarHBondContact O-N 2.9Å; L88-M92 VanDerWaalsContact O-N 3.09Å; L88-L95 HydrophobicContact CD1-CD1 3.71Å; L88-L95 HydrophobicContact CD1-CD2 4.09Å; L88-L95 HydrophobicContact CD1-CG 4.13Å; L88-L95 HydrophobicContact CD2-CD1 3.95Å; L88-L95 HydrophobicContact CG-CD1 3.78Å; L88-F101 HydrophobicContact CD1-CE1 3.75Å; L88-F101 HydrophobicContact CD1-CZ 4.44Å; L88-F101 HydrophobicContact CD2-CD1 4.34Å; L88-F101 HydrophobicContact CD2-CE1 4.02Å
89	D	84.9	Confident	81.1	Confident	112 Å²	112	71.9 Å²	71.9	60%	0.599	39%	0.391	S	S	*	.	H	α-helix	trans	-60.1	-36.8	177.2	-76.8	-14.6	0	0	0	111.8	W85 Q86 N91	W85-D89 PolarHBondContact O-N 2.89Å; Q86-D89 PolarHBondContact O-N 3.39Å; D89-N91 PolarHBondContact O-N 2.67Å
90	E	85	Confident	80.9	Confident	161 Å²	161	71.6 Å²	71.6	75%	0.752	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.8	174.3	-68.8	-177.5	-178.8	0	0	113.7	Q86 L88	Q86-E90 PolarHBondContact O-N 3.34Å; L88-E90 VanDerWaalsContact C-N 3.26Å; L88-E90 PolarHBondContact O-N 2.93Å
91	N	81	Confident	80.7	Confident	36 Å²	36	66.6 Å²	66.6	19%	0.193	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	28	-173.6	-66.1	-82.9	0	0	0	112.5	A87 L88 D89 D93 L94	A87-N91 PolarHBondContact O-N 3.13Å; A87-N91 PolarHBondContact O-ND2 3.15Å; L88-N91 CarbonylContact O-C 3.28Å; L88-N91 VanDerWaalsContact O-C 3.28Å; L88-N91 PolarHBondContact O-N 3.26Å; D89-N91 PolarHBondContact O-N 2.67Å; N91-D93 PolarHBondContact O-N 3.37Å; N91-D93 VanDerWaalsContact O-N 3.1Å; N91-L94 HydrophobicContact CB-CD1 3.9Å; N91-L94 HydrophobicContact CB-CG 4.23Å; N91-L94 WeakPolarHBondContact O-CB 3.5Å; N91-L94 PolarHBondContact O-N 3.4Å
92	M	74.9	Confident	80.6	Confident	110 Å²	110	69.8 Å²	69.8	54%	0.542	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-54.6	-31.4	-178	-79.5	-160.8	80.5	0	0	113.7	L88 L94 L95	L88-M92 PolarHBondContact O-N 2.9Å; L88-M92 VanDerWaalsContact O-N 3.09Å; M92-L94 PolarHBondContact O-N 3.15Å; M92-L94 VanDerWaalsContact O-N 3.12Å; M92-L95 PolarHBondContact O-N 2.95Å
93	D	80.3	Confident	80.5	Confident	139 Å²	139	68.4 Å²	68.4	74%	0.743	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-57.4	-27.2	177.2	-58	-47.3	0	0	0	112.6	N91 L95 E96	N91-D93 PolarHBondContact O-N 3.37Å; N91-D93 VanDerWaalsContact O-N 3.1Å; D93-L95 VanDerWaalsContact C-N 3.33Å; D93-E96 WeakPolarHBondContact O-CB 3.35Å
94	L	72.6	Confident	80.3	Confident	44 Å²	44	68.3 Å²	68.3	23%	0.23	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-75.3	-23	179.6	-56.3	-175.6	0	0	0	112.9	L38 P65 Q68 I69 N91 M92 E96	L38-L94 HydrophobicContact CD1-CB 4.36Å; L38-L94 WeakPolarHBondContact CD1-O 3.45Å; P65-L94 HydrophobicContact CB-CD1 3.94Å; P65-L94 HydrophobicContact CB-CD2 3.33Å; P65-L94 HydrophobicContact CB-CG 4.3Å; P65-L94 HydrophobicContact CG-CD2 3.94Å; Q68-L94 HydrophobicContact CB-CD1 4.05Å; I69-L94 HydrophobicContact CG1-CD1 4.08Å; N91-L94 HydrophobicContact CB-CD1 3.9Å; N91-L94 HydrophobicContact CB-CG 4.23Å; N91-L94 WeakPolarHBondContact O-CB 3.5Å; N91-L94 PolarHBondContact O-N 3.4Å; M92-L94 PolarHBondContact O-N 3.15Å; M92-L94 VanDerWaalsContact O-N 3.12Å; L94-E96 VanDerWaalsContact C-N 3.3Å
95	L	71	Confident	80.1	Confident	24 Å²	24	68.4 Å²	68.4	13%	0.126	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-85.5	-5.7	-179.8	-61.3	-179	0	0	0	113	L38 L88 M92 D93 G97 I98 F101	L38-L95 HydrophobicContact CD2-CD2 4.08Å; L88-L95 HydrophobicContact CD1-CD1 3.71Å; L88-L95 HydrophobicContact CD1-CD2 4.09Å; L88-L95 HydrophobicContact CD1-CG 4.13Å; L88-L95 HydrophobicContact CD2-CD1 3.95Å; L88-L95 HydrophobicContact CG-CD1 3.78Å; M92-L95 PolarHBondContact O-N 2.95Å; D93-L95 VanDerWaalsContact C-N 3.33Å; L95-G97 PolarHBondContact O-N 3.28Å; L95-I98 PolarHBondContact O-N 3.27Å; L95-F101 HydrophobicContact CD1-CD1 4.08Å; L95-F101 HydrophobicContact CD2-CB 4.31Å; L95-F101 HydrophobicContact CD2-CD1 3.53Å; L95-F101 HydrophobicContact CD2-CD2 4.01Å; L95-F101 HydrophobicContact CD2-CE1 3.75Å; L95-F101 HydrophobicContact CD2-CE2 4.24Å; L95-F101 HydrophobicContact CD2-CG 3.68Å; L95-F101 HydrophobicContact CD2-CZ 4.12Å; L95-F101 HydrophobicContact CG-CD1 4.45Å
96	E	66.3	Low	80.1	Confident	167 Å²	167	69.1 Å²	69.1	78%	0.78	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	112.4	-178.9	-158.3	178	-165.9	0	0	110.1	D93 L94	D93-E96 WeakPolarHBondContact O-CB 3.35Å; L94-E96 VanDerWaalsContact C-N 3.3Å
97	G	66.1	Low	79.9	Confident	74 Å²	74	66.5 Å²	66.5	76%	0.763	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	-4.5	-178.1	0	0	0	0	0	116.1	L95	L95-G97 PolarHBondContact O-N 3.28Å
98	I	71.1	Confident	79.8	Confident	41 Å²	41	66.5 Å²	66.5	21%	0.21	37%	0.368	C	S	.	.			trans	-103.6	91.3	174.4	-52.9	-179.5	0	0	0	110.1	L38 T42 L95 G100 F101	L38-I98 HydrophobicContact CB-CD1 3.29Å; L38-I98 HydrophobicContact CD1-CD1 3.7Å; L38-I98 HydrophobicContact CG-CD1 4.09Å; T42-I98 HydrophobicContact CG2-CG2 4.45Å; L95-I98 PolarHBondContact O-N 3.27Å; I98-G100 PolarHBondContact O-N 3.45Å; I98-F101 HydrophobicContact CB-CB 4.48Å; I98-F101 HydrophobicContact CG2-CB 3.94Å; I98-F101 HydrophobicContact CG2-CD2 4.38Å
99	T	73.1	Confident	79.8	Confident	143 Å²	143	66.3 Å²	66.3	88%	0.877	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	125.6	176.2	56.8	0	0	0	0	111
100	G	79.9	Confident	79.8	Confident	45 Å²	45	61 Å²	61	46%	0.464	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	14.1	174.4	0	0	0	0	0	115.4	I98 E102 D103 S104	I98-G100 PolarHBondContact O-N 3.45Å; G100-E102 PolarHBondContact O-N 2.99Å; G100-D103 PolarHBondContact O-N 3.09Å; G100-S104 PolarHBondContact O-N 2.92Å; G100-S104 VanDerWaalsContact O-N 3.08Å; G100-S104 PolarHBondContact O-OG 3.42Å
101	F	82.2	Confident	79.7	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-54.5	-52.2	175.5	180	-94.8	0	0	0	112.1	L38 L41 T42 F84 L88 L95 I98 D103 S104 V105	L38-F101 HydrophobicContact CD2-CE2 4.03Å; L38-F101 HydrophobicContact CD2-CZ 4.32Å; L41-F101 HydrophobicContact CB-CE2 4.11Å; T42-F101 HydrophobicContact CG2-CB 4.28Å; T42-F101 HydrophobicContact CG2-CD2 3.27Å; T42-F101 HydrophobicContact CG2-CE2 3.88Å; T42-F101 HydrophobicContact CG2-CG 4.1Å; F84-F101 AromaticContact CZ-CE1 3.79Å; F84-F101 HydrophobicContact CZ-CE1 3.79Å; F84-F101 HydrophobicContact CZ-CZ 4.02Å; L88-F101 HydrophobicContact CD1-CE1 3.75Å; L88-F101 HydrophobicContact CD1-CZ 4.44Å; L88-F101 HydrophobicContact CD2-CD1 4.34Å; L88-F101 HydrophobicContact CD2-CE1 4.02Å; L95-F101 HydrophobicContact CD1-CD1 4.08Å; L95-F101 HydrophobicContact CD2-CB 4.31Å; L95-F101 HydrophobicContact CD2-CD1 3.53Å; L95-F101 HydrophobicContact CD2-CD2 4.01Å; L95-F101 HydrophobicContact CD2-CE1 3.75Å; L95-F101 HydrophobicContact CD2-CE2 4.24Å; L95-F101 HydrophobicContact CD2-CG 3.68Å; L95-F101 HydrophobicContact CD2-CZ 4.12Å; L95-F101 HydrophobicContact CG-CD1 4.45Å; I98-F101 HydrophobicContact CB-CB 4.48Å; I98-F101 HydrophobicContact CG2-CB 3.94Å; I98-F101 HydrophobicContact CG2-CD2 4.38Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 3.35Å; F101-S104 WeakPolarHBondContact O-CB 3.47Å; F101-S104 PolarHBondContact O-N 2.99Å; F101-V105 HydrophobicContact CD1-CG2 4.22Å; F101-V105 HydrophobicContact CE1-CG2 3.82Å; F101-V105 HydrophobicContact CE2-CG2 4.5Å; F101-V105 HydrophobicContact CZ-CG2 3.96Å; F101-V105 WeakPolarHBondContact O-CG2 3.26Å; F101-V105 PolarHBondContact O-N 3.27Å
102	E	85.1	Confident	79.8	Confident	77 Å²	77	55.7 Å²	55.7	36%	0.36	31%	0.314	S	S	.	.	H	α-helix	trans	-63.6	-36.5	-178.9	-53.6	178.1	-179.6	0	0	113	W85 G100 S104 V105 R106	W85-E102 HydrophobicContact CH2-CB 4.12Å; W85-E102 HydrophobicContact CZ3-CB 4.15Å; W85-E102 HydrophobicContact CZ3-CG 4.12Å; G100-E102 PolarHBondContact O-N 2.99Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-V105 PolarHBondContact O-N 3.43Å; E102-R106 WeakPolarHBondContact O-CB 3.48Å; E102-R106 VanDerWaalsContact O-CG 3.23Å; E102-R106 WeakPolarHBondContact O-CG 3.42Å; E102-R106 PolarHBondContact O-N 2.91Å; E102-R106 IonicContact OE2-CZ 2.71Å; E102-R106 VanDerWaalsContact OE2-CZ 3.3Å; E102-R106 IonicContact OE2-NH1 3.46Å; E102-R106 PolarHBondContact OE2-NH1 3.47Å; E102-R106 IonicContact OE2-NH2 3.52Å; E102-R106 PolarHBondContact OE2-NH2 3.3Å
103	D	85.1	Confident	80.3	Confident	56 Å²	56	50.5 Å²	50.5	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-39.2	177	-175.9	81.4	0	0	0	110.8	G100 F101 K107 W140	G100-D103 PolarHBondContact O-N 3.09Å; F101-D103 VanDerWaalsContact C-N 3.33Å; F101-D103 PolarHBondContact O-N 3.35Å; D103-K107 VanDerWaalsContact O-CG 3.29Å; D103-K107 WeakPolarHBondContact O-CG 3.42Å; D103-K107 PolarHBondContact O-N 2.97Å; D103-K107 WeakPolarHBondContact OD2-CE 3.47Å; D103-K107 IonicContact OD2-NZ 2.81Å; D103-K107 PolarHBondContact OD2-NZ 3.27Å; D103-W140 WeakPolarHBondContact OD1-CH2 3.44Å; D103-W140 WeakPolarHBondContact OD1-CZ2 3.44Å
104	S	84.8	Confident	80.4	Confident	32 Å²	32	45 Å²	45	22%	0.224	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-44	173.4	-68.9	0	0	0	0	112.4	T42 G100 F101 E102 K107 F108	T42-S104 WeakPolarHBondContact O-CB 3.45Å; G100-S104 PolarHBondContact O-N 2.92Å; G100-S104 VanDerWaalsContact O-N 3.08Å; G100-S104 PolarHBondContact O-OG 3.42Å; F101-S104 WeakPolarHBondContact O-CB 3.47Å; F101-S104 PolarHBondContact O-N 2.99Å; E102-S104 VanDerWaalsContact C-N 3.34Å; S104-K107 WeakPolarHBondContact O-CB 3.29Å; S104-K107 PolarHBondContact O-N 2.95Å; S104-F108 PolarHBondContact O-N 2.97Å
105	V	86.8	Confident	80.8	Confident	2 Å²	2	45 Å²	45	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-44.3	176.3	175.5	0	0	0	0	111	L76 F84 W85 F101 E102 K107 F108 I109	L76-V105 HydrophobicContact CD1-CG1 4.36Å; L76-V105 HydrophobicContact CD1-CG2 4.21Å; L76-V105 HydrophobicContact CD2-CG1 3.78Å; F84-V105 HydrophobicContact CD1-CG1 4.26Å; F84-V105 HydrophobicContact CE1-CB 4.4Å; F84-V105 HydrophobicContact CE1-CG1 3.63Å; F84-V105 HydrophobicContact CE1-CG2 4.24Å; F84-V105 HydrophobicContact CZ-CG1 4.05Å; F84-V105 HydrophobicContact CZ-CG2 3.94Å; W85-V105 HydrophobicContact CH2-CB 4.36Å; W85-V105 HydrophobicContact CH2-CG1 4.2Å; W85-V105 HydrophobicContact CZ2-CG1 4.05Å; F101-V105 HydrophobicContact CD1-CG2 4.22Å; F101-V105 HydrophobicContact CE1-CG2 3.82Å; F101-V105 HydrophobicContact CE2-CG2 4.5Å; F101-V105 HydrophobicContact CZ-CG2 3.96Å; F101-V105 WeakPolarHBondContact O-CG2 3.26Å; F101-V105 PolarHBondContact O-N 3.27Å; E102-V105 PolarHBondContact O-N 3.43Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 2.99Å; V105-F108 WeakPolarHBondContact O-CB 3.39Å; V105-F108 PolarHBondContact O-N 3.08Å; V105-F108 VanDerWaalsContact O-N 3.11Å; V105-I109 HydrophobicContact CG1-CD1 3.77Å; V105-I109 HydrophobicContact CG1-CG1 4.36Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.15Å
106	R	88.4	Confident	81.2	Confident	33 Å²	33	47.1 Å²	47.1	13%	0.125	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-39.4	175.1	-72.6	174.5	-169.6	118.9	3.4	112.1	W85 E102 F108 I109 C110 L129 W140	W85-R106 HydrophobicContact CH2-CG 3.99Å; W85-R106 HydrophobicContact CZ2-CG 3.88Å; E102-R106 WeakPolarHBondContact O-CB 3.48Å; E102-R106 VanDerWaalsContact O-CG 3.23Å; E102-R106 WeakPolarHBondContact O-CG 3.42Å; E102-R106 PolarHBondContact O-N 2.91Å; E102-R106 IonicContact OE2-CZ 2.71Å; E102-R106 VanDerWaalsContact OE2-CZ 3.3Å; E102-R106 IonicContact OE2-NH1 3.46Å; E102-R106 PolarHBondContact OE2-NH1 3.47Å; E102-R106 IonicContact OE2-NH2 3.52Å; E102-R106 PolarHBondContact OE2-NH2 3.3Å; R106-F108 VanDerWaalsContact C-N 3.32Å; R106-F108 PolarHBondContact O-N 3.38Å; R106-I109 PolarHBondContact O-N 2.99Å; R106-C110 WeakPolarHBondContact O-CB 3.29Å; R106-C110 PolarHBondContact O-N 2.87Å; R106-C110 PolarHBondContact O-SG 3.4Å; R106-L129 HydrophobicContact CB-CD2 4Å; R106-L129 HydrophobicContact CG-CD2 4Å; R106-L129 PolarHBondContact NE-O 3.46Å; R106-W140 HydrophobicContact CB-CH2 3.77Å; R106-W140 HydrophobicContact CB-CZ2 3.75Å; R106-W140 HydrophobicContact CB-CZ3 4.26Å
107	K	85.9	Confident	81.9	Confident	80 Å²	80	43.1 Å²	43.1	35%	0.348	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-41.8	173.4	-78	165.5	176.5	151.7	0	112.3	D103 S104 V105 H111 W140 Y144	D103-K107 VanDerWaalsContact O-CG 3.29Å; D103-K107 WeakPolarHBondContact O-CG 3.42Å; D103-K107 PolarHBondContact O-N 2.97Å; D103-K107 WeakPolarHBondContact OD2-CE 3.47Å; D103-K107 IonicContact OD2-NZ 2.81Å; D103-K107 PolarHBondContact OD2-NZ 3.27Å; S104-K107 WeakPolarHBondContact O-CB 3.29Å; S104-K107 PolarHBondContact O-N 2.95Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 2.99Å; K107-H111 WeakPolarHBondContact O-CB 3.36Å; K107-H111 PolarHBondContact O-N 3.23Å; K107-W140 HydrophobicContact CG-CH2 3.9Å; K107-W140 HydrophobicContact CG-CZ3 3.74Å; K107-Y144 VanDerWaalsContact CA-OH 3.28Å; K107-Y144 WeakPolarHBondContact CA-OH 3.46Å; K107-Y144 WeakPolarHBondContact CB-OH 3.48Å; K107-Y144 WeakPolarHBondContact CG-OH 3.39Å; K107-Y144 PolarHBondContact O-OH 3.03Å
108	F	84.2	Confident	82.6	Confident	12 Å²	12	43.2 Å²	43.2	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-48.3	175.9	171.1	-107.9	0	0	0	111.1	L44 P45 L76 F81 S104 V105 R106 C110 H111 V112	L44-F108 HydrophobicContact CB-CB 4.46Å; L44-F108 HydrophobicContact CB-CD1 4.41Å; L44-F108 HydrophobicContact CB-CD2 3.69Å; L44-F108 HydrophobicContact CB-CE2 3.98Å; L44-F108 HydrophobicContact CB-CG 3.93Å; L44-F108 HydrophobicContact CB-CZ 4.44Å; L44-F108 HydrophobicContact CD1-CD1 4.41Å; L44-F108 HydrophobicContact CD1-CE1 4.33Å; P45-F108 HydrophobicContact CB-CD2 4.25Å; P45-F108 HydrophobicContact CB-CE2 3.94Å; L76-F108 HydrophobicContact CB-CE1 4.47Å; F81-F108 HydrophobicContact CE1-CD1 4.43Å; F81-F108 HydrophobicContact CE1-CE1 4.14Å; S104-F108 PolarHBondContact O-N 2.97Å; V105-F108 WeakPolarHBondContact O-CB 3.39Å; V105-F108 PolarHBondContact O-N 3.08Å; V105-F108 VanDerWaalsContact O-N 3.11Å; R106-F108 VanDerWaalsContact C-N 3.32Å; R106-F108 PolarHBondContact O-N 3.38Å; F108-C110 VanDerWaalsContact C-N 3.32Å; F108-C110 PolarHBondContact O-N 3.27Å; F108-H111 WeakPolarHBondContact O-CA 3.49Å; F108-H111 WeakPolarHBondContact O-CB 3.25Å; F108-H111 PolarHBondContact O-N 3.49Å; F108-V112 HydrophobicContact CD1-CG2 4.42Å; F108-V112 HydrophobicContact CD2-CG2 4.21Å; F108-V112 HydrophobicContact CE1-CG2 3.99Å; F108-V112 HydrophobicContact CE2-CG2 3.74Å; F108-V112 HydrophobicContact CZ-CG2 3.62Å; F108-V112 WeakPolarHBondContact O-CG2 3.18Å; F108-V112 PolarHBondContact O-N 3.29Å
109	I	87.4	Confident	83.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-56.5	-47.4	175.6	-64.8	160.5	0	0	0	110.4	F81 W85 V105 R106 H111 V112 V113 M128 L129	F81-I109 HydrophobicContact CB-CD1 4.35Å; F81-I109 HydrophobicContact CD1-CD1 3.95Å; F81-I109 HydrophobicContact CD1-CG1 3.53Å; F81-I109 HydrophobicContact CD2-CG1 4.28Å; F81-I109 HydrophobicContact CD2-CG2 4.08Å; F81-I109 HydrophobicContact CE1-CD1 4.48Å; F81-I109 HydrophobicContact CE1-CG1 3.59Å; F81-I109 HydrophobicContact CE2-CG1 4.32Å; F81-I109 HydrophobicContact CE2-CG2 4.08Å; F81-I109 HydrophobicContact CG-CD1 4.13Å; F81-I109 HydrophobicContact CG-CG1 3.9Å; F81-I109 HydrophobicContact CG-CG2 4.44Å; F81-I109 HydrophobicContact CZ-CG1 3.99Å; F81-I109 HydrophobicContact CZ-CG2 4.44Å; W85-I109 HydrophobicContact CZ2-CD1 3.86Å; V105-I109 HydrophobicContact CG1-CD1 3.77Å; V105-I109 HydrophobicContact CG1-CG1 4.36Å; V105-I109 WeakPolarHBondContact O-CG1 3.48Å; V105-I109 PolarHBondContact O-N 3.15Å; R106-I109 PolarHBondContact O-N 2.99Å; I109-H111 VanDerWaalsContact C-N 3.27Å; I109-H111 PolarHBondContact O-N 3.43Å; I109-V112 PolarHBondContact O-N 2.91Å; I109-V113 HydrophobicContact CG2-CG2 4.2Å; I109-V113 WeakPolarHBondContact O-CB 3.38Å; I109-V113 VanDerWaalsContact O-CG2 3.29Å; I109-V113 WeakPolarHBondContact O-CG2 3.45Å; I109-V113 PolarHBondContact O-N 3.01Å; I109-M128 WeakPolarHBondContact CD1-O 3.5Å; I109-M128 HydrophobicContact CG2-CB 4.22Å; I109-L129 HydrophobicContact CB-CD2 3.97Å; I109-L129 HydrophobicContact CD1-CD2 4.47Å; I109-L129 HydrophobicContact CG2-CD2 3.75Å; I109-L129 HydrophobicContact CG2-CG 4.48Å
110	C	85.6	Confident	83.8	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-36.9	176.9	-73	0	0	0	0	112.6	R106 F108 G114 Y144 W146	R106-C110 WeakPolarHBondContact O-CB 3.29Å; R106-C110 PolarHBondContact O-N 2.87Å; R106-C110 PolarHBondContact O-SG 3.4Å; F108-C110 VanDerWaalsContact C-N 3.32Å; F108-C110 PolarHBondContact O-N 3.27Å; C110-G114 PolarHBondContact O-N 3.45Å; C110-Y144 HydrophobicContact CB-CD1 4.07Å; C110-Y144 HydrophobicContact CB-CD2 4.04Å; C110-Y144 HydrophobicContact CB-CE1 3.66Å; C110-Y144 HydrophobicContact CB-CE2 3.66Å; C110-Y144 HydrophobicContact CB-CG 4.24Å; C110-Y144 VanDerWaalsContact CB-CZ 3.44Å; C110-W146 HydrophobicContact CB-CH2 3.87Å; C110-W146 HydrophobicContact CB-CZ2 4.45Å; C110-W146 WeakPolarHBondContact O-CZ2 3.47Å
111	H	82.8	Confident	84.3	Confident	82 Å²	82	38.9 Å²	38.9	38%	0.38	20%	0.195	S	C	.	.	H	α-helix	trans	-66.1	-47	175.3	-178	68.4	0	0	0	112.1	K107 F108 I109 G114 I115	K107-H111 WeakPolarHBondContact O-CB 3.36Å; K107-H111 PolarHBondContact O-N 3.23Å; F108-H111 WeakPolarHBondContact O-CA 3.49Å; F108-H111 WeakPolarHBondContact O-CB 3.25Å; F108-H111 PolarHBondContact O-N 3.49Å; I109-H111 VanDerWaalsContact C-N 3.27Å; I109-H111 PolarHBondContact O-N 3.43Å; H111-G114 PolarHBondContact O-N 3.41Å; H111-I115 WeakPolarHBondContact NE2-CD1 3.49Å; H111-I115 WeakPolarHBondContact O-CG1 3.5Å; H111-I115 PolarHBondContact O-N 3.11Å
112	V	83.2	Confident	84.4	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-50.6	176.6	175.2	0	0	0	0	110	F81 F108 I109 G114 I115 T116 I168	F81-V112 HydrophobicContact CZ-CB 4.45Å; F81-V112 HydrophobicContact CZ-CG1 4.37Å; F108-V112 HydrophobicContact CD1-CG2 4.42Å; F108-V112 HydrophobicContact CD2-CG2 4.21Å; F108-V112 HydrophobicContact CE1-CG2 3.99Å; F108-V112 HydrophobicContact CE2-CG2 3.74Å; F108-V112 HydrophobicContact CZ-CG2 3.62Å; F108-V112 WeakPolarHBondContact O-CG2 3.18Å; F108-V112 PolarHBondContact O-N 3.29Å; I109-V112 PolarHBondContact O-N 2.91Å; V112-G114 VanDerWaalsContact C-N 3.27Å; V112-G114 PolarHBondContact O-N 3.16Å; V112-I115 PolarHBondContact O-N 2.92Å; V112-T116 HydrophobicContact CG1-CG2 4.22Å; V112-T116 WeakPolarHBondContact O-CG2 3.26Å; V112-T116 PolarHBondContact O-N 3.49Å; V112-T116 PolarHBondContact O-OG1 3.3Å; V112-I168 HydrophobicContact CG1-CG2 4.36Å; V112-I168 HydrophobicContact CG2-CG2 4.08Å
113	V	85.6	Confident	84.5	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-38.2	179.7	168.8	0	0	0	0	111.5	I109 I115 T116 Y117 I120 L125 M128 W146 I156	I109-V113 HydrophobicContact CG2-CG2 4.2Å; I109-V113 WeakPolarHBondContact O-CB 3.38Å; I109-V113 VanDerWaalsContact O-CG2 3.29Å; I109-V113 WeakPolarHBondContact O-CG2 3.45Å; I109-V113 PolarHBondContact O-N 3.01Å; V113-I115 PolarHBondContact O-N 2.92Å; V113-T116 PolarHBondContact O-N 2.83Å; V113-Y117 HydrophobicContact CB-CD2 4.37Å; V113-Y117 HydrophobicContact CG1-CD2 4.08Å; V113-Y117 HydrophobicContact CG2-CD2 4.35Å; V113-Y117 PolarHBondContact O-N 2.82Å; V113-I120 HydrophobicContact CG1-CD1 4.07Å; V113-L125 HydrophobicContact CG1-CD1 4.13Å; V113-M128 HydrophobicContact CG2-SD 4.04Å; V113-W146 HydrophobicContact CB-CH2 4.17Å; V113-W146 HydrophobicContact CG1-CH2 3.84Å; V113-W146 HydrophobicContact CG1-CZ2 4.35Å; V113-W146 HydrophobicContact CG1-CZ3 4.46Å; V113-I156 HydrophobicContact CG1-CD1 3.23Å
114	G	81.9	Confident	84.6	Confident	23 Å²	23	45.7 Å²	45.7	24%	0.237	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-21.8	173.1	0	0	0	0	0	115.2	C110 H111 V112	C110-G114 PolarHBondContact O-N 3.45Å; H111-G114 PolarHBondContact O-N 3.41Å; V112-G114 VanDerWaalsContact C-N 3.27Å; V112-G114 PolarHBondContact O-N 3.16Å
115	I	80.3	Confident	84.7	Confident	44 Å²	44	44.1 Å²	44.1	23%	0.226	21%	0.205	C	C	.	.	H	α-helix	trans	-97.5	-37.2	178.8	-65.8	166.1	0	0	0	111.1	H111 V112 V113 K166 I168	H111-I115 WeakPolarHBondContact NE2-CD1 3.49Å; H111-I115 WeakPolarHBondContact O-CG1 3.5Å; H111-I115 PolarHBondContact O-N 3.11Å; V112-I115 PolarHBondContact O-N 2.92Å; V113-I115 PolarHBondContact O-N 2.92Å; I115-K166 HydrophobicContact CG1-CB 4.47Å; I115-K166 HydrophobicContact CG1-CD 4.24Å; I115-K166 HydrophobicContact CG2-CB 3.82Å; I115-I168 HydrophobicContact CG2-CG1 4.06Å
116	T	80.1	Confident	84.8	Confident	68 Å²	68	44.9 Å²	44.9	42%	0.417	21%	0.211	S	C	.	.	H	α-helix	trans	-94.5	-27	-168.7	54.3	0	0	0	0	114.2	V112 V113 I168	V112-T116 HydrophobicContact CG1-CG2 4.22Å; V112-T116 WeakPolarHBondContact O-CG2 3.26Å; V112-T116 PolarHBondContact O-N 3.49Å; V112-T116 PolarHBondContact O-OG1 3.3Å; V113-T116 PolarHBondContact O-N 2.83Å; T116-I168 HydrophobicContact CG2-CD1 3.6Å; T116-I168 HydrophobicContact CG2-CG1 4.46Å
117	Y	80	Confident	84.9	Confident	84 Å²	84	46.1 Å²	46.1	33%	0.329	22%	0.218	S	C	.	.			trans	-113	140.2	-175.8	-67.9	-92.2	0	0	0	112.2	V113 I120 M128 I156	V113-Y117 HydrophobicContact CB-CD2 4.37Å; V113-Y117 HydrophobicContact CG1-CD2 4.08Å; V113-Y117 HydrophobicContact CG2-CD2 4.35Å; V113-Y117 PolarHBondContact O-N 2.82Å; Y117-I120 HydrophobicContact CD1-CB 4.24Å; Y117-I120 HydrophobicContact CD1-CD1 4.4Å; Y117-I120 HydrophobicContact CD1-CG1 4.3Å; Y117-I120 HydrophobicContact CD2-CD1 4.34Å; Y117-I120 HydrophobicContact CE1-CD1 4.5Å; Y117-I120 HydrophobicContact CE2-CD1 4.44Å; Y117-I120 HydrophobicContact CG-CB 4.33Å; Y117-I120 HydrophobicContact CG-CD1 4.33Å; Y117-M128 HydrophobicContact CE2-CE 4.47Å; Y117-I156 WeakPolarHBondContact O-CB 3.46Å; Y117-I156 WeakPolarHBondContact O-CG2 3.32Å
118	Q	80.8	Confident	84.9	Confident	76 Å²	76	43.4 Å²	43.4	36%	0.355	21%	0.207	S	C	.	.	S	Bend	trans	-93.3	-45	166.9	-66.1	178.3	21.2	0	0	110.5	I156	Q118-I156 PolarHBondContact O-N 3.13Å
119	H	83.8	Confident	85	Confident	81 Å²	81	42.9 Å²	42.9	38%	0.375	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.6	171	-62.8	-100.1	0	0	0	108.5	D149 I154 F155	H119-D149 IonicContact CE1-OD2 3.97Å; H119-D149 PolarHBondContact CE1-OD2 3.26Å; H119-D149 IonicContact ND1-OD2 3.11Å; H119-D149 PolarHBondContact ND1-OD2 3.21Å; H119-I154 VanDerWaalsContact CA-O 3.31Å; H119-I154 WeakPolarHBondContact CA-O 2.9Å; H119-F155 AromaticContact CE1-CD2 3.44Å; H119-F155 VanDerWaalsContact CE1-CD2 3.44Å; H119-F155 WeakPolarHBondContact CE1-CD2 3.41Å; H119-F155 AromaticContact ND1-CD2 3.93Å; H119-F155 AromaticContact NE2-CD2 3.69Å
120	I	87.1	Confident	85	Confident	3 Å²	3	44 Å²	44	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.3	174.3	-168.9	169.7	0	0	0	109.4	V113 Y117 L124 L125 M128 I154 I156	V113-I120 HydrophobicContact CG1-CD1 4.07Å; Y117-I120 HydrophobicContact CD1-CB 4.24Å; Y117-I120 HydrophobicContact CD1-CD1 4.4Å; Y117-I120 HydrophobicContact CD1-CG1 4.3Å; Y117-I120 HydrophobicContact CD2-CD1 4.34Å; Y117-I120 HydrophobicContact CE1-CD1 4.5Å; Y117-I120 HydrophobicContact CE2-CD1 4.44Å; Y117-I120 HydrophobicContact CG-CB 4.33Å; Y117-I120 HydrophobicContact CG-CD1 4.33Å; I120-L124 HydrophobicContact CD1-CD2 4.3Å; I120-L124 HydrophobicContact CD1-CG 4.35Å; I120-L124 HydrophobicContact CG1-CB 4.38Å; I120-L124 HydrophobicContact CG1-CD2 4.08Å; I120-L124 HydrophobicContact CG1-CG 4.38Å; I120-L125 HydrophobicContact CD1-CB 4.18Å; I120-L125 HydrophobicContact CD1-CD1 4.27Å; I120-L125 HydrophobicContact CG1-CB 4.5Å; I120-L125 HydrophobicContact CG2-CB 4.23Å; I120-M128 HydrophobicContact CD1-CE 4.43Å; I120-M128 HydrophobicContact CD1-SD 3.91Å; I120-I154 HydrophobicContact CG2-CB 3.92Å; I120-I154 HydrophobicContact CG2-CG2 4.44Å; I120-I154 PolarHBondContact N-O 3.08Å; I120-I154 PolarHBondContact O-N 3.23Å; I120-I156 HydrophobicContact CB-CD1 4.44Å; I120-I156 HydrophobicContact CG2-CD1 3.64Å; I120-I156 HydrophobicContact CG2-CG1 4.2Å
121	D	88.6	Confident	85	Confident	54 Å²	54	50.2 Å²	50.2	29%	0.289	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	142.2	174.7	-65.3	-38.1	0	0	0	110.8	W123 L124 L125 Q153	D121-W123 VanDerWaalsContact C-N 3.28Å; D121-W123 HydrophobicContact CB-CG 4.28Å; D121-W123 PolarHBondContact O-N 3.23Å; D121-W123 PolarHBondContact OD2-NE1 2.94Å; D121-L124 HydrophobicContact CB-CB 4.29Å; D121-L124 PolarHBondContact O-N 3.39Å; D121-L125 PolarHBondContact O-N 3.34Å; D121-Q153 WeakPolarHBondContact OD1-CG 3.31Å; D121-Q153 PolarHBondContact OD1-NE2 3.02Å
122	R	85.3	Confident	85.1	Confident	79 Å²	79	47.1 Å²	47.1	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-41.8	-179.8	-175.5	-174.1	-166.9	144.6	16.2	113.1	L125 A126 D134 L137 I154	R122-L125 PolarHBondContact O-N 3.07Å; R122-A126 PolarHBondContact O-N 3.31Å; R122-D134 IonicContact CZ-OD1 2.84Å; R122-D134 IonicContact CZ-OD2 3.74Å; R122-D134 IonicContact NE-OD1 2.86Å; R122-D134 PolarHBondContact NE-OD1 3.05Å; R122-D134 IonicContact NH1-OD1 2.66Å; R122-D134 IonicContact NH2-OD1 3.3Å; R122-D134 PolarHBondContact NH2-OD1 2.99Å; R122-D134 IonicContact NH2-OD2 3.47Å; R122-D134 PolarHBondContact NH2-OD2 3.1Å; R122-L137 HydrophobicContact CG-CD2 3.62Å; R122-I154 HydrophobicContact CB-CD1 4.2Å; R122-I154 HydrophobicContact CB-CG1 4.41Å; R122-I154 HydrophobicContact CG-CD1 4.27Å
123	W	86.9	Confident	85.2	Confident	165 Å²	165	49.4 Å²	49.4	63%	0.625	25%	0.252	S	S	*	.	H	α-helix	trans	-64.5	-44	-179.3	67.7	-89	0	0	0	110.9	D121 L125 A126 E127	D121-W123 VanDerWaalsContact C-N 3.28Å; D121-W123 HydrophobicContact CB-CG 4.28Å; D121-W123 PolarHBondContact O-N 3.23Å; D121-W123 PolarHBondContact OD2-NE1 2.94Å; W123-L125 PolarHBondContact O-N 3.45Å; W123-A126 WeakPolarHBondContact O-CB 3.1Å; W123-A126 PolarHBondContact O-N 3.46Å; W123-E127 WeakPolarHBondContact CZ3-OE2 3.42Å; W123-E127 PolarHBondContact O-N 3.23Å
124	L	87.9	Confident	85.1	Confident	35 Å²	35	53.1 Å²	53.1	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-40.9	178.8	-177	63.1	0	0	0	111.7	I120 D121 A126 E127 M128	I120-L124 HydrophobicContact CD1-CD2 4.3Å; I120-L124 HydrophobicContact CD1-CG 4.35Å; I120-L124 HydrophobicContact CG1-CB 4.38Å; I120-L124 HydrophobicContact CG1-CD2 4.08Å; I120-L124 HydrophobicContact CG1-CG 4.38Å; D121-L124 HydrophobicContact CB-CB 4.29Å; D121-L124 PolarHBondContact O-N 3.39Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.21Å; L124-E127 PolarHBondContact O-N 2.93Å; L124-M128 HydrophobicContact CD1-CE 3.99Å; L124-M128 HydrophobicContact CD2-CE 4.01Å; L124-M128 HydrophobicContact CG-CE 3.83Å; L124-M128 HydrophobicContact CG-SD 4.46Å; L124-M128 VanDerWaalsContact O-CG 3.31Å; L124-M128 WeakPolarHBondContact O-CG 3.44Å; L124-M128 PolarHBondContact O-N 2.87Å
125	L	87.1	Confident	85.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-40.4	176	-177.2	66.6	0	0	0	111.9	V113 I120 D121 R122 W123 E127 M128 L129 L137 W146 I154	V113-L125 HydrophobicContact CG1-CD1 4.13Å; I120-L125 HydrophobicContact CD1-CB 4.18Å; I120-L125 HydrophobicContact CD1-CD1 4.27Å; I120-L125 HydrophobicContact CG1-CB 4.5Å; I120-L125 HydrophobicContact CG2-CB 4.23Å; D121-L125 PolarHBondContact O-N 3.34Å; R122-L125 PolarHBondContact O-N 3.07Å; W123-L125 PolarHBondContact O-N 3.45Å; L125-E127 VanDerWaalsContact C-N 3.33Å; L125-M128 PolarHBondContact O-N 3.34Å; L125-L129 HydrophobicContact CD1-CD1 4.09Å; L125-L129 HydrophobicContact CD1-CG 4.37Å; L125-L129 HydrophobicContact CG-CD1 3.99Å; L125-L129 WeakPolarHBondContact O-CB 3.01Å; L125-L129 WeakPolarHBondContact O-CG 3.26Å; L125-L129 PolarHBondContact O-N 2.92Å; L125-L129 VanDerWaalsContact O-N 3.1Å; L125-L137 HydrophobicContact CD2-CD1 3.77Å; L125-L137 HydrophobicContact CG-CD1 3.88Å; L125-W146 HydrophobicContact CD1-CH2 4.47Å; L125-W146 HydrophobicContact CD1-CZ3 3.89Å; L125-W146 HydrophobicContact CD2-CE3 3.92Å; L125-W146 HydrophobicContact CD2-CZ3 3.72Å; L125-W146 HydrophobicContact CG-CZ3 4.46Å; L125-I154 HydrophobicContact CB-CD1 4.24Å; L125-I154 HydrophobicContact CD2-CD1 3.39Å; L125-I154 HydrophobicContact CG-CD1 4.44Å
126	A	88.6	Confident	85.6	Confident	17 Å²	17	58.3 Å²	58.3	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-61.8	-44.1	176.5	0	0	0	0	0	111.2	R122 W123 L124 L129 G130 D131 L132 L137	R122-A126 PolarHBondContact O-N 3.31Å; W123-A126 WeakPolarHBondContact O-CB 3.1Å; W123-A126 PolarHBondContact O-N 3.46Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.21Å; A126-L129 PolarHBondContact O-N 3.36Å; A126-G130 PolarHBondContact O-N 3.3Å; A126-D131 WeakPolarHBondContact O-CA 3.39Å; A126-D131 PolarHBondContact O-N 3.37Å; A126-L132 PolarHBondContact O-N 3.41Å; A126-L137 HydrophobicContact CB-CD2 4.27Å
127	E	89.1	Confident	85.8	Confident	59 Å²	59	55.1 Å²	55.1	28%	0.276	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-44.2	178.2	-159.8	-178.7	174.1	0	0	111.4	Q82 W123 L124 L125 L129 G130	Q82-E127 HydrophobicContact CG-CG 4.04Å; Q82-E127 PolarHBondContact NE2-OE1 3.06Å; Q82-E127 PolarHBondContact NE2-OE2 3.43Å; Q82-E127 VanDerWaalsContact NE2-OE2 3.16Å; W123-E127 WeakPolarHBondContact CZ3-OE2 3.42Å; W123-E127 PolarHBondContact O-N 3.23Å; L124-E127 PolarHBondContact O-N 2.93Å; L125-E127 VanDerWaalsContact C-N 3.33Å; E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.2Å; E127-G130 PolarHBondContact O-N 3.08Å
128	M	87.1	Confident	86.1	Confident	24 Å²	24	56.8 Å²	56.8	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-33.3	175.6	-73.2	-179	177.2	0	0	112.8	F81 W85 I109 V113 Y117 I120 L124 L125 G130	F81-M128 WeakPolarHBondContact CB-O 3.36Å; F81-M128 HydrophobicContact CD2-CB 4.28Å; F81-M128 HydrophobicContact CD2-CG 4.21Å; F81-M128 HydrophobicContact CD2-SD 4.44Å; W85-M128 PolarHBondContact NE1-O 3.38Å; I109-M128 WeakPolarHBondContact CD1-O 3.5Å; I109-M128 HydrophobicContact CG2-CB 4.22Å; V113-M128 HydrophobicContact CG2-SD 4.04Å; Y117-M128 HydrophobicContact CE2-CE 4.47Å; I120-M128 HydrophobicContact CD1-CE 4.43Å; I120-M128 HydrophobicContact CD1-SD 3.91Å; L124-M128 HydrophobicContact CD1-CE 3.99Å; L124-M128 HydrophobicContact CD2-CE 4.01Å; L124-M128 HydrophobicContact CG-CE 3.83Å; L124-M128 HydrophobicContact CG-SD 4.46Å; L124-M128 VanDerWaalsContact O-CG 3.31Å; L124-M128 WeakPolarHBondContact O-CG 3.44Å; L124-M128 PolarHBondContact O-N 2.87Å; L125-M128 PolarHBondContact O-N 3.34Å; M128-G130 VanDerWaalsContact C-N 3.3Å; M128-G130 PolarHBondContact O-N 2.98Å
129	L	87	Confident	86.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	4.9	-179.6	-67.1	172.9	0	0	0	114.2	R106 I109 L125 A126 E127 L132 L137	R106-L129 HydrophobicContact CB-CD2 4Å; R106-L129 HydrophobicContact CG-CD2 4Å; R106-L129 PolarHBondContact NE-O 3.46Å; I109-L129 HydrophobicContact CB-CD2 3.97Å; I109-L129 HydrophobicContact CD1-CD2 4.47Å; I109-L129 HydrophobicContact CG2-CD2 3.75Å; I109-L129 HydrophobicContact CG2-CG 4.48Å; L125-L129 HydrophobicContact CD1-CD1 4.09Å; L125-L129 HydrophobicContact CD1-CG 4.37Å; L125-L129 HydrophobicContact CG-CD1 3.99Å; L125-L129 WeakPolarHBondContact O-CB 3.01Å; L125-L129 WeakPolarHBondContact O-CG 3.26Å; L125-L129 PolarHBondContact O-N 2.92Å; L125-L129 VanDerWaalsContact O-N 3.1Å; A126-L129 PolarHBondContact O-N 3.36Å; E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.2Å; L129-L132 HydrophobicContact CB-CD1 3.62Å; L129-L132 HydrophobicContact CB-CG 3.96Å; L129-L132 HydrophobicContact CD1-CD1 4.1Å; L129-L132 HydrophobicContact CG-CD1 4.45Å; L129-L137 HydrophobicContact CD1-CD1 3.73Å
130	G	86.9	Confident	86.6	Confident	24 Å²	24	55.1 Å²	55.1	25%	0.247	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	54.1	177.5	0	0	0	0	0	112.6	W85 A126 E127 M128 L132	W85-G130 VanDerWaalsContact CD1-CA 3.45Å; A126-G130 PolarHBondContact O-N 3.3Å; E127-G130 PolarHBondContact O-N 3.08Å; M128-G130 VanDerWaalsContact C-N 3.3Å; M128-G130 PolarHBondContact O-N 2.98Å; G130-L132 VanDerWaalsContact C-N 3.3Å; G130-L132 PolarHBondContact O-N 3.1Å
131	D	85.6	Confident	86.5	Confident	130 Å²	130	55.6 Å²	55.6	70%	0.695	29%	0.288	S	S	*	.	S	Bend	trans	49.5	45.6	177.2	-68.3	-30	0	0	0	114.3	A126	A126-D131 WeakPolarHBondContact O-CA 3.39Å; A126-D131 PolarHBondContact O-N 3.37Å
132	L	84.1	Confident	86.4	Confident	18 Å²	18	57.8 Å²	57.8	9%	0.094	31%	0.307	C	S	.	.			trans	-64.3	143.7	179.7	-68.6	-176	0	0	0	112.3	A126 L129 G130 Q136	A126-L132 PolarHBondContact O-N 3.41Å; L129-L132 HydrophobicContact CB-CD1 3.62Å; L129-L132 HydrophobicContact CB-CG 3.96Å; L129-L132 HydrophobicContact CD1-CD1 4.1Å; L129-L132 HydrophobicContact CG-CD1 4.45Å; G130-L132 VanDerWaalsContact C-N 3.3Å; G130-L132 PolarHBondContact O-N 3.1Å; L132-Q136 HydrophobicContact CB-CB 4.3Å; L132-Q136 HydrophobicContact CD1-CB 4.47Å; L132-Q136 HydrophobicContact CD2-CB 4.47Å
133	S	86.1	Confident	86.5	Confident	53 Å²	53	59.7 Å²	59.7	37%	0.371	32%	0.318	S	S	.	.			trans	-64.5	156.2	170.8	65.8	0	0	0	0	112	S135 Q136 L137	S133-S135 PolarHBondContact O-N 3.25Å; S133-S135 VanDerWaalsContact O-N 3.11Å; S133-S135 PolarHBondContact OG-OG 2.93Å; S133-Q136 PolarHBondContact O-N 3.24Å; S133-Q136 WeakPolarHBondContact OG-CG 3.4Å; S133-Q136 PolarHBondContact OG-OE1 2.86Å; S133-L137 PolarHBondContact O-N 3.45Å
134	D	82.9	Confident	86.2	Confident	78 Å²	78	55.6 Å²	55.6	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-56.1	-33.8	-177.1	-156.7	63.9	0	0	0	114.1	R122 K138	R122-D134 IonicContact CZ-OD1 2.84Å; R122-D134 IonicContact CZ-OD2 3.74Å; R122-D134 IonicContact NE-OD1 2.86Å; R122-D134 PolarHBondContact NE-OD1 3.05Å; R122-D134 IonicContact NH1-OD1 2.66Å; R122-D134 IonicContact NH2-OD1 3.3Å; R122-D134 PolarHBondContact NH2-OD1 2.99Å; R122-D134 IonicContact NH2-OD2 3.47Å; R122-D134 PolarHBondContact NH2-OD2 3.1Å; D134-K138 WeakPolarHBondContact O-CG 3.28Å; D134-K138 PolarHBondContact O-N 3.17Å; D134-K138 VanDerWaalsContact OD2-CE 3.32Å; D134-K138 WeakPolarHBondContact OD2-CE 3.48Å; D134-K138 IonicContact OD2-NZ 3.45Å; D134-K138 PolarHBondContact OD2-NZ 3.18Å
135	S	86	Confident	85.9	Confident	80 Å²	80	57 Å²	57	56%	0.559	33%	0.326	S	S	*	.	H	α-helix	trans	-71.9	-43.1	178.6	56.4	0	0	0	0	111.9	S133 K138 V139	S133-S135 PolarHBondContact O-N 3.25Å; S133-S135 VanDerWaalsContact O-N 3.11Å; S133-S135 PolarHBondContact OG-OG 2.93Å; S135-K138 PolarHBondContact O-N 3.04Å; S135-V139 WeakPolarHBondContact O-CG2 3.46Å; S135-V139 PolarHBondContact O-N 3.08Å
136	Q	86	Confident	85.9	Confident	96 Å²	96	58 Å²	58	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-42.1	176.8	-70.7	167.1	-46.3	0	0	110.9	L132 S133 K138 V139 W140	L132-Q136 HydrophobicContact CB-CB 4.3Å; L132-Q136 HydrophobicContact CD1-CB 4.47Å; L132-Q136 HydrophobicContact CD2-CB 4.47Å; S133-Q136 PolarHBondContact O-N 3.24Å; S133-Q136 WeakPolarHBondContact OG-CG 3.4Å; S133-Q136 PolarHBondContact OG-OE1 2.86Å; Q136-K138 VanDerWaalsContact C-N 3.3Å; Q136-K138 PolarHBondContact O-N 2.95Å; Q136-V139 WeakPolarHBondContact O-CB 3.49Å; Q136-V139 PolarHBondContact O-N 3.33Å; Q136-V139 VanDerWaalsContact O-N 3.08Å; Q136-W140 VanDerWaalsContact O-CD1 3.26Å; Q136-W140 PolarHBondContact O-N 3.12Å; Q136-W140 VanDerWaalsContact O-N 3.14Å
137	L	85.6	Confident	85.6	Confident	2 Å²	2	60 Å²	60	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-57.2	-44.1	177	-170.2	67.2	0	0	0	111.4	R122 L125 A126 L129 S133 V139 W140 M141	R122-L137 HydrophobicContact CG-CD2 3.62Å; L125-L137 HydrophobicContact CD2-CD1 3.77Å; L125-L137 HydrophobicContact CG-CD1 3.88Å; A126-L137 HydrophobicContact CB-CD2 4.27Å; L129-L137 HydrophobicContact CD1-CD1 3.73Å; S133-L137 PolarHBondContact O-N 3.45Å; L137-V139 VanDerWaalsContact C-N 3.3Å; L137-V139 PolarHBondContact O-N 3.4Å; L137-W140 PolarHBondContact O-N 2.92Å; L137-M141 HydrophobicContact CD2-SD 4.44Å; L137-M141 HydrophobicContact CG-CG 4.44Å; L137-M141 HydrophobicContact CG-SD 4.07Å; L137-M141 VanDerWaalsContact O-CG 3.25Å; L137-M141 WeakPolarHBondContact O-CG 3.47Å; L137-M141 PolarHBondContact O-N 2.93Å
138	K	85.6	Confident	85.1	Confident	118 Å²	118	60 Å²	60	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-60.7	-36.4	176.2	-75.1	176.9	-172.4	174.2	0	113.2	D134 S135 Q136 M141 S142	D134-K138 WeakPolarHBondContact O-CG 3.28Å; D134-K138 PolarHBondContact O-N 3.17Å; D134-K138 VanDerWaalsContact OD2-CE 3.32Å; D134-K138 WeakPolarHBondContact OD2-CE 3.48Å; D134-K138 IonicContact OD2-NZ 3.45Å; D134-K138 PolarHBondContact OD2-NZ 3.18Å; S135-K138 PolarHBondContact O-N 3.04Å; Q136-K138 VanDerWaalsContact C-N 3.3Å; Q136-K138 PolarHBondContact O-N 2.95Å; K138-M141 PolarHBondContact O-N 3.42Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.1Å
139	V	88.8	Confident	84.7	Confident	100 Å²	100	61.8 Å²	61.8	61%	0.606	36%	0.362	S	S	*	.	H	α-helix	trans	-63.8	-44.9	175.8	175	0	0	0	0	110.5	S135 Q136 L137 S142 K143	S135-V139 WeakPolarHBondContact O-CG2 3.46Å; S135-V139 PolarHBondContact O-N 3.08Å; Q136-V139 WeakPolarHBondContact O-CB 3.49Å; Q136-V139 PolarHBondContact O-N 3.33Å; Q136-V139 VanDerWaalsContact O-N 3.08Å; L137-V139 VanDerWaalsContact C-N 3.3Å; L137-V139 PolarHBondContact O-N 3.4Å; V139-S142 PolarHBondContact O-N 3.38Å; V139-K143 WeakPolarHBondContact O-CB 3.5Å; V139-K143 PolarHBondContact O-N 3.41Å; V139-K143 VanDerWaalsContact O-N 3.09Å
140	W	86	Confident	83.7	Confident	22 Å²	22	71.8 Å²	71.8	8%	0.083	41%	0.409	C	S	.	.	H	α-helix	trans	-65.3	-45.1	176.4	-76.1	102.7	0	0	0	112	D103 R106 K107 Q136 L137 S142 K143 Y144	D103-W140 WeakPolarHBondContact OD1-CH2 3.44Å; D103-W140 WeakPolarHBondContact OD1-CZ2 3.44Å; R106-W140 HydrophobicContact CB-CH2 3.77Å; R106-W140 HydrophobicContact CB-CZ2 3.75Å; R106-W140 HydrophobicContact CB-CZ3 4.26Å; K107-W140 HydrophobicContact CG-CH2 3.9Å; K107-W140 HydrophobicContact CG-CZ3 3.74Å; Q136-W140 VanDerWaalsContact O-CD1 3.26Å; Q136-W140 PolarHBondContact O-N 3.12Å; Q136-W140 VanDerWaalsContact O-N 3.14Å; L137-W140 PolarHBondContact O-N 2.92Å; W140-S142 VanDerWaalsContact C-N 3.34Å; W140-S142 PolarHBondContact O-N 3.22Å; W140-K143 HydrophobicContact CE3-CD 4.32Å; W140-K143 HydrophobicContact CZ3-CD 4.35Å; W140-K143 WeakPolarHBondContact O-CB 3.35Å; W140-K143 PolarHBondContact O-N 3.32Å; W140-K143 VanDerWaalsContact O-N 3.12Å; W140-Y144 HydrophobicContact CE3-CD2 4.32Å; W140-Y144 AromaticContact CE3-CE2 3.72Å; W140-Y144 HydrophobicContact CE3-CE2 3.72Å; W140-Y144 AromaticContact CZ3-CE2 3.9Å; W140-Y144 HydrophobicContact CZ3-CE2 3.9Å; W140-Y144 WeakPolarHBondContact O-CD2 3.22Å; W140-Y144 PolarHBondContact O-N 3.06Å; W140-Y144 VanDerWaalsContact O-N 3.17Å
141	M	85.6	Confident	82.8	Confident	13 Å²	13	75.4 Å²	75.4	6%	0.064	43%	0.431	C	S	.	.	H	α-helix	trans	-56.9	-47.2	174.9	-69.4	169.9	67.4	0	0	111.7	L137 K138 K143 Y144 G145 W146 A148 I154	L137-M141 HydrophobicContact CD2-SD 4.44Å; L137-M141 HydrophobicContact CG-CG 4.44Å; L137-M141 HydrophobicContact CG-SD 4.07Å; L137-M141 VanDerWaalsContact O-CG 3.25Å; L137-M141 WeakPolarHBondContact O-CG 3.47Å; L137-M141 PolarHBondContact O-N 2.93Å; K138-M141 PolarHBondContact O-N 3.42Å; M141-K143 VanDerWaalsContact C-N 3.25Å; M141-K143 PolarHBondContact O-N 3.39Å; M141-Y144 CarbonylContact O-C 3.59Å; M141-Y144 PolarHBondContact O-N 3.43Å; M141-G145 PolarHBondContact O-N 2.78Å; M141-W146 HydrophobicContact CB-CB 4.23Å; M141-W146 HydrophobicContact CG-CB 4.43Å; M141-W146 HydrophobicContact CG-CE3 4.4Å; M141-W146 PolarHBondContact O-N 3.28Å; M141-A148 HydrophobicContact CE-CB 4.12Å; M141-I154 HydrophobicContact CE-CB 4.46Å; M141-I154 HydrophobicContact CE-CD1 3.86Å; M141-I154 HydrophobicContact CE-CG1 3.77Å; M141-I154 HydrophobicContact CE-CG2 3.95Å; M141-I154 HydrophobicContact CG-CD1 4.31Å; M141-I154 HydrophobicContact SD-CD1 3.72Å; M141-I154 HydrophobicContact SD-CG1 4.31Å
142	S	86.5	Confident	82.1	Confident	101 Å²	101	71.1 Å²	71.1	71%	0.706	42%	0.417	S	S	*	.	H	α-helix	trans	-63.1	-31.4	178.6	-175.4	0	0	0	0	112.9	K138 V139 W140	K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.1Å; V139-S142 PolarHBondContact O-N 3.38Å; W140-S142 VanDerWaalsContact C-N 3.34Å; W140-S142 PolarHBondContact O-N 3.22Å
143	K	86.2	Confident	82	Confident	118 Å²	118	73.7 Å²	73.7	51%	0.513	43%	0.429	S	S	.	.	H	α-helix	trans	-72	-32.2	179	-173.1	178	-177.4	178.3	0	112.5	V139 W140 M141	V139-K143 WeakPolarHBondContact O-CB 3.5Å; V139-K143 PolarHBondContact O-N 3.41Å; V139-K143 VanDerWaalsContact O-N 3.09Å; W140-K143 HydrophobicContact CE3-CD 4.32Å; W140-K143 HydrophobicContact CZ3-CD 4.35Å; W140-K143 WeakPolarHBondContact O-CB 3.35Å; W140-K143 PolarHBondContact O-N 3.32Å; W140-K143 VanDerWaalsContact O-N 3.12Å; M141-K143 VanDerWaalsContact C-N 3.25Å; M141-K143 PolarHBondContact O-N 3.39Å
144	Y	81.9	Confident	81.9	Confident	80 Å²	80	71.2 Å²	71.2	31%	0.314	41%	0.411	S	S	.	.	H	α-helix	trans	-100.1	0.9	179.7	-74.8	-96.4	0	0	0	113.4	K107 C110 W140 M141 W146	K107-Y144 VanDerWaalsContact CA-OH 3.28Å; K107-Y144 WeakPolarHBondContact CA-OH 3.46Å; K107-Y144 WeakPolarHBondContact CB-OH 3.48Å; K107-Y144 WeakPolarHBondContact CG-OH 3.39Å; K107-Y144 PolarHBondContact O-OH 3.03Å; C110-Y144 HydrophobicContact CB-CD1 4.07Å; C110-Y144 HydrophobicContact CB-CD2 4.04Å; C110-Y144 HydrophobicContact CB-CE1 3.66Å; C110-Y144 HydrophobicContact CB-CE2 3.66Å; C110-Y144 HydrophobicContact CB-CG 4.24Å; C110-Y144 VanDerWaalsContact CB-CZ 3.44Å; W140-Y144 HydrophobicContact CE3-CD2 4.32Å; W140-Y144 AromaticContact CE3-CE2 3.72Å; W140-Y144 HydrophobicContact CE3-CE2 3.72Å; W140-Y144 AromaticContact CZ3-CE2 3.9Å; W140-Y144 HydrophobicContact CZ3-CE2 3.9Å; W140-Y144 WeakPolarHBondContact O-CD2 3.22Å; W140-Y144 PolarHBondContact O-N 3.06Å; W140-Y144 VanDerWaalsContact O-N 3.17Å; M141-Y144 CarbonylContact O-C 3.59Å; M141-Y144 PolarHBondContact O-N 3.43Å; Y144-W146 VanDerWaalsContact C-N 3.34Å; Y144-W146 HydrophobicContact CD1-CZ2 4.48Å; Y144-W146 HydrophobicContact CG-CZ2 4.43Å
145	G	82.1	Confident	81.9	Confident	64 Å²	64	70.6 Å²	70.6	66%	0.66	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	21.9	178.4	0	0	0	0	0	114.2	M141	M141-G145 PolarHBondContact O-N 2.78Å
146	W	87.3	Confident	81.7	Confident	21 Å²	21	67.6 Å²	67.6	8%	0.08	38%	0.383	C	S	.	.			trans	-83.8	137	-179.3	-58.7	-19.8	0	0	0	111.6	C110 V113 L125 M141 Y144 I154 I156	C110-W146 HydrophobicContact CB-CH2 3.87Å; C110-W146 HydrophobicContact CB-CZ2 4.45Å; C110-W146 WeakPolarHBondContact O-CZ2 3.47Å; V113-W146 HydrophobicContact CB-CH2 4.17Å; V113-W146 HydrophobicContact CG1-CH2 3.84Å; V113-W146 HydrophobicContact CG1-CZ2 4.35Å; V113-W146 HydrophobicContact CG1-CZ3 4.46Å; L125-W146 HydrophobicContact CD1-CH2 4.47Å; L125-W146 HydrophobicContact CD1-CZ3 3.89Å; L125-W146 HydrophobicContact CD2-CE3 3.92Å; L125-W146 HydrophobicContact CD2-CZ3 3.72Å; L125-W146 HydrophobicContact CG-CZ3 4.46Å; M141-W146 HydrophobicContact CB-CB 4.23Å; M141-W146 HydrophobicContact CG-CB 4.43Å; M141-W146 HydrophobicContact CG-CE3 4.4Å; M141-W146 PolarHBondContact O-N 3.28Å; Y144-W146 VanDerWaalsContact C-N 3.34Å; Y144-W146 HydrophobicContact CD1-CZ2 4.48Å; Y144-W146 HydrophobicContact CG-CZ2 4.43Å; W146-I154 HydrophobicContact CB-CG2 3.68Å; W146-I154 HydrophobicContact CE3-CG2 4.44Å; W146-I154 HydrophobicContact CG-CG2 4.33Å; W146-I156 HydrophobicContact CD2-CD1 4.1Å; W146-I156 HydrophobicContact CD2-CG1 4.14Å; W146-I156 HydrophobicContact CE3-CD1 4.3Å; W146-I156 HydrophobicContact CG-CG1 4.24Å; W146-I156 HydrophobicContact CH2-CD1 4.08Å; W146-I156 HydrophobicContact CZ2-CD1 3.91Å; W146-I156 HydrophobicContact CZ2-CG2 4.27Å; W146-I156 HydrophobicContact CZ3-CD1 4.3Å
147	S	80.7	Confident	80.8	Confident	60 Å²	60	64.1 Å²	64.1	42%	0.42	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.4	179.6	52.4	0	0	0	0	110.9	I154 F155	S147-I154 CarbonylContact O-C 3.56Å; S147-I154 WeakPolarHBondContact O-CA 3.48Å; S147-F155 PolarHBondContact N-O 3.02Å; S147-F155 PolarHBondContact O-N 3.1Å
148	A	80.2	Confident	79.5	Confident	57 Å²	57	66.8 Å²	66.8	47%	0.471	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.1	170	0	0	0	0	0	109.8	M141 Q153	M141-A148 HydrophobicContact CE-CB 4.12Å; A148-Q153 CarbonylContact C-O 3.58Å; A148-Q153 WeakPolarHBondContact CA-O 3.33Å
149	D	77.4	Confident	77.8	Confident	63 Å²	63	67.5 Å²	67.5	34%	0.337	39%	0.392	S	S	.	.			trans	-76.3	161.5	169.4	-74.3	-23.8	0	0	0	111	H119 S151 G152 Q153	H119-D149 IonicContact CE1-OD2 3.97Å; H119-D149 PolarHBondContact CE1-OD2 3.26Å; H119-D149 IonicContact ND1-OD2 3.11Å; H119-D149 PolarHBondContact ND1-OD2 3.21Å; D149-S151 PolarHBondContact O-N 3.49Å; D149-G152 PolarHBondContact O-N 3.2Å; D149-Q153 PolarHBondContact N-O 3.29Å
150	E	67.3	Low	75.8	Confident	210 Å²	210	70.9 Å²	70.9	98%	0.981	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.9	177.1	-61.4	-175.4	175.7	0	0	112.9	G152	E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 3.29Å
151	S	67.8	Low	74	Confident	100 Å²	100	75.7 Å²	75.7	70%	0.699	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-6.3	177.7	-37.6	0	0	0	0	114.3	D149	D149-S151 PolarHBondContact O-N 3.49Å
152	G	71.3	Confident	72.2	Confident	40 Å²	40	77.7 Å²	77.7	41%	0.412	44%	0.44	S	S	.	.	S	Bend	trans	82.2	10	-174.4	0	0	0	0	0	114.9	D149 E150	D149-G152 PolarHBondContact O-N 3.2Å; E150-G152 VanDerWaalsContact C-N 3.29Å; E150-G152 PolarHBondContact O-N 3.29Å
153	Q	81.4	Confident	70.2	Confident	72 Å²	72	79.2 Å²	79.2	34%	0.336	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.1	174.3	-56.8	-165.7	-62.9	0	0	110.3	D121 A148 D149	D121-Q153 WeakPolarHBondContact OD1-CG 3.31Å; D121-Q153 PolarHBondContact OD1-NE2 3.02Å; A148-Q153 CarbonylContact C-O 3.58Å; A148-Q153 WeakPolarHBondContact CA-O 3.33Å; D149-Q153 PolarHBondContact N-O 3.29Å
154	I	84	Confident	68.5	Low	1 Å²	1	81.5 Å²	81.5	1%	0.005	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119	178.4	-60.5	172.6	0	0	0	108	H119 I120 R122 L125 M141 W146 S147 I156	H119-I154 VanDerWaalsContact CA-O 3.31Å; H119-I154 WeakPolarHBondContact CA-O 2.9Å; I120-I154 HydrophobicContact CG2-CB 3.92Å; I120-I154 HydrophobicContact CG2-CG2 4.44Å; I120-I154 PolarHBondContact N-O 3.08Å; I120-I154 PolarHBondContact O-N 3.23Å; R122-I154 HydrophobicContact CB-CD1 4.2Å; R122-I154 HydrophobicContact CB-CG1 4.41Å; R122-I154 HydrophobicContact CG-CD1 4.27Å; L125-I154 HydrophobicContact CB-CD1 4.24Å; L125-I154 HydrophobicContact CD2-CD1 3.39Å; L125-I154 HydrophobicContact CG-CD1 4.44Å; M141-I154 HydrophobicContact CE-CB 4.46Å; M141-I154 HydrophobicContact CE-CD1 3.86Å; M141-I154 HydrophobicContact CE-CG1 3.77Å; M141-I154 HydrophobicContact CE-CG2 3.95Å; M141-I154 HydrophobicContact CG-CD1 4.31Å; M141-I154 HydrophobicContact SD-CD1 3.72Å; M141-I154 HydrophobicContact SD-CG1 4.31Å; W146-I154 HydrophobicContact CB-CG2 3.68Å; W146-I154 HydrophobicContact CE3-CG2 4.44Å; W146-I154 HydrophobicContact CG-CG2 4.33Å; S147-I154 CarbonylContact O-C 3.56Å; S147-I154 WeakPolarHBondContact O-CA 3.48Å; I154-I156 HydrophobicContact CG2-CG1 4.24Å
155	F	83.2	Confident	66.7	Low	64 Å²	64	83.7 Å²	83.7	28%	0.281	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.1	171.4	179.8	-105.1	0	0	0	110.1	H119 S147	H119-F155 AromaticContact CE1-CD2 3.44Å; H119-F155 VanDerWaalsContact CE1-CD2 3.44Å; H119-F155 WeakPolarHBondContact CE1-CD2 3.41Å; H119-F155 AromaticContact ND1-CD2 3.93Å; H119-F155 AromaticContact NE2-CD2 3.69Å; S147-F155 PolarHBondContact N-O 3.02Å; S147-F155 PolarHBondContact O-N 3.1Å
156	I	80.6	Confident	65.3	Low	18 Å²	18	85.3 Å²	85.3	9%	0.092	46%	0.462	C	S	.	.			trans	-111.9	-55.1	-173.3	-65.3	-155.3	0	0	0	111.3	V113 Y117 Q118 I120 W146 I154	V113-I156 HydrophobicContact CG1-CD1 3.23Å; Y117-I156 WeakPolarHBondContact O-CB 3.46Å; Y117-I156 WeakPolarHBondContact O-CG2 3.32Å; Q118-I156 PolarHBondContact O-N 3.13Å; I120-I156 HydrophobicContact CB-CD1 4.44Å; I120-I156 HydrophobicContact CG2-CD1 3.64Å; I120-I156 HydrophobicContact CG2-CG1 4.2Å; W146-I156 HydrophobicContact CD2-CD1 4.1Å; W146-I156 HydrophobicContact CD2-CG1 4.14Å; W146-I156 HydrophobicContact CE3-CD1 4.3Å; W146-I156 HydrophobicContact CG-CG1 4.24Å; W146-I156 HydrophobicContact CH2-CD1 4.08Å; W146-I156 HydrophobicContact CZ2-CD1 3.91Å; W146-I156 HydrophobicContact CZ2-CG2 4.27Å; W146-I156 HydrophobicContact CZ3-CD1 4.3Å; I154-I156 HydrophobicContact CG2-CG1 4.24Å
157	C	68.1	Low	63.7	Low	22 Å²	22	89.7 Å²	89.7	15%	0.149	49%	0.487	C	S	.	.			trans	-156.5	142.5	-175.6	-166.1	0	0	0	0	111.1
158	S	58.3	Low	62.6	Low	58 Å²	58	89.5 Å²	89.5	41%	0.406	48%	0.481	S	S	.	.			trans	-82.5	152.5	177.4	72.4	0	0	0	0	111.7	E160 E161	S158-E160 PolarHBondContact O-N 3.23Å; S158-E161 PolarHBondContact O-N 3.35Å; S158-E161 VanDerWaalsContact O-N 3.16Å
159	Q	48.6	Very low	61.2	Low	133 Å²	133	90.3 Å²	90.3	62%	0.621	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-14.7	-173.1	-158.6	165.3	18.6	0	0	114.9	S162 I163	Q159-S162 WeakPolarHBondContact CA-OG 3.39Å; Q159-S162 PolarHBondContact O-OG 3.35Å; Q159-I163 WeakPolarHBondContact O-CG1 3.49Å
160	E	47.7	Very low	60	Low	171 Å²	171	92.4 Å²	92.4	80%	0.799	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-25.8	179	-61.8	-172.6	173.6	0	0	112.9	S158	S158-E160 PolarHBondContact O-N 3.23Å
161	E	47.8	Very low	59.3	Low	123 Å²	123	90.1 Å²	90.1	58%	0.575	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-15.2	-178.8	-160.7	165.5	-163.7	0	0	112.9	S158	S158-E161 PolarHBondContact O-N 3.35Å; S158-E161 VanDerWaalsContact O-N 3.16Å
162	S	47.9	Very low	58.8	Low	55 Å²	55	88.3 Å²	88.3	39%	0.385	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-5.5	178.2	59.7	0	0	0	0	115.1	Q159 K164	Q159-S162 WeakPolarHBondContact CA-OG 3.39Å; Q159-S162 PolarHBondContact O-OG 3.35Å; S162-K164 PolarHBondContact O-N 2.98Å
163	I	44.5	Very low	57.9	Low	134 Å²	134	91.7 Å²	91.7	69%	0.687	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-14	-176.4	-60.4	163.2	0	0	0	111.9	Q159	Q159-I163 WeakPolarHBondContact O-CG1 3.49Å
164	K	51.4	Low	56.8	Low	166 Å²	166	96 Å²	96	72%	0.722	48%	0.483	S	S	*	.	S	Bend	trans	-89	122.6	171.9	-63.8	-177.1	-175.3	175.8	0	108.9	S162 K166	S162-K164 PolarHBondContact O-N 2.98Å; K164-K166 PolarHBondContact O-N 3.33Å
165	P	43.7	Very low	55.7	Low	126 Å²	126	102.1 Å²	102.1	82%	0.818	52%	0.515	S	S	*	.			trans	-59.9	110.6	174.2	24	-31.3	0	0	0	108.8
166	K	53.3	Low	54.6	Low	97 Å²	97	102.2 Å²	102.2	42%	0.422	52%	0.524	S	S	.	.			trans	-94.9	113.3	172.9	-68.9	178.2	-175.6	172.5	0	106.7	I115 K164 I168	I115-K166 HydrophobicContact CG1-CB 4.47Å; I115-K166 HydrophobicContact CG1-CD 4.24Å; I115-K166 HydrophobicContact CG2-CB 3.82Å; K164-K166 PolarHBondContact O-N 3.33Å; K166-I168 PolarHBondContact O-N 3.23Å
167	N	53.4	Low	53.6	Low	113 Å²	113	103.3 Å²	103.3	60%	0.604	53%	0.531	S	S	*	.			trans	-67.1	121.9	173.9	-73	-39.1	0	0	0	108.4	V169	N167-V169 PolarHBondContact O-N 3.26Å
168	I	57.1	Low	53.4	Low	57 Å²	57	104.3 Å²	104.3	29%	0.292	54%	0.538	S	S	.	.	S	Bend	trans	-70.2	-25.8	179.4	-63.4	166.6	0	0	0	110.8	V112 I115 T116 K166	V112-I168 HydrophobicContact CG1-CG2 4.36Å; V112-I168 HydrophobicContact CG2-CG2 4.08Å; I115-I168 HydrophobicContact CG2-CG1 4.06Å; T116-I168 HydrophobicContact CG2-CD1 3.6Å; T116-I168 HydrophobicContact CG2-CG1 4.46Å; K166-I168 PolarHBondContact O-N 3.23Å
169	V	50.1	Low	53.5	Low	73 Å²	73	105.2 Å²	105.2	44%	0.442	55%	0.545	S	S	.	.	S	Bend	trans	-131.3	138.1	178	-173.6	0	0	0	0	108.5	N167 K171	N167-V169 PolarHBondContact O-N 3.26Å; V169-K171 PolarHBondContact O-N 3.14Å
170	E	52	Low	54	Low	108 Å²	108	101.8 Å²	101.8	51%	0.505	53%	0.53	S	S	.	.			trans	-60.1	118.6	172.3	-128	177.2	159.2	0	0	108.6	H46 T47 I172	H46-E170 IonicContact CE1-OE2 2.61Å; H46-E170 IonicContact ND1-OE2 2.84Å; H46-E170 PolarHBondContact ND1-OE2 3.18Å; H46-E170 VanDerWaalsContact ND1-OE2 3.11Å; T47-E170 HydrophobicContact CG2-CB 3.72Å; T47-E170 WeakPolarHBondContact CG2-O 3.48Å; E170-I172 PolarHBondContact O-N 2.9Å
171	K	53.8	Low	54.7	Low	161 Å²	161	99.5 Å²	99.5	70%	0.7	52%	0.521	S	S	*	.			trans	-72.6	123	171.7	-75.3	-170.4	177.1	-176.7	0	107.9	V169 D173	V169-K171 PolarHBondContact O-N 3.14Å; K171-D173 PolarHBondContact O-N 3.12Å
172	I	55.8	Low	55.4	Low	62 Å²	62	97.1 Å²	97.1	32%	0.318	52%	0.522	S	S	.	.			trans	-78.8	108.9	172.7	-44	172.2	0	0	0	107.6	T47 T50 E170 V177	T47-I172 HydrophobicContact CG2-CD1 3.81Å; T47-I172 HydrophobicContact CG2-CG1 3.27Å; T50-I172 HydrophobicContact CG2-CD1 4.31Å; E170-I172 PolarHBondContact O-N 2.9Å; I172-V177 HydrophobicContact CB-CG2 4.45Å; I172-V177 HydrophobicContact CG2-CG2 3.31Å
173	D	54	Low	55.6	Low	112 Å²	112	98.7 Å²	98.7	60%	0.599	53%	0.533	S	S	*	.			trans	-77.2	147.6	170.9	-75.8	-43.9	0	0	0	110.6	K171 D175 S176	K171-D173 PolarHBondContact O-N 3.12Å; D173-D175 PolarHBondContact O-N 3.2Å; D173-D175 VanDerWaalsContact O-N 3.11Å; D173-S176 VanDerWaalsContact O-CB 3.32Å; D173-S176 WeakPolarHBondContact O-CB 3.25Å; D173-S176 PolarHBondContact O-N 3.45Å
174	F	57.1	Low	55.6	Low	163 Å²	163	94.6 Å²	94.6	72%	0.715	52%	0.516	S	S	*	.	H	α-helix	trans	-53.4	-34.9	-176.6	-178.2	-99.6	0	0	0	113.2	S176 V177 S178	F174-S176 VanDerWaalsContact C-N 3.26Å; F174-S176 PolarHBondContact O-N 2.87Å; F174-V177 PolarHBondContact O-N 3.49Å; F174-S178 WeakPolarHBondContact O-CB 3.36Å; F174-S178 PolarHBondContact O-N 3.34Å; F174-S178 PolarHBondContact O-OG 2.88Å
175	D	61.8	Low	55.1	Low	128 Å²	128	98.3 Å²	98.3	68%	0.684	54%	0.536	S	S	*	.	H	α-helix	trans	-65.7	-26.5	177.3	-71.9	-31.1	0	0	0	113.7	D173 S178	D173-D175 PolarHBondContact O-N 3.2Å; D173-D175 VanDerWaalsContact O-N 3.11Å; D175-S178 WeakPolarHBondContact CA-OG 3.43Å; D175-S178 PolarHBondContact O-OG 3.41Å; D175-S178 VanDerWaalsContact O-OG 3.13Å
176	S	59.7	Low	55.6	Low	67 Å²	67	97 Å²	97	47%	0.469	52%	0.522	S	S	.	.	H	α-helix	trans	-73.2	-37.5	175.5	-55.1	0	0	0	0	110.9	D173 F174 S179	D173-S176 VanDerWaalsContact O-CB 3.32Å; D173-S176 WeakPolarHBondContact O-CB 3.25Å; D173-S176 PolarHBondContact O-N 3.45Å; F174-S176 VanDerWaalsContact C-N 3.26Å; F174-S176 PolarHBondContact O-N 2.87Å; S176-S179 PolarHBondContact O-OG 3.11Å; S176-S179 VanDerWaalsContact O-OG 3.12Å
177	V	59.5	Low	55.8	Low	41 Å²	41	96.9 Å²	96.9	25%	0.248	53%	0.528	C	S	.	.	H	α-helix	trans	-79.3	-37.4	-179.4	-167.1	0	0	0	0	111.7	I172 F174 S179 I180 M181	I172-V177 HydrophobicContact CB-CG2 4.45Å; I172-V177 HydrophobicContact CG2-CG2 3.31Å; F174-V177 PolarHBondContact O-N 3.49Å; V177-S179 VanDerWaalsContact C-N 3.27Å; V177-S179 PolarHBondContact O-N 3.23Å; V177-I180 PolarHBondContact O-N 3.42Å; V177-I180 VanDerWaalsContact O-N 3.08Å; V177-M181 HydrophobicContact CG1-CG 4.01Å; V177-M181 HydrophobicContact CG1-SD 3.76Å; V177-M181 WeakPolarHBondContact O-CG 3.45Å; V177-M181 PolarHBondContact O-N 2.94Å
178	S	63.3	Low	55.9	Low	42 Å²	42	96.1 Å²	96.1	29%	0.294	52%	0.523	S	S	.	.	H	α-helix	trans	-61.3	-35.7	-176.8	68.3	0	0	0	0	112.5	F174 D175 I180 M181 A182	F174-S178 WeakPolarHBondContact O-CB 3.36Å; F174-S178 PolarHBondContact O-N 3.34Å; F174-S178 PolarHBondContact O-OG 2.88Å; D175-S178 WeakPolarHBondContact CA-OG 3.43Å; D175-S178 PolarHBondContact O-OG 3.41Å; D175-S178 VanDerWaalsContact O-OG 3.13Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 2.74Å; S178-M181 PolarHBondContact O-N 3.47Å; S178-A182 VanDerWaalsContact O-CB 3.25Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.44Å
179	S	61	Low	55.8	Low	77 Å²	77	98.4 Å²	98.4	54%	0.538	54%	0.537	S	S	.	.	H	α-helix	trans	-65.3	-33.3	176.5	73.9	0	0	0	0	113.4	S176 V177	S176-S179 PolarHBondContact O-OG 3.11Å; S176-S179 VanDerWaalsContact O-OG 3.12Å; V177-S179 VanDerWaalsContact C-N 3.27Å; V177-S179 PolarHBondContact O-N 3.23Å
180	I	59	Low	56.2	Low	61 Å²	61	99.9 Å²	99.9	31%	0.313	54%	0.543	S	S	.	.	H	α-helix	trans	-80.6	-41.2	179.3	-58.9	174.5	0	0	0	109.6	V177 S178 A182 S183 S184	V177-I180 PolarHBondContact O-N 3.42Å; V177-I180 VanDerWaalsContact O-N 3.08Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 2.74Å; I180-A182 VanDerWaalsContact C-N 3.34Å; I180-A182 PolarHBondContact O-N 3.08Å; I180-S183 PolarHBondContact O-N 3.46Å; I180-S183 PolarHBondContact O-OG 3.29Å; I180-S184 PolarHBondContact O-OG 3.13Å
181	M	63	Low	56.5	Low	124 Å²	124	99.4 Å²	99.4	61%	0.611	55%	0.545	S	S	*	.	H	α-helix	trans	-67.9	-31.5	177.3	-66.3	-178.2	78.7	0	0	113.2	V177 S178 S183 S184	V177-M181 HydrophobicContact CG1-CG 4.01Å; V177-M181 HydrophobicContact CG1-SD 3.76Å; V177-M181 WeakPolarHBondContact O-CG 3.45Å; V177-M181 PolarHBondContact O-N 2.94Å; S178-M181 PolarHBondContact O-N 3.47Å; M181-S183 VanDerWaalsContact C-N 3.27Å; M181-S183 PolarHBondContact O-N 2.96Å; M181-S184 PolarHBondContact O-N 3.33Å
182	A	61.2	Low	56.7	Low	73 Å²	73	95 Å²	95	60%	0.603	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-69.2	-24.2	177.6	0	0	0	0	0	113.1	S178 I180 S184	S178-A182 VanDerWaalsContact O-CB 3.25Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.44Å; I180-A182 VanDerWaalsContact C-N 3.34Å; I180-A182 PolarHBondContact O-N 3.08Å; A182-S184 VanDerWaalsContact C-N 3.31Å
183	S	52.1	Low	56.7	Low	88 Å²	88	97.5 Å²	97.5	62%	0.615	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-82	-5.7	174.2	47.2	0	0	0	0	114.4	I180 M181	I180-S183 PolarHBondContact O-N 3.46Å; I180-S183 PolarHBondContact O-OG 3.29Å; M181-S183 VanDerWaalsContact C-N 3.27Å; M181-S183 PolarHBondContact O-N 2.96Å
184	S	44.8	Very low	57	Low	47 Å²	47	96.3 Å²	96.3	33%	0.329	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-100.9	12.3	-179.1	-52.5	0	0	0	0	113.7	I180 M181 A182	I180-S184 PolarHBondContact O-OG 3.13Å; M181-S184 PolarHBondContact O-N 3.33Å; A182-S184 VanDerWaalsContact C-N 3.31Å
185	Q	41	Very low	56.9	Low	245 Å²	245	90.3 Å²	90.3	100%	1.145	53%	0.532	S	S	*	.			trans	-102.4	0	170	-80.8	-172.5	42.7	0	0	112.3

Retrieved 185 of 185 residues in 308.3 ms (Link to these results)

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