A0A077Z4E7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z4E7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 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	43.5	Very low	73.2	Confident	234 Å²	234	60.7 Å²	60.7	100%	1.153	34%	0.336	S	S	*	.				0	134.6	0	-68.2	-175.4	173	0	0	107	T3	M1-T3 PolarHBondContact O-N 2.64Å
2	S	43	Very low	73.5	Confident	99 Å²	99	55.8 Å²	55.8	69%	0.692	31%	0.308	S	S	*	.			trans	-56.7	116.5	-177	55.2	0	0	0	0	108.9	E4	S2-E4 PolarHBondContact O-N 3.02Å
3	T	54.3	Low	73.1	Confident	95 Å²	95	60.7 Å²	60.7	58%	0.583	32%	0.321	S	S	*	.	S	Bend	trans	-67.2	-7	-175.7	46.4	0	0	0	0	112.8	M1	M1-T3 PolarHBondContact O-N 2.64Å
4	E	67	Low	72.6	Confident	97 Å²	97	58.1 Å²	58.1	45%	0.453	30%	0.304	S	S	.	.			trans	-119.5	57.1	-175.2	-60.4	-166.5	169.6	0	0	110.4	S2 K53	S2-E4 PolarHBondContact O-N 3.02Å; E4-K53 IonicContact OE1-NZ 2.91Å; E4-K53 PolarHBondContact OE1-NZ 3.38Å
5	S	80.5	Confident	71.4	Confident	33 Å²	33	61.5 Å²	61.5	23%	0.231	32%	0.322	C	S	.	.			trans	-76.2	142.8	164.1	91	0	0	0	0	109.2	W52 R78	S5-W52 PolarHBondContact O-N 2.98Å; S5-W52 VanDerWaalsContact O-N 3.12Å; S5-R78 VanDerWaalsContact OG-CZ 3.25Å; S5-R78 PolarHBondContact OG-NH1 3.29Å; S5-R78 PolarHBondContact OG-NH2 3.28Å
6	D	86.2	Confident	70.1	Confident	88 Å²	88	60.8 Å²	60.8	47%	0.471	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	152.1	162.4	-72.3	-19.7	0	0	0	109.6	V49 T50	D6-V49 HydrophobicContact CB-CG1 3.57Å; D6-T50 CarbonylContact C-O 3.58Å; D6-T50 WeakPolarHBondContact CA-O 3.19Å
7	V	88	Confident	68.5	Low	2 Å²	2	62.4 Å²	62.4	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.6	178.2	-175.3	0	0	0	0	107.7	L9 V49 T50 W52 L55 F330 F333	V7-L9 HydrophobicContact CG1-CD2 4.16Å; V7-L9 HydrophobicContact CG1-CG 4.28Å; V7-V49 WeakPolarHBondContact O-CA 3.19Å; V7-T50 HydrophobicContact CB-CG2 4.45Å; V7-T50 PolarHBondContact N-O 2.75Å; V7-T50 PolarHBondContact O-N 3.12Å; V7-W52 HydrophobicContact CG2-CE3 4.19Å; V7-L55 HydrophobicContact CB-CD2 4.21Å; V7-L55 HydrophobicContact CG1-CD2 3.84Å; V7-L55 HydrophobicContact CG2-CD2 4.23Å; V7-F330 HydrophobicContact CG1-CD2 3.99Å; V7-F330 HydrophobicContact CG1-CE2 3.7Å; V7-F333 HydrophobicContact CG1-CE1 4.47Å; V7-F333 HydrophobicContact CG2-CD1 4.38Å; V7-F333 HydrophobicContact CG2-CE1 4.15Å
8	L	87.8	Confident	67.3	Low	3 Å²	3	60.8 Å²	60.8	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.8	176.5	-173.4	66	0	0	0	110.4	L47 V49 E335 V338 R339	L8-L47 HydrophobicContact CD1-CB 4.13Å; L8-L47 HydrophobicContact CD1-CD2 4.4Å; L8-L47 HydrophobicContact CD2-CD1 4.41Å; L8-L47 HydrophobicContact CD2-CD2 4.47Å; L8-L47 HydrophobicContact CG-CD2 4.2Å; L8-V49 HydrophobicContact CD1-CG2 3.71Å; L8-E335 HydrophobicContact CB-CG 3.89Å; L8-E335 HydrophobicContact CD2-CB 4.32Å; L8-V338 HydrophobicContact CD2-CB 3.88Å; L8-V338 HydrophobicContact CD2-CG1 3.7Å; L8-V338 HydrophobicContact CG-CG1 4.15Å; L8-R339 HydrophobicContact CD2-CG 3.58Å
9	L	87.8	Confident	65.9	Low	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.3	-175.3	-65	171.9	0	0	0	110.1	V7 F26 L47 F48 T50 L55 Y58 V328 F330	V7-L9 HydrophobicContact CG1-CD2 4.16Å; V7-L9 HydrophobicContact CG1-CG 4.28Å; L9-F26 HydrophobicContact CD2-CE2 4.41Å; L9-F26 HydrophobicContact CD2-CZ 3.96Å; L9-L47 CarbonylContact O-C 3.53Å; L9-L47 VanDerWaalsContact O-CA 3.29Å; L9-L47 WeakPolarHBondContact O-CA 3.41Å; L9-F48 HydrophobicContact CB-CD1 3.94Å; L9-F48 HydrophobicContact CB-CE1 3.36Å; L9-F48 HydrophobicContact CB-CE2 4.14Å; L9-F48 HydrophobicContact CB-CZ 3.5Å; L9-F48 HydrophobicContact CD1-CE1 4.25Å; L9-F48 HydrophobicContact CD1-CE2 3.81Å; L9-F48 HydrophobicContact CD1-CZ 3.48Å; L9-F48 VanDerWaalsContact CD1-CZ 3.48Å; L9-F48 HydrophobicContact CG-CE1 4.44Å; L9-F48 HydrophobicContact CG-CZ 4.12Å; L9-F48 PolarHBondContact N-O 3.23Å; L9-F48 PolarHBondContact O-N 3.05Å; L9-T50 HydrophobicContact CD1-CG2 3.4Å; L9-T50 VanDerWaalsContact CD1-CG2 3.4Å; L9-T50 HydrophobicContact CG-CG2 4.37Å; L9-L55 HydrophobicContact CD1-CD1 3.55Å; L9-L55 HydrophobicContact CD1-CD2 4.49Å; L9-L55 HydrophobicContact CD2-CD1 4.42Å; L9-Y58 HydrophobicContact CD1-CE2 4.28Å; L9-V328 HydrophobicContact CB-CG1 3.96Å; L9-V328 HydrophobicContact CD1-CG1 3.86Å; L9-V328 HydrophobicContact CD2-CG1 4.08Å; L9-V328 HydrophobicContact CG-CG1 4.19Å; L9-F330 HydrophobicContact CD2-CB 3.92Å; L9-F330 HydrophobicContact CD2-CD2 3.69Å; L9-F330 HydrophobicContact CD2-CG 4.3Å
10	W	83.8	Confident	64.6	Low	13 Å²	13	64.3 Å²	64.3	5%	0.049	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.2	171.3	172.1	-90.5	0	0	0	110.4	Q12 F34 G45 E46 L47 V328 Q329 F342	W10-Q12 VanDerWaalsContact NE1-OE1 3.08Å; W10-F34 HydrophobicContact CB-CD2 3.3Å; W10-F34 HydrophobicContact CB-CE2 3.52Å; W10-F34 HydrophobicContact CB-CG 4.24Å; W10-F34 HydrophobicContact CD2-CD2 4.32Å; W10-F34 HydrophobicContact CG-CB 4.35Å; W10-F34 AromaticContact CG-CD2 3.73Å; W10-F34 HydrophobicContact CG-CD2 3.73Å; W10-F34 HydrophobicContact CG-CE2 4.42Å; W10-F34 HydrophobicContact CG-CG 4.34Å; W10-G45 WeakPolarHBondContact CH2-O 3.44Å; W10-G45 VanDerWaalsContact CZ2-N 3.32Å; W10-G45 WeakPolarHBondContact CZ2-O 3.33Å; W10-G45 VanDerWaalsContact CZ3-C 3.48Å; W10-G45 WeakPolarHBondContact CZ3-O 3.47Å; W10-E46 CarbonylContact C-O 3.59Å; W10-E46 WeakPolarHBondContact CA-O 3.44Å; W10-L47 HydrophobicContact CB-CD2 4.19Å; W10-L47 HydrophobicContact CE3-CD2 3.99Å; W10-L47 HydrophobicContact CE3-CG 3.95Å; W10-L47 HydrophobicContact CZ3-CG 4.43Å; W10-V328 CarbonylContact O-C 3.58Å; W10-V328 WeakPolarHBondContact O-CA 3.38Å; W10-Q329 HydrophobicContact CB-CB 4.22Å; W10-Q329 PolarHBondContact N-O 2.91Å; W10-Q329 PolarHBondContact O-N 3.36Å; W10-F342 HydrophobicContact CD2-CE1 4.01Å; W10-F342 AromaticContact CD2-CZ 3.7Å; W10-F342 HydrophobicContact CD2-CZ 3.7Å; W10-F342 HydrophobicContact CE3-CD1 4.1Å; W10-F342 AromaticContact CE3-CE1 3.32Å; W10-F342 HydrophobicContact CE3-CE1 3.32Å; W10-F342 HydrophobicContact CE3-CE2 4.06Å; W10-F342 AromaticContact CE3-CZ 3.26Å; W10-F342 HydrophobicContact CE3-CZ 3.26Å; W10-F342 HydrophobicContact CG-CZ 4.36Å; W10-F342 HydrophobicContact CH2-CD1 4.14Å; W10-F342 AromaticContact CH2-CE1 3.38Å; W10-F342 HydrophobicContact CH2-CE1 3.38Å; W10-F342 HydrophobicContact CH2-CZ 4.08Å; W10-F342 HydrophobicContact CZ2-CE1 4.06Å; W10-F342 HydrophobicContact CZ2-CZ 4.45Å; W10-F342 AromaticContact CZ3-CD1 3.57Å; W10-F342 HydrophobicContact CZ3-CD1 3.57Å; W10-F342 AromaticContact CZ3-CE1 2.98Å; W10-F342 HydrophobicContact CZ3-CE1 2.98Å; W10-F342 HydrophobicContact CZ3-CE2 4.48Å; W10-F342 AromaticContact CZ3-CZ 3.52Å; W10-F342 HydrophobicContact CZ3-CZ 3.52Å
11	A	83.3	Confident	63.7	Low	4 Å²	4	61.6 Å²	61.6	3%	0.033	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.7	177.2	0	0	0	0	0	111.3	G45 E46 F48 V327 V328 L355	A11-G45 CarbonylContact O-C 3.08Å; A11-G45 WeakPolarHBondContact O-CA 3.48Å; A11-E46 PolarHBondContact N-O 3.03Å; A11-E46 PolarHBondContact O-N 3.08Å; A11-F48 HydrophobicContact CB-CD1 3.77Å; A11-F48 HydrophobicContact CB-CE1 3.58Å; A11-V327 WeakPolarHBondContact CA-O 3.49Å; A11-V328 HydrophobicContact CB-CG2 4.16Å; A11-L355 HydrophobicContact CB-CD2 3.93Å
12	Q	76.5	Confident	64	Low	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150.8	172.3	69.6	-161.5	-5.5	0	0	111.2	W10 V327 Q329	W10-Q12 VanDerWaalsContact NE1-OE1 3.08Å; Q12-V327 HydrophobicContact CG-CB 4.07Å; Q12-V327 HydrophobicContact CG-CG2 4.48Å; Q12-V327 PolarHBondContact N-O 2.89Å; Q12-V327 PolarHBondContact O-N 2.9Å; Q12-Q329 VanDerWaalsContact NE2-NE2 3.12Å
13	Y	68.9	Low	64.8	Low	119 Å²	119	49.6 Å²	49.6	47%	0.467	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.9	166.2	-74	-68.3	0	0	0	110.4	S326 L355	Y13-S326 WeakPolarHBondContact CD1-OG 3.45Å; Y13-S326 VanDerWaalsContact CE1-OG 3.25Å; Y13-S326 WeakPolarHBondContact CE1-OG 3.42Å; Y13-L355 HydrophobicContact CD2-CD1 3.54Å; Y13-L355 HydrophobicContact CE1-CD1 4.48Å; Y13-L355 HydrophobicContact CE2-CB 4.39Å; Y13-L355 HydrophobicContact CE2-CD1 3.2Å; Y13-L355 HydrophobicContact CE2-CG 3.8Å; Y13-L355 HydrophobicContact CG-CD1 4.34Å
14	R	65.5	Low	65.6	Low	24 Å²	24	45.1 Å²	45.1	9%	0.091	22%	0.22	C	C	.	.			trans	-87	120.7	164.5	-88.4	173.7	176.5	155.9	7.9	109	E64 D325 V327	R14-E64 IonicContact CZ-OE1 3.3Å; R14-E64 IonicContact CZ-OE2 3.16Å; R14-E64 IonicContact NH1-OE1 2.7Å; R14-E64 PolarHBondContact NH1-OE1 2.68Å; R14-E64 IonicContact NH1-OE2 3.54Å; R14-E64 IonicContact NH2-OE1 3.51Å; R14-E64 PolarHBondContact NH2-OE1 2.78Å; R14-E64 IonicContact NH2-OE2 3.04Å; R14-E64 PolarHBondContact NH2-OE2 3.29Å; R14-D325 HydrophobicContact CB-CB 4.47Å; R14-D325 VanDerWaalsContact CD-OD2 3.31Å; R14-D325 WeakPolarHBondContact CD-OD2 3.21Å; R14-D325 IonicContact CZ-OD2 2.88Å; R14-D325 IonicContact NH1-OD2 3.88Å; R14-D325 PolarHBondContact NH1-OD2 3.35Å; R14-V327 HydrophobicContact CB-CG2 4.32Å; R14-V327 HydrophobicContact CG-CG2 3.38Å
15	L	55.1	Low	66.4	Low	109 Å²	109	40.5 Å²	40.5	57%	0.571	20%	0.199	S	C	*	.			trans	-106.6	-26.9	172.3	-73.9	173.4	0	0	0	111.9	N17	L15-N17 PolarHBondContact O-N 3Å
16	D	49.8	Very low	66.8	Low	50 Å²	50	39 Å²	39	27%	0.267	19%	0.188	S	C	.	.	S	Bend	trans	-70.3	97.2	-179.7	32.9	-39.8	0	0	0	110.5	L42	D16-L42 WeakPolarHBondContact OD1-CD2 3.2Å; D16-L42 WeakPolarHBondContact OD2-CD2 3.23Å
17	N	43.7	Very low	67	Low	88 Å²	88	34.8 Å²	34.8	47%	0.471	17%	0.165	S	C	.	.	S	Bend	trans	74.9	120.7	143	-61.5	-21	0	0	0	117.9	L15	L15-N17 PolarHBondContact O-N 3Å
18	V	46.5	Very low	67.3	Low	34 Å²	34	34.8 Å²	34.8	21%	0.206	17%	0.165	C	C	.	.			trans	72.7	86.1	176.4	-166.4	0	0	0	0	113.7	T298 H311 Y314	V18-T298 HydrophobicContact CG2-CG2 3.49Å; V18-T298 VanDerWaalsContact CG2-CG2 3.49Å; V18-H311 HydrophobicContact CG2-CB 3.96Å; V18-H311 WeakPolarHBondContact CG2-CD2 3.21Å; V18-H311 VanDerWaalsContact CG2-CG 3.49Å; V18-Y314 HydrophobicContact CG1-CD1 3.65Å; V18-Y314 HydrophobicContact CG1-CD2 4.38Å; V18-Y314 HydrophobicContact CG1-CG 3.46Å; V18-Y314 VanDerWaalsContact CG1-CG 3.46Å
19	R	40.7	Very low	67.4	Low	172 Å²	172	34.8 Å²	34.8	65%	0.649	17%	0.165	S	C	*	.	S	Bend	trans	-57.2	141.6	156	-66.9	-173.6	-167.6	-157	-2.3	107.4	Y314 H324	R19-Y314 WeakPolarHBondContact O-CD2 3.34Å; R19-Y314 WeakPolarHBondContact O-CE2 3.35Å; R19-Y314 VanDerWaalsContact O-CG 3.27Å; R19-H324 WeakPolarHBondContact CD-CE1 3.44Å; R19-H324 PolarHBondContact NE-CE1 2.91Å; R19-H324 PolarHBondContact NH1-CE1 3Å; R19-H324 VanDerWaalsContact NH1-CE1 3.34Å; R19-H324 PolarHBondContact NH1-NE2 3.06Å; R19-H324 VanDerWaalsContact NH1-NE2 3.19Å
20	P	39.7	Very low	67.5	Low	19 Å²	19	37.2 Å²	37.2	12%	0.123	18%	0.176	C	C	.	.			cis	-133.7	162.8	-13	21.1	5.2	0	0	0	112.6	P320 L322 M323	P20-P320 HydrophobicContact CG-CB 3.79Å; P20-P320 HydrophobicContact CG-CG 4.29Å; P20-L322 CarbonylContact C-O 3.53Å; P20-L322 WeakPolarHBondContact CA-O 3.33Å; P20-L322 WeakPolarHBondContact CB-O 3.47Å; P20-L322 VanDerWaalsContact CD-O 3.23Å; P20-L322 WeakPolarHBondContact CD-O 2.8Å; P20-L322 WeakPolarHBondContact CG-O 3.26Å; P20-L322 CarbonylContact O-C 3.56Å; P20-L322 VanDerWaalsContact O-C 3.27Å; P20-L322 WeakPolarHBondContact O-CB 3.46Å; P20-L322 VanDerWaalsContact O-O 3.05Å; P20-M323 CarbonylContact C-O 3.51Å; P20-M323 VanDerWaalsContact C-O 3.23Å; P20-M323 WeakPolarHBondContact CA-O 3.32Å; P20-M323 WeakPolarHBondContact CB-O 3.33Å
21	I	46.9	Very low	67.6	Low	8 Å²	8	36.8 Å²	36.8	4%	0.041	18%	0.175	C	C	.	.			trans	-130.3	122.2	162.9	-62.4	-158.2	0	0	0	111.4	Y95 R310 L322 M323 H324	I21-Y95 HydrophobicContact CD1-CD2 4.48Å; I21-R310 HydrophobicContact CD1-CB 3.81Å; I21-R310 HydrophobicContact CD1-CG 3.52Å; I21-R310 HydrophobicContact CG1-CB 4.35Å; I21-R310 HydrophobicContact CG1-CG 4.46Å; I21-L322 VanDerWaalsContact CA-C 3.43Å; I21-L322 VanDerWaalsContact CA-CB 3.47Å; I21-L322 HydrophobicContact CB-CB 4.25Å; I21-L322 HydrophobicContact CB-CD2 3.97Å; I21-L322 HydrophobicContact CD1-CD1 4.23Å; I21-L322 HydrophobicContact CD1-CD2 4.15Å; I21-L322 HydrophobicContact CG1-CB 4Å; I21-L322 HydrophobicContact CG1-CD1 4.01Å; I21-L322 HydrophobicContact CG1-CD2 3.84Å; I21-L322 HydrophobicContact CG1-CG 4.14Å; I21-L322 HydrophobicContact CG2-CD2 3.63Å; I21-L322 VanDerWaalsContact N-C 3.31Å; I21-M323 CarbonylContact C-O 3.6Å; I21-M323 WeakPolarHBondContact CA-O 3.23Å; I21-M323 PolarHBondContact N-O 3.06Å; I21-M323 CarbonylContact O-C 3.5Å; I21-M323 VanDerWaalsContact O-C 3.22Å; I21-H324 CarbonylContact O-C 3.59Å
22	S	49.8	Very low	67.7	Low	15 Å²	15	39.2 Å²	39.2	11%	0.105	19%	0.192	C	C	.	.			trans	-79	145.2	-165.9	54.1	0	0	0	0	108.4	N61 L321 L322	S22-N61 WeakPolarHBondContact O-CB 3.45Å; S22-N61 PolarHBondContact OG-ND2 2.84Å; S22-L321 PolarHBondContact OG-O 3.39Å; S22-L322 VanDerWaalsContact N-C 3.33Å
23	N	59	Low	68	Low	66 Å²	66	42.6 Å²	42.6	35%	0.353	21%	0.21	S	C	.	.	S	Bend	trans	57.7	-169.9	173.9	-57.9	-22.1	0	0	0	112.1	A25 N61 Q92	N23-A25 PolarHBondContact O-N 3.32Å; N23-N61 VanDerWaalsContact CB-OD1 3.26Å; N23-N61 WeakPolarHBondContact CB-OD1 3.46Å; N23-N61 PolarHBondContact ND2-OD1 3.46Å; N23-N61 VanDerWaalsContact ND2-OD1 3.15Å; N23-Q92 PolarHBondContact ND2-OE1 3.25Å
24	L	71.4	Confident	68.7	Low	2 Å²	2	37 Å²	37	1%	0.01	19%	0.188	C	C	.	.			trans	-71.4	120.1	-164.5	-166.4	71.3	0	0	0	112.4	F26 Y58 P60 N61 S326 V328 L359	L24-F26 HydrophobicContact CD2-CD2 3.92Å; L24-Y58 HydrophobicContact CD2-CD2 3.35Å; L24-Y58 HydrophobicContact CD2-CE2 4.21Å; L24-Y58 HydrophobicContact CD2-CG 3.67Å; L24-P60 HydrophobicContact CB-CB 4.41Å; L24-P60 WeakPolarHBondContact O-CA 3.47Å; L24-P60 WeakPolarHBondContact O-CB 3.5Å; L24-N61 PolarHBondContact O-N 3.25Å; L24-S326 WeakPolarHBondContact CD1-O 3.43Å; L24-V328 HydrophobicContact CD1-CB 3.84Å; L24-V328 HydrophobicContact CD1-CG2 3.43Å; L24-V328 VanDerWaalsContact CD1-CG2 3.43Å; L24-V328 HydrophobicContact CD2-CB 4.48Å; L24-V328 HydrophobicContact CG-CB 4.35Å; L24-V328 HydrophobicContact CG-CG2 4.41Å; L24-L359 HydrophobicContact CD1-CD2 4.18Å
25	A	83.7	Confident	69.2	Low	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	118.7	156.9	0	0	0	0	0	109.4	N23 S62 D325 S326 V327 V328	N23-A25 PolarHBondContact O-N 3.32Å; A25-S62 WeakPolarHBondContact CA-O 3.26Å; A25-D325 WeakPolarHBondContact CB-OD1 3.44Å; A25-D325 WeakPolarHBondContact CB-OD2 3.41Å; A25-D325 PolarHBondContact N-OD1 3.06Å; A25-S326 PolarHBondContact N-O 3.1Å; A25-V327 HydrophobicContact CB-CG1 4.33Å; A25-V327 HydrophobicContact CB-CG2 4.25Å; A25-V327 CarbonylContact O-C 3.39Å; A25-V327 WeakPolarHBondContact O-CA 3.33Å; A25-V328 PolarHBondContact O-N 3.09Å
26	F	89.8	Confident	70.1	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.7	177.2	-153.8	-86	0	0	0	110.2	L9 L24 F28 L55 Y58 P60 S62 I63 E64 F89 V328 F330	L9-F26 HydrophobicContact CD2-CE2 4.41Å; L9-F26 HydrophobicContact CD2-CZ 3.96Å; L24-F26 HydrophobicContact CD2-CD2 3.92Å; F26-F28 HydrophobicContact CD1-CD2 4.21Å; F26-F28 AromaticContact CD1-CE1 3.86Å; F26-F28 HydrophobicContact CD1-CE1 3.86Å; F26-F28 AromaticContact CD1-CE2 3.54Å; F26-F28 HydrophobicContact CD1-CE2 3.54Å; F26-F28 AromaticContact CD1-CZ 3.34Å; F26-F28 HydrophobicContact CD1-CZ 3.34Å; F26-F28 HydrophobicContact CE1-CD1 4.26Å; F26-F28 AromaticContact CE1-CE1 3.54Å; F26-F28 HydrophobicContact CE1-CE1 3.54Å; F26-F28 HydrophobicContact CE1-CE2 4.12Å; F26-F28 AromaticContact CE1-CZ 3.48Å; F26-F28 HydrophobicContact CE1-CZ 3.48Å; F26-F28 VanDerWaalsContact CE1-CZ 3.48Å; F26-L55 HydrophobicContact CD2-CD1 4.47Å; F26-L55 HydrophobicContact CE2-CD1 3.35Å; F26-L55 HydrophobicContact CE2-CG 4.5Å; F26-L55 HydrophobicContact CZ-CD1 3.57Å; F26-L55 HydrophobicContact CZ-CD2 4.46Å; F26-L55 HydrophobicContact CZ-CG 4.37Å; F26-Y58 HydrophobicContact CE2-CD2 4.36Å; F26-P60 HydrophobicContact CB-CB 3.66Å; F26-P60 HydrophobicContact CB-CG 3.74Å; F26-P60 HydrophobicContact CG-CG 4.47Å; F26-S62 PolarHBondContact N-O 3.31Å; F26-I63 WeakPolarHBondContact O-CA 3.39Å; F26-E64 PolarHBondContact O-N 3.34Å; F26-F89 HydrophobicContact CD1-CZ 4.15Å; F26-F89 HydrophobicContact CG-CZ 4.2Å; F26-V328 CarbonylContact C-O 3.58Å; F26-V328 WeakPolarHBondContact CA-O 3.44Å; F26-V328 HydrophobicContact CD2-CB 4.11Å; F26-V328 HydrophobicContact CD2-CG1 3.97Å; F26-V328 HydrophobicContact CE2-CB 4.18Å; F26-V328 HydrophobicContact CE2-CG1 3.52Å; F26-V328 HydrophobicContact CZ-CG1 4.29Å; F26-F330 HydrophobicContact CE1-CB 3.47Å; F26-F330 VanDerWaalsContact CE1-CB 3.47Å; F26-F330 HydrophobicContact CE1-CG 4.26Å; F26-F330 HydrophobicContact CZ-CB 3.73Å; F26-F330 HydrophobicContact CZ-CG 4.47Å
27	S	90.4	Very high	70.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.9	-172.7	-168.4	0	0	0	0	111.9	R29 E64 H66 V328 Q329 F330	S27-R29 VanDerWaalsContact OG-CZ 3.29Å; S27-R29 PolarHBondContact OG-NE 3.49Å; S27-R29 PolarHBondContact OG-NH2 3.47Å; S27-E64 CarbonylContact C-O 2.98Å; S27-E64 VanDerWaalsContact CA-O 3.32Å; S27-E64 WeakPolarHBondContact CA-O 3.25Å; S27-E64 PolarHBondContact OG-OE2 2.92Å; S27-H66 PolarHBondContact OG-CD2 3.18Å; S27-H66 VanDerWaalsContact OG-CD2 3.24Å; S27-H66 PolarHBondContact OG-NE2 2.91Å; S27-V328 PolarHBondContact N-O 3.39Å; S27-Q329 CarbonylContact O-C 3.57Å; S27-Q329 WeakPolarHBondContact O-CA 3.42Å; S27-F330 PolarHBondContact O-N 3.31Å
28	F	93.2	Very high	71.6	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.1	175.7	-60.3	-87.7	0	0	0	109.2	F26 I63 E64 I65 H66 F72 F75 F89 F330	F26-F28 HydrophobicContact CD1-CD2 4.21Å; F26-F28 AromaticContact CD1-CE1 3.86Å; F26-F28 HydrophobicContact CD1-CE1 3.86Å; F26-F28 AromaticContact CD1-CE2 3.54Å; F26-F28 HydrophobicContact CD1-CE2 3.54Å; F26-F28 AromaticContact CD1-CZ 3.34Å; F26-F28 HydrophobicContact CD1-CZ 3.34Å; F26-F28 HydrophobicContact CE1-CD1 4.26Å; F26-F28 AromaticContact CE1-CE1 3.54Å; F26-F28 HydrophobicContact CE1-CE1 3.54Å; F26-F28 HydrophobicContact CE1-CE2 4.12Å; F26-F28 AromaticContact CE1-CZ 3.48Å; F26-F28 HydrophobicContact CE1-CZ 3.48Å; F26-F28 VanDerWaalsContact CE1-CZ 3.48Å; F28-I63 HydrophobicContact CD2-CG2 4.08Å; F28-I63 HydrophobicContact CE2-CG2 3.82Å; F28-E64 PolarHBondContact N-O 3.2Å; F28-I65 HydrophobicContact CB-CG1 4.45Å; F28-I65 HydrophobicContact CD2-CG1 4.03Å; F28-H66 PolarHBondContact O-N 3.42Å; F28-F72 HydrophobicContact CB-CB 3.81Å; F28-F72 HydrophobicContact CD1-CB 3.97Å; F28-F72 HydrophobicContact CD1-CD2 4Å; F28-F72 HydrophobicContact CD2-CB 4.38Å; F28-F72 AromaticContact CD2-CD2 3.67Å; F28-F72 HydrophobicContact CD2-CD2 3.67Å; F28-F72 HydrophobicContact CD2-CE2 4.49Å; F28-F72 HydrophobicContact CD2-CG 4.43Å; F28-F72 HydrophobicContact CE1-CD2 4.01Å; F28-F72 AromaticContact CE2-CD2 3.64Å; F28-F72 HydrophobicContact CE2-CD2 3.64Å; F28-F72 HydrophobicContact CE2-CE2 4.13Å; F28-F72 HydrophobicContact CG-CB 3.8Å; F28-F72 AromaticContact CG-CD2 3.85Å; F28-F72 HydrophobicContact CG-CD2 3.85Å; F28-F72 HydrophobicContact CG-CG 4.3Å; F28-F72 AromaticContact CZ-CD2 3.82Å; F28-F72 HydrophobicContact CZ-CD2 3.82Å; F28-F72 HydrophobicContact CZ-CE2 4.32Å; F28-F75 HydrophobicContact CD1-CB 4.28Å; F28-F75 HydrophobicContact CD1-CG 4.5Å; F28-F75 HydrophobicContact CE1-CB 3.62Å; F28-F75 AromaticContact CE1-CD1 3.55Å; F28-F75 HydrophobicContact CE1-CD1 3.55Å; F28-F75 AromaticContact CE1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CE1 4.16Å; F28-F75 AromaticContact CE1-CG 3.43Å; F28-F75 HydrophobicContact CE1-CG 3.43Å; F28-F75 VanDerWaalsContact CE1-CG 3.43Å; F28-F75 HydrophobicContact CZ-CB 4.48Å; F28-F75 AromaticContact CZ-CD1 3.57Å; F28-F75 HydrophobicContact CZ-CD1 3.57Å; F28-F75 AromaticContact CZ-CE1 3.82Å; F28-F75 HydrophobicContact CZ-CE1 3.82Å; F28-F75 AromaticContact CZ-CG 3.96Å; F28-F75 HydrophobicContact CZ-CG 3.96Å; F28-F75 HydrophobicContact CZ-CZ 4.41Å; F28-F89 HydrophobicContact CZ-CZ 4.27Å; F28-F330 HydrophobicContact CD1-CB 4.16Å; F28-F330 AromaticContact CD1-CD1 3.69Å; F28-F330 HydrophobicContact CD1-CD1 3.69Å; F28-F330 HydrophobicContact CD1-CG 4.28Å; F28-F330 HydrophobicContact CE1-CB 4.31Å; F28-F330 AromaticContact CE1-CD1 3.98Å; F28-F330 HydrophobicContact CE1-CD1 3.98Å; F28-F330 HydrophobicContact CE1-CG 4.34Å
29	R	90.3	Very high	71.7	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.015	21%	0.214	C	C	.	.			trans	-160.9	161.7	-177.3	61.5	-178.4	66.2	-158.5	5.6	111.1	S27 L33 F34 Q36 E64 H66 F330 G331	S27-R29 VanDerWaalsContact OG-CZ 3.29Å; S27-R29 PolarHBondContact OG-NE 3.49Å; S27-R29 PolarHBondContact OG-NH2 3.47Å; R29-L33 WeakPolarHBondContact CD-O 3.42Å; R29-L33 PolarHBondContact NH1-O 2.9Å; R29-F34 HydrophobicContact CG-CD1 3.57Å; R29-F34 HydrophobicContact CG-CE1 3.58Å; R29-F34 WeakPolarHBondContact O-CE1 3.27Å; R29-Q36 PolarHBondContact NH1-O 3.35Å; R29-E64 IonicContact NH2-OE2 2.86Å; R29-H66 HydrophobicContact CB-CB 3.84Å; R29-H66 PolarHBondContact NH2-CD2 3.2Å; R29-H66 PolarHBondContact NH2-CE1 3.31Å; R29-H66 PolarHBondContact NH2-NE2 3.35Å; R29-F330 PolarHBondContact N-O 3.3Å; R29-F330 VanDerWaalsContact N-O 3.12Å; R29-G331 WeakPolarHBondContact O-CA 3.49Å
30	Q	89	Confident	72.4	Confident	50 Å²	50	39.5 Å²	39.5	23%	0.234	21%	0.21	C	C	.	.			trans	-62	142.2	173.6	-65.9	-64.4	-32.1	0	0	110.7	S32 L33 F34	Q30-S32 PolarHBondContact O-N 3.38Å; Q30-S32 VanDerWaalsContact O-N 3.11Å; Q30-L33 PolarHBondContact O-N 2.92Å; Q30-F34 WeakPolarHBondContact O-CD1 3.07Å
31	P	87.2	Confident	73.2	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.026	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-52.6	-34.9	178.5	-28.6	36	0	0	0	113.3	L33 F34 V338 E341	P31-L33 PolarHBondContact O-N 2.77Å; P31-L33 VanDerWaalsContact O-N 3.09Å; P31-F34 WeakPolarHBondContact O-CB 3.47Å; P31-F34 WeakPolarHBondContact O-CG 3.41Å; P31-F34 PolarHBondContact O-N 2.68Å; P31-V338 HydrophobicContact CG-CG2 3.91Å; P31-E341 HydrophobicContact CB-CB 4.06Å; P31-E341 HydrophobicContact CB-CG 4.05Å
32	S	84.4	Confident	73.9	Confident	56 Å²	56	45.8 Å²	45.8	39%	0.392	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-62.9	-15.2	177.6	58.4	0	0	0	0	114.4	Q30 Q36 E341 R345	Q30-S32 PolarHBondContact O-N 3.38Å; Q30-S32 VanDerWaalsContact O-N 3.11Å; S32-Q36 PolarHBondContact O-NE2 3.13Å; S32-E341 WeakPolarHBondContact CA-OE1 3.45Å; S32-R345 PolarHBondContact O-NH2 3.41Å
33	L	83.6	Confident	74.5	Confident	73 Å²	73	53.5 Å²	53.5	38%	0.382	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-108.1	9.7	178.1	-57.8	177.5	0	0	0	112.8	R29 Q30 P31 Q36	R29-L33 WeakPolarHBondContact CD-O 3.42Å; R29-L33 PolarHBondContact NH1-O 2.9Å; Q30-L33 PolarHBondContact O-N 2.92Å; P31-L33 PolarHBondContact O-N 2.77Å; P31-L33 VanDerWaalsContact O-N 3.09Å; L33-Q36 PolarHBondContact O-N 2.84Å
34	F	83.7	Confident	74.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	143.9	175.8	-77.3	15.4	0	0	0	110.8	W10 R29 Q30 P31 Q36 Q329 V338 F342 R345	W10-F34 HydrophobicContact CB-CD2 3.3Å; W10-F34 HydrophobicContact CB-CE2 3.52Å; W10-F34 HydrophobicContact CB-CG 4.24Å; W10-F34 HydrophobicContact CD2-CD2 4.32Å; W10-F34 HydrophobicContact CG-CB 4.35Å; W10-F34 AromaticContact CG-CD2 3.73Å; W10-F34 HydrophobicContact CG-CD2 3.73Å; W10-F34 HydrophobicContact CG-CE2 4.42Å; W10-F34 HydrophobicContact CG-CG 4.34Å; R29-F34 HydrophobicContact CG-CD1 3.57Å; R29-F34 HydrophobicContact CG-CE1 3.58Å; R29-F34 WeakPolarHBondContact O-CE1 3.27Å; Q30-F34 WeakPolarHBondContact O-CD1 3.07Å; P31-F34 WeakPolarHBondContact O-CB 3.47Å; P31-F34 WeakPolarHBondContact O-CG 3.41Å; P31-F34 PolarHBondContact O-N 2.68Å; F34-Q36 PolarHBondContact O-N 3.19Å; F34-Q329 HydrophobicContact CD1-CB 4.15Å; F34-Q329 HydrophobicContact CE1-CB 4.01Å; F34-Q329 HydrophobicContact CE2-CB 4.47Å; F34-Q329 HydrophobicContact CG-CB 4.42Å; F34-Q329 HydrophobicContact CZ-CB 4.18Å; F34-V338 HydrophobicContact CE2-CG1 4.21Å; F34-F342 HydrophobicContact CB-CE2 4.2Å; F34-F342 HydrophobicContact CB-CZ 3.57Å; F34-F342 AromaticContact CD2-CE2 3.38Å; F34-F342 HydrophobicContact CD2-CE2 3.38Å; F34-F342 AromaticContact CD2-CZ 3.46Å; F34-F342 HydrophobicContact CD2-CZ 3.46Å; F34-F342 VanDerWaalsContact CD2-CZ 3.46Å; F34-F342 HydrophobicContact CE2-CE2 4.07Å; F34-F342 HydrophobicContact CG-CE2 4.15Å; F34-F342 AromaticContact CG-CZ 3.97Å; F34-F342 HydrophobicContact CG-CZ 3.97Å; F34-R345 PolarHBondContact O-NH1 3.36Å
35	G	75.1	Confident	74.9	Confident	7 Å²	7	54.4 Å²	54.4	7%	0.072	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	13.7	-176.7	0	0	0	0	0	115.1	L42	G35-L42 WeakPolarHBondContact O-CB 3.33Å; G35-L42 PolarHBondContact O-N 3.38Å
36	Q	74	Confident	74.6	Confident	63 Å²	63	55.5 Å²	55.5	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	151.2	178.1	-60.4	175.8	22.9	0	0	110.9	R29 S32 L33 F34 N40	R29-Q36 PolarHBondContact NH1-O 3.35Å; S32-Q36 PolarHBondContact O-NE2 3.13Å; L33-Q36 PolarHBondContact O-N 2.84Å; F34-Q36 PolarHBondContact O-N 3.19Å; Q36-N40 CarbonylContact C-O 3.52Å; Q36-N40 WeakPolarHBondContact CA-O 3.2Å
37	F	63.9	Low	74.3	Confident	37 Å²	37	56 Å²	56	16%	0.162	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	108.6	165.4	-171	-94.1	0	0	0	108.8	W39 N40 L42 Y99	F37-W39 PolarHBondContact O-N 3.21Å; F37-N40 PolarHBondContact N-O 3.12Å; F37-N40 PolarHBondContact O-N 3.32Å; F37-L42 HydrophobicContact CB-CD1 4.08Å; F37-L42 HydrophobicContact CB-CD2 4.15Å; F37-L42 HydrophobicContact CB-CG 4.19Å; F37-Y99 HydrophobicContact CE2-CE1 4.4Å; F37-Y99 HydrophobicContact CZ-CE1 4.33Å
38	G	61.9	Low	74	Confident	64 Å²	64	56.9 Å²	56.9	66%	0.66	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-126.4	-165.5	0	0	0	0	0	110.5
39	W	49	Very low	73.6	Confident	251 Å²	251	60 Å²	60	95%	0.951	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-9.2	178.3	-57	94	0	0	0	113.8	F37	F37-W39 PolarHBondContact O-N 3.21Å
40	N	54.4	Low	73.5	Confident	106 Å²	106	60.6 Å²	60.6	57%	0.567	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.3	-176	-65.1	-27.1	0	0	0	110.5	Q36 F37	Q36-N40 CarbonylContact C-O 3.52Å; Q36-N40 WeakPolarHBondContact CA-O 3.2Å; F37-N40 PolarHBondContact N-O 3.12Å; F37-N40 PolarHBondContact O-N 3.32Å
41	K	56.3	Low	73.5	Confident	146 Å²	146	65 Å²	65	64%	0.635	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.4	162.1	-74.7	-171.2	174.4	-169.9	0	108.5	E347	K41-E347 IonicContact NZ-OE1 3.52Å; K41-E347 PolarHBondContact NZ-OE1 3.48Å; K41-E347 VanDerWaalsContact NZ-OE1 3.14Å; K41-E347 IonicContact NZ-OE2 3.65Å
42	L	61.2	Low	73.7	Confident	13 Å²	13	65.4 Å²	65.4	7%	0.068	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-70.4	158.2	166.2	-59.7	172.5	0	0	0	108.5	D16 G35 F37	D16-L42 WeakPolarHBondContact OD1-CD2 3.2Å; D16-L42 WeakPolarHBondContact OD2-CD2 3.23Å; G35-L42 WeakPolarHBondContact O-CB 3.33Å; G35-L42 PolarHBondContact O-N 3.38Å; F37-L42 HydrophobicContact CB-CD1 4.08Å; F37-L42 HydrophobicContact CB-CD2 4.15Å; F37-L42 HydrophobicContact CB-CG 4.19Å
43	R	61.9	Low	73.9	Confident	177 Å²	177	68.1 Å²	68.1	67%	0.668	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-56.2	169.7	177	-77.8	-160.8	178.5	-176.7	0.5	111.7	G45	R43-G45 PolarHBondContact O-N 2.97Å
44	S	65.4	Low	74.1	Confident	86 Å²	86	66.4 Å²	66.4	60%	0.601	32%	0.324	S	S	*	.			trans	-48	114.4	171.5	55	0	0	0	0	110.7
45	G	74.3	Confident	74.3	Confident	2 Å²	2	66.3 Å²	66.3	2%	0.021	32%	0.323	C	S	.	.			trans	-102.7	-176.1	162.2	0	0	0	0	0	109.8	W10 A11 R43	W10-G45 WeakPolarHBondContact CH2-O 3.44Å; W10-G45 VanDerWaalsContact CZ2-N 3.32Å; W10-G45 WeakPolarHBondContact CZ2-O 3.33Å; W10-G45 VanDerWaalsContact CZ3-C 3.48Å; W10-G45 WeakPolarHBondContact CZ3-O 3.47Å; A11-G45 CarbonylContact O-C 3.08Å; A11-G45 WeakPolarHBondContact O-CA 3.48Å; R43-G45 PolarHBondContact O-N 2.97Å
46	E	76.7	Confident	75	Confident	22 Å²	22	66.1 Å²	66.1	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	148.7	-172.6	-53.7	-179.2	122.4	0	0	111.2	W10 A11 V349 W350 L351	W10-E46 CarbonylContact C-O 3.59Å; W10-E46 WeakPolarHBondContact CA-O 3.44Å; A11-E46 PolarHBondContact N-O 3.03Å; A11-E46 PolarHBondContact O-N 3.08Å; E46-V349 WeakPolarHBondContact CB-O 3.21Å; E46-V349 WeakPolarHBondContact CG-O 3.38Å; E46-V349 WeakPolarHBondContact OE1-CG1 3.17Å; E46-W350 WeakPolarHBondContact OE1-CA 3.43Å; E46-W350 PolarHBondContact OE1-N 3.31Å; E46-L351 HydrophobicContact CB-CG 4.23Å; E46-L351 VanDerWaalsContact CD-CA 3.46Å; E46-L351 VanDerWaalsContact CD-N 3.3Å; E46-L351 WeakPolarHBondContact OE1-CA 3.5Å; E46-L351 PolarHBondContact OE1-N 2.61Å; E46-L351 WeakPolarHBondContact OE2-CA 3.46Å; E46-L351 WeakPolarHBondContact OE2-CD2 3.47Å; E46-L351 WeakPolarHBondContact OE2-CG 3.48Å; E46-L351 PolarHBondContact OE2-N 2.98Å
47	L	84	Confident	75.7	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137	174.5	-72.9	176.3	0	0	0	110.8	L8 L9 W10 V338 F342 W350	L8-L47 HydrophobicContact CD1-CB 4.13Å; L8-L47 HydrophobicContact CD1-CD2 4.4Å; L8-L47 HydrophobicContact CD2-CD1 4.41Å; L8-L47 HydrophobicContact CD2-CD2 4.47Å; L8-L47 HydrophobicContact CG-CD2 4.2Å; L9-L47 CarbonylContact O-C 3.53Å; L9-L47 VanDerWaalsContact O-CA 3.29Å; L9-L47 WeakPolarHBondContact O-CA 3.41Å; W10-L47 HydrophobicContact CB-CD2 4.19Å; W10-L47 HydrophobicContact CE3-CD2 3.99Å; W10-L47 HydrophobicContact CE3-CG 3.95Å; W10-L47 HydrophobicContact CZ3-CG 4.43Å; L47-V338 HydrophobicContact CD2-CG1 3.81Å; L47-F342 HydrophobicContact CD1-CB 3.87Å; L47-F342 HydrophobicContact CD1-CD2 3.62Å; L47-F342 HydrophobicContact CD1-CE2 4.39Å; L47-F342 HydrophobicContact CD1-CG 3.75Å; L47-F342 HydrophobicContact CD2-CD2 3.81Å; L47-F342 HydrophobicContact CD2-CE2 3.73Å; L47-F342 HydrophobicContact CD2-CZ 4.38Å; L47-F342 HydrophobicContact CG-CD2 3.91Å; L47-F342 HydrophobicContact CG-CE2 4.21Å; L47-F342 HydrophobicContact CG-CG 4.14Å; L47-W350 HydrophobicContact CB-CH2 4.46Å; L47-W350 HydrophobicContact CB-CZ3 4.33Å
48	F	83.9	Confident	76.7	Confident	17 Å²	17	64.5 Å²	64.5	8%	0.075	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.8	172.2	75.9	-79.8	0	0	0	111.4	L9 A11 T50 Y58 V328 L351 L359	L9-F48 HydrophobicContact CB-CD1 3.94Å; L9-F48 HydrophobicContact CB-CE1 3.36Å; L9-F48 HydrophobicContact CB-CE2 4.14Å; L9-F48 HydrophobicContact CB-CZ 3.5Å; L9-F48 HydrophobicContact CD1-CE1 4.25Å; L9-F48 HydrophobicContact CD1-CE2 3.81Å; L9-F48 HydrophobicContact CD1-CZ 3.48Å; L9-F48 VanDerWaalsContact CD1-CZ 3.48Å; L9-F48 HydrophobicContact CG-CE1 4.44Å; L9-F48 HydrophobicContact CG-CZ 4.12Å; L9-F48 PolarHBondContact N-O 3.23Å; L9-F48 PolarHBondContact O-N 3.05Å; A11-F48 HydrophobicContact CB-CD1 3.77Å; A11-F48 HydrophobicContact CB-CE1 3.58Å; F48-T50 HydrophobicContact CE2-CG2 4.35Å; F48-Y58 WeakPolarHBondContact CE2-OH 3.26Å; F48-Y58 HydrophobicContact CZ-CE2 4.46Å; F48-V328 HydrophobicContact CE1-CG1 4.14Å; F48-V328 HydrophobicContact CE1-CG2 4.04Å; F48-V328 HydrophobicContact CZ-CG1 4.02Å; F48-V328 HydrophobicContact CZ-CG2 4.02Å; F48-L351 HydrophobicContact CB-CD1 4.19Å; F48-L359 HydrophobicContact CE1-CD1 4.39Å; F48-L359 HydrophobicContact CE2-CD1 4.22Å; F48-L359 HydrophobicContact CZ-CD1 4.06Å
49	V	86.4	Confident	78	Confident	68 Å²	68	61.7 Å²	61.7	41%	0.412	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134	176.4	179	0	0	0	0	109	D6 V7 L8	D6-V49 HydrophobicContact CB-CG1 3.57Å; V7-V49 WeakPolarHBondContact O-CA 3.19Å; L8-V49 HydrophobicContact CD1-CG2 3.71Å
50	T	87.5	Confident	79.9	Confident	17 Å²	17	49.8 Å²	49.8	10%	0.104	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	166.1	171.6	-165.2	0	0	0	0	110.8	D6 V7 L9 F48 L55	D6-T50 CarbonylContact C-O 3.58Å; D6-T50 WeakPolarHBondContact CA-O 3.19Å; V7-T50 HydrophobicContact CB-CG2 4.45Å; V7-T50 PolarHBondContact N-O 2.75Å; V7-T50 PolarHBondContact O-N 3.12Å; L9-T50 HydrophobicContact CD1-CG2 3.4Å; L9-T50 VanDerWaalsContact CD1-CG2 3.4Å; L9-T50 HydrophobicContact CG-CG2 4.37Å; F48-T50 HydrophobicContact CE2-CG2 4.35Å; T50-L55 HydrophobicContact CG2-CB 4.05Å; T50-L55 HydrophobicContact CG2-CD1 4.4Å
51	R	89.5	Confident	81.4	Confident	142 Å²	142	45.5 Å²	45.5	54%	0.536	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.4	173.8	-66.6	-175.6	179.5	176	1.1	110.4	K53 S54 L55	R51-K53 VanDerWaalsContact C-N 3.31Å; R51-K53 PolarHBondContact O-N 2.85Å; R51-S54 WeakPolarHBondContact O-CB 3.39Å; R51-S54 PolarHBondContact O-N 2.95Å; R51-L55 PolarHBondContact O-N 3Å
52	W	90.1	Very high	82.8	Confident	13 Å²	13	38.6 Å²	38.6	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-48	-48.9	176.1	177.6	-105	0	0	0	113.7	S5 V7 S54 L55 V56 F75 R78 L79 F333	S5-W52 PolarHBondContact O-N 2.98Å; S5-W52 VanDerWaalsContact O-N 3.12Å; V7-W52 HydrophobicContact CG2-CE3 4.19Å; W52-S54 VanDerWaalsContact C-N 3.29Å; W52-S54 PolarHBondContact O-N 3.36Å; W52-L55 HydrophobicContact CE3-CD2 4.15Å; W52-L55 HydrophobicContact CZ3-CD2 4.15Å; W52-L55 WeakPolarHBondContact O-CB 3.28Å; W52-L55 PolarHBondContact O-N 3.15Å; W52-L55 VanDerWaalsContact O-N 3.08Å; W52-V56 HydrophobicContact CD2-CG2 4.19Å; W52-V56 HydrophobicContact CH2-CG2 4.49Å; W52-V56 HydrophobicContact CZ2-CG2 3.8Å; W52-V56 WeakPolarHBondContact O-CG2 3.33Å; W52-V56 PolarHBondContact O-N 3.49Å; W52-F75 AromaticContact CH2-CD2 3.94Å; W52-F75 HydrophobicContact CH2-CD2 3.94Å; W52-F75 AromaticContact CH2-CE2 3.71Å; W52-F75 HydrophobicContact CH2-CE2 3.71Å; W52-F75 HydrophobicContact CH2-CZ 4.16Å; W52-F75 AromaticContact CZ3-CD2 3.75Å; W52-F75 HydrophobicContact CZ3-CD2 3.75Å; W52-F75 AromaticContact CZ3-CE2 3.54Å; W52-F75 HydrophobicContact CZ3-CE2 3.54Å; W52-F75 HydrophobicContact CZ3-CZ 4.38Å; W52-R78 HydrophobicContact CD2-CG 4.46Å; W52-R78 HydrophobicContact CH2-CB 3.98Å; W52-R78 HydrophobicContact CH2-CG 3.82Å; W52-R78 HydrophobicContact CZ2-CB 4.19Å; W52-R78 HydrophobicContact CZ2-CG 3.69Å; W52-R78 HydrophobicContact CZ3-CG 4.27Å; W52-L79 HydrophobicContact CH2-CB 4.3Å; W52-L79 HydrophobicContact CH2-CD1 4.32Å; W52-L79 HydrophobicContact CZ2-CB 4.24Å; W52-L79 HydrophobicContact CZ2-CD1 3.91Å; W52-F333 HydrophobicContact CE3-CE1 4.03Å; W52-F333 HydrophobicContact CE3-CZ 4.31Å; W52-F333 HydrophobicContact CH2-CZ 4.33Å; W52-F333 AromaticContact CZ3-CE1 3.82Å; W52-F333 HydrophobicContact CZ3-CE1 3.82Å; W52-F333 AromaticContact CZ3-CZ 3.67Å; W52-F333 HydrophobicContact CZ3-CZ 3.67Å
53	K	88.4	Confident	84.3	Confident	112 Å²	112	38 Å²	38	49%	0.487	19%	0.187	S	C	.	.	H	α-helix	trans	-58.9	-39.3	179.2	-69	178.5	-178.3	163.6	0	112.9	E4 R51 S57	E4-K53 IonicContact OE1-NZ 2.91Å; E4-K53 PolarHBondContact OE1-NZ 3.38Å; R51-K53 VanDerWaalsContact C-N 3.31Å; R51-K53 PolarHBondContact O-N 2.85Å; K53-S57 PolarHBondContact O-N 3.3Å
54	S	88	Confident	85.6	Confident	37 Å²	37	29.5 Å²	29.5	26%	0.259	16%	0.155	S	C	.	.	H	α-helix	trans	-71.1	-34.3	176.8	-58.5	0	0	0	0	111.9	R51 W52 S57 Y58	R51-S54 WeakPolarHBondContact O-CB 3.39Å; R51-S54 PolarHBondContact O-N 2.95Å; W52-S54 VanDerWaalsContact C-N 3.29Å; W52-S54 PolarHBondContact O-N 3.36Å; S54-S57 WeakPolarHBondContact CA-OG 3.41Å; S54-S57 PolarHBondContact O-N 3.4Å; S54-S57 PolarHBondContact O-OG 3.15Å; S54-Y58 WeakPolarHBondContact O-CD1 3.49Å; S54-Y58 WeakPolarHBondContact O-CE1 3.34Å; S54-Y58 PolarHBondContact O-N 3.45Å
55	L	88.5	Confident	86.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.7	-42	174.5	-175.9	57.5	0	0	0	112	V7 L9 F26 T50 R51 W52 S57 Y58 F75	V7-L55 HydrophobicContact CB-CD2 4.21Å; V7-L55 HydrophobicContact CG1-CD2 3.84Å; V7-L55 HydrophobicContact CG2-CD2 4.23Å; L9-L55 HydrophobicContact CD1-CD1 3.55Å; L9-L55 HydrophobicContact CD1-CD2 4.49Å; L9-L55 HydrophobicContact CD2-CD1 4.42Å; F26-L55 HydrophobicContact CD2-CD1 4.47Å; F26-L55 HydrophobicContact CE2-CD1 3.35Å; F26-L55 HydrophobicContact CE2-CG 4.5Å; F26-L55 HydrophobicContact CZ-CD1 3.57Å; F26-L55 HydrophobicContact CZ-CD2 4.46Å; F26-L55 HydrophobicContact CZ-CG 4.37Å; T50-L55 HydrophobicContact CG2-CB 4.05Å; T50-L55 HydrophobicContact CG2-CD1 4.4Å; R51-L55 PolarHBondContact O-N 3Å; W52-L55 HydrophobicContact CE3-CD2 4.15Å; W52-L55 HydrophobicContact CZ3-CD2 4.15Å; W52-L55 WeakPolarHBondContact O-CB 3.28Å; W52-L55 PolarHBondContact O-N 3.15Å; W52-L55 VanDerWaalsContact O-N 3.08Å; L55-S57 VanDerWaalsContact C-N 3.31Å; L55-S57 PolarHBondContact O-N 2.63Å; L55-Y58 HydrophobicContact CD1-CD2 3.61Å; L55-Y58 HydrophobicContact CD1-CE2 3.77Å; L55-Y58 WeakPolarHBondContact O-CB 3.34Å; L55-Y58 PolarHBondContact O-N 3.12Å; L55-F75 HydrophobicContact CD2-CE2 3.75Å; L55-F75 HydrophobicContact CG-CE2 4.13Å
56	V	90	Very high	87.6	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.018	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-38.8	176.2	175.1	0	0	0	0	111	W52 Y58 L79 D85 L88 F89	W52-V56 HydrophobicContact CD2-CG2 4.19Å; W52-V56 HydrophobicContact CH2-CG2 4.49Å; W52-V56 HydrophobicContact CZ2-CG2 3.8Å; W52-V56 WeakPolarHBondContact O-CG2 3.33Å; W52-V56 PolarHBondContact O-N 3.49Å; V56-Y58 PolarHBondContact O-N 3.31Å; V56-L79 HydrophobicContact CG1-CD1 4.19Å; V56-L79 HydrophobicContact CG2-CD1 3.77Å; V56-D85 HydrophobicContact CG1-CB 3.65Å; V56-D85 HydrophobicContact CG2-CB 4.32Å; V56-L88 HydrophobicContact CG1-CB 4.3Å; V56-L88 HydrophobicContact CG1-CD2 4.09Å; V56-L88 HydrophobicContact CG1-CG 4.35Å; V56-F89 HydrophobicContact CG1-CB 4.45Å
57	S	88	Confident	88	Confident	45 Å²	45	26.6 Å²	26.6	32%	0.315	14%	0.138	S	C	.	.	H	α-helix	trans	-72.1	-13.7	-179.6	62.3	0	0	0	0	114.4	K53 S54 L55 S59 N363	K53-S57 PolarHBondContact O-N 3.3Å; S54-S57 WeakPolarHBondContact CA-OG 3.41Å; S54-S57 PolarHBondContact O-N 3.4Å; S54-S57 PolarHBondContact O-OG 3.15Å; L55-S57 VanDerWaalsContact C-N 3.31Å; L55-S57 PolarHBondContact O-N 2.63Å; S57-S59 PolarHBondContact O-N 2.91Å; S57-S59 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact O-OG 2.99Å; S57-N363 PolarHBondContact OG-OD1 3.36Å
58	Y	86.1	Confident	87.8	Confident	21 Å²	21	33 Å²	33	8%	0.082	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.8	178	-77	-4.3	0	0	0	114	L9 L24 F26 F48 S54 L55 V56 N363	L9-Y58 HydrophobicContact CD1-CE2 4.28Å; L24-Y58 HydrophobicContact CD2-CD2 3.35Å; L24-Y58 HydrophobicContact CD2-CE2 4.21Å; L24-Y58 HydrophobicContact CD2-CG 3.67Å; F26-Y58 HydrophobicContact CE2-CD2 4.36Å; F48-Y58 WeakPolarHBondContact CE2-OH 3.26Å; F48-Y58 HydrophobicContact CZ-CE2 4.46Å; S54-Y58 WeakPolarHBondContact O-CD1 3.49Å; S54-Y58 WeakPolarHBondContact O-CE1 3.34Å; S54-Y58 PolarHBondContact O-N 3.45Å; L55-Y58 HydrophobicContact CD1-CD2 3.61Å; L55-Y58 HydrophobicContact CD1-CE2 3.77Å; L55-Y58 WeakPolarHBondContact O-CB 3.34Å; L55-Y58 PolarHBondContact O-N 3.12Å; V56-Y58 PolarHBondContact O-N 3.31Å; Y58-N363 WeakPolarHBondContact CD1-OD1 3.44Å
59	S	88	Confident	87.1	Confident	6 Å²	6	32.5 Å²	32.5	4%	0.042	16%	0.164	C	C	.	.			trans	45.3	62.5	173	-47	0	0	0	0	113.5	S57 L88 F89 Q92	S57-S59 PolarHBondContact O-N 2.91Å; S57-S59 VanDerWaalsContact O-N 3.15Å; S57-S59 PolarHBondContact O-OG 2.99Å; S59-L88 PolarHBondContact OG-O 3.12Å; S59-L88 VanDerWaalsContact OG-O 3.13Å; S59-F89 WeakPolarHBondContact CA-O 3.34Å; S59-Q92 WeakPolarHBondContact O-CB 2.97Å
60	P	88.9	Confident	86.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.			trans	-64.7	141.2	-170.4	27.9	-37.5	0	0	0	113.1	L24 F26 I63 F89 T93	L24-P60 HydrophobicContact CB-CB 4.41Å; L24-P60 WeakPolarHBondContact O-CA 3.47Å; L24-P60 WeakPolarHBondContact O-CB 3.5Å; F26-P60 HydrophobicContact CB-CB 3.66Å; F26-P60 HydrophobicContact CB-CG 3.74Å; F26-P60 HydrophobicContact CG-CG 4.47Å; P60-I63 HydrophobicContact CG-CD1 4.24Å; P60-I63 HydrophobicContact CG-CG1 3.97Å; P60-F89 WeakPolarHBondContact CD-O 3.29Å; P60-F89 HydrophobicContact CG-CD2 4.45Å; P60-F89 HydrophobicContact CG-CE1 3.9Å; P60-F89 HydrophobicContact CG-CE2 3.83Å; P60-F89 HydrophobicContact CG-CZ 3.52Å; P60-T93 VanDerWaalsContact O-CA 3.3Å; P60-T93 WeakPolarHBondContact O-CA 3.25Å; P60-T93 PolarHBondContact O-N 3.06Å; P60-T93 PolarHBondContact O-OG1 2.85Å
61	N	86.3	Confident	86.9	Confident	16 Å²	16	35 Å²	35	9%	0.086	17%	0.17	C	C	.	.	S	Bend	trans	-77.8	-29.6	174.7	-66.3	49.5	0	0	0	111.6	S22 N23 L24 Q92 C94 Y95	S22-N61 WeakPolarHBondContact O-CB 3.45Å; S22-N61 PolarHBondContact OG-ND2 2.84Å; N23-N61 VanDerWaalsContact CB-OD1 3.26Å; N23-N61 WeakPolarHBondContact CB-OD1 3.46Å; N23-N61 PolarHBondContact ND2-OD1 3.46Å; N23-N61 VanDerWaalsContact ND2-OD1 3.15Å; L24-N61 PolarHBondContact O-N 3.25Å; N61-Q92 WeakPolarHBondContact CA-O 3.44Å; N61-Q92 PolarHBondContact OD1-OE1 3.03Å; N61-C94 PolarHBondContact O-N 3.26Å; N61-C94 PolarHBondContact O-SG 3.26Å; N61-Y95 PolarHBondContact O-N 3.32Å
62	S	86.7	Confident	87.1	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.8	179.8	170.2	0	0	0	0	110.3	A25 F26 Y95	A25-S62 WeakPolarHBondContact CA-O 3.26Å; F26-S62 PolarHBondContact N-O 3.31Å; S62-Y95 WeakPolarHBondContact CA-O 3.43Å; S62-Y95 WeakPolarHBondContact OG-CD1 3.02Å
63	I	91.1	Very high	87.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132	172.5	-66.3	179.5	0	0	0	108.9	F26 F28 P60 I65 F89 F90 T93 Y95 L96 A97	F26-I63 WeakPolarHBondContact O-CA 3.39Å; F28-I63 HydrophobicContact CD2-CG2 4.08Å; F28-I63 HydrophobicContact CE2-CG2 3.82Å; P60-I63 HydrophobicContact CG-CD1 4.24Å; P60-I63 HydrophobicContact CG-CG1 3.97Å; I63-I65 HydrophobicContact CG2-CD1 4.38Å; I63-I65 HydrophobicContact CG2-CG1 4.12Å; I63-F89 HydrophobicContact CD1-CE1 3.84Å; I63-F90 HydrophobicContact CD1-CD1 3.51Å; I63-F90 HydrophobicContact CD1-CE1 3.3Å; I63-T93 HydrophobicContact CD1-CG2 3.89Å; I63-T93 HydrophobicContact CG1-CG2 4.1Å; I63-Y95 PolarHBondContact N-O 3.04Å; I63-L96 HydrophobicContact CB-CD1 3.91Å; I63-L96 HydrophobicContact CG2-CD1 3.7Å; I63-L96 CarbonylContact O-C 3.53Å; I63-L96 WeakPolarHBondContact O-CA 3.03Å; I63-A97 PolarHBondContact O-N 2.83Å
64	E	89.9	Confident	87.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	127.7	179.5	-61.6	172.1	-174.3	0	0	109.6	R14 F26 S27 F28 R29 H66 Y95 A97 Y99	R14-E64 IonicContact CZ-OE1 3.3Å; R14-E64 IonicContact CZ-OE2 3.16Å; R14-E64 IonicContact NH1-OE1 2.7Å; R14-E64 PolarHBondContact NH1-OE1 2.68Å; R14-E64 IonicContact NH1-OE2 3.54Å; R14-E64 IonicContact NH2-OE1 3.51Å; R14-E64 PolarHBondContact NH2-OE1 2.78Å; R14-E64 IonicContact NH2-OE2 3.04Å; R14-E64 PolarHBondContact NH2-OE2 3.29Å; F26-E64 PolarHBondContact O-N 3.34Å; S27-E64 CarbonylContact C-O 2.98Å; S27-E64 VanDerWaalsContact CA-O 3.32Å; S27-E64 WeakPolarHBondContact CA-O 3.25Å; S27-E64 PolarHBondContact OG-OE2 2.92Å; F28-E64 PolarHBondContact N-O 3.2Å; R29-E64 IonicContact NH2-OE2 2.86Å; E64-H66 IonicContact OE2-NE2 2.83Å; E64-Y95 HydrophobicContact CG-CE1 4.47Å; E64-A97 CarbonylContact C-O 3.56Å; E64-A97 VanDerWaalsContact CA-O 3.32Å; E64-A97 WeakPolarHBondContact CA-O 3.48Å; E64-A97 HydrophobicContact CG-CB 4.27Å; E64-Y99 HydrophobicContact CB-CE2 4.04Å; E64-Y99 HydrophobicContact CG-CE2 4.22Å
65	I	92.5	Very high	87.6	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.1	-178.8	-57.2	171.8	0	0	0	108.2	F28 I63 F72 L96 A97 L98 Y99 C101 I103 I111	F28-I65 HydrophobicContact CB-CG1 4.45Å; F28-I65 HydrophobicContact CD2-CG1 4.03Å; I63-I65 HydrophobicContact CG2-CD1 4.38Å; I63-I65 HydrophobicContact CG2-CG1 4.12Å; I65-F72 HydrophobicContact CD1-CB 4.35Å; I65-F72 HydrophobicContact CD1-CD1 3.59Å; I65-F72 HydrophobicContact CD1-CD2 3.75Å; I65-F72 HydrophobicContact CD1-CE1 3.74Å; I65-F72 HydrophobicContact CD1-CE2 3.9Å; I65-F72 HydrophobicContact CD1-CG 3.6Å; I65-F72 HydrophobicContact CD1-CZ 3.91Å; I65-F72 HydrophobicContact CG1-CB 4.35Å; I65-F72 HydrophobicContact CG1-CD1 4.46Å; I65-F72 HydrophobicContact CG1-CD2 4.13Å; I65-F72 HydrophobicContact CG1-CG 4.04Å; I65-F72 HydrophobicContact CG2-CB 4.04Å; I65-F72 HydrophobicContact CG2-CG 4.39Å; I65-L96 HydrophobicContact CD1-CD1 4.36Å; I65-A97 PolarHBondContact N-O 2.86Å; I65-L98 HydrophobicContact CB-CD2 3.97Å; I65-L98 HydrophobicContact CD1-CD2 3.73Å; I65-L98 HydrophobicContact CG1-CD2 4.16Å; I65-Y99 PolarHBondContact O-N 2.85Å; I65-C101 HydrophobicContact CG2-CB 3.98Å; I65-I103 HydrophobicContact CD1-CD1 4.04Å; I65-I111 HydrophobicContact CD1-CD1 4.13Å
66	H	88.7	Confident	87.9	Confident	23 Å²	23	24.3 Å²	24.3	11%	0.106	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.1	-175.4	-61.9	-100.2	0	0	0	113.4	S27 F28 R29 E64 Y99	S27-H66 PolarHBondContact OG-CD2 3.18Å; S27-H66 VanDerWaalsContact OG-CD2 3.24Å; S27-H66 PolarHBondContact OG-NE2 2.91Å; F28-H66 PolarHBondContact O-N 3.42Å; R29-H66 HydrophobicContact CB-CB 3.84Å; R29-H66 PolarHBondContact NH2-CD2 3.2Å; R29-H66 PolarHBondContact NH2-CE1 3.31Å; R29-H66 PolarHBondContact NH2-NE2 3.35Å; E64-H66 IonicContact OE2-NE2 2.83Å; H66-Y99 CarbonylContact C-O 3.59Å; H66-Y99 WeakPolarHBondContact CA-O 3.48Å; H66-Y99 AromaticContact CD2-CD2 3.86Å; H66-Y99 AromaticContact CE1-CD2 3.09Å; H66-Y99 WeakPolarHBondContact CE1-CD2 3.37Å; H66-Y99 AromaticContact CE1-CE2 3.32Å; H66-Y99 WeakPolarHBondContact CE1-CE2 3.18Å; H66-Y99 AromaticContact CE1-CG 3.51Å; H66-Y99 AromaticContact CE1-CZ 3.95Å; H66-Y99 AromaticContact CG-CD2 3.83Å; H66-Y99 AromaticContact ND1-CD2 3.36Å; H66-Y99 WeakPolarHBondContact ND1-CD2 3.46Å; H66-Y99 AromaticContact ND1-CG 3.45Å; H66-Y99 AromaticContact NE2-CD2 3.45Å; H66-Y99 WeakPolarHBondContact NE2-CD2 3.48Å; H66-Y99 AromaticContact NE2-CE2 3.52Å
67	G	85.3	Confident	88.1	Confident	24 Å²	24	29.3 Å²	29.3	25%	0.247	16%	0.158	C	C	.	.	S	Bend	trans	60.7	-157.4	178.3	0	0	0	0	0	111.6	S69 Y99 S100 C101	G67-S69 PolarHBondContact O-N 3.07Å; G67-S69 VanDerWaalsContact O-N 3.09Å; G67-Y99 PolarHBondContact N-O 3.29Å; G67-S100 CarbonylContact C-O 3.56Å; G67-S100 WeakPolarHBondContact CA-O 3.38Å; G67-C101 WeakPolarHBondContact O-CA 3.39Å; G67-C101 WeakPolarHBondContact O-CB 3.36Å
68	K	80.5	Confident	88.3	Confident	148 Å²	148	30.2 Å²	30.2	64%	0.643	16%	0.155	S	C	*	.	S	Bend	trans	-54.9	120.7	174	-63.7	-173.6	-179.2	-177.7	0	109.8	Q70 D102	K68-Q70 PolarHBondContact O-N 3.44Å; K68-D102 WeakPolarHBondContact CA-OD1 3.2Å
69	S	68.5	Low	88.7	Confident	5 Å²	5	29.2 Å²	29.2	4%	0.035	15%	0.151	C	C	.	.			trans	-67.9	11.1	-167.1	60	0	0	0	0	114.4	G67 P71 F72 I73 D102	G67-S69 PolarHBondContact O-N 3.07Å; G67-S69 VanDerWaalsContact O-N 3.09Å; S69-P71 VanDerWaalsContact O-N 3.16Å; S69-F72 CarbonylContact O-C 3.41Å; S69-F72 WeakPolarHBondContact O-CA 3.38Å; S69-F72 WeakPolarHBondContact O-CB 3.46Å; S69-F72 PolarHBondContact O-N 3.39Å; S69-I73 WeakPolarHBondContact O-CG1 3.32Å; S69-I73 PolarHBondContact O-N 3.35Å; S69-I73 WeakPolarHBondContact OG-CG1 3.39Å; S69-D102 VanDerWaalsContact CB-OD1 3.26Å; S69-D102 WeakPolarHBondContact CB-OD1 3.48Å; S69-D102 PolarHBondContact N-OD1 2.86Å; S69-D102 PolarHBondContact OG-OD1 3.24Å
70	Q	80.8	Confident	88.8	Confident	134 Å²	134	31.6 Å²	31.6	63%	0.626	17%	0.168	S	C	*	.	H	α-helix	trans	-49	-45.7	-174.8	-69.5	-167.5	-10.8	0	0	114.7	K68 F72 I73 A74	K68-Q70 PolarHBondContact O-N 3.44Å; Q70-F72 PolarHBondContact O-N 3.08Å; Q70-I73 PolarHBondContact O-N 3.1Å; Q70-A74 WeakPolarHBondContact O-CB 3.21Å; Q70-A74 PolarHBondContact O-N 3.01Å
71	P	89.4	Confident	88.8	Confident	5 Å²	5	36 Å²	36	3%	0.032	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-44.2	174.6	-22.4	34.8	0	0	0	111.8	S69 A74 F75 F330	S69-P71 VanDerWaalsContact O-N 3.16Å; P71-A74 PolarHBondContact O-N 3.17Å; P71-F75 WeakPolarHBondContact O-CB 3.15Å; P71-F75 PolarHBondContact O-N 3.15Å; P71-F330 HydrophobicContact CB-CD1 3.91Å; P71-F330 HydrophobicContact CB-CE1 4.06Å; P71-F330 VanDerWaalsContact O-CE1 3.24Å; P71-F330 WeakPolarHBondContact O-CE1 3.3Å
72	F	94	Very high	89.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-44.6	177.5	177.7	-109.1	0	0	0	112.3	F28 I65 S69 Q70 A74 F75 L76 I103 E107 I111	F28-F72 HydrophobicContact CB-CB 3.81Å; F28-F72 HydrophobicContact CD1-CB 3.97Å; F28-F72 HydrophobicContact CD1-CD2 4Å; F28-F72 HydrophobicContact CD2-CB 4.38Å; F28-F72 AromaticContact CD2-CD2 3.67Å; F28-F72 HydrophobicContact CD2-CD2 3.67Å; F28-F72 HydrophobicContact CD2-CE2 4.49Å; F28-F72 HydrophobicContact CD2-CG 4.43Å; F28-F72 HydrophobicContact CE1-CD2 4.01Å; F28-F72 AromaticContact CE2-CD2 3.64Å; F28-F72 HydrophobicContact CE2-CD2 3.64Å; F28-F72 HydrophobicContact CE2-CE2 4.13Å; F28-F72 HydrophobicContact CG-CB 3.8Å; F28-F72 AromaticContact CG-CD2 3.85Å; F28-F72 HydrophobicContact CG-CD2 3.85Å; F28-F72 HydrophobicContact CG-CG 4.3Å; F28-F72 AromaticContact CZ-CD2 3.82Å; F28-F72 HydrophobicContact CZ-CD2 3.82Å; F28-F72 HydrophobicContact CZ-CE2 4.32Å; I65-F72 HydrophobicContact CD1-CB 4.35Å; I65-F72 HydrophobicContact CD1-CD1 3.59Å; I65-F72 HydrophobicContact CD1-CD2 3.75Å; I65-F72 HydrophobicContact CD1-CE1 3.74Å; I65-F72 HydrophobicContact CD1-CE2 3.9Å; I65-F72 HydrophobicContact CD1-CG 3.6Å; I65-F72 HydrophobicContact CD1-CZ 3.91Å; I65-F72 HydrophobicContact CG1-CB 4.35Å; I65-F72 HydrophobicContact CG1-CD1 4.46Å; I65-F72 HydrophobicContact CG1-CD2 4.13Å; I65-F72 HydrophobicContact CG1-CG 4.04Å; I65-F72 HydrophobicContact CG2-CB 4.04Å; I65-F72 HydrophobicContact CG2-CG 4.39Å; S69-F72 CarbonylContact O-C 3.41Å; S69-F72 WeakPolarHBondContact O-CA 3.38Å; S69-F72 WeakPolarHBondContact O-CB 3.46Å; S69-F72 PolarHBondContact O-N 3.39Å; Q70-F72 PolarHBondContact O-N 3.08Å; F72-A74 PolarHBondContact O-N 3.25Å; F72-F75 CarbonylContact O-C 3.51Å; F72-F75 WeakPolarHBondContact O-CB 3.43Å; F72-F75 PolarHBondContact O-N 2.91Å; F72-L76 HydrophobicContact CE1-CB 4.35Å; F72-L76 HydrophobicContact CE1-CD2 3.87Å; F72-L76 HydrophobicContact CE2-CB 4.45Å; F72-L76 HydrophobicContact CZ-CB 4.16Å; F72-L76 HydrophobicContact CZ-CD1 4.25Å; F72-L76 HydrophobicContact CZ-CD2 3.92Å; F72-L76 HydrophobicContact CZ-CG 4.34Å; F72-L76 WeakPolarHBondContact O-CB 3.34Å; F72-L76 PolarHBondContact O-N 3.07Å; F72-I103 HydrophobicContact CD1-CD1 4.5Å; F72-I103 HydrophobicContact CE1-CD1 3.99Å; F72-E107 HydrophobicContact CE1-CB 4.43Å; F72-I111 HydrophobicContact CE1-CD1 3.99Å; F72-I111 HydrophobicContact CE2-CD1 4.33Å; F72-I111 HydrophobicContact CZ-CD1 3.51Å; F72-I111 HydrophobicContact CZ-CG1 3.78Å
73	I	91.6	Very high	89.4	Confident	35 Å²	35	41.8 Å²	41.8	18%	0.179	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-44.6	178.7	-59.3	-45.3	0	0	0	111.2	S69 Q70 F75 L76 N77 E107	S69-I73 WeakPolarHBondContact O-CG1 3.32Å; S69-I73 PolarHBondContact O-N 3.35Å; S69-I73 WeakPolarHBondContact OG-CG1 3.39Å; Q70-I73 PolarHBondContact O-N 3.1Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.32Å; I73-L76 PolarHBondContact O-N 2.77Å; I73-N77 VanDerWaalsContact O-CB 3.3Å; I73-N77 WeakPolarHBondContact O-CB 3.24Å; I73-N77 PolarHBondContact O-N 2.91Å; I73-N77 PolarHBondContact O-ND2 3Å; I73-E107 HydrophobicContact CD1-CG 3.9Å; I73-E107 WeakPolarHBondContact CD1-OE1 3.45Å; I73-E107 WeakPolarHBondContact CD1-OE2 3.32Å
74	A	91.3	Very high	89.6	Confident	37 Å²	37	46.1 Å²	46.1	31%	0.306	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-45.5	175.4	0	0	0	0	0	110.9	Q70 P71 F72 R78 F333	Q70-A74 WeakPolarHBondContact O-CB 3.21Å; Q70-A74 PolarHBondContact O-N 3.01Å; P71-A74 PolarHBondContact O-N 3.17Å; F72-A74 PolarHBondContact O-N 3.25Å; A74-R78 PolarHBondContact O-N 3.42Å; A74-F333 HydrophobicContact CB-CD2 4.21Å; A74-F333 HydrophobicContact CB-CE2 4.2Å
75	F	94.4	Very high	89.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-50	177.7	-178.2	-92.5	0	0	0	112.1	F28 W52 L55 P71 F72 I73 N77 R78 L79 F89 F330 F333	F28-F75 HydrophobicContact CD1-CB 4.28Å; F28-F75 HydrophobicContact CD1-CG 4.5Å; F28-F75 HydrophobicContact CE1-CB 3.62Å; F28-F75 AromaticContact CE1-CD1 3.55Å; F28-F75 HydrophobicContact CE1-CD1 3.55Å; F28-F75 AromaticContact CE1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CD2 3.95Å; F28-F75 HydrophobicContact CE1-CE1 4.16Å; F28-F75 AromaticContact CE1-CG 3.43Å; F28-F75 HydrophobicContact CE1-CG 3.43Å; F28-F75 VanDerWaalsContact CE1-CG 3.43Å; F28-F75 HydrophobicContact CZ-CB 4.48Å; F28-F75 AromaticContact CZ-CD1 3.57Å; F28-F75 HydrophobicContact CZ-CD1 3.57Å; F28-F75 AromaticContact CZ-CE1 3.82Å; F28-F75 HydrophobicContact CZ-CE1 3.82Å; F28-F75 AromaticContact CZ-CG 3.96Å; F28-F75 HydrophobicContact CZ-CG 3.96Å; F28-F75 HydrophobicContact CZ-CZ 4.41Å; W52-F75 AromaticContact CH2-CD2 3.94Å; W52-F75 HydrophobicContact CH2-CD2 3.94Å; W52-F75 AromaticContact CH2-CE2 3.71Å; W52-F75 HydrophobicContact CH2-CE2 3.71Å; W52-F75 HydrophobicContact CH2-CZ 4.16Å; W52-F75 AromaticContact CZ3-CD2 3.75Å; W52-F75 HydrophobicContact CZ3-CD2 3.75Å; W52-F75 AromaticContact CZ3-CE2 3.54Å; W52-F75 HydrophobicContact CZ3-CE2 3.54Å; W52-F75 HydrophobicContact CZ3-CZ 4.38Å; L55-F75 HydrophobicContact CD2-CE2 3.75Å; L55-F75 HydrophobicContact CG-CE2 4.13Å; P71-F75 WeakPolarHBondContact O-CB 3.15Å; P71-F75 PolarHBondContact O-N 3.15Å; F72-F75 CarbonylContact O-C 3.51Å; F72-F75 WeakPolarHBondContact O-CB 3.43Å; F72-F75 PolarHBondContact O-N 2.91Å; I73-F75 VanDerWaalsContact C-N 3.3Å; I73-F75 PolarHBondContact O-N 3.32Å; F75-N77 PolarHBondContact O-N 3.2Å; F75-R78 PolarHBondContact O-N 3.21Å; F75-L79 HydrophobicContact CD1-CD2 4.49Å; F75-L79 HydrophobicContact CE1-CD2 3.8Å; F75-L79 HydrophobicContact CZ-CD2 4.49Å; F75-L79 WeakPolarHBondContact O-CB 3.47Å; F75-L79 PolarHBondContact O-N 3.05Å; F75-F89 HydrophobicContact CE1-CD1 4.02Å; F75-F89 HydrophobicContact CE1-CD2 4.39Å; F75-F89 AromaticContact CE1-CE1 3.6Å; F75-F89 HydrophobicContact CE1-CE1 3.6Å; F75-F89 HydrophobicContact CE1-CE2 4.01Å; F75-F89 HydrophobicContact CE1-CG 4.39Å; F75-F89 AromaticContact CE1-CZ 3.58Å; F75-F89 HydrophobicContact CE1-CZ 3.58Å; F75-F89 HydrophobicContact CZ-CD1 4.42Å; F75-F89 AromaticContact CZ-CD2 3.98Å; F75-F89 HydrophobicContact CZ-CD2 3.98Å; F75-F89 HydrophobicContact CZ-CE1 4.04Å; F75-F89 AromaticContact CZ-CE2 3.54Å; F75-F89 HydrophobicContact CZ-CE2 3.54Å; F75-F89 HydrophobicContact CZ-CG 4.39Å; F75-F89 AromaticContact CZ-CZ 3.56Å; F75-F89 HydrophobicContact CZ-CZ 3.56Å; F75-F330 HydrophobicContact CB-CD1 4.37Å; F75-F330 HydrophobicContact CB-CE1 3.93Å; F75-F330 HydrophobicContact CB-CZ 4.34Å; F75-F330 HydrophobicContact CD2-CE1 4.46Å; F75-F330 HydrophobicContact CD2-CE2 4.42Å; F75-F330 HydrophobicContact CD2-CZ 4.34Å; F75-F333 HydrophobicContact CD2-CZ 4.41Å
76	L	94.6	Very high	89.9	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-40.9	-178.8	-174.6	65.7	0	0	0	111.4	F72 I73 R78 L79 S80 L86 F90 E107 T110	F72-L76 HydrophobicContact CE1-CB 4.35Å; F72-L76 HydrophobicContact CE1-CD2 3.87Å; F72-L76 HydrophobicContact CE2-CB 4.45Å; F72-L76 HydrophobicContact CZ-CB 4.16Å; F72-L76 HydrophobicContact CZ-CD1 4.25Å; F72-L76 HydrophobicContact CZ-CD2 3.92Å; F72-L76 HydrophobicContact CZ-CG 4.34Å; F72-L76 WeakPolarHBondContact O-CB 3.34Å; F72-L76 PolarHBondContact O-N 3.07Å; I73-L76 PolarHBondContact O-N 2.77Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 3.29Å; L76-L79 PolarHBondContact O-N 2.74Å; L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.31Å; L76-S80 PolarHBondContact O-N 3.03Å; L76-S80 PolarHBondContact O-OG 3.34Å; L76-L86 HydrophobicContact CD1-CD2 3.93Å; L76-F90 HydrophobicContact CD1-CE2 4.1Å; L76-F90 HydrophobicContact CD1-CZ 4.14Å; L76-E107 HydrophobicContact CD2-CB 3.93Å; L76-E107 HydrophobicContact CD2-CG 3.93Å; L76-T110 HydrophobicContact CD1-CG2 4.04Å
77	N	92.9	Very high	90.2	Very high	108 Å²	108	52.8 Å²	52.8	58%	0.578	29%	0.294	S	S	*	.	H	α-helix	trans	-60.9	-41.1	175.8	-76	-23.2	0	0	0	111.8	I73 F75	I73-N77 VanDerWaalsContact O-CB 3.3Å; I73-N77 WeakPolarHBondContact O-CB 3.24Å; I73-N77 PolarHBondContact O-N 2.91Å; I73-N77 PolarHBondContact O-ND2 3Å; F75-N77 PolarHBondContact O-N 3.2Å
78	R	92.8	Very high	90.6	Very high	64 Å²	64	55.4 Å²	55.4	24%	0.242	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-42.8	176.4	-173.3	177.7	176.5	163.3	-1.3	111.6	S5 W52 A74 F75 L76 S80 A81 F333	S5-R78 VanDerWaalsContact OG-CZ 3.25Å; S5-R78 PolarHBondContact OG-NH1 3.29Å; S5-R78 PolarHBondContact OG-NH2 3.28Å; W52-R78 HydrophobicContact CD2-CG 4.46Å; W52-R78 HydrophobicContact CH2-CB 3.98Å; W52-R78 HydrophobicContact CH2-CG 3.82Å; W52-R78 HydrophobicContact CZ2-CB 4.19Å; W52-R78 HydrophobicContact CZ2-CG 3.69Å; W52-R78 HydrophobicContact CZ3-CG 4.27Å; A74-R78 PolarHBondContact O-N 3.42Å; F75-R78 PolarHBondContact O-N 3.21Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 3.29Å; R78-S80 VanDerWaalsContact C-N 3.31Å; R78-S80 PolarHBondContact O-N 2.9Å; R78-A81 WeakPolarHBondContact O-CB 3.41Å; R78-A81 PolarHBondContact O-N 3.15Å; R78-F333 HydrophobicContact CB-CE2 4.18Å; R78-F333 HydrophobicContact CB-CZ 4.06Å; R78-F333 HydrophobicContact CG-CZ 4.33Å; R78-F333 VanDerWaalsContact NH1-CE1 3.26Å
79	L	93.8	Very high	91.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-39.2	177.6	-166.3	67.3	0	0	0	111.6	W52 V56 F75 L76 A81 S82 D85 L86 F89 F90	W52-L79 HydrophobicContact CH2-CB 4.3Å; W52-L79 HydrophobicContact CH2-CD1 4.32Å; W52-L79 HydrophobicContact CZ2-CB 4.24Å; W52-L79 HydrophobicContact CZ2-CD1 3.91Å; V56-L79 HydrophobicContact CG1-CD1 4.19Å; V56-L79 HydrophobicContact CG2-CD1 3.77Å; F75-L79 HydrophobicContact CD1-CD2 4.49Å; F75-L79 HydrophobicContact CE1-CD2 3.8Å; F75-L79 HydrophobicContact CZ-CD2 4.49Å; F75-L79 WeakPolarHBondContact O-CB 3.47Å; F75-L79 PolarHBondContact O-N 3.05Å; L76-L79 PolarHBondContact O-N 2.74Å; L79-A81 PolarHBondContact O-N 3.07Å; L79-A81 VanDerWaalsContact O-N 3.09Å; L79-S82 PolarHBondContact O-N 3.32Å; L79-S82 VanDerWaalsContact O-O 3.08Å; L79-D85 HydrophobicContact CD1-CB 3.66Å; L79-D85 HydrophobicContact CG-CB 4.48Å; L79-L86 HydrophobicContact CB-CD2 4.15Å; L79-L86 HydrophobicContact CD2-CD2 3.68Å; L79-L86 HydrophobicContact CD2-CG 4.48Å; L79-L86 HydrophobicContact CG-CD2 3.7Å; L79-L86 HydrophobicContact CG-CG 4.1Å; L79-F89 HydrophobicContact CD1-CB 4.17Å; L79-F89 HydrophobicContact CD2-CB 3.85Å; L79-F89 HydrophobicContact CD2-CD1 3.79Å; L79-F89 HydrophobicContact CD2-CG 3.93Å; L79-F90 HydrophobicContact CD2-CD2 4.37Å; L79-F90 HydrophobicContact CD2-CE2 3.77Å; L79-F90 HydrophobicContact CD2-CZ 4.34Å
80	S	91.6	Very high	92.5	Very high	57 Å²	57	48.1 Å²	48.1	40%	0.399	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.4	180	-58	0	0	0	0	114.4	L76 R78 S82	L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.31Å; L76-S80 PolarHBondContact O-N 3.03Å; L76-S80 PolarHBondContact O-OG 3.34Å; R78-S80 VanDerWaalsContact C-N 3.31Å; R78-S80 PolarHBondContact O-N 2.9Å; S80-S82 PolarHBondContact O-N 3.24Å
81	A	89.1	Confident	92.9	Very high	93 Å²	93	44.4 Å²	44.4	77%	0.769	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.5	169.1	0	0	0	0	0	112.8	R78 L79	R78-A81 WeakPolarHBondContact O-CB 3.41Å; R78-A81 PolarHBondContact O-N 3.15Å; L79-A81 PolarHBondContact O-N 3.07Å; L79-A81 VanDerWaalsContact O-N 3.09Å
82	S	91.6	Very high	92.9	Very high	33 Å²	33	48.2 Å²	48.2	23%	0.231	28%	0.275	C	S	.	.			trans	-141.9	107.7	179.3	175.4	0	0	0	0	110	L79 S80 P84 D85 L86	L79-S82 PolarHBondContact O-N 3.32Å; L79-S82 VanDerWaalsContact O-O 3.08Å; S80-S82 PolarHBondContact O-N 3.24Å; S82-P84 VanDerWaalsContact C-CD 3.48Å; S82-P84 VanDerWaalsContact C-N 3.31Å; S82-P84 WeakPolarHBondContact OG-CD 3.47Å; S82-D85 WeakPolarHBondContact CB-OD1 3.3Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 3.19Å; S82-D85 PolarHBondContact OG-N 2.89Å; S82-D85 PolarHBondContact OG-OD1 3.45Å; S82-L86 PolarHBondContact O-N 2.91Å
83	E	92.9	Very high	92.7	Very high	105 Å²	105	48.3 Å²	48.3	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-56.6	-38.7	172.7	-169.8	-167.9	143.6	0	0	113	D85 L86 K87 F114	E83-D85 VanDerWaalsContact C-N 3.28Å; E83-D85 PolarHBondContact O-N 3.43Å; E83-L86 WeakPolarHBondContact O-CB 3.2Å; E83-L86 PolarHBondContact O-N 3.49Å; E83-K87 HydrophobicContact CG-CD 4.39Å; E83-K87 WeakPolarHBondContact O-CB 3.4Å; E83-K87 WeakPolarHBondContact O-CG 3.34Å; E83-K87 PolarHBondContact O-N 2.75Å; E83-K87 WeakPolarHBondContact OE1-CE 3.38Å; E83-K87 IonicContact OE1-NZ 2.64Å; E83-K87 PolarHBondContact OE1-NZ 3.12Å; E83-F114 HydrophobicContact CG-CE1 3.89Å; E83-F114 HydrophobicContact CG-CZ 3.97Å
84	P	94.8	Very high	92.5	Very high	91 Å²	91	47.5 Å²	47.5	59%	0.591	27%	0.273	S	S	*	.	H	α-helix	trans	-56.3	-39	170	-27.4	35.6	0	0	0	113.8	S82 K87 L88	S82-P84 VanDerWaalsContact C-CD 3.48Å; S82-P84 VanDerWaalsContact C-N 3.31Å; S82-P84 WeakPolarHBondContact OG-CD 3.47Å; P84-K87 PolarHBondContact O-N 3.18Å; P84-L88 VanDerWaalsContact O-CB 3.32Å; P84-L88 WeakPolarHBondContact O-CB 3.23Å; P84-L88 PolarHBondContact O-N 3.41Å
85	D	94.7	Very high	92.3	Very high	44 Å²	44	45.8 Å²	45.8	24%	0.235	26%	0.259	C	S	.	.	H	α-helix	trans	-70	-41.1	179.2	-64.7	18.1	0	0	0	110.6	V56 L79 S82 E83 L88 F89	V56-D85 HydrophobicContact CG1-CB 3.65Å; V56-D85 HydrophobicContact CG2-CB 4.32Å; L79-D85 HydrophobicContact CD1-CB 3.66Å; L79-D85 HydrophobicContact CG-CB 4.48Å; S82-D85 WeakPolarHBondContact CB-OD1 3.3Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 3.19Å; S82-D85 PolarHBondContact OG-N 2.89Å; S82-D85 PolarHBondContact OG-OD1 3.45Å; E83-D85 VanDerWaalsContact C-N 3.28Å; E83-D85 PolarHBondContact O-N 3.43Å; D85-L88 PolarHBondContact O-N 2.99Å; D85-F89 WeakPolarHBondContact O-CB 3.49Å; D85-F89 PolarHBondContact O-N 3.46Å
86	L	94.7	Very high	92	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-56.5	-52.3	172.2	-77.4	170.3	0	0	0	111	L76 L79 S82 E83 L88 F89 F90 T110 F114	L76-L86 HydrophobicContact CD1-CD2 3.93Å; L79-L86 HydrophobicContact CB-CD2 4.15Å; L79-L86 HydrophobicContact CD2-CD2 3.68Å; L79-L86 HydrophobicContact CD2-CG 4.48Å; L79-L86 HydrophobicContact CG-CD2 3.7Å; L79-L86 HydrophobicContact CG-CG 4.1Å; S82-L86 PolarHBondContact O-N 2.91Å; E83-L86 WeakPolarHBondContact O-CB 3.2Å; E83-L86 PolarHBondContact O-N 3.49Å; L86-L88 VanDerWaalsContact C-N 3.3Å; L86-L88 PolarHBondContact O-N 2.98Å; L86-F89 PolarHBondContact O-N 3.1Å; L86-F90 HydrophobicContact CD2-CD2 4.23Å; L86-F90 HydrophobicContact CD2-CE2 3.76Å; L86-F90 VanDerWaalsContact O-CD2 3.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.36Å; L86-F90 PolarHBondContact O-N 2.66Å; L86-T110 HydrophobicContact CD2-CG2 4.19Å; L86-F114 HydrophobicContact CB-CD1 4.26Å; L86-F114 HydrophobicContact CB-CD2 4.13Å; L86-F114 HydrophobicContact CB-CE1 4.35Å; L86-F114 HydrophobicContact CB-CE2 4.27Å; L86-F114 HydrophobicContact CB-CG 4.15Å; L86-F114 HydrophobicContact CB-CZ 4.37Å; L86-F114 HydrophobicContact CD1-CD2 4.3Å; L86-F114 HydrophobicContact CD1-CE2 3.81Å; L86-F114 HydrophobicContact CD1-CZ 4.11Å
87	K	95	Very high	91.8	Very high	109 Å²	109	45.5 Å²	45.5	47%	0.474	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-43.9	178.7	-79.6	173	166.7	164.1	0	111.7	E83 P84 S91 F114	E83-K87 HydrophobicContact CG-CD 4.39Å; E83-K87 WeakPolarHBondContact O-CB 3.4Å; E83-K87 WeakPolarHBondContact O-CG 3.34Å; E83-K87 PolarHBondContact O-N 2.75Å; E83-K87 WeakPolarHBondContact OE1-CE 3.38Å; E83-K87 IonicContact OE1-NZ 2.64Å; E83-K87 PolarHBondContact OE1-NZ 3.12Å; P84-K87 PolarHBondContact O-N 3.18Å; K87-S91 WeakPolarHBondContact O-CA 3Å; K87-S91 VanDerWaalsContact O-CB 3.23Å; K87-S91 WeakPolarHBondContact O-CB 3.23Å; K87-S91 PolarHBondContact O-N 2.98Å; K87-S91 VanDerWaalsContact O-N 3.12Å; K87-F114 HydrophobicContact CB-CD1 4.43Å; K87-F114 HydrophobicContact CD-CE1 4.42Å; K87-F114 HydrophobicContact CG-CD1 3.52Å; K87-F114 HydrophobicContact CG-CE1 3.66Å
88	L	93.9	Very high	91.6	Very high	79 Å²	79	40.4 Å²	40.4	41%	0.414	23%	0.23	S	C	.	.	H	α-helix	trans	-65.9	-53.4	-179.4	-179.6	56.3	0	0	0	111	V56 S59 P84 D85 L86 F90 S91	V56-L88 HydrophobicContact CG1-CB 4.3Å; V56-L88 HydrophobicContact CG1-CD2 4.09Å; V56-L88 HydrophobicContact CG1-CG 4.35Å; S59-L88 PolarHBondContact OG-O 3.12Å; S59-L88 VanDerWaalsContact OG-O 3.13Å; P84-L88 VanDerWaalsContact O-CB 3.32Å; P84-L88 WeakPolarHBondContact O-CB 3.23Å; P84-L88 PolarHBondContact O-N 3.41Å; D85-L88 PolarHBondContact O-N 2.99Å; L86-L88 VanDerWaalsContact C-N 3.3Å; L86-L88 PolarHBondContact O-N 2.98Å; L88-F90 PolarHBondContact O-N 2.93Å; L88-S91 WeakPolarHBondContact O-CB 2.94Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 PolarHBondContact O-OG 3Å
89	F	94	Very high	91.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-41.7	-175.7	-175.4	-97.9	0	0	0	112.5	F26 F28 V56 S59 P60 I63 F75 L79 D85 L86	F26-F89 HydrophobicContact CD1-CZ 4.15Å; F26-F89 HydrophobicContact CG-CZ 4.2Å; F28-F89 HydrophobicContact CZ-CZ 4.27Å; V56-F89 HydrophobicContact CG1-CB 4.45Å; S59-F89 WeakPolarHBondContact CA-O 3.34Å; P60-F89 WeakPolarHBondContact CD-O 3.29Å; P60-F89 HydrophobicContact CG-CD2 4.45Å; P60-F89 HydrophobicContact CG-CE1 3.9Å; P60-F89 HydrophobicContact CG-CE2 3.83Å; P60-F89 HydrophobicContact CG-CZ 3.52Å; I63-F89 HydrophobicContact CD1-CE1 3.84Å; F75-F89 HydrophobicContact CE1-CD1 4.02Å; F75-F89 HydrophobicContact CE1-CD2 4.39Å; F75-F89 AromaticContact CE1-CE1 3.6Å; F75-F89 HydrophobicContact CE1-CE1 3.6Å; F75-F89 HydrophobicContact CE1-CE2 4.01Å; F75-F89 HydrophobicContact CE1-CG 4.39Å; F75-F89 AromaticContact CE1-CZ 3.58Å; F75-F89 HydrophobicContact CE1-CZ 3.58Å; F75-F89 HydrophobicContact CZ-CD1 4.42Å; F75-F89 AromaticContact CZ-CD2 3.98Å; F75-F89 HydrophobicContact CZ-CD2 3.98Å; F75-F89 HydrophobicContact CZ-CE1 4.04Å; F75-F89 AromaticContact CZ-CE2 3.54Å; F75-F89 HydrophobicContact CZ-CE2 3.54Å; F75-F89 HydrophobicContact CZ-CG 4.39Å; F75-F89 AromaticContact CZ-CZ 3.56Å; F75-F89 HydrophobicContact CZ-CZ 3.56Å; L79-F89 HydrophobicContact CD1-CB 4.17Å; L79-F89 HydrophobicContact CD2-CB 3.85Å; L79-F89 HydrophobicContact CD2-CD1 3.79Å; L79-F89 HydrophobicContact CD2-CG 3.93Å; D85-F89 WeakPolarHBondContact O-CB 3.49Å; D85-F89 PolarHBondContact O-N 3.46Å; L86-F89 PolarHBondContact O-N 3.1Å
90	F	94.1	Very high	90.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-88.2	-1.7	-179	-67.9	-65.8	0	0	0	114.1	I63 L76 L79 L86 L88 Q92 T93 I111 F114	I63-F90 HydrophobicContact CD1-CD1 3.51Å; I63-F90 HydrophobicContact CD1-CE1 3.3Å; L76-F90 HydrophobicContact CD1-CE2 4.1Å; L76-F90 HydrophobicContact CD1-CZ 4.14Å; L79-F90 HydrophobicContact CD2-CD2 4.37Å; L79-F90 HydrophobicContact CD2-CE2 3.77Å; L79-F90 HydrophobicContact CD2-CZ 4.34Å; L86-F90 HydrophobicContact CD2-CD2 4.23Å; L86-F90 HydrophobicContact CD2-CE2 3.76Å; L86-F90 VanDerWaalsContact O-CD2 3.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.36Å; L86-F90 PolarHBondContact O-N 2.66Å; L88-F90 PolarHBondContact O-N 2.93Å; F90-Q92 PolarHBondContact O-N 3.35Å; F90-Q92 VanDerWaalsContact O-N 3.1Å; F90-T93 WeakPolarHBondContact O-CB 3.47Å; F90-T93 PolarHBondContact O-N 2.89Å; F90-T93 VanDerWaalsContact O-N 3.08Å; F90-I111 HydrophobicContact CD1-CG2 4.1Å; F90-I111 HydrophobicContact CE1-CB 4.27Å; F90-I111 HydrophobicContact CE1-CG1 3.97Å; F90-I111 HydrophobicContact CE1-CG2 3.89Å; F90-I111 HydrophobicContact CZ-CG1 4Å; F90-F114 CarbonylContact C-O 3.6Å; F90-F114 HydrophobicContact CB-CB 3.72Å; F90-F114 WeakPolarHBondContact CB-O 3.36Å; F90-F114 HydrophobicContact CD2-CB 3.81Å; F90-F114 HydrophobicContact CG-CB 4.1Å
91	S	90.7	Very high	90.6	Very high	55 Å²	55	38.7 Å²	38.7	39%	0.385	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31	-171.8	59.8	0	0	0	0	115	K87 L88	K87-S91 WeakPolarHBondContact O-CA 3Å; K87-S91 VanDerWaalsContact O-CB 3.23Å; K87-S91 WeakPolarHBondContact O-CB 3.23Å; K87-S91 PolarHBondContact O-N 2.98Å; K87-S91 VanDerWaalsContact O-N 3.12Å; L88-S91 WeakPolarHBondContact O-CB 2.94Å; L88-S91 PolarHBondContact O-N 3.04Å; L88-S91 PolarHBondContact O-OG 3Å
92	Q	88.6	Confident	90.4	Very high	86 Å²	86	38.2 Å²	38.2	40%	0.402	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-2.3	-178.9	-55.2	-172.3	19	0	0	113.1	N23 S59 N61 F90 C94	N23-Q92 PolarHBondContact ND2-OE1 3.25Å; S59-Q92 WeakPolarHBondContact O-CB 2.97Å; N61-Q92 WeakPolarHBondContact CA-O 3.44Å; N61-Q92 PolarHBondContact OD1-OE1 3.03Å; F90-Q92 PolarHBondContact O-N 3.35Å; F90-Q92 VanDerWaalsContact O-N 3.1Å; Q92-C94 PolarHBondContact O-N 2.88Å
93	T	89.8	Confident	90.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.198	C	C	.	.			trans	-64.2	113.7	-176.1	-59.1	0	0	0	0	110	P60 I63 F90 G117 L118	P60-T93 VanDerWaalsContact O-CA 3.3Å; P60-T93 WeakPolarHBondContact O-CA 3.25Å; P60-T93 PolarHBondContact O-N 3.06Å; P60-T93 PolarHBondContact O-OG1 2.85Å; I63-T93 HydrophobicContact CD1-CG2 3.89Å; I63-T93 HydrophobicContact CG1-CG2 4.1Å; F90-T93 WeakPolarHBondContact O-CB 3.47Å; F90-T93 PolarHBondContact O-N 2.89Å; F90-T93 VanDerWaalsContact O-N 3.08Å; T93-G117 CarbonylContact O-C 3.54Å; T93-L118 PolarHBondContact O-N 2.94Å
94	C	86.9	Confident	89.9	Confident	19 Å²	19	38.2 Å²	38.2	13%	0.128	20%	0.203	C	C	.	.			trans	-115.8	-17.3	177.7	65.6	0	0	0	0	112.6	N61 Q92 G117 S119 I120	N61-C94 PolarHBondContact O-N 3.26Å; N61-C94 PolarHBondContact O-SG 3.26Å; Q92-C94 PolarHBondContact O-N 2.88Å; C94-G117 WeakPolarHBondContact CA-O 3.24Å; C94-S119 PolarHBondContact O-N 2.85Å; C94-I120 PolarHBondContact O-N 3.4Å
95	Y	87	Confident	89.4	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.4	-178.6	178.7	-82.6	0	0	0	111.1	I21 N61 S62 I63 E64 A97 I120 E122 L309 R310	I21-Y95 HydrophobicContact CD1-CD2 4.48Å; N61-Y95 PolarHBondContact O-N 3.32Å; S62-Y95 WeakPolarHBondContact CA-O 3.43Å; S62-Y95 WeakPolarHBondContact OG-CD1 3.02Å; I63-Y95 PolarHBondContact N-O 3.04Å; E64-Y95 HydrophobicContact CG-CE1 4.47Å; Y95-A97 HydrophobicContact CD1-CB 4.44Å; Y95-A97 HydrophobicContact CE1-CB 3.45Å; Y95-A97 VanDerWaalsContact CE1-CB 3.45Å; Y95-I120 WeakPolarHBondContact CA-O 2.9Å; Y95-I120 HydrophobicContact CD2-CB 3.79Å; Y95-I120 HydrophobicContact CD2-CD1 4.48Å; Y95-I120 HydrophobicContact CD2-CG2 3.34Å; Y95-I120 HydrophobicContact CE2-CG2 3.69Å; Y95-I120 HydrophobicContact CG-CB 4.49Å; Y95-I120 HydrophobicContact CG-CG2 4.42Å; Y95-E122 PolarHBondContact OH-OE2 3.44Å; Y95-L309 HydrophobicContact CE2-CB 3.78Å; Y95-R310 HydrophobicContact CE2-CG 4.18Å
96	L	89.6	Confident	89.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.2	171.4	-179.1	62.4	0	0	0	110.1	I63 I65 L98 L108 I111 L118 I120 M121 E122	I63-L96 HydrophobicContact CB-CD1 3.91Å; I63-L96 HydrophobicContact CG2-CD1 3.7Å; I63-L96 CarbonylContact O-C 3.53Å; I63-L96 WeakPolarHBondContact O-CA 3.03Å; I65-L96 HydrophobicContact CD1-CD1 4.36Å; L96-L98 HydrophobicContact CD1-CD2 3.95Å; L96-L98 HydrophobicContact CD2-CD2 4.23Å; L96-L98 HydrophobicContact CD2-CG 4.42Å; L96-L98 HydrophobicContact CG-CD2 4.01Å; L96-L98 HydrophobicContact CG-CG 4.22Å; L96-L108 HydrophobicContact CD2-CD1 3.5Å; L96-L108 VanDerWaalsContact CD2-CD1 3.5Å; L96-I111 HydrophobicContact CD1-CD1 4.24Å; L96-I111 HydrophobicContact CD2-CD1 4.09Å; L96-I111 HydrophobicContact CD2-CG2 4.08Å; L96-L118 HydrophobicContact CB-CD1 3.74Å; L96-I120 PolarHBondContact N-O 3.12Å; L96-M121 HydrophobicContact CD2-CE 4.11Å; L96-M121 CarbonylContact O-C 3.22Å; L96-M121 VanDerWaalsContact O-CA 3.24Å; L96-M121 WeakPolarHBondContact O-CA 3.09Å; L96-E122 PolarHBondContact O-N 3.43Å
97	A	88.7	Confident	88.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.6	171.3	0	0	0	0	0	111.8	I63 E64 I65 Y95 Y99 E122	I63-A97 PolarHBondContact O-N 2.83Å; E64-A97 CarbonylContact C-O 3.56Å; E64-A97 VanDerWaalsContact CA-O 3.32Å; E64-A97 WeakPolarHBondContact CA-O 3.48Å; E64-A97 HydrophobicContact CG-CB 4.27Å; I65-A97 PolarHBondContact N-O 2.86Å; Y95-A97 HydrophobicContact CD1-CB 4.44Å; Y95-A97 HydrophobicContact CE1-CB 3.45Å; Y95-A97 VanDerWaalsContact CE1-CB 3.45Å; A97-Y99 HydrophobicContact CB-CD2 4.23Å; A97-Y99 HydrophobicContact CB-CE2 3.34Å; A97-Y99 WeakPolarHBondContact CB-OH 3.36Å; A97-E122 WeakPolarHBondContact CA-O 3.36Å; A97-E122 HydrophobicContact CB-CB 3.81Å; A97-E122 HydrophobicContact CB-CG 4.34Å
98	L	89.6	Confident	88.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.1	-178.9	-58.4	-176.5	0	0	0	108	I65 L96 I103 L108 E122 L123 I124 C126 L130	I65-L98 HydrophobicContact CB-CD2 3.97Å; I65-L98 HydrophobicContact CD1-CD2 3.73Å; I65-L98 HydrophobicContact CG1-CD2 4.16Å; L96-L98 HydrophobicContact CD1-CD2 3.95Å; L96-L98 HydrophobicContact CD2-CD2 4.23Å; L96-L98 HydrophobicContact CD2-CG 4.42Å; L96-L98 HydrophobicContact CG-CD2 4.01Å; L96-L98 HydrophobicContact CG-CG 4.22Å; L98-I103 HydrophobicContact CD1-CG2 3.93Å; L98-I103 HydrophobicContact CD2-CD1 4.29Å; L98-L108 HydrophobicContact CD1-CD1 4.39Å; L98-E122 PolarHBondContact N-O 3.43Å; L98-L123 HydrophobicContact CB-CD2 4.13Å; L98-L123 HydrophobicContact CD1-CD2 3.64Å; L98-L123 HydrophobicContact CG-CD2 4.14Å; L98-I124 PolarHBondContact O-N 2.86Å; L98-C126 WeakPolarHBondContact CB-SG 3.43Å; L98-C126 PolarHBondContact O-SG 3.01Å; L98-L130 HydrophobicContact CD1-CD1 4.19Å
99	Y	87.7	Confident	88.3	Confident	20 Å²	20	32.3 Å²	32.3	8%	0.078	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	102.9	-175.1	-56.6	-91.2	0	0	0	110.4	F37 E64 I65 H66 G67 A97 C101 E122 I124	F37-Y99 HydrophobicContact CE2-CE1 4.4Å; F37-Y99 HydrophobicContact CZ-CE1 4.33Å; E64-Y99 HydrophobicContact CB-CE2 4.04Å; E64-Y99 HydrophobicContact CG-CE2 4.22Å; I65-Y99 PolarHBondContact O-N 2.85Å; H66-Y99 CarbonylContact C-O 3.59Å; H66-Y99 WeakPolarHBondContact CA-O 3.48Å; H66-Y99 AromaticContact CD2-CD2 3.86Å; H66-Y99 AromaticContact CE1-CD2 3.09Å; H66-Y99 WeakPolarHBondContact CE1-CD2 3.37Å; H66-Y99 AromaticContact CE1-CE2 3.32Å; H66-Y99 WeakPolarHBondContact CE1-CE2 3.18Å; H66-Y99 AromaticContact CE1-CG 3.51Å; H66-Y99 AromaticContact CE1-CZ 3.95Å; H66-Y99 AromaticContact CG-CD2 3.83Å; H66-Y99 AromaticContact ND1-CD2 3.36Å; H66-Y99 WeakPolarHBondContact ND1-CD2 3.46Å; H66-Y99 AromaticContact ND1-CG 3.45Å; H66-Y99 AromaticContact NE2-CD2 3.45Å; H66-Y99 WeakPolarHBondContact NE2-CD2 3.48Å; H66-Y99 AromaticContact NE2-CE2 3.52Å; G67-Y99 PolarHBondContact N-O 3.29Å; A97-Y99 HydrophobicContact CB-CD2 4.23Å; A97-Y99 HydrophobicContact CB-CE2 3.34Å; A97-Y99 WeakPolarHBondContact CB-OH 3.36Å; Y99-C101 PolarHBondContact O-N 2.91Å; Y99-C101 VanDerWaalsContact O-N 3.14Å; Y99-E122 VanDerWaalsContact CE1-OE1 3.25Å; Y99-E122 WeakPolarHBondContact CE1-OE1 2.92Å; Y99-E122 PolarHBondContact OH-OE1 2.83Å; Y99-I124 HydrophobicContact CD1-CB 4.22Å; Y99-I124 HydrophobicContact CD1-CD1 3.37Å; Y99-I124 HydrophobicContact CD1-CG1 4.37Å; Y99-I124 HydrophobicContact CE1-CD1 3.29Å
100	S	84.8	Confident	88.2	Confident	60 Å²	60	33.8 Å²	33.8	42%	0.42	19%	0.186	S	C	.	.	S	Bend	trans	48.7	43.1	176.8	-30.1	0	0	0	0	112.4	G67 I124 D125	G67-S100 CarbonylContact C-O 3.56Å; G67-S100 WeakPolarHBondContact CA-O 3.38Å; S100-I124 PolarHBondContact N-O 3.45Å; S100-D125 WeakPolarHBondContact CA-O 3.35Å; S100-D125 WeakPolarHBondContact OG-CB 3.36Å; S100-D125 PolarHBondContact OG-OD2 2.81Å
101	C	85.1	Confident	88.1	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.034	19%	0.186	C	C	.	.			trans	-104.7	148.3	-172.2	79.6	0	0	0	0	112.7	I65 G67 Y99 I103 P127	I65-C101 HydrophobicContact CG2-CB 3.98Å; G67-C101 WeakPolarHBondContact O-CA 3.39Å; G67-C101 WeakPolarHBondContact O-CB 3.36Å; Y99-C101 PolarHBondContact O-N 2.91Å; Y99-C101 VanDerWaalsContact O-N 3.14Å; C101-I103 VanDerWaalsContact C-N 3.26Å; C101-I103 PolarHBondContact O-N 3.46Å; C101-I103 VanDerWaalsContact SG-CG2 3.55Å; C101-P127 WeakPolarHBondContact O-CD 3.36Å
102	D	84.2	Confident	88	Confident	83 Å²	83	33.3 Å²	33.3	44%	0.444	18%	0.178	S	C	.	.			trans	-93.5	31.8	177.9	61	-13.3	0	0	0	112.2	K68 S69 K104	K68-D102 WeakPolarHBondContact CA-OD1 3.2Å; S69-D102 VanDerWaalsContact CB-OD1 3.26Å; S69-D102 WeakPolarHBondContact CB-OD1 3.48Å; S69-D102 PolarHBondContact N-OD1 2.86Å; S69-D102 PolarHBondContact OG-OD1 3.24Å; D102-K104 PolarHBondContact O-N 3.24Å
103	I	87.6	Confident	88.1	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.19	C	C	.	.			trans	-59.4	133.5	177.9	-165.1	172.6	0	0	0	109.9	I65 F72 L98 C101 E107 L108 I111 F129 L130	I65-I103 HydrophobicContact CD1-CD1 4.04Å; F72-I103 HydrophobicContact CD1-CD1 4.5Å; F72-I103 HydrophobicContact CE1-CD1 3.99Å; L98-I103 HydrophobicContact CD1-CG2 3.93Å; L98-I103 HydrophobicContact CD2-CD1 4.29Å; C101-I103 VanDerWaalsContact C-N 3.26Å; C101-I103 PolarHBondContact O-N 3.46Å; C101-I103 VanDerWaalsContact SG-CG2 3.55Å; I103-E107 HydrophobicContact CD1-CB 4.18Å; I103-E107 HydrophobicContact CG1-CB 3.68Å; I103-L108 HydrophobicContact CD1-CB 4.26Å; I103-I111 HydrophobicContact CD1-CD1 3.82Å; I103-F129 WeakPolarHBondContact O-CZ 3.48Å; I103-L130 HydrophobicContact CG2-CD1 4.38Å
104	K	86.8	Confident	88.2	Confident	137 Å²	137	37.1 Å²	37.1	60%	0.596	20%	0.198	S	C	*	.			trans	-87	159.8	177.6	-58.7	178.7	-172.5	163.4	0	110.8	D102 A106 E107 L108	D102-K104 PolarHBondContact O-N 3.24Å; K104-A106 VanDerWaalsContact C-N 3.3Å; K104-A106 PolarHBondContact O-N 2.85Å; K104-E107 HydrophobicContact CB-CG 4.4Å; K104-E107 WeakPolarHBondContact CB-OE2 3.3Å; K104-E107 WeakPolarHBondContact CD-OE1 3.32Å; K104-E107 PolarHBondContact N-OE2 2.87Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 2.85Å; K104-L108 PolarHBondContact O-N 3.41Å
105	W	83.8	Confident	88.5	Confident	81 Å²	81	36.3 Å²	36.3	31%	0.307	19%	0.193	S	C	.	.	H	α-helix	trans	-53.7	-46.1	177.4	-177.2	-119.4	0	0	0	113	E107 L108 V109 F129 L130 E133 L134	W105-E107 VanDerWaalsContact C-N 3.25Å; W105-E107 PolarHBondContact O-N 3.06Å; W105-L108 HydrophobicContact CE3-CD2 4.47Å; W105-L108 HydrophobicContact CZ3-CD2 4.14Å; W105-L108 PolarHBondContact O-N 3.02Å; W105-V109 HydrophobicContact CD2-CG2 3.81Å; W105-V109 HydrophobicContact CE3-CG2 4.43Å; W105-V109 HydrophobicContact CG-CG2 4.22Å; W105-V109 HydrophobicContact CH2-CG2 4.2Å; W105-V109 HydrophobicContact CZ2-CG2 3.53Å; W105-V109 WeakPolarHBondContact O-CB 3.41Å; W105-V109 VanDerWaalsContact O-CG2 3.26Å; W105-V109 WeakPolarHBondContact O-CG2 3.2Å; W105-V109 PolarHBondContact O-N 3.21Å; W105-F129 HydrophobicContact CB-CD2 4.15Å; W105-F129 HydrophobicContact CB-CE2 3.77Å; W105-L130 HydrophobicContact CE3-CD2 4.04Å; W105-L130 HydrophobicContact CZ3-CD2 4.43Å; W105-E133 HydrophobicContact CD2-CB 4.33Å; W105-E133 HydrophobicContact CE3-CB 4.32Å; W105-E133 HydrophobicContact CH2-CB 3.43Å; W105-E133 VanDerWaalsContact CH2-CB 3.43Å; W105-E133 HydrophobicContact CZ2-CB 3.42Å; W105-E133 VanDerWaalsContact CZ2-CB 3.42Å; W105-E133 HydrophobicContact CZ2-CG 4.43Å; W105-E133 HydrophobicContact CZ3-CB 3.89Å; W105-L134 HydrophobicContact CH2-CD2 3.64Å; W105-L134 HydrophobicContact CH2-CG 3.96Å; W105-L134 HydrophobicContact CZ3-CD2 3.6Å; W105-L134 HydrophobicContact CZ3-CG 3.77Å
106	A	87.6	Confident	88.5	Confident	67 Å²	67	41.8 Å²	41.8	55%	0.554	23%	0.229	S	C	*	.	H	α-helix	trans	-60.6	-34.7	-179.9	0	0	0	0	0	113	K104 T110	K104-A106 VanDerWaalsContact C-N 3.3Å; K104-A106 PolarHBondContact O-N 2.85Å; A106-T110 WeakPolarHBondContact O-CB 3.24Å; A106-T110 PolarHBondContact O-N 3.27Å; A106-T110 PolarHBondContact O-OG1 3.29Å
107	E	90.5	Very high	88.4	Confident	24 Å²	24	43.7 Å²	43.7	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-74.4	-44.4	180	-64.6	147.5	-169	0	0	110.1	F72 I73 L76 I103 K104 W105 T110 I111	F72-E107 HydrophobicContact CE1-CB 4.43Å; I73-E107 HydrophobicContact CD1-CG 3.9Å; I73-E107 WeakPolarHBondContact CD1-OE1 3.45Å; I73-E107 WeakPolarHBondContact CD1-OE2 3.32Å; L76-E107 HydrophobicContact CD2-CB 3.93Å; L76-E107 HydrophobicContact CD2-CG 3.93Å; I103-E107 HydrophobicContact CD1-CB 4.18Å; I103-E107 HydrophobicContact CG1-CB 3.68Å; K104-E107 HydrophobicContact CB-CG 4.4Å; K104-E107 WeakPolarHBondContact CB-OE2 3.3Å; K104-E107 WeakPolarHBondContact CD-OE1 3.32Å; K104-E107 PolarHBondContact N-OE2 2.87Å; K104-E107 WeakPolarHBondContact O-CB 3.4Å; K104-E107 PolarHBondContact O-N 2.85Å; W105-E107 VanDerWaalsContact C-N 3.25Å; W105-E107 PolarHBondContact O-N 3.06Å; E107-T110 WeakPolarHBondContact O-CB 3.36Å; E107-T110 PolarHBondContact O-N 3.16Å; E107-I111 WeakPolarHBondContact O-CG1 3.4Å; E107-I111 PolarHBondContact O-N 2.86Å
108	L	88.7	Confident	88.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-45.6	174.4	-178.2	62.1	0	0	0	111.7	L96 L98 I103 K104 W105 T110 I111 M112 M121 L130 L134	L96-L108 HydrophobicContact CD2-CD1 3.5Å; L96-L108 VanDerWaalsContact CD2-CD1 3.5Å; L98-L108 HydrophobicContact CD1-CD1 4.39Å; I103-L108 HydrophobicContact CD1-CB 4.26Å; K104-L108 PolarHBondContact O-N 3.41Å; W105-L108 HydrophobicContact CE3-CD2 4.47Å; W105-L108 HydrophobicContact CZ3-CD2 4.14Å; W105-L108 PolarHBondContact O-N 3.02Å; L108-T110 PolarHBondContact O-N 2.79Å; L108-I111 PolarHBondContact O-N 3.5Å; L108-I111 VanDerWaalsContact O-N 3.15Å; L108-M112 HydrophobicContact CD1-CG 4.35Å; L108-M112 HydrophobicContact CD1-SD 4.34Å; L108-M112 HydrophobicContact CD2-SD 4.22Å; L108-M112 HydrophobicContact CG-CG 4.32Å; L108-M112 HydrophobicContact CG-SD 3.76Å; L108-M112 VanDerWaalsContact O-CG 3.25Å; L108-M112 WeakPolarHBondContact O-CG 3.48Å; L108-M112 PolarHBondContact O-N 3.41Å; L108-M121 HydrophobicContact CD1-CE 4.18Å; L108-L130 HydrophobicContact CB-CD2 4.5Å; L108-L130 HydrophobicContact CD2-CD1 4.36Å; L108-L130 HydrophobicContact CD2-CD2 3.58Å; L108-L130 HydrophobicContact CD2-CG 4.4Å; L108-L134 HydrophobicContact CD2-CD1 4.21Å; L108-L134 HydrophobicContact CD2-CD2 3.72Å; L108-L134 HydrophobicContact CD2-CG 4.4Å
109	V	88.3	Confident	88.2	Confident	38 Å²	38	45.5 Å²	45.5	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-58	-39.3	175.6	167.5	0	0	0	0	110.8	W105 M112 L113	W105-V109 HydrophobicContact CD2-CG2 3.81Å; W105-V109 HydrophobicContact CE3-CG2 4.43Å; W105-V109 HydrophobicContact CG-CG2 4.22Å; W105-V109 HydrophobicContact CH2-CG2 4.2Å; W105-V109 HydrophobicContact CZ2-CG2 3.53Å; W105-V109 WeakPolarHBondContact O-CB 3.41Å; W105-V109 VanDerWaalsContact O-CG2 3.26Å; W105-V109 WeakPolarHBondContact O-CG2 3.2Å; W105-V109 PolarHBondContact O-N 3.21Å; V109-M112 PolarHBondContact O-N 2.71Å; V109-L113 HydrophobicContact CG1-CD1 3.61Å; V109-L113 HydrophobicContact CG1-CG 4Å; V109-L113 WeakPolarHBondContact O-CB 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.07Å; V109-L113 PolarHBondContact O-N 2.77Å
110	T	91.6	Very high	88.2	Confident	32 Å²	32	44.8 Å²	44.8	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-51	175.7	-59.5	0	0	0	0	110.8	L76 L86 A106 E107 L108 M112 L113 F114	L76-T110 HydrophobicContact CD1-CG2 4.04Å; L86-T110 HydrophobicContact CD2-CG2 4.19Å; A106-T110 WeakPolarHBondContact O-CB 3.24Å; A106-T110 PolarHBondContact O-N 3.27Å; A106-T110 PolarHBondContact O-OG1 3.29Å; E107-T110 WeakPolarHBondContact O-CB 3.36Å; E107-T110 PolarHBondContact O-N 3.16Å; L108-T110 PolarHBondContact O-N 2.79Å; T110-M112 VanDerWaalsContact C-N 3.29Å; T110-M112 PolarHBondContact O-N 3.44Å; T110-L113 PolarHBondContact O-N 3.1Å; T110-F114 HydrophobicContact CG2-CD2 3.9Å; T110-F114 HydrophobicContact CG2-CE2 4.06Å; T110-F114 WeakPolarHBondContact O-CD2 3.37Å; T110-F114 PolarHBondContact O-N 2.84Å
111	I	92.2	Very high	88.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-54.9	-49.7	176.9	-59.4	166.3	0	0	0	109.7	I65 F72 F90 L96 I103 E107 L108 L113 F114 S115	I65-I111 HydrophobicContact CD1-CD1 4.13Å; F72-I111 HydrophobicContact CE1-CD1 3.99Å; F72-I111 HydrophobicContact CE2-CD1 4.33Å; F72-I111 HydrophobicContact CZ-CD1 3.51Å; F72-I111 HydrophobicContact CZ-CG1 3.78Å; F90-I111 HydrophobicContact CD1-CG2 4.1Å; F90-I111 HydrophobicContact CE1-CB 4.27Å; F90-I111 HydrophobicContact CE1-CG1 3.97Å; F90-I111 HydrophobicContact CE1-CG2 3.89Å; F90-I111 HydrophobicContact CZ-CG1 4Å; L96-I111 HydrophobicContact CD1-CD1 4.24Å; L96-I111 HydrophobicContact CD2-CD1 4.09Å; L96-I111 HydrophobicContact CD2-CG2 4.08Å; I103-I111 HydrophobicContact CD1-CD1 3.82Å; E107-I111 WeakPolarHBondContact O-CG1 3.4Å; E107-I111 PolarHBondContact O-N 2.86Å; L108-I111 PolarHBondContact O-N 3.5Å; L108-I111 VanDerWaalsContact O-N 3.15Å; I111-L113 PolarHBondContact O-N 3.26Å; I111-F114 CarbonylContact O-C 3.36Å; I111-F114 PolarHBondContact O-N 3.18Å; I111-S115 WeakPolarHBondContact O-CB 3.38Å; I111-S115 PolarHBondContact O-N 2.77Å; I111-S115 PolarHBondContact O-OG 2.83Å
112	M	89	Confident	88.4	Confident	45 Å²	45	41.7 Å²	41.7	22%	0.222	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-44.3	-177.7	-69.3	166.5	47.5	0	0	113.3	L108 V109 T110 F114 S115 L118 L134 L136	L108-M112 HydrophobicContact CD1-CG 4.35Å; L108-M112 HydrophobicContact CD1-SD 4.34Å; L108-M112 HydrophobicContact CD2-SD 4.22Å; L108-M112 HydrophobicContact CG-CG 4.32Å; L108-M112 HydrophobicContact CG-SD 3.76Å; L108-M112 VanDerWaalsContact O-CG 3.25Å; L108-M112 WeakPolarHBondContact O-CG 3.48Å; L108-M112 PolarHBondContact O-N 3.41Å; V109-M112 PolarHBondContact O-N 2.71Å; T110-M112 VanDerWaalsContact C-N 3.29Å; T110-M112 PolarHBondContact O-N 3.44Å; M112-F114 PolarHBondContact O-N 3.07Å; M112-S115 PolarHBondContact O-N 3.09Å; M112-L118 HydrophobicContact CG-CD2 4.1Å; M112-L134 HydrophobicContact CE-CD2 3.98Å; M112-L134 HydrophobicContact SD-CD2 3.51Å; M112-L134 VanDerWaalsContact SD-CD2 3.51Å; M112-L136 HydrophobicContact CE-CD2 3.12Å; M112-L136 HydrophobicContact CE-CG 4.18Å; M112-L136 HydrophobicContact CG-CD2 3.98Å; M112-L136 HydrophobicContact SD-CD2 3.56Å; M112-L136 VanDerWaalsContact SD-CD2 3.56Å
113	L	89.8	Confident	88.5	Confident	126 Å²	126	38 Å²	38	66%	0.66	22%	0.215	S	C	*	.	H	α-helix	trans	-63.2	-33.3	-179.2	-76.5	173	0	0	0	112	V109 T110 I111	V109-L113 HydrophobicContact CG1-CD1 3.61Å; V109-L113 HydrophobicContact CG1-CG 4Å; V109-L113 WeakPolarHBondContact O-CB 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.07Å; V109-L113 PolarHBondContact O-N 2.77Å; T110-L113 PolarHBondContact O-N 3.1Å; I111-L113 PolarHBondContact O-N 3.26Å
114	F	93.5	Very high	88.3	Confident	40 Å²	40	38.9 Å²	38.9	18%	0.175	22%	0.22	C	C	.	.	H	α-helix	trans	-98.1	-3.1	-179	-65.7	-71.2	0	0	0	113.9	E83 L86 K87 F90 T110 I111 M112 P116	E83-F114 HydrophobicContact CG-CE1 3.89Å; E83-F114 HydrophobicContact CG-CZ 3.97Å; L86-F114 HydrophobicContact CB-CD1 4.26Å; L86-F114 HydrophobicContact CB-CD2 4.13Å; L86-F114 HydrophobicContact CB-CE1 4.35Å; L86-F114 HydrophobicContact CB-CE2 4.27Å; L86-F114 HydrophobicContact CB-CG 4.15Å; L86-F114 HydrophobicContact CB-CZ 4.37Å; L86-F114 HydrophobicContact CD1-CD2 4.3Å; L86-F114 HydrophobicContact CD1-CE2 3.81Å; L86-F114 HydrophobicContact CD1-CZ 4.11Å; K87-F114 HydrophobicContact CB-CD1 4.43Å; K87-F114 HydrophobicContact CD-CE1 4.42Å; K87-F114 HydrophobicContact CG-CD1 3.52Å; K87-F114 HydrophobicContact CG-CE1 3.66Å; F90-F114 CarbonylContact C-O 3.6Å; F90-F114 HydrophobicContact CB-CB 3.72Å; F90-F114 WeakPolarHBondContact CB-O 3.36Å; F90-F114 HydrophobicContact CD2-CB 3.81Å; F90-F114 HydrophobicContact CG-CB 4.1Å; T110-F114 HydrophobicContact CG2-CD2 3.9Å; T110-F114 HydrophobicContact CG2-CE2 4.06Å; T110-F114 WeakPolarHBondContact O-CD2 3.37Å; T110-F114 PolarHBondContact O-N 2.84Å; I111-F114 CarbonylContact O-C 3.36Å; I111-F114 PolarHBondContact O-N 3.18Å; M112-F114 PolarHBondContact O-N 3.07Å; F114-P116 VanDerWaalsContact C-CD 3.41Å; F114-P116 WeakPolarHBondContact O-CD 3.48Å
115	S	92.6	Very high	88	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.021	20%	0.199	C	C	.	.			trans	-113.4	70.6	177.4	-50	0	0	0	0	111	I111 M112 G117 L118	I111-S115 WeakPolarHBondContact O-CB 3.38Å; I111-S115 PolarHBondContact O-N 2.77Å; I111-S115 PolarHBondContact O-OG 2.83Å; M112-S115 PolarHBondContact O-N 3.09Å; S115-G117 PolarHBondContact O-N 3.1Å; S115-G117 VanDerWaalsContact O-N 3.1Å; S115-L118 WeakPolarHBondContact O-CB 3.28Å; S115-L118 PolarHBondContact O-N 2.99Å
116	P	87.2	Confident	87.4	Confident	115 Å²	115	30.2 Å²	30.2	75%	0.747	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.9	-176.4	27	-35.8	0	0	0	113.7	F114	F114-P116 VanDerWaalsContact C-CD 3.41Å; F114-P116 WeakPolarHBondContact O-CD 3.48Å
117	G	87	Confident	86.6	Confident	40 Å²	40	28.7 Å²	28.7	41%	0.412	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.6	175.3	0	0	0	0	0	114.8	T93 C94 S115 S119	T93-G117 CarbonylContact O-C 3.54Å; C94-G117 WeakPolarHBondContact CA-O 3.24Å; S115-G117 PolarHBondContact O-N 3.1Å; S115-G117 VanDerWaalsContact O-N 3.1Å; G117-S119 PolarHBondContact O-N 2.74Å; G117-S119 PolarHBondContact O-OG 2.89Å
118	L	88.4	Confident	85.7	Confident	19 Å²	19	30.8 Å²	30.8	10%	0.099	18%	0.181	C	C	.	.			trans	-61.4	111.1	-177.8	-177.5	62.8	0	0	0	110.3	T93 L96 M112 S115 M121 L138	T93-L118 PolarHBondContact O-N 2.94Å; L96-L118 HydrophobicContact CB-CD1 3.74Å; M112-L118 HydrophobicContact CG-CD2 4.1Å; S115-L118 WeakPolarHBondContact O-CB 3.28Å; S115-L118 PolarHBondContact O-N 2.99Å; L118-M121 HydrophobicContact CD2-CE 3.93Å; L118-L138 HydrophobicContact CG-CD2 4.48Å
119	S	86.2	Confident	84.8	Confident	20 Å²	20	35 Å²	35	14%	0.14	20%	0.199	C	C	.	.			trans	-131.7	-13.8	-175.2	52.9	0	0	0	0	113	C94 G117 R139 F140	C94-S119 PolarHBondContact O-N 2.85Å; G117-S119 PolarHBondContact O-N 2.74Å; G117-S119 PolarHBondContact O-OG 2.89Å; S119-R139 PolarHBondContact O-N 3.38Å; S119-F140 PolarHBondContact O-N 2.97Å; S119-F140 VanDerWaalsContact O-N 3.09Å
120	I	86.7	Confident	83.9	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.9	-179.4	-51.4	178.4	0	0	0	108.4	C94 Y95 L96 F140 L309 A313 L322	C94-I120 PolarHBondContact O-N 3.4Å; Y95-I120 WeakPolarHBondContact CA-O 2.9Å; Y95-I120 HydrophobicContact CD2-CB 3.79Å; Y95-I120 HydrophobicContact CD2-CD1 4.48Å; Y95-I120 HydrophobicContact CD2-CG2 3.34Å; Y95-I120 HydrophobicContact CE2-CG2 3.69Å; Y95-I120 HydrophobicContact CG-CB 4.49Å; Y95-I120 HydrophobicContact CG-CG2 4.42Å; L96-I120 PolarHBondContact N-O 3.12Å; I120-F140 HydrophobicContact CD1-CD2 3.75Å; I120-F140 HydrophobicContact CD1-CE2 4.05Å; I120-F140 HydrophobicContact CG1-CB 4.41Å; I120-F140 HydrophobicContact CG1-CD2 3.64Å; I120-F140 HydrophobicContact CG1-CE2 4.27Å; I120-F140 HydrophobicContact CG1-CG 4.35Å; I120-F140 HydrophobicContact CG2-CB 4.13Å; I120-F140 HydrophobicContact CG2-CD2 4.31Å; I120-L309 HydrophobicContact CG2-CB 3.78Å; I120-L309 HydrophobicContact CG2-CD1 3.56Å; I120-L309 HydrophobicContact CG2-CG 4.21Å; I120-A313 HydrophobicContact CD1-CB 4.07Å; I120-L322 HydrophobicContact CD1-CD1 4.13Å
121	M	88.1	Confident	82.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.4	177.2	-169.9	-179.4	-73.2	0	0	112.2	L96 L108 L118 L123 L136 L138 F140 R142 L309	L96-M121 HydrophobicContact CD2-CE 4.11Å; L96-M121 CarbonylContact O-C 3.22Å; L96-M121 VanDerWaalsContact O-CA 3.24Å; L96-M121 WeakPolarHBondContact O-CA 3.09Å; L108-M121 HydrophobicContact CD1-CE 4.18Å; L118-M121 HydrophobicContact CD2-CE 3.93Å; M121-L123 HydrophobicContact CG-CD2 3.92Å; M121-L123 HydrophobicContact CG-CG 4.11Å; M121-L123 HydrophobicContact SD-CD1 4.25Å; M121-L123 HydrophobicContact SD-CD2 3.87Å; M121-L123 HydrophobicContact SD-CG 4.25Å; M121-L136 HydrophobicContact CE-CD1 3.57Å; M121-L136 HydrophobicContact CE-CD2 4.41Å; M121-L136 HydrophobicContact SD-CD1 3.81Å; M121-L138 HydrophobicContact CB-CD1 3.5Å; M121-L138 HydrophobicContact CB-CD2 3.64Å; M121-L138 HydrophobicContact CB-CG 4.19Å; M121-L138 HydrophobicContact CE-CD2 4.3Å; M121-L138 HydrophobicContact CG-CD1 4.37Å; M121-L138 HydrophobicContact SD-CD1 4.13Å; M121-F140 PolarHBondContact N-O 2.81Å; M121-F140 VanDerWaalsContact N-O 3.1Å; M121-R142 PolarHBondContact O-N 2.85Å; M121-L309 WeakPolarHBondContact O-CD1 3.49Å
122	E	86.9	Confident	81.6	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.1	175.6	179.4	163	129.4	0	0	109.6	Y95 L96 A97 L98 Y99 I124 R142 D308 L309	Y95-E122 PolarHBondContact OH-OE2 3.44Å; L96-E122 PolarHBondContact O-N 3.43Å; A97-E122 WeakPolarHBondContact CA-O 3.36Å; A97-E122 HydrophobicContact CB-CB 3.81Å; A97-E122 HydrophobicContact CB-CG 4.34Å; L98-E122 PolarHBondContact N-O 3.43Å; Y99-E122 VanDerWaalsContact CE1-OE1 3.25Å; Y99-E122 WeakPolarHBondContact CE1-OE1 2.92Å; Y99-E122 PolarHBondContact OH-OE1 2.83Å; E122-I124 HydrophobicContact CG-CD1 3.8Å; E122-I124 HydrophobicContact CG-CG1 4.16Å; E122-I124 WeakPolarHBondContact OE1-CD1 3.07Å; E122-R142 IonicContact OE1-CZ 2.69Å; E122-R142 IonicContact OE1-NH1 3.86Å; E122-R142 PolarHBondContact OE1-NH1 2.96Å; E122-R142 WeakPolarHBondContact OE2-CD 3.12Å; E122-R142 IonicContact OE2-CZ 3.16Å; E122-R142 IonicContact OE2-NH1 2.98Å; E122-R142 PolarHBondContact OE2-NH1 2.88Å; E122-D308 WeakPolarHBondContact OE2-CB 2.88Å; E122-L309 HydrophobicContact CB-CD1 3.82Å; E122-L309 HydrophobicContact CB-CG 4.31Å; E122-L309 PolarHBondContact OE2-N 2.92Å
123	L	85.5	Confident	80.3	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.5	-179.5	-59.7	174.8	0	0	0	108.6	L98 M121 C126 L130 F131 L141 R142 L143 S144	L98-L123 HydrophobicContact CB-CD2 4.13Å; L98-L123 HydrophobicContact CD1-CD2 3.64Å; L98-L123 HydrophobicContact CG-CD2 4.14Å; M121-L123 HydrophobicContact CG-CD2 3.92Å; M121-L123 HydrophobicContact CG-CG 4.11Å; M121-L123 HydrophobicContact SD-CD1 4.25Å; M121-L123 HydrophobicContact SD-CD2 3.87Å; M121-L123 HydrophobicContact SD-CG 4.25Å; L123-C126 HydrophobicContact CB-CB 4.28Å; L123-C126 HydrophobicContact CD2-CB 4.36Å; L123-L130 HydrophobicContact CD2-CD1 4.48Å; L123-F131 HydrophobicContact CB-CZ 4.3Å; L123-F131 HydrophobicContact CD1-CD1 4.2Å; L123-F131 HydrophobicContact CD1-CE1 3.24Å; L123-F131 HydrophobicContact CD1-CZ 3.5Å; L123-L141 HydrophobicContact CD1-CD1 4.12Å; L123-R142 PolarHBondContact N-O 2.98Å; L123-L143 HydrophobicContact CB-CD2 4.25Å; L123-L143 HydrophobicContact CD1-CD2 4.25Å; L123-S144 PolarHBondContact O-N 3.33Å
124	I	83.8	Confident	79.1	Confident	21 Å²	21	32.5 Å²	32.5	11%	0.108	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.5	177.1	-67.4	158.7	0	0	0	108.4	L98 Y99 S100 E122 C126 S144	L98-I124 PolarHBondContact O-N 2.86Å; Y99-I124 HydrophobicContact CD1-CB 4.22Å; Y99-I124 HydrophobicContact CD1-CD1 3.37Å; Y99-I124 HydrophobicContact CD1-CG1 4.37Å; Y99-I124 HydrophobicContact CE1-CD1 3.29Å; S100-I124 PolarHBondContact N-O 3.45Å; E122-I124 HydrophobicContact CG-CD1 3.8Å; E122-I124 HydrophobicContact CG-CG1 4.16Å; E122-I124 WeakPolarHBondContact OE1-CD1 3.07Å; I124-C126 VanDerWaalsContact C-N 3.26Å; I124-C126 PolarHBondContact O-N 2.73Å; I124-C126 PolarHBondContact O-SG 2.83Å; I124-S144 VanDerWaalsContact CA-O 3.26Å; I124-S144 WeakPolarHBondContact CA-O 3.31Å
125	D	79.7	Confident	77.8	Confident	28 Å²	28	41 Å²	41	15%	0.15	22%	0.217	C	C	.	.	S	Bend	trans	50.9	43.5	179.9	-57.6	-38.2	0	0	0	113.3	S100 S144 G145 T146 D147	S100-D125 WeakPolarHBondContact CA-O 3.35Å; S100-D125 WeakPolarHBondContact OG-CB 3.36Å; S100-D125 PolarHBondContact OG-OD2 2.81Å; D125-S144 PolarHBondContact N-O 3.31Å; D125-G145 WeakPolarHBondContact OD1-CA 3.44Å; D125-T146 PolarHBondContact OD1-N 3.19Å; D125-D147 WeakPolarHBondContact CA-O 3.26Å; D125-D147 HydrophobicContact CB-CB 4Å; D125-D147 PolarHBondContact OD1-N 2.89Å
126	C	72.9	Confident	76.5	Confident	7 Å²	7	42 Å²	42	5%	0.047	22%	0.222	C	C	.	.			trans	-100.3	148.7	-172.4	-73.5	0	0	0	0	112.4	L98 L123 I124 E128 L130	L98-C126 WeakPolarHBondContact CB-SG 3.43Å; L98-C126 PolarHBondContact O-SG 3.01Å; L123-C126 HydrophobicContact CB-CB 4.28Å; L123-C126 HydrophobicContact CD2-CB 4.36Å; I124-C126 VanDerWaalsContact C-N 3.26Å; I124-C126 PolarHBondContact O-N 2.73Å; I124-C126 PolarHBondContact O-SG 2.83Å; C126-E128 PolarHBondContact O-N 3.09Å; C126-L130 HydrophobicContact CB-CD1 4.04Å
127	P	70.3	Confident	75.9	Confident	35 Å²	35	44 Å²	44	23%	0.227	22%	0.222	C	C	.	.			trans	-57.5	137.3	-178.3	-25.1	33.5	0	0	0	114.1	C101 F129 L130	C101-P127 WeakPolarHBondContact O-CD 3.36Å; P127-F129 HydrophobicContact CB-CD1 3.46Å; P127-F129 VanDerWaalsContact CB-CD1 3.46Å; P127-F129 HydrophobicContact CB-CE1 3.18Å; P127-F129 HydrophobicContact CB-CG 4.44Å; P127-F129 HydrophobicContact CB-CZ 3.95Å; P127-F129 HydrophobicContact CG-CE1 3.81Å; P127-F129 HydrophobicContact CG-CZ 4.3Å; P127-F129 PolarHBondContact O-N 3.26Å; P127-F129 VanDerWaalsContact O-N 3.16Å; P127-L130 WeakPolarHBondContact O-CB 3.48Å; P127-L130 WeakPolarHBondContact O-CG 3.4Å; P127-L130 PolarHBondContact O-N 2.69Å
128	E	70.8	Confident	75.8	Confident	69 Å²	69	42.3 Å²	42.3	32%	0.322	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.2	-176.8	-67.6	176.1	-137.2	0	0	114.4	C126 L130 F131 K150 T153	C126-E128 PolarHBondContact O-N 3.09Å; E128-L130 PolarHBondContact O-N 2.74Å; E128-L130 VanDerWaalsContact O-N 3.07Å; E128-F131 WeakPolarHBondContact O-CD2 2.97Å; E128-F131 PolarHBondContact O-N 3.26Å; E128-K150 WeakPolarHBondContact OE1-CD 3.2Å; E128-K150 WeakPolarHBondContact OE1-CE 3.17Å; E128-K150 IonicContact OE1-NZ 2.69Å; E128-K150 PolarHBondContact OE1-NZ 3.19Å; E128-T153 HydrophobicContact CB-CG2 4.35Å; E128-T153 PolarHBondContact OE2-OG1 2.83Å
129	F	70.6	Confident	75.8	Confident	88 Å²	88	45 Å²	45	39%	0.386	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-18.3	-177.4	70.9	-101.1	0	0	0	113.2	I103 W105 P127 F131 S132	I103-F129 WeakPolarHBondContact O-CZ 3.48Å; W105-F129 HydrophobicContact CB-CD2 4.15Å; W105-F129 HydrophobicContact CB-CE2 3.77Å; P127-F129 HydrophobicContact CB-CD1 3.46Å; P127-F129 VanDerWaalsContact CB-CD1 3.46Å; P127-F129 HydrophobicContact CB-CE1 3.18Å; P127-F129 HydrophobicContact CB-CG 4.44Å; P127-F129 HydrophobicContact CB-CZ 3.95Å; P127-F129 HydrophobicContact CG-CE1 3.81Å; P127-F129 HydrophobicContact CG-CZ 4.3Å; P127-F129 PolarHBondContact O-N 3.26Å; P127-F129 VanDerWaalsContact O-N 3.16Å; F129-F131 PolarHBondContact O-N 2.82Å; F129-S132 PolarHBondContact O-OG 2.84Å
130	L	70	Confident	75.9	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.8	-40.7	173.8	-62.3	-174.4	0	0	0	109.3	L98 I103 W105 L108 L123 C126 P127 E128 S132 L134	L98-L130 HydrophobicContact CD1-CD1 4.19Å; I103-L130 HydrophobicContact CG2-CD1 4.38Å; W105-L130 HydrophobicContact CE3-CD2 4.04Å; W105-L130 HydrophobicContact CZ3-CD2 4.43Å; L108-L130 HydrophobicContact CB-CD2 4.5Å; L108-L130 HydrophobicContact CD2-CD1 4.36Å; L108-L130 HydrophobicContact CD2-CD2 3.58Å; L108-L130 HydrophobicContact CD2-CG 4.4Å; L123-L130 HydrophobicContact CD2-CD1 4.48Å; C126-L130 HydrophobicContact CB-CD1 4.04Å; P127-L130 WeakPolarHBondContact O-CB 3.48Å; P127-L130 WeakPolarHBondContact O-CG 3.4Å; P127-L130 PolarHBondContact O-N 2.69Å; E128-L130 PolarHBondContact O-N 2.74Å; E128-L130 VanDerWaalsContact O-N 3.07Å; L130-S132 PolarHBondContact O-N 2.82Å; L130-L134 HydrophobicContact CB-CD1 3.93Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.33Å; L130-L134 WeakPolarHBondContact O-CD1 3.07Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 2.86Å
131	F	68.8	Low	76.1	Confident	4 Å²	4	44 Å²	44	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-78.2	-29.1	-169.6	-58	-77.8	0	0	0	115.2	L123 E128 F129 E133 L143 M149 L157	L123-F131 HydrophobicContact CB-CZ 4.3Å; L123-F131 HydrophobicContact CD1-CD1 4.2Å; L123-F131 HydrophobicContact CD1-CE1 3.24Å; L123-F131 HydrophobicContact CD1-CZ 3.5Å; E128-F131 WeakPolarHBondContact O-CD2 2.97Å; E128-F131 PolarHBondContact O-N 3.26Å; F129-F131 PolarHBondContact O-N 2.82Å; F131-E133 VanDerWaalsContact C-N 3.28Å; F131-E133 PolarHBondContact O-N 2.96Å; F131-L143 HydrophobicContact CE1-CD2 3.52Å; F131-L143 HydrophobicContact CZ-CD2 3.76Å; F131-M149 HydrophobicContact CB-CE 3.51Å; F131-M149 HydrophobicContact CD1-CE 3Å; F131-M149 HydrophobicContact CD2-CB 4.3Å; F131-M149 HydrophobicContact CD2-CE 3.45Å; F131-M149 VanDerWaalsContact CD2-CE 3.45Å; F131-M149 HydrophobicContact CD2-CG 3.98Å; F131-M149 HydrophobicContact CE1-CE 3.35Å; F131-M149 HydrophobicContact CE2-CB 3.81Å; F131-M149 HydrophobicContact CE2-CE 3.81Å; F131-M149 HydrophobicContact CE2-CG 4.02Å; F131-M149 HydrophobicContact CG-CE 3.03Å; F131-M149 HydrophobicContact CG-CG 4.49Å; F131-M149 HydrophobicContact CG-SD 4.49Å; F131-M149 HydrophobicContact CZ-CB 4.07Å; F131-M149 HydrophobicContact CZ-CE 3.75Å; F131-L157 HydrophobicContact CB-CD2 3.97Å
132	S	65.6	Low	76.1	Confident	64 Å²	64	44.7 Å²	44.7	45%	0.448	21%	0.207	S	C	.	.	H	α-helix	trans	-69	-28.7	-179.4	51.4	0	0	0	0	113	F129 L130	F129-S132 PolarHBondContact O-OG 2.84Å; L130-S132 PolarHBondContact O-N 2.82Å
133	E	62.7	Low	76.2	Confident	117 Å²	117	44.8 Å²	44.8	55%	0.547	21%	0.208	S	C	.	.	H	α-helix	trans	-107.2	-17.5	-173	-63.4	-64.4	154	0	0	113.5	W105 F131 R135	W105-E133 HydrophobicContact CD2-CB 4.33Å; W105-E133 HydrophobicContact CE3-CB 4.32Å; W105-E133 HydrophobicContact CH2-CB 3.43Å; W105-E133 VanDerWaalsContact CH2-CB 3.43Å; W105-E133 HydrophobicContact CZ2-CB 3.42Å; W105-E133 VanDerWaalsContact CZ2-CB 3.42Å; W105-E133 HydrophobicContact CZ2-CG 4.43Å; W105-E133 HydrophobicContact CZ3-CB 3.89Å; F131-E133 VanDerWaalsContact C-N 3.28Å; F131-E133 PolarHBondContact O-N 2.96Å; E133-R135 PolarHBondContact O-N 3.3Å
134	L	63.7	Low	76.1	Confident	3 Å²	3	45 Å²	45	2%	0.016	21%	0.21	C	C	.	.			trans	-71	88.6	-176	-78.1	168.5	0	0	0	112.3	W105 L108 M112 L130 L136	W105-L134 HydrophobicContact CH2-CD2 3.64Å; W105-L134 HydrophobicContact CH2-CG 3.96Å; W105-L134 HydrophobicContact CZ3-CD2 3.6Å; W105-L134 HydrophobicContact CZ3-CG 3.77Å; L108-L134 HydrophobicContact CD2-CD1 4.21Å; L108-L134 HydrophobicContact CD2-CD2 3.72Å; L108-L134 HydrophobicContact CD2-CG 4.4Å; M112-L134 HydrophobicContact CE-CD2 3.98Å; M112-L134 HydrophobicContact SD-CD2 3.51Å; M112-L134 VanDerWaalsContact SD-CD2 3.51Å; L130-L134 HydrophobicContact CB-CD1 3.93Å; L130-L134 VanDerWaalsContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CB 3.33Å; L130-L134 WeakPolarHBondContact O-CD1 3.07Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 2.86Å; L134-L136 HydrophobicContact CB-CD1 3.92Å; L134-L136 HydrophobicContact CB-CG 3.89Å; L134-L136 HydrophobicContact CD1-CD1 3.82Å; L134-L136 HydrophobicContact CD2-CD1 3.44Å; L134-L136 VanDerWaalsContact CD2-CD1 3.44Å; L134-L136 HydrophobicContact CD2-CD2 3.82Å; L134-L136 HydrophobicContact CD2-CG 3.49Å; L134-L136 VanDerWaalsContact CD2-CG 3.49Å; L134-L136 HydrophobicContact CG-CD1 3.85Å; L134-L136 HydrophobicContact CG-CG 4.1Å; L134-L136 PolarHBondContact O-N 3.25Å; L134-L136 VanDerWaalsContact O-N 3.16Å
135	R	65.8	Low	75.7	Confident	219 Å²	219	44.2 Å²	44.2	83%	0.826	21%	0.207	S	C	*	.			trans	-81.6	69.3	156.3	-66.6	-170.8	-178	-173.9	1.8	109.9	E133 V159	E133-R135 PolarHBondContact O-N 3.3Å; R135-V159 HydrophobicContact CG-CG1 4.05Å
136	L	65.7	Low	75.1	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.12	23%	0.233	C	C	.	.			trans	-91.2	146.7	-179.4	-67.3	170	0	0	0	113	M112 M121 L134 L138	M112-L136 HydrophobicContact CE-CD2 3.12Å; M112-L136 HydrophobicContact CE-CG 4.18Å; M112-L136 HydrophobicContact CG-CD2 3.98Å; M112-L136 HydrophobicContact SD-CD2 3.56Å; M112-L136 VanDerWaalsContact SD-CD2 3.56Å; M121-L136 HydrophobicContact CE-CD1 3.57Å; M121-L136 HydrophobicContact CE-CD2 4.41Å; M121-L136 HydrophobicContact SD-CD1 3.81Å; L134-L136 HydrophobicContact CB-CD1 3.92Å; L134-L136 HydrophobicContact CB-CG 3.89Å; L134-L136 HydrophobicContact CD1-CD1 3.82Å; L134-L136 HydrophobicContact CD2-CD1 3.44Å; L134-L136 VanDerWaalsContact CD2-CD1 3.44Å; L134-L136 HydrophobicContact CD2-CD2 3.82Å; L134-L136 HydrophobicContact CD2-CG 3.49Å; L134-L136 VanDerWaalsContact CD2-CG 3.49Å; L134-L136 HydrophobicContact CG-CD1 3.85Å; L134-L136 HydrophobicContact CG-CG 4.1Å; L134-L136 PolarHBondContact O-N 3.25Å; L134-L136 VanDerWaalsContact O-N 3.16Å; L136-L138 HydrophobicContact CB-CB 4.41Å; L136-L138 HydrophobicContact CB-CD1 4.22Å; L136-L138 HydrophobicContact CB-CD2 4.45Å; L136-L138 HydrophobicContact CB-CG 3.66Å; L136-L138 HydrophobicContact CD1-CD1 3.41Å; L136-L138 VanDerWaalsContact CD1-CD1 3.41Å; L136-L138 HydrophobicContact CD1-CD2 4.13Å; L136-L138 HydrophobicContact CD1-CG 3.6Å; L136-L138 HydrophobicContact CG-CD1 4.46Å; L136-L138 HydrophobicContact CG-CG 4.22Å; L136-L138 PolarHBondContact O-N 2.81Å
137	Q	74.5	Confident	74.8	Confident	159 Å²	159	53.2 Å²	53.2	74%	0.743	26%	0.259	S	S	*	.			trans	-87.6	47.3	163.9	-60.1	-175.2	21.5	0	0	110.9	C163	Q137-C163 HydrophobicContact CB-CB 4.41Å
138	L	85	Confident	74.7	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	25%	0.25	C	S	.	.			trans	-72.9	136.3	174.7	-66.4	177.4	0	0	0	110.3	L118 M121 L136 L141 C163 V164	L118-L138 HydrophobicContact CG-CD2 4.48Å; M121-L138 HydrophobicContact CB-CD1 3.5Å; M121-L138 HydrophobicContact CB-CD2 3.64Å; M121-L138 HydrophobicContact CB-CG 4.19Å; M121-L138 HydrophobicContact CE-CD2 4.3Å; M121-L138 HydrophobicContact CG-CD1 4.37Å; M121-L138 HydrophobicContact SD-CD1 4.13Å; L136-L138 HydrophobicContact CB-CB 4.41Å; L136-L138 HydrophobicContact CB-CD1 4.22Å; L136-L138 HydrophobicContact CB-CD2 4.45Å; L136-L138 HydrophobicContact CB-CG 3.66Å; L136-L138 HydrophobicContact CD1-CD1 3.41Å; L136-L138 VanDerWaalsContact CD1-CD1 3.41Å; L136-L138 HydrophobicContact CD1-CD2 4.13Å; L136-L138 HydrophobicContact CD1-CG 3.6Å; L136-L138 HydrophobicContact CG-CD1 4.46Å; L136-L138 HydrophobicContact CG-CG 4.22Å; L136-L138 PolarHBondContact O-N 2.81Å; L138-L141 HydrophobicContact CD1-CD1 4.05Å; L138-C163 CarbonylContact O-C 3.57Å; L138-C163 WeakPolarHBondContact O-CB 3.45Å; L138-C163 VanDerWaalsContact O-O 3.1Å; L138-V164 HydrophobicContact CB-CG2 4.37Å; L138-V164 VanDerWaalsContact O-CA 3.3Å; L138-V164 WeakPolarHBondContact O-CA 3.31Å; L138-V164 WeakPolarHBondContact O-CG2 3.43Å; L138-V164 PolarHBondContact O-N 3.35Å; L138-V164 VanDerWaalsContact O-N 3.07Å
139	R	88.6	Confident	75	Confident	75 Å²	75	48.8 Å²	48.8	28%	0.283	24%	0.236	S	C	.	.	S	Bend	trans	-86.3	-42.1	167.3	-68.5	-179.1	64.6	-142.1	-4.8	111.1	S119 C163 V164 E165 L166 D317	S119-R139 PolarHBondContact O-N 3.38Å; R139-C163 WeakPolarHBondContact CA-O 3.09Å; R139-V164 CarbonylContact O-C 3.55Å; R139-V164 WeakPolarHBondContact O-CA 3.36Å; R139-E165 IonicContact CZ-OE2 2.8Å; R139-E165 IonicContact NE-OE2 3.54Å; R139-E165 PolarHBondContact NE-OE2 3.46Å; R139-E165 VanDerWaalsContact NE-OE2 3.09Å; R139-E165 IonicContact NH2-OE2 2.81Å; R139-E165 PolarHBondContact NH2-OE2 3.4Å; R139-E165 PolarHBondContact O-N 2.87Å; R139-L166 PolarHBondContact O-N 2.83Å; R139-L166 VanDerWaalsContact O-N 3.11Å; R139-D317 IonicContact CZ-OD1 3.01Å; R139-D317 IonicContact NH1-OD1 2.73Å; R139-D317 PolarHBondContact NH1-OD1 3.23Å; R139-D317 IonicContact NH1-OD2 3.39Å; R139-D317 IonicContact NH2-OD1 3.57Å; R139-D317 PolarHBondContact NH2-OD1 3.34Å
140	F	89.1	Confident	75.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.9	-178.4	-51.6	-26.6	0	0	0	111	S119 I120 M121 L166 L309 A313 I316	S119-F140 PolarHBondContact O-N 2.97Å; S119-F140 VanDerWaalsContact O-N 3.09Å; I120-F140 HydrophobicContact CD1-CD2 3.75Å; I120-F140 HydrophobicContact CD1-CE2 4.05Å; I120-F140 HydrophobicContact CG1-CB 4.41Å; I120-F140 HydrophobicContact CG1-CD2 3.64Å; I120-F140 HydrophobicContact CG1-CE2 4.27Å; I120-F140 HydrophobicContact CG1-CG 4.35Å; I120-F140 HydrophobicContact CG2-CB 4.13Å; I120-F140 HydrophobicContact CG2-CD2 4.31Å; M121-F140 PolarHBondContact N-O 2.81Å; M121-F140 VanDerWaalsContact N-O 3.1Å; F140-L166 WeakPolarHBondContact CA-O 3.27Å; F140-L166 HydrophobicContact CB-CB 4.46Å; F140-L166 HydrophobicContact CB-CD2 4.26Å; F140-L166 HydrophobicContact CD1-CB 3.63Å; F140-L166 HydrophobicContact CE1-CB 4.3Å; F140-L166 HydrophobicContact CG-CB 4.26Å; F140-L309 HydrophobicContact CB-CD2 4.07Å; F140-A313 HydrophobicContact CD2-CB 4.36Å; F140-A313 HydrophobicContact CE2-CB 4.11Å; F140-I316 HydrophobicContact CD1-CD1 4.3Å; F140-I316 HydrophobicContact CE1-CB 4.29Å; F140-I316 HydrophobicContact CE1-CD1 3.88Å; F140-I316 HydrophobicContact CE1-CG2 3.82Å; F140-I316 HydrophobicContact CZ-CB 3.89Å; F140-I316 HydrophobicContact CZ-CD1 4.19Å; F140-I316 HydrophobicContact CZ-CG2 3.63Å
141	L	89.5	Confident	76.3	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.3	178.5	179.3	63	0	0	0	109.8	L123 L138 L143 M161 V164 L166 L167 A168 F191	L123-L141 HydrophobicContact CD1-CD1 4.12Å; L138-L141 HydrophobicContact CD1-CD1 4.05Å; L141-L143 HydrophobicContact CD1-CD2 4.07Å; L141-L143 HydrophobicContact CD2-CD2 4.47Å; L141-L143 HydrophobicContact CG-CD2 4.22Å; L141-M161 HydrophobicContact CD2-SD 3.91Å; L141-V164 HydrophobicContact CB-CG1 4.33Å; L141-V164 HydrophobicContact CB-CG2 4.42Å; L141-L166 PolarHBondContact N-O 3.24Å; L141-L167 HydrophobicContact CB-CD1 4.31Å; L141-L167 HydrophobicContact CD2-CD1 4.08Å; L141-L167 HydrophobicContact CG-CD1 4.22Å; L141-L167 CarbonylContact O-C 3.55Å; L141-L167 WeakPolarHBondContact O-CA 3.48Å; L141-A168 PolarHBondContact O-N 3.09Å; L141-F191 HydrophobicContact CD2-CE1 4.03Å; L141-F191 HydrophobicContact CD2-CZ 4.36Å
142	R	89.2	Confident	77	Confident	14 Å²	14	48.7 Å²	48.7	5%	0.053	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.9	172.1	176.8	-176.2	171.2	-143.5	-6.8	110.2	M121 E122 L123 S144 A168 L309	M121-R142 PolarHBondContact O-N 2.85Å; E122-R142 IonicContact OE1-CZ 2.69Å; E122-R142 IonicContact OE1-NH1 3.86Å; E122-R142 PolarHBondContact OE1-NH1 2.96Å; E122-R142 WeakPolarHBondContact OE2-CD 3.12Å; E122-R142 IonicContact OE2-CZ 3.16Å; E122-R142 IonicContact OE2-NH1 2.98Å; E122-R142 PolarHBondContact OE2-NH1 2.88Å; L123-R142 PolarHBondContact N-O 2.98Å; R142-S144 PolarHBondContact NH2-OG 2.87Å; R142-A168 WeakPolarHBondContact CA-O 3.37Å; R142-A168 HydrophobicContact CB-CB 4.15Å; R142-A168 HydrophobicContact CG-CB 4.09Å; R142-L309 HydrophobicContact CB-CD1 3.74Å; R142-L309 HydrophobicContact CB-CD2 3.63Å; R142-L309 HydrophobicContact CB-CG 3.46Å; R142-L309 VanDerWaalsContact CB-CG 3.46Å; R142-L309 HydrophobicContact CG-CG 4.43Å
143	L	87.9	Confident	77.8	Confident	3 Å²	3	47 Å²	47	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125	172	-51.7	-177.4	0	0	0	109	L123 F131 L141 M149 F154 A168 L169 Q170 L172	L123-L143 HydrophobicContact CB-CD2 4.25Å; L123-L143 HydrophobicContact CD1-CD2 4.25Å; F131-L143 HydrophobicContact CE1-CD2 3.52Å; F131-L143 HydrophobicContact CZ-CD2 3.76Å; L141-L143 HydrophobicContact CD1-CD2 4.07Å; L141-L143 HydrophobicContact CD2-CD2 4.47Å; L141-L143 HydrophobicContact CG-CD2 4.22Å; L143-M149 HydrophobicContact CD1-CE 4.19Å; L143-F154 HydrophobicContact CD1-CD2 4.03Å; L143-F154 HydrophobicContact CD1-CE2 3.6Å; L143-A168 PolarHBondContact N-O 3.11Å; L143-L169 HydrophobicContact CB-CD2 3.99Å; L143-L169 HydrophobicContact CD1-CD2 3.74Å; L143-L169 HydrophobicContact CG-CD2 4.05Å; L143-Q170 PolarHBondContact O-N 2.66Å; L143-L172 HydrophobicContact CB-CD2 4.26Å; L143-L172 HydrophobicContact CD1-CD2 4.19Å
144	S	84.7	Confident	78.8	Confident	9 Å²	9	41.5 Å²	41.5	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	171.2	-177.5	-175.4	0	0	0	0	109.2	L123 I124 D125 R142	L123-S144 PolarHBondContact O-N 3.33Å; I124-S144 VanDerWaalsContact CA-O 3.26Å; I124-S144 WeakPolarHBondContact CA-O 3.31Å; D125-S144 PolarHBondContact N-O 3.31Å; R142-S144 PolarHBondContact NH2-OG 2.87Å
145	G	75.3	Confident	79.8	Confident	5 Å²	5	44.7 Å²	44.7	5%	0.052	21%	0.214	C	C	.	.	S	Bend	trans	109.9	160	-179.8	0	0	0	0	0	114	D125 A148 E171	D125-G145 WeakPolarHBondContact OD1-CA 3.44Å; G145-A148 WeakPolarHBondContact O-CB 3.48Å; G145-A148 PolarHBondContact O-N 2.62Å; G145-E171 WeakPolarHBondContact CA-OE2 3.35Å; G145-E171 PolarHBondContact N-OE2 3.12Å; G145-E171 VanDerWaalsContact O-CB 3.28Å; G145-E171 WeakPolarHBondContact O-CB 3.45Å
146	T	67.5	Low	80.6	Confident	111 Å²	111	41.3 Å²	41.3	68%	0.681	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-30.9	174.3	51.3	0	0	0	0	113.4	D125 A148	D125-T146 PolarHBondContact OD1-N 3.19Å; T146-A148 VanDerWaalsContact C-N 3.32Å
147	D	66.6	Low	81.3	Confident	113 Å²	113	40.8 Å²	40.8	60%	0.604	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	33.9	171.6	-58.9	-39	0	0	0	109.7	D125	D125-D147 WeakPolarHBondContact CA-O 3.26Å; D125-D147 HydrophobicContact CB-CB 4Å; D125-D147 PolarHBondContact OD1-N 2.89Å
148	A	67.5	Low	81.6	Confident	5 Å²	5	44.7 Å²	44.7	4%	0.041	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-59.5	170.9	176.6	0	0	0	0	0	111.6	G145 T146 K150 E171 D173	G145-A148 WeakPolarHBondContact O-CB 3.48Å; G145-A148 PolarHBondContact O-N 2.62Å; T146-A148 VanDerWaalsContact C-N 3.32Å; A148-K150 PolarHBondContact O-N 3.28Å; A148-E171 WeakPolarHBondContact CB-O 3.3Å; A148-D173 WeakPolarHBondContact O-CB 3.4Å
149	M	77.2	Confident	81.4	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.03	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-52.9	129.9	175.6	-173.7	-156.2	-78.8	0	0	110.4	F131 L143 T153 F154 L157 D173	F131-M149 HydrophobicContact CB-CE 3.51Å; F131-M149 HydrophobicContact CD1-CE 3Å; F131-M149 HydrophobicContact CD2-CB 4.3Å; F131-M149 HydrophobicContact CD2-CE 3.45Å; F131-M149 VanDerWaalsContact CD2-CE 3.45Å; F131-M149 HydrophobicContact CD2-CG 3.98Å; F131-M149 HydrophobicContact CE1-CE 3.35Å; F131-M149 HydrophobicContact CE2-CB 3.81Å; F131-M149 HydrophobicContact CE2-CE 3.81Å; F131-M149 HydrophobicContact CE2-CG 4.02Å; F131-M149 HydrophobicContact CG-CE 3.03Å; F131-M149 HydrophobicContact CG-CG 4.49Å; F131-M149 HydrophobicContact CG-SD 4.49Å; F131-M149 HydrophobicContact CZ-CB 4.07Å; F131-M149 HydrophobicContact CZ-CE 3.75Å; L143-M149 HydrophobicContact CD1-CE 4.19Å; M149-T153 HydrophobicContact CG-CG2 4.26Å; M149-F154 HydrophobicContact CE-CD2 4.13Å; M149-F154 VanDerWaalsContact SD-CA 3.56Å; M149-F154 HydrophobicContact SD-CB 3.43Å; M149-F154 WeakPolarHBondContact SD-CB 3.16Å; M149-F154 HydrophobicContact SD-CD2 3.24Å; M149-F154 WeakPolarHBondContact SD-CD2 3.16Å; M149-F154 HydrophobicContact SD-CE2 4.22Å; M149-F154 HydrophobicContact SD-CG 3.62Å; M149-L157 HydrophobicContact CE-CD1 4.33Å; M149-L157 HydrophobicContact CE-CD2 4.49Å; M149-D173 PolarHBondContact O-N 3.05Å
150	K	82.6	Confident	81.3	Confident	65 Å²	65	45.1 Å²	45.1	28%	0.283	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-59.4	139	171.4	-73.4	-179.3	-176.1	142.4	0	112.2	E128 A148 S152 T153 F154 D173 D175	E128-K150 WeakPolarHBondContact OE1-CD 3.2Å; E128-K150 WeakPolarHBondContact OE1-CE 3.17Å; E128-K150 IonicContact OE1-NZ 2.69Å; E128-K150 PolarHBondContact OE1-NZ 3.19Å; A148-K150 PolarHBondContact O-N 3.28Å; K150-S152 PolarHBondContact O-N 3.34Å; K150-T153 PolarHBondContact O-N 3.4Å; K150-T153 VanDerWaalsContact O-N 3.16Å; K150-F154 PolarHBondContact O-N 3.29Å; K150-D173 CarbonylContact C-O 3.49Å; K150-D173 VanDerWaalsContact CA-O 3.32Å; K150-D173 WeakPolarHBondContact CA-O 3.02Å; K150-D173 WeakPolarHBondContact CE-OD2 3.46Å; K150-D173 HydrophobicContact CG-CB 3.99Å; K150-D173 WeakPolarHBondContact CG-OD2 3.44Å; K150-D175 HydrophobicContact CD-CB 4.29Å; K150-D175 HydrophobicContact CG-CB 4.27Å
151	L	84.6	Confident	81.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-58.6	-39	174.5	-176.5	60	0	0	0	111	F154 K155 D173 D175 V179 F183	L151-F154 PolarHBondContact O-N 3.4Å; L151-K155 HydrophobicContact CG-CD 4.48Å; L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 2.61Å; L151-D173 PolarHBondContact N-O 3.2Å; L151-D175 PolarHBondContact N-OD1 3.03Å; L151-V179 HydrophobicContact CD1-CG2 4.05Å; L151-V179 HydrophobicContact CD2-CG2 4.36Å; L151-F183 HydrophobicContact CD1-CB 4.49Å; L151-F183 HydrophobicContact CD1-CD1 4.41Å; L151-F183 HydrophobicContact CD1-CD2 3.28Å; L151-F183 HydrophobicContact CD1-CE1 4.49Å; L151-F183 HydrophobicContact CD1-CE2 3.38Å; L151-F183 HydrophobicContact CD1-CG 3.81Å; L151-F183 HydrophobicContact CD1-CZ 4.01Å
152	S	84.8	Confident	81.2	Confident	23 Å²	23	49.3 Å²	49.3	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-56.7	-52.5	172.4	58	0	0	0	0	112.3	K150 F154 K155 E156 D175	K150-S152 PolarHBondContact O-N 3.34Å; S152-F154 VanDerWaalsContact C-N 3.28Å; S152-F154 PolarHBondContact O-N 3.48Å; S152-K155 PolarHBondContact O-N 3.16Å; S152-K155 VanDerWaalsContact O-N 3.13Å; S152-E156 WeakPolarHBondContact O-CG 3.26Å; S152-E156 PolarHBondContact O-N 3.43Å; S152-D175 VanDerWaalsContact CB-OD2 3.26Å; S152-D175 WeakPolarHBondContact CB-OD2 3.36Å; S152-D175 PolarHBondContact N-OD1 3.43Å; S152-D175 PolarHBondContact OG-OD1 3.07Å; S152-D175 PolarHBondContact OG-OD2 3.17Å
153	T	82.2	Confident	81.2	Confident	29 Å²	29	51 Å²	51	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-38.9	178.2	-60.6	0	0	0	0	111.5	E128 M149 K150 E156 L157	E128-T153 HydrophobicContact CB-CG2 4.35Å; E128-T153 PolarHBondContact OE2-OG1 2.83Å; M149-T153 HydrophobicContact CG-CG2 4.26Å; K150-T153 PolarHBondContact O-N 3.4Å; K150-T153 VanDerWaalsContact O-N 3.16Å; T153-E156 PolarHBondContact O-N 2.87Å; T153-L157 PolarHBondContact O-N 2.79Å
154	F	83.3	Confident	81.4	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-48.6	174.3	-155	-61.7	0	0	0	111.6	L143 M149 K150 L151 S152 E156 L157 L169 F183 L187 Y190 F191	L143-F154 HydrophobicContact CD1-CD2 4.03Å; L143-F154 HydrophobicContact CD1-CE2 3.6Å; M149-F154 HydrophobicContact CE-CD2 4.13Å; M149-F154 VanDerWaalsContact SD-CA 3.56Å; M149-F154 HydrophobicContact SD-CB 3.43Å; M149-F154 WeakPolarHBondContact SD-CB 3.16Å; M149-F154 HydrophobicContact SD-CD2 3.24Å; M149-F154 WeakPolarHBondContact SD-CD2 3.16Å; M149-F154 HydrophobicContact SD-CE2 4.22Å; M149-F154 HydrophobicContact SD-CG 3.62Å; K150-F154 PolarHBondContact O-N 3.29Å; L151-F154 PolarHBondContact O-N 3.4Å; S152-F154 VanDerWaalsContact C-N 3.28Å; S152-F154 PolarHBondContact O-N 3.48Å; F154-E156 PolarHBondContact O-N 2.82Å; F154-L157 HydrophobicContact CD1-CD1 3.86Å; F154-L157 HydrophobicContact CE1-CD1 4.11Å; F154-L157 HydrophobicContact CG-CD1 4.1Å; F154-L157 WeakPolarHBondContact O-CB 3.42Å; F154-L157 VanDerWaalsContact O-CG 3.28Å; F154-L157 WeakPolarHBondContact O-CG 3.07Å; F154-L157 PolarHBondContact O-N 3.37Å; F154-L157 VanDerWaalsContact O-N 3.16Å; F154-L169 HydrophobicContact CE2-CD2 4.26Å; F154-F183 HydrophobicContact CB-CE2 4.04Å; F154-F183 AromaticContact CD1-CE2 3.51Å; F154-F183 HydrophobicContact CD1-CE2 3.51Å; F154-F183 HydrophobicContact CD1-CZ 4.02Å; F154-F183 HydrophobicContact CD2-CE2 4.24Å; F154-F183 HydrophobicContact CD2-CZ 4.18Å; F154-F183 AromaticContact CE1-CE2 3.96Å; F154-F183 HydrophobicContact CE1-CE2 3.96Å; F154-F183 HydrophobicContact CE1-CZ 4.09Å; F154-F183 HydrophobicContact CE2-CZ 4.25Å; F154-F183 AromaticContact CG-CE2 3.68Å; F154-F183 HydrophobicContact CG-CE2 3.68Å; F154-F183 HydrophobicContact CG-CZ 4.08Å; F154-F183 HydrophobicContact CZ-CE2 4.48Å; F154-F183 HydrophobicContact CZ-CZ 4.18Å; F154-L187 HydrophobicContact CE1-CD2 3.57Å; F154-L187 HydrophobicContact CZ-CD2 3.62Å; F154-Y190 HydrophobicContact CD1-CD2 4.28Å; F154-Y190 HydrophobicContact CD1-CE2 4.29Å; F154-Y190 AromaticContact CE1-CD2 3.83Å; F154-Y190 HydrophobicContact CE1-CD2 3.83Å; F154-Y190 HydrophobicContact CE1-CE2 4.28Å; F154-F191 AromaticContact CE1-CE2 3.89Å; F154-F191 HydrophobicContact CE1-CE2 3.89Å; F154-F191 HydrophobicContact CE1-CZ 4.44Å; F154-F191 AromaticContact CZ-CE2 3.5Å; F154-F191 HydrophobicContact CZ-CE2 3.5Å; F154-F191 AromaticContact CZ-CZ 3.86Å; F154-F191 HydrophobicContact CZ-CZ 3.86Å
155	K	83.8	Confident	81.8	Confident	70 Å²	70	52.2 Å²	52.2	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-22.9	179.6	-75.3	-175	174.3	-173.7	0	112.1	L151 S152 D180 F183 Y190	L151-K155 HydrophobicContact CG-CD 4.48Å; L151-K155 WeakPolarHBondContact O-CG 3.42Å; L151-K155 PolarHBondContact O-N 2.61Å; S152-K155 PolarHBondContact O-N 3.16Å; S152-K155 VanDerWaalsContact O-N 3.13Å; K155-D180 IonicContact NZ-OD1 2.65Å; K155-D180 PolarHBondContact NZ-OD1 3.09Å; K155-D180 VanDerWaalsContact NZ-OD1 3.16Å; K155-D180 IonicContact NZ-OD2 3.18Å; K155-D180 PolarHBondContact NZ-OD2 3.19Å; K155-F183 HydrophobicContact CG-CD2 4.14Å; K155-Y190 PolarHBondContact O-OH 2.72Å
156	E	83	Confident	82.6	Confident	149 Å²	149	52 Å²	52	70%	0.696	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	3.7	178.8	-67.5	-173.9	-175.3	0	0	115	S152 T153 F154 R158	S152-E156 WeakPolarHBondContact O-CG 3.26Å; S152-E156 PolarHBondContact O-N 3.43Å; T153-E156 PolarHBondContact O-N 2.87Å; F154-E156 PolarHBondContact O-N 2.82Å; E156-R158 PolarHBondContact O-N 3.35Å; E156-R158 VanDerWaalsContact O-N 3.15Å
157	L	81.2	Confident	83.9	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.063	23%	0.229	C	C	.	.			trans	-54	123.8	179.7	-73.7	173	0	0	0	111.3	F131 M149 T153 F154 Y190	F131-L157 HydrophobicContact CB-CD2 3.97Å; M149-L157 HydrophobicContact CE-CD1 4.33Å; M149-L157 HydrophobicContact CE-CD2 4.49Å; T153-L157 PolarHBondContact O-N 2.79Å; F154-L157 HydrophobicContact CD1-CD1 3.86Å; F154-L157 HydrophobicContact CE1-CD1 4.11Å; F154-L157 HydrophobicContact CG-CD1 4.1Å; F154-L157 WeakPolarHBondContact O-CB 3.42Å; F154-L157 VanDerWaalsContact O-CG 3.28Å; F154-L157 WeakPolarHBondContact O-CG 3.07Å; F154-L157 PolarHBondContact O-N 3.37Å; F154-L157 VanDerWaalsContact O-N 3.16Å; L157-Y190 HydrophobicContact CB-CD1 3.99Å; L157-Y190 HydrophobicContact CB-CE1 3.83Å; L157-Y190 VanDerWaalsContact O-CE1 3.29Å; L157-Y190 WeakPolarHBondContact O-CE1 3.49Å
158	R	79.7	Confident	85.2	Confident	240 Å²	240	41.3 Å²	41.3	91%	0.906	20%	0.2	S	C	*	.			trans	-93.3	-7.5	177.4	-60.7	-174.1	-178.1	-174.9	1.1	113	E156	E156-R158 PolarHBondContact O-N 3.35Å; E156-R158 VanDerWaalsContact O-N 3.15Å
159	V	81.1	Confident	86.3	Confident	20 Å²	20	41.1 Å²	41.1	12%	0.121	20%	0.198	C	C	.	.			trans	-104.6	137.3	-174.7	-177.1	0	0	0	0	109.3	R135	R135-V159 HydrophobicContact CG-CG1 4.05Å
160	V	86.5	Confident	86.9	Confident	67 Å²	67	41 Å²	41	41%	0.406	20%	0.197	S	C	.	.			trans	-98.6	123	170.9	-174.5	0	0	0	0	108.3	N162 Y190 P192	V160-N162 WeakPolarHBondContact CG1-OD1 3.43Å; V160-N162 PolarHBondContact O-N 2.76Å; V160-Y190 WeakPolarHBondContact CG1-O 3.35Å; V160-P192 HydrophobicContact CG1-CG 3.85Å
161	M	87.6	Confident	87	Confident	10 Å²	10	40 Å²	40	5%	0.049	19%	0.194	C	C	.	.			trans	-94.7	70.2	-179.8	-60.7	-171.4	-170.1	0	0	110.3	L141 C163 V164 Y190 F191	L141-M161 HydrophobicContact CD2-SD 3.91Å; M161-C163 PolarHBondContact O-N 3.34Å; M161-C163 VanDerWaalsContact O-N 3.1Å; M161-V164 HydrophobicContact CB-CG2 3.76Å; M161-V164 PolarHBondContact O-N 2.96Å; M161-V164 HydrophobicContact SD-CG2 4.49Å; M161-Y190 PolarHBondContact N-O 3.11Å; M161-F191 HydrophobicContact CB-CD1 3.85Å; M161-F191 HydrophobicContact CB-CE1 3.8Å; M161-F191 HydrophobicContact CG-CE1 4.13Å; M161-F191 HydrophobicContact SD-CE1 3.72Å; M161-F191 HydrophobicContact SD-CZ 4.4Å
162	N	88.5	Confident	86.9	Confident	83 Å²	83	40.8 Å²	40.8	44%	0.444	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21	-174	-72.5	-35.3	0	0	0	114.9	V160 P192 N193	V160-N162 WeakPolarHBondContact CG1-OD1 3.43Å; V160-N162 PolarHBondContact O-N 2.76Å; N162-P192 WeakPolarHBondContact OD1-CG 3.44Å; N162-N193 WeakPolarHBondContact O-CB 3.32Å; N162-N193 PolarHBondContact O-ND2 3.28Å
163	C	89.7	Confident	86.7	Confident	50 Å²	50	42.1 Å²	42.1	34%	0.338	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-15.8	-177.5	-65.1	0	0	0	0	113.1	Q137 L138 R139 M161 E165	Q137-C163 HydrophobicContact CB-CB 4.41Å; L138-C163 CarbonylContact O-C 3.57Å; L138-C163 WeakPolarHBondContact O-CB 3.45Å; L138-C163 VanDerWaalsContact O-O 3.1Å; R139-C163 WeakPolarHBondContact CA-O 3.09Å; M161-C163 PolarHBondContact O-N 3.34Å; M161-C163 VanDerWaalsContact O-N 3.1Å; C163-E165 PolarHBondContact O-N 2.88Å
164	V	91.1	Very high	86.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.			trans	-71.2	114.5	-173.7	175.4	0	0	0	0	109.5	L138 R139 L141 M161 L166 F191 N193 M194	L138-V164 HydrophobicContact CB-CG2 4.37Å; L138-V164 VanDerWaalsContact O-CA 3.3Å; L138-V164 WeakPolarHBondContact O-CA 3.31Å; L138-V164 WeakPolarHBondContact O-CG2 3.43Å; L138-V164 PolarHBondContact O-N 3.35Å; L138-V164 VanDerWaalsContact O-N 3.07Å; R139-V164 CarbonylContact O-C 3.55Å; R139-V164 WeakPolarHBondContact O-CA 3.36Å; L141-V164 HydrophobicContact CB-CG1 4.33Å; L141-V164 HydrophobicContact CB-CG2 4.42Å; M161-V164 HydrophobicContact CB-CG2 3.76Å; M161-V164 PolarHBondContact O-N 2.96Å; M161-V164 HydrophobicContact SD-CG2 4.49Å; V164-L166 VanDerWaalsContact CG1-O 3.26Å; V164-L166 WeakPolarHBondContact CG1-O 3.44Å; V164-F191 HydrophobicContact CB-CD1 3.75Å; V164-F191 HydrophobicContact CB-CE1 4.44Å; V164-F191 HydrophobicContact CG1-CD1 3.82Å; V164-F191 HydrophobicContact CG1-CE1 4.39Å; V164-F191 HydrophobicContact CG2-CD1 3.99Å; V164-F191 HydrophobicContact CG2-CE1 4.24Å; V164-N193 CarbonylContact O-C 3.51Å; V164-M194 WeakPolarHBondContact O-CA 3.4Å; V164-M194 PolarHBondContact O-N 2.9Å
165	E	93.2	Very high	86.5	Confident	37 Å²	37	45.9 Å²	45.9	17%	0.173	23%	0.225	C	C	.	.	S	Bend	trans	-95.7	-34.8	174.7	-58.2	-169.5	124.2	0	0	111.3	R139 C163 K195 Y196	R139-E165 IonicContact CZ-OE2 2.8Å; R139-E165 IonicContact NE-OE2 3.54Å; R139-E165 PolarHBondContact NE-OE2 3.46Å; R139-E165 VanDerWaalsContact NE-OE2 3.09Å; R139-E165 IonicContact NH2-OE2 2.81Å; R139-E165 PolarHBondContact NH2-OE2 3.4Å; R139-E165 PolarHBondContact O-N 2.87Å; C163-E165 PolarHBondContact O-N 2.88Å; E165-K195 PolarHBondContact O-N 2.73Å; E165-K195 IonicContact OE1-NZ 3.75Å; E165-K195 PolarHBondContact OE1-NZ 2.91Å; E165-Y196 HydrophobicContact CB-CD2 4.42Å; E165-Y196 WeakPolarHBondContact O-CD2 3.42Å; E165-Y196 PolarHBondContact O-N 3.32Å
166	L	93.7	Very high	86.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.4	171.5	176.1	139.1	0	0	0	111.6	R139 F140 L141 V164 A168 Y196 F232 L309 F312 I316	R139-L166 PolarHBondContact O-N 2.83Å; R139-L166 VanDerWaalsContact O-N 3.11Å; F140-L166 WeakPolarHBondContact CA-O 3.27Å; F140-L166 HydrophobicContact CB-CB 4.46Å; F140-L166 HydrophobicContact CB-CD2 4.26Å; F140-L166 HydrophobicContact CD1-CB 3.63Å; F140-L166 HydrophobicContact CE1-CB 4.3Å; F140-L166 HydrophobicContact CG-CB 4.26Å; L141-L166 PolarHBondContact N-O 3.24Å; V164-L166 VanDerWaalsContact CG1-O 3.26Å; V164-L166 WeakPolarHBondContact CG1-O 3.44Å; L166-A168 HydrophobicContact CD2-CB 4.13Å; L166-Y196 VanDerWaalsContact CA-O 3.3Å; L166-Y196 WeakPolarHBondContact CA-O 3.3Å; L166-Y196 HydrophobicContact CB-CD2 4.28Å; L166-F232 HydrophobicContact CD1-CZ 4.49Å; L166-L309 HydrophobicContact CD2-CD2 3.78Å; L166-F312 HydrophobicContact CD1-CB 3.8Å; L166-F312 HydrophobicContact CD1-CD1 3.78Å; L166-F312 HydrophobicContact CD1-CG 3.89Å; L166-F312 HydrophobicContact CD2-CB 4.15Å; L166-F312 HydrophobicContact CD2-CD2 4.5Å; L166-F312 HydrophobicContact CD2-CG 4.25Å; L166-I316 HydrophobicContact CB-CD1 3.52Å; L166-I316 HydrophobicContact CD1-CD1 3.26Å; L166-I316 HydrophobicContact CD1-CG1 4.45Å; L166-I316 HydrophobicContact CG-CD1 3.96Å
167	L	93.8	Very high	86.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.2	162.8	-176.7	64.1	0	0	0	109.1	L141 L169 L187 F191 M194 Y196 F197 F198	L141-L167 HydrophobicContact CB-CD1 4.31Å; L141-L167 HydrophobicContact CD2-CD1 4.08Å; L141-L167 HydrophobicContact CG-CD1 4.22Å; L141-L167 CarbonylContact O-C 3.55Å; L141-L167 WeakPolarHBondContact O-CA 3.48Å; L167-L169 HydrophobicContact CD1-CD2 3.98Å; L167-L169 HydrophobicContact CD1-CG 4.46Å; L167-L169 HydrophobicContact CD2-CD1 4.2Å; L167-L169 HydrophobicContact CD2-CD2 4.25Å; L167-L169 HydrophobicContact CD2-CG 4.08Å; L167-L169 HydrophobicContact CG-CD2 4.11Å; L167-L169 HydrophobicContact CG-CG 4.04Å; L167-L187 HydrophobicContact CD2-CD2 4.3Å; L167-F191 HydrophobicContact CD1-CE1 4.5Å; L167-F191 HydrophobicContact CD1-CZ 4.3Å; L167-F191 HydrophobicContact CD2-CD2 3.94Å; L167-F191 HydrophobicContact CD2-CE2 3.91Å; L167-F191 HydrophobicContact CD2-CZ 4.41Å; L167-M194 HydrophobicContact CB-SD 3.55Å; L167-M194 VanDerWaalsContact CB-SD 3.55Å; L167-M194 HydrophobicContact CD2-SD 4.19Å; L167-Y196 PolarHBondContact N-O 2.83Å; L167-Y196 VanDerWaalsContact N-O 3.11Å; L167-F197 HydrophobicContact CB-CD2 4.05Å; L167-F197 HydrophobicContact CD2-CD2 4.2Å; L167-F197 HydrophobicContact CD2-CE2 3.94Å; L167-F197 HydrophobicContact CG-CD2 4.2Å; L167-F197 HydrophobicContact CG-CE2 4.15Å; L167-F197 WeakPolarHBondContact O-CA 3.28Å; L167-F197 WeakPolarHBondContact O-CD2 3.49Å; L167-F198 PolarHBondContact O-N 2.9Å
168	A	93.5	Very high	86	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.2	167	0	0	0	0	0	109.2	L141 R142 L143 L166 F198 F312	L141-A168 PolarHBondContact O-N 3.09Å; R142-A168 WeakPolarHBondContact CA-O 3.37Å; R142-A168 HydrophobicContact CB-CB 4.15Å; R142-A168 HydrophobicContact CG-CB 4.09Å; L143-A168 PolarHBondContact N-O 3.11Å; L166-A168 HydrophobicContact CD2-CB 4.13Å; A168-F198 CarbonylContact C-O 3.58Å; A168-F198 WeakPolarHBondContact CA-O 3.49Å; A168-F198 HydrophobicContact CB-CB 4.2Å; A168-F312 HydrophobicContact CB-CD2 4.15Å; A168-F312 HydrophobicContact CB-CE2 3.7Å; A168-F312 HydrophobicContact CB-CZ 4.15Å
169	L	91.6	Very high	86.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.7	171.3	-60.6	-179.2	0	0	0	107	L143 F154 L167 L172 F183 L187 F197 F198 L199 D200 I203	L143-L169 HydrophobicContact CB-CD2 3.99Å; L143-L169 HydrophobicContact CD1-CD2 3.74Å; L143-L169 HydrophobicContact CG-CD2 4.05Å; F154-L169 HydrophobicContact CE2-CD2 4.26Å; L167-L169 HydrophobicContact CD1-CD2 3.98Å; L167-L169 HydrophobicContact CD1-CG 4.46Å; L167-L169 HydrophobicContact CD2-CD1 4.2Å; L167-L169 HydrophobicContact CD2-CD2 4.25Å; L167-L169 HydrophobicContact CD2-CG 4.08Å; L167-L169 HydrophobicContact CG-CD2 4.11Å; L167-L169 HydrophobicContact CG-CG 4.04Å; L169-L172 HydrophobicContact CD1-CD1 4.46Å; L169-L172 HydrophobicContact CD2-CD2 4.46Å; L169-F183 HydrophobicContact CD1-CE1 4.03Å; L169-F183 HydrophobicContact CD1-CZ 4.27Å; L169-L187 HydrophobicContact CD1-CD1 4.41Å; L169-F197 HydrophobicContact CB-CE2 4.35Å; L169-F197 HydrophobicContact CD1-CE2 3.85Å; L169-F197 HydrophobicContact CD1-CZ 3.9Å; L169-F197 HydrophobicContact CG-CE2 3.89Å; L169-F197 HydrophobicContact CG-CZ 4.42Å; L169-F198 PolarHBondContact N-O 3.5Å; L169-L199 HydrophobicContact CB-CD1 3.99Å; L169-L199 CarbonylContact O-C 3.5Å; L169-L199 WeakPolarHBondContact O-CA 3.46Å; L169-D200 PolarHBondContact O-N 3.36Å; L169-I203 HydrophobicContact CB-CD1 3.64Å; L169-I203 WeakPolarHBondContact O-CD1 3.43Å
170	Q	89.6	Confident	86.7	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.014	21%	0.211	C	C	.	.			trans	-117.7	-30.5	178.9	-73.8	168.1	-68.8	0	0	113.8	L143 F198 D200 I203 P307	L143-Q170 PolarHBondContact O-N 2.66Å; Q170-F198 HydrophobicContact CG-CD1 4.15Å; Q170-F198 HydrophobicContact CG-CE1 4.08Å; Q170-D200 HydrophobicContact CB-CB 4.1Å; Q170-D200 HydrophobicContact CG-CB 4.08Å; Q170-D200 WeakPolarHBondContact O-CB 3.38Å; Q170-I203 WeakPolarHBondContact O-CG1 3.46Å; Q170-P307 PolarHBondContact NE2-O 3.03Å; Q170-P307 PolarHBondContact OE1-O 2.89Å
171	E	84.1	Confident	86.9	Confident	45 Å²	45	33.8 Å²	33.8	21%	0.21	20%	0.201	C	C	.	.			trans	-147.5	144	170.3	-61.7	172.2	168.4	0	0	107.6	G145 A148 R306	G145-E171 WeakPolarHBondContact CA-OE2 3.35Å; G145-E171 PolarHBondContact N-OE2 3.12Å; G145-E171 VanDerWaalsContact O-CB 3.28Å; G145-E171 WeakPolarHBondContact O-CB 3.45Å; A148-E171 WeakPolarHBondContact CB-O 3.3Å; E171-R306 IonicContact OE1-CZ 3.06Å; E171-R306 IonicContact OE1-NH1 2.61Å; E171-R306 IonicContact OE1-NH2 3.05Å; E171-R306 PolarHBondContact OE1-NH2 2.8Å
172	L	82.9	Confident	87	Confident	17 Å²	17	39.3 Å²	39.3	9%	0.089	23%	0.231	C	C	.	.			trans	-138.5	148.5	174.9	-72.5	178.8	0	0	0	108.6	L143 L169 C174 V179 F183 I203	L143-L172 HydrophobicContact CB-CD2 4.26Å; L143-L172 HydrophobicContact CD1-CD2 4.19Å; L169-L172 HydrophobicContact CD1-CD1 4.46Å; L169-L172 HydrophobicContact CD2-CD2 4.46Å; L172-C174 PolarHBondContact O-N 2.9Å; L172-V179 HydrophobicContact CD1-CG2 4.17Å; L172-F183 HydrophobicContact CD1-CE1 4.29Å; L172-F183 HydrophobicContact CD1-CZ 3.96Å; L172-I203 HydrophobicContact CB-CG2 4.21Å; L172-I203 HydrophobicContact CD1-CG2 3.98Å; L172-I203 HydrophobicContact CG-CG2 4.25Å
173	D	80.9	Confident	87.2	Confident	52 Å²	52	35.4 Å²	35.4	28%	0.278	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-78.7	101	169.3	-179.7	2	0	0	0	108.5	A148 M149 K150 L151 D175	A148-D173 WeakPolarHBondContact O-CB 3.4Å; M149-D173 PolarHBondContact O-N 3.05Å; K150-D173 CarbonylContact C-O 3.49Å; K150-D173 VanDerWaalsContact CA-O 3.32Å; K150-D173 WeakPolarHBondContact CA-O 3.02Å; K150-D173 WeakPolarHBondContact CE-OD2 3.46Å; K150-D173 HydrophobicContact CG-CB 3.99Å; K150-D173 WeakPolarHBondContact CG-OD2 3.44Å; L151-D173 PolarHBondContact N-O 3.2Å; D173-D175 PolarHBondContact O-N 3.41Å; D173-D175 PolarHBondContact OD1-N 2.82Å
174	C	80.3	Confident	87.3	Confident	41 Å²	41	33 Å²	33	28%	0.277	19%	0.194	S	C	.	.			trans	-79.5	53	-177.4	-83.1	0	0	0	0	111.7	L172 L176 G177	L172-C174 PolarHBondContact O-N 2.9Å; C174-L176 PolarHBondContact O-N 2.9Å; C174-L176 VanDerWaalsContact O-N 3.16Å; C174-G177 CarbonylContact C-O 3.59Å; C174-G177 WeakPolarHBondContact CA-O 3.38Å; C174-G177 WeakPolarHBondContact CB-O 3.33Å; C174-G177 PolarHBondContact O-N 3.42Å
175	D	81.4	Confident	87.2	Confident	67 Å²	67	36.6 Å²	36.6	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-175.9	71.1	-42	0	0	0	114.2	K150 L151 S152 D173	K150-D175 HydrophobicContact CD-CB 4.29Å; K150-D175 HydrophobicContact CG-CB 4.27Å; L151-D175 PolarHBondContact N-OD1 3.03Å; S152-D175 VanDerWaalsContact CB-OD2 3.26Å; S152-D175 WeakPolarHBondContact CB-OD2 3.36Å; S152-D175 PolarHBondContact N-OD1 3.43Å; S152-D175 PolarHBondContact OG-OD1 3.07Å; S152-D175 PolarHBondContact OG-OD2 3.17Å; D173-D175 PolarHBondContact O-N 3.41Å; D173-D175 PolarHBondContact OD1-N 2.82Å
176	L	77.5	Confident	87	Confident	115 Å²	115	36.2 Å²	36.2	60%	0.602	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	16.4	175.4	-64.3	180	0	0	0	113.6	C174	C174-L176 PolarHBondContact O-N 2.9Å; C174-L176 VanDerWaalsContact O-N 3.16Å
177	G	79.8	Confident	87	Confident	40 Å²	40	36.2 Å²	36.2	41%	0.412	22%	0.215	S	C	.	.	S	Bend	trans	94.7	-162.9	-170.4	0	0	0	0	0	111.9	C174	C174-G177 CarbonylContact C-O 3.59Å; C174-G177 WeakPolarHBondContact CA-O 3.38Å; C174-G177 WeakPolarHBondContact CB-O 3.33Å; C174-G177 PolarHBondContact O-N 3.42Å
178	S	80.3	Confident	87	Confident	69 Å²	69	36.7 Å²	36.7	48%	0.483	22%	0.219	S	C	.	.	S	Bend	trans	-72.3	156.1	-174.4	52.8	0	0	0	0	113.3	D180 V204	S178-D180 PolarHBondContact O-N 2.69Å; S178-V204 WeakPolarHBondContact CB-O 3.11Å
179	V	86.2	Confident	86.8	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.252	C	S	.	.			trans	-59.8	127.5	165	163.7	0	0	0	0	109.9	L151 L172 F183 L184 I203 V204	L151-V179 HydrophobicContact CD1-CG2 4.05Å; L151-V179 HydrophobicContact CD2-CG2 4.36Å; L172-V179 HydrophobicContact CD1-CG2 4.17Å; V179-F183 HydrophobicContact CB-CD1 4.35Å; V179-F183 HydrophobicContact CG1-CB 4.38Å; V179-F183 HydrophobicContact CG1-CD1 3.47Å; V179-F183 VanDerWaalsContact CG1-CD1 3.47Å; V179-F183 HydrophobicContact CG1-CE1 4.12Å; V179-F183 HydrophobicContact CG1-CG 4.25Å; V179-F183 HydrophobicContact CG2-CD1 4.03Å; V179-F183 HydrophobicContact CG2-CE1 4.15Å; V179-L184 HydrophobicContact CG1-CD2 4.21Å; V179-L184 HydrophobicContact CG1-CG 4.12Å; V179-I203 HydrophobicContact CB-CG2 4Å; V179-I203 HydrophobicContact CG2-CG2 3.37Å; V179-V204 HydrophobicContact CB-CG2 4.34Å; V179-V204 HydrophobicContact CG1-CG2 4.21Å
180	D	89.1	Confident	86.7	Confident	54 Å²	54	45.8 Å²	45.8	29%	0.289	25%	0.254	S	S	.	.			trans	-112.4	172.6	-176.4	54.2	16.8	0	0	0	112.1	K155 S178 D182 F183 L184	K155-D180 IonicContact NZ-OD1 2.65Å; K155-D180 PolarHBondContact NZ-OD1 3.09Å; K155-D180 VanDerWaalsContact NZ-OD1 3.16Å; K155-D180 IonicContact NZ-OD2 3.18Å; K155-D180 PolarHBondContact NZ-OD2 3.19Å; S178-D180 PolarHBondContact O-N 2.69Å; D180-D182 VanDerWaalsContact C-N 3.27Å; D180-D182 PolarHBondContact O-N 2.62Å; D180-F183 PolarHBondContact O-N 2.83Å; D180-F183 WeakPolarHBondContact OD1-CB 2.92Å; D180-F183 PolarHBondContact OD1-N 3.04Å; D180-L184 PolarHBondContact O-N 3.31Å
181	A	91.1	Very high	86.9	Confident	25 Å²	25	45.7 Å²	45.7	21%	0.207	25%	0.254	C	S	.	.	H	α-helix	trans	-57.7	-40.1	175.9	0	0	0	0	0	112.1	F183 L184 D185 D216 A220	A181-F183 PolarHBondContact O-N 3.37Å; A181-L184 PolarHBondContact O-N 3.4Å; A181-D185 PolarHBondContact O-N 3.12Å; A181-D216 HydrophobicContact CB-CB 4.15Å; A181-D216 WeakPolarHBondContact CB-O 3.45Å; A181-A220 HydrophobicContact CB-CB 3.87Å; A181-A220 WeakPolarHBondContact O-CB 3.39Å
182	D	89.8	Confident	87.3	Confident	127 Å²	127	45.9 Å²	45.9	68%	0.679	26%	0.258	S	S	*	.	H	α-helix	trans	-61.6	-42.7	179.1	-75.8	-11.2	0	0	0	112.1	D180 L184 S186	D180-D182 VanDerWaalsContact C-N 3.27Å; D180-D182 PolarHBondContact O-N 2.62Å; D182-L184 PolarHBondContact O-N 3.33Å; D182-S186 WeakPolarHBondContact O-CB 3.37Å; D182-S186 PolarHBondContact O-N 3.37Å
183	F	91	Very high	87.8	Confident	1 Å²	1	49.5 Å²	49.5	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-58.5	-48.5	173.9	173.1	-100	0	0	0	111.2	L151 F154 K155 L169 L172 V179 D180 A181 D185 S186 L187	L151-F183 HydrophobicContact CD1-CB 4.49Å; L151-F183 HydrophobicContact CD1-CD1 4.41Å; L151-F183 HydrophobicContact CD1-CD2 3.28Å; L151-F183 HydrophobicContact CD1-CE1 4.49Å; L151-F183 HydrophobicContact CD1-CE2 3.38Å; L151-F183 HydrophobicContact CD1-CG 3.81Å; L151-F183 HydrophobicContact CD1-CZ 4.01Å; F154-F183 HydrophobicContact CB-CE2 4.04Å; F154-F183 AromaticContact CD1-CE2 3.51Å; F154-F183 HydrophobicContact CD1-CE2 3.51Å; F154-F183 HydrophobicContact CD1-CZ 4.02Å; F154-F183 HydrophobicContact CD2-CE2 4.24Å; F154-F183 HydrophobicContact CD2-CZ 4.18Å; F154-F183 AromaticContact CE1-CE2 3.96Å; F154-F183 HydrophobicContact CE1-CE2 3.96Å; F154-F183 HydrophobicContact CE1-CZ 4.09Å; F154-F183 HydrophobicContact CE2-CZ 4.25Å; F154-F183 AromaticContact CG-CE2 3.68Å; F154-F183 HydrophobicContact CG-CE2 3.68Å; F154-F183 HydrophobicContact CG-CZ 4.08Å; F154-F183 HydrophobicContact CZ-CE2 4.48Å; F154-F183 HydrophobicContact CZ-CZ 4.18Å; K155-F183 HydrophobicContact CG-CD2 4.14Å; L169-F183 HydrophobicContact CD1-CE1 4.03Å; L169-F183 HydrophobicContact CD1-CZ 4.27Å; L172-F183 HydrophobicContact CD1-CE1 4.29Å; L172-F183 HydrophobicContact CD1-CZ 3.96Å; V179-F183 HydrophobicContact CB-CD1 4.35Å; V179-F183 HydrophobicContact CG1-CB 4.38Å; V179-F183 HydrophobicContact CG1-CD1 3.47Å; V179-F183 VanDerWaalsContact CG1-CD1 3.47Å; V179-F183 HydrophobicContact CG1-CE1 4.12Å; V179-F183 HydrophobicContact CG1-CG 4.25Å; V179-F183 HydrophobicContact CG2-CD1 4.03Å; V179-F183 HydrophobicContact CG2-CE1 4.15Å; D180-F183 PolarHBondContact O-N 2.83Å; D180-F183 WeakPolarHBondContact OD1-CB 2.92Å; D180-F183 PolarHBondContact OD1-N 3.04Å; A181-F183 PolarHBondContact O-N 3.37Å; F183-D185 PolarHBondContact O-N 3.29Å; F183-S186 WeakPolarHBondContact O-CB 2.88Å; F183-S186 PolarHBondContact O-N 3.35Å; F183-S186 VanDerWaalsContact O-N 3.14Å; F183-S186 PolarHBondContact O-OG 3.41Å; F183-L187 HydrophobicContact CE1-CD1 4.47Å; F183-L187 HydrophobicContact CE1-CD2 4.04Å; F183-L187 HydrophobicContact CE1-CG 4.43Å; F183-L187 HydrophobicContact CE2-CD2 4.42Å; F183-L187 HydrophobicContact CZ-CD2 3.89Å; F183-L187 PolarHBondContact O-N 3.15Å
184	L	92.5	Very high	88.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-40.4	-177.5	-66.9	176.8	0	0	0	112.5	V179 D180 A181 D182 S186 L187 F197 I217 A220 V221	V179-L184 HydrophobicContact CG1-CD2 4.21Å; V179-L184 HydrophobicContact CG1-CG 4.12Å; D180-L184 PolarHBondContact O-N 3.31Å; A181-L184 PolarHBondContact O-N 3.4Å; D182-L184 PolarHBondContact O-N 3.33Å; L184-S186 PolarHBondContact O-N 3.05Å; L184-L187 HydrophobicContact CD2-CD1 3.84Å; L184-L187 WeakPolarHBondContact O-CB 3.08Å; L184-L187 PolarHBondContact O-N 3.47Å; L184-F197 HydrophobicContact CD2-CE1 4.31Å; L184-F197 HydrophobicContact CD2-CZ 4.34Å; L184-I217 HydrophobicContact CD1-CG2 3.7Å; L184-A220 HydrophobicContact CB-CB 4.05Å; L184-V221 HydrophobicContact CD1-CG2 3.8Å
185	D	88.8	Confident	89.2	Confident	74 Å²	74	49.2 Å²	49.2	40%	0.396	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-31	174.8	-175	46.5	0	0	0	112.1	A181 F183 L187 K227	A181-D185 PolarHBondContact O-N 3.12Å; F183-D185 PolarHBondContact O-N 3.29Å; D185-L187 VanDerWaalsContact C-N 3.28Å; D185-L187 PolarHBondContact O-N 3.21Å; D185-K227 PolarHBondContact O-NZ 2.7Å; D185-K227 IonicContact OD1-NZ 3.94Å; D185-K227 PolarHBondContact OD1-NZ 2.88Å; D185-K227 IonicContact OD2-NZ 3.74Å
186	S	90.4	Very high	89.9	Confident	30 Å²	30	46.7 Å²	46.7	21%	0.21	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-23.9	177	86.2	0	0	0	0	113.6	D182 F183 L184 G188 R189 Y190	D182-S186 WeakPolarHBondContact O-CB 3.37Å; D182-S186 PolarHBondContact O-N 3.37Å; F183-S186 WeakPolarHBondContact O-CB 2.88Å; F183-S186 PolarHBondContact O-N 3.35Å; F183-S186 VanDerWaalsContact O-N 3.14Å; F183-S186 PolarHBondContact O-OG 3.41Å; L184-S186 PolarHBondContact O-N 3.05Å; S186-G188 PolarHBondContact O-N 3.49Å; S186-G188 VanDerWaalsContact O-N 3.13Å; S186-R189 WeakPolarHBondContact O-CB 3.45Å; S186-R189 PolarHBondContact O-N 3.18Å; S186-Y190 WeakPolarHBondContact O-CD2 3.45Å
187	L	93	Very high	90.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-36.4	-177.6	-68.6	179	0	0	0	112.8	F154 L167 L169 F183 L184 D185 R189 Y190 F191 F197 L224	F154-L187 HydrophobicContact CE1-CD2 3.57Å; F154-L187 HydrophobicContact CZ-CD2 3.62Å; L167-L187 HydrophobicContact CD2-CD2 4.3Å; L169-L187 HydrophobicContact CD1-CD1 4.41Å; F183-L187 HydrophobicContact CE1-CD1 4.47Å; F183-L187 HydrophobicContact CE1-CD2 4.04Å; F183-L187 HydrophobicContact CE1-CG 4.43Å; F183-L187 HydrophobicContact CE2-CD2 4.42Å; F183-L187 HydrophobicContact CZ-CD2 3.89Å; F183-L187 PolarHBondContact O-N 3.15Å; L184-L187 HydrophobicContact CD2-CD1 3.84Å; L184-L187 WeakPolarHBondContact O-CB 3.08Å; L184-L187 PolarHBondContact O-N 3.47Å; D185-L187 VanDerWaalsContact C-N 3.28Å; D185-L187 PolarHBondContact O-N 3.21Å; L187-R189 PolarHBondContact O-N 3.29Å; L187-R189 VanDerWaalsContact O-N 3.17Å; L187-Y190 PolarHBondContact O-N 3.02Å; L187-F191 HydrophobicContact CD2-CE2 4.3Å; L187-F191 WeakPolarHBondContact O-CD2 3.15Å; L187-F191 PolarHBondContact O-N 3.21Å; L187-F197 HydrophobicContact CD1-CE1 3.68Å; L187-F197 HydrophobicContact CD1-CE2 4.27Å; L187-F197 HydrophobicContact CD1-CZ 3.52Å; L187-L224 HydrophobicContact CB-CD1 4.43Å; L187-L224 HydrophobicContact CB-CD2 4.23Å; L187-L224 HydrophobicContact CD1-CD2 4.12Å
188	G	92.4	Very high	91.6	Very high	9 Å²	9	39.3 Å²	39.3	9%	0.093	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-19.1	178.5	0	0	0	0	0	114.3	S186 P192	S186-G188 PolarHBondContact O-N 3.49Å; S186-G188 VanDerWaalsContact O-N 3.13Å; G188-P192 WeakPolarHBondContact O-CA 3.4Å
189	R	91.2	Very high	92.3	Very high	179 Å²	179	36.1 Å²	36.1	68%	0.675	18%	0.184	S	C	*	.	H	α-helix	trans	-73.5	-37	172.5	-179.4	-178.3	170.6	169.4	-4.6	111.7	S186 L187	S186-R189 WeakPolarHBondContact O-CB 3.45Å; S186-R189 PolarHBondContact O-N 3.18Å; L187-R189 PolarHBondContact O-N 3.29Å; L187-R189 VanDerWaalsContact O-N 3.17Å
190	Y	89.3	Confident	92.6	Very high	12 Å²	12	36.4 Å²	36.4	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-88	-34.5	-175.6	-55.7	-59	0	0	0	112.3	F154 K155 L157 V160 M161 S186 L187 P192	F154-Y190 HydrophobicContact CD1-CD2 4.28Å; F154-Y190 HydrophobicContact CD1-CE2 4.29Å; F154-Y190 AromaticContact CE1-CD2 3.83Å; F154-Y190 HydrophobicContact CE1-CD2 3.83Å; F154-Y190 HydrophobicContact CE1-CE2 4.28Å; K155-Y190 PolarHBondContact O-OH 2.72Å; L157-Y190 HydrophobicContact CB-CD1 3.99Å; L157-Y190 HydrophobicContact CB-CE1 3.83Å; L157-Y190 VanDerWaalsContact O-CE1 3.29Å; L157-Y190 WeakPolarHBondContact O-CE1 3.49Å; V160-Y190 WeakPolarHBondContact CG1-O 3.35Å; M161-Y190 PolarHBondContact N-O 3.11Å; S186-Y190 WeakPolarHBondContact O-CD2 3.45Å; L187-Y190 PolarHBondContact O-N 3.02Å; Y190-P192 VanDerWaalsContact C-CD 3.45Å; Y190-P192 WeakPolarHBondContact O-CD 3.29Å
191	F	92.7	Very high	92.8	Very high	2 Å²	2	34 Å²	34	1%	0.009	17%	0.172	C	C	.	.			trans	-126.2	65.1	-176.6	-46.7	-80.5	0	0	0	111.1	L141 F154 M161 V164 L167 L187 N193 M194	L141-F191 HydrophobicContact CD2-CE1 4.03Å; L141-F191 HydrophobicContact CD2-CZ 4.36Å; F154-F191 AromaticContact CE1-CE2 3.89Å; F154-F191 HydrophobicContact CE1-CE2 3.89Å; F154-F191 HydrophobicContact CE1-CZ 4.44Å; F154-F191 AromaticContact CZ-CE2 3.5Å; F154-F191 HydrophobicContact CZ-CE2 3.5Å; F154-F191 AromaticContact CZ-CZ 3.86Å; F154-F191 HydrophobicContact CZ-CZ 3.86Å; M161-F191 HydrophobicContact CB-CD1 3.85Å; M161-F191 HydrophobicContact CB-CE1 3.8Å; M161-F191 HydrophobicContact CG-CE1 4.13Å; M161-F191 HydrophobicContact SD-CE1 3.72Å; M161-F191 HydrophobicContact SD-CZ 4.4Å; V164-F191 HydrophobicContact CB-CD1 3.75Å; V164-F191 HydrophobicContact CB-CE1 4.44Å; V164-F191 HydrophobicContact CG1-CD1 3.82Å; V164-F191 HydrophobicContact CG1-CE1 4.39Å; V164-F191 HydrophobicContact CG2-CD1 3.99Å; V164-F191 HydrophobicContact CG2-CE1 4.24Å; L167-F191 HydrophobicContact CD1-CE1 4.5Å; L167-F191 HydrophobicContact CD1-CZ 4.3Å; L167-F191 HydrophobicContact CD2-CD2 3.94Å; L167-F191 HydrophobicContact CD2-CE2 3.91Å; L167-F191 HydrophobicContact CD2-CZ 4.41Å; L187-F191 HydrophobicContact CD2-CE2 4.3Å; L187-F191 WeakPolarHBondContact O-CD2 3.15Å; L187-F191 PolarHBondContact O-N 3.21Å; F191-N193 PolarHBondContact O-N 3.11Å; F191-N193 VanDerWaalsContact O-N 3.14Å; F191-M194 HydrophobicContact CB-CB 4.04Å; F191-M194 WeakPolarHBondContact O-CB 2.84Å; F191-M194 PolarHBondContact O-N 2.86Å; F191-M194 VanDerWaalsContact O-N 3.14Å
192	P	93	Very high	92.7	Very high	48 Å²	48	35.7 Å²	35.7	31%	0.312	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.3	-171.4	26.6	-35.8	0	0	0	114.2	V160 N162 G188 Y190	V160-P192 HydrophobicContact CG1-CG 3.85Å; N162-P192 WeakPolarHBondContact OD1-CG 3.44Å; G188-P192 WeakPolarHBondContact O-CA 3.4Å; Y190-P192 VanDerWaalsContact C-CD 3.45Å; Y190-P192 WeakPolarHBondContact O-CD 3.29Å
193	N	94.2	Very high	92.6	Very high	93 Å²	93	30.1 Å²	30.1	50%	0.497	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	13.4	179.1	-63.3	-42.4	0	0	0	113.2	N162 V164 F191 K195	N162-N193 WeakPolarHBondContact O-CB 3.32Å; N162-N193 PolarHBondContact O-ND2 3.28Å; V164-N193 CarbonylContact O-C 3.51Å; F191-N193 PolarHBondContact O-N 3.11Å; F191-N193 VanDerWaalsContact O-N 3.14Å; N193-K195 PolarHBondContact O-N 2.65Å
194	M	95.3	Very high	92.6	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.152	C	C	.	.			trans	-58.4	131.7	176.4	-174.9	171.5	64.4	0	0	109.9	V164 L167 F191 Y196 F197 L224 L228 L230	V164-M194 WeakPolarHBondContact O-CA 3.4Å; V164-M194 PolarHBondContact O-N 2.9Å; L167-M194 HydrophobicContact CB-SD 3.55Å; L167-M194 VanDerWaalsContact CB-SD 3.55Å; L167-M194 HydrophobicContact CD2-SD 4.19Å; F191-M194 HydrophobicContact CB-CB 4.04Å; F191-M194 WeakPolarHBondContact O-CB 2.84Å; F191-M194 PolarHBondContact O-N 2.86Å; F191-M194 VanDerWaalsContact O-N 3.14Å; M194-Y196 WeakPolarHBondContact CG-O 3.46Å; M194-F197 HydrophobicContact CE-CB 3.91Å; M194-F197 HydrophobicContact CE-CD1 4.12Å; M194-F197 HydrophobicContact CE-CG 3.95Å; M194-F197 HydrophobicContact SD-CB 3.81Å; M194-F197 HydrophobicContact SD-CD2 4.09Å; M194-F197 HydrophobicContact SD-CG 3.96Å; M194-L224 HydrophobicContact CE-CD2 4.14Å; M194-L228 HydrophobicContact CB-CD1 4.25Å; M194-L228 HydrophobicContact CE-CD1 3.69Å; M194-L230 HydrophobicContact CB-CD2 4.33Å; M194-L230 HydrophobicContact CE-CD1 4.4Å; M194-L230 HydrophobicContact CE-CD2 4.14Å; M194-L230 HydrophobicContact CG-CD2 4.07Å; M194-L230 WeakPolarHBondContact O-CD2 3.21Å
195	K	94.8	Very high	92.3	Very high	86 Å²	86	32.2 Å²	32.2	37%	0.374	16%	0.163	S	C	.	.			trans	-114.1	-24.5	177.1	-67.7	173.6	-175	163	0	111.7	E165 N193 L230 T231	E165-K195 PolarHBondContact O-N 2.73Å; E165-K195 IonicContact OE1-NZ 3.75Å; E165-K195 PolarHBondContact OE1-NZ 2.91Å; N193-K195 PolarHBondContact O-N 2.65Å; K195-L230 CarbonylContact O-C 3.27Å; K195-T231 PolarHBondContact O-N 3.13Å
196	Y	95.5	Very high	92	Very high	14 Å²	14	33.7 Å²	33.7	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.6	-174.2	-45.8	-72.3	0	0	0	108.2	E165 L166 L167 M194 T231 F232 Y291 I316	E165-Y196 HydrophobicContact CB-CD2 4.42Å; E165-Y196 WeakPolarHBondContact O-CD2 3.42Å; E165-Y196 PolarHBondContact O-N 3.32Å; L166-Y196 VanDerWaalsContact CA-O 3.3Å; L166-Y196 WeakPolarHBondContact CA-O 3.3Å; L166-Y196 HydrophobicContact CB-CD2 4.28Å; L167-Y196 PolarHBondContact N-O 2.83Å; L167-Y196 VanDerWaalsContact N-O 3.11Å; M194-Y196 WeakPolarHBondContact CG-O 3.46Å; Y196-T231 HydrophobicContact CD1-CG2 4.35Å; Y196-T231 HydrophobicContact CE1-CG2 3.73Å; Y196-F232 AromaticContact CD1-CD1 3.48Å; Y196-F232 HydrophobicContact CD1-CD1 3.48Å; Y196-F232 VanDerWaalsContact CD1-CD1 3.48Å; Y196-F232 AromaticContact CD1-CE1 3.24Å; Y196-F232 HydrophobicContact CD1-CE1 3.24Å; Y196-F232 HydrophobicContact CD1-CG 4.36Å; Y196-F232 AromaticContact CD1-CZ 3.97Å; Y196-F232 HydrophobicContact CD1-CZ 3.97Å; Y196-F232 HydrophobicContact CE1-CD1 4.15Å; Y196-F232 HydrophobicContact CE1-CE1 4.01Å; Y196-F232 HydrophobicContact CG-CD1 4.43Å; Y196-F232 AromaticContact CG-CE1 3.89Å; Y196-F232 HydrophobicContact CG-CE1 3.89Å; Y196-F232 HydrophobicContact CG-CZ 4.18Å; Y196-Y291 HydrophobicContact CE1-CD1 4.4Å; Y196-Y291 HydrophobicContact CE1-CD2 4.29Å; Y196-Y291 HydrophobicContact CE1-CG 4.18Å; Y196-I316 HydrophobicContact CD1-CD1 4.44Å; Y196-I316 HydrophobicContact CD1-CG1 4.3Å; Y196-I316 HydrophobicContact CD2-CD1 3.32Å; Y196-I316 HydrophobicContact CD2-CG1 3.77Å; Y196-I316 HydrophobicContact CD2-CG2 4.09Å; Y196-I316 HydrophobicContact CE1-CG1 4.33Å; Y196-I316 HydrophobicContact CE2-CB 4.28Å; Y196-I316 HydrophobicContact CE2-CD1 3.84Å; Y196-I316 HydrophobicContact CE2-CG1 3.85Å; Y196-I316 HydrophobicContact CE2-CG2 3.44Å; Y196-I316 VanDerWaalsContact CE2-CG2 3.44Å; Y196-I316 HydrophobicContact CG-CD1 3.66Å; Y196-I316 HydrophobicContact CG-CG1 3.99Å
197	F	96.4	Very high	91.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131	175.9	-173.3	-154.3	0	0	0	109.1	L167 L169 L184 L187 M194 L199 L224 L230 F232 F233 G234	L167-F197 HydrophobicContact CB-CD2 4.05Å; L167-F197 HydrophobicContact CD2-CD2 4.2Å; L167-F197 HydrophobicContact CD2-CE2 3.94Å; L167-F197 HydrophobicContact CG-CD2 4.2Å; L167-F197 HydrophobicContact CG-CE2 4.15Å; L167-F197 WeakPolarHBondContact O-CA 3.28Å; L167-F197 WeakPolarHBondContact O-CD2 3.49Å; L169-F197 HydrophobicContact CB-CE2 4.35Å; L169-F197 HydrophobicContact CD1-CE2 3.85Å; L169-F197 HydrophobicContact CD1-CZ 3.9Å; L169-F197 HydrophobicContact CG-CE2 3.89Å; L169-F197 HydrophobicContact CG-CZ 4.42Å; L184-F197 HydrophobicContact CD2-CE1 4.31Å; L184-F197 HydrophobicContact CD2-CZ 4.34Å; L187-F197 HydrophobicContact CD1-CE1 3.68Å; L187-F197 HydrophobicContact CD1-CE2 4.27Å; L187-F197 HydrophobicContact CD1-CZ 3.52Å; M194-F197 HydrophobicContact CE-CB 3.91Å; M194-F197 HydrophobicContact CE-CD1 4.12Å; M194-F197 HydrophobicContact CE-CG 3.95Å; M194-F197 HydrophobicContact SD-CB 3.81Å; M194-F197 HydrophobicContact SD-CD2 4.09Å; M194-F197 HydrophobicContact SD-CG 3.96Å; F197-L199 HydrophobicContact CZ-CB 4.22Å; F197-L199 HydrophobicContact CZ-CD1 4.45Å; F197-L224 HydrophobicContact CD1-CD2 4.03Å; F197-L224 HydrophobicContact CE1-CD2 4.07Å; F197-L230 HydrophobicContact CB-CD1 4.01Å; F197-F232 PolarHBondContact N-O 3.49Å; F197-F233 HydrophobicContact CB-CD2 4.23Å; F197-F233 AromaticContact CD1-CD2 3.41Å; F197-F233 HydrophobicContact CD1-CD2 3.41Å; F197-F233 VanDerWaalsContact CD1-CD2 3.41Å; F197-F233 AromaticContact CD1-CE2 3.09Å; F197-F233 HydrophobicContact CD1-CE2 3.09Å; F197-F233 HydrophobicContact CD1-CG 4.27Å; F197-F233 AromaticContact CD1-CZ 3.71Å; F197-F233 HydrophobicContact CD1-CZ 3.71Å; F197-F233 HydrophobicContact CE1-CD2 4.11Å; F197-F233 AromaticContact CE1-CE2 3.29Å; F197-F233 HydrophobicContact CE1-CE2 3.29Å; F197-F233 AromaticContact CE1-CZ 3.6Å; F197-F233 HydrophobicContact CE1-CZ 3.6Å; F197-F233 HydrophobicContact CG-CD2 4.21Å; F197-F233 HydrophobicContact CG-CE2 4.16Å; F197-F233 HydrophobicContact CZ-CE2 4.48Å; F197-F233 HydrophobicContact CZ-CZ 4.47Å; F197-F233 CarbonylContact O-C 3.56Å; F197-F233 VanDerWaalsContact O-CA 3.28Å; F197-F233 WeakPolarHBondContact O-CA 3.44Å; F197-G234 PolarHBondContact O-N 3.02Å
198	F	95.9	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128	172.9	-171.5	-86	0	0	0	109.1	L167 A168 L169 Q170 G234 L236 L281 L295 P307 F312	L167-F198 PolarHBondContact O-N 2.9Å; A168-F198 CarbonylContact C-O 3.58Å; A168-F198 WeakPolarHBondContact CA-O 3.49Å; A168-F198 HydrophobicContact CB-CB 4.2Å; L169-F198 PolarHBondContact N-O 3.5Å; Q170-F198 HydrophobicContact CG-CD1 4.15Å; Q170-F198 HydrophobicContact CG-CE1 4.08Å; F198-G234 CarbonylContact C-O 2.95Å; F198-G234 WeakPolarHBondContact CA-O 3.39Å; F198-L236 HydrophobicContact CE1-CB 4.14Å; F198-L236 HydrophobicContact CZ-CB 3.72Å; F198-L236 HydrophobicContact CZ-CD2 4.34Å; F198-L281 HydrophobicContact CE2-CD1 3.93Å; F198-L295 HydrophobicContact CD2-CD1 4.24Å; F198-L295 HydrophobicContact CE2-CD1 4.18Å; F198-P307 HydrophobicContact CE1-CG 3.97Å; F198-P307 HydrophobicContact CE2-CG 4.34Å; F198-P307 HydrophobicContact CZ-CG 3.72Å; F198-F312 HydrophobicContact CB-CE1 3.81Å; F198-F312 HydrophobicContact CB-CZ 3.81Å; F198-F312 HydrophobicContact CD1-CE1 4.25Å; F198-F312 AromaticContact CD1-CZ 3.59Å; F198-F312 HydrophobicContact CD1-CZ 3.59Å; F198-F312 AromaticContact CD2-CE1 3.58Å; F198-F312 HydrophobicContact CD2-CE1 3.58Å; F198-F312 AromaticContact CD2-CZ 3.75Å; F198-F312 HydrophobicContact CD2-CZ 3.75Å; F198-F312 HydrophobicContact CE1-CZ 4.01Å; F198-F312 HydrophobicContact CE2-CE1 4.15Å; F198-F312 HydrophobicContact CE2-CZ 4.15Å; F198-F312 AromaticContact CG-CE1 3.62Å; F198-F312 HydrophobicContact CG-CE1 3.62Å; F198-F312 AromaticContact CG-CZ 3.42Å; F198-F312 HydrophobicContact CG-CZ 3.42Å; F198-F312 VanDerWaalsContact CG-CZ 3.42Å; F198-F312 HydrophobicContact CZ-CZ 4.25Å
199	L	95	Very high	91.8	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.3	179.9	179.6	64.6	0	0	0	109.1	L169 F197 I203 V204 F233 G234 L235 L236	L169-L199 HydrophobicContact CB-CD1 3.99Å; L169-L199 CarbonylContact O-C 3.5Å; L169-L199 WeakPolarHBondContact O-CA 3.46Å; F197-L199 HydrophobicContact CZ-CB 4.22Å; F197-L199 HydrophobicContact CZ-CD1 4.45Å; L199-I203 HydrophobicContact CD1-CB 4.43Å; L199-I203 HydrophobicContact CD1-CD1 3.85Å; L199-V204 HydrophobicContact CD2-CG2 4.44Å; L199-F233 HydrophobicContact CB-CE1 3.89Å; L199-F233 HydrophobicContact CB-CZ 3.95Å; L199-F233 HydrophobicContact CD2-CE1 4.4Å; L199-F233 HydrophobicContact CD2-CZ 3.93Å; L199-G234 PolarHBondContact N-O 3.42Å; L199-L235 HydrophobicContact CB-CD1 4.02Å; L199-L235 HydrophobicContact CD2-CD1 3.92Å; L199-L235 HydrophobicContact CG-CD1 3.96Å; L199-L235 WeakPolarHBondContact O-CA 3.33Å; L199-L235 WeakPolarHBondContact O-CD1 3.43Å; L199-L236 PolarHBondContact O-N 2.83Å
200	D	93.1	Very high	92	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.2	161.3	-165.8	-40.6	0	0	0	108.5	L169 Q170 N202 I203	L169-D200 PolarHBondContact O-N 3.36Å; Q170-D200 HydrophobicContact CB-CB 4.1Å; Q170-D200 HydrophobicContact CG-CB 4.08Å; Q170-D200 WeakPolarHBondContact O-CB 3.38Å; D200-N202 PolarHBondContact O-N 3.27Å; D200-N202 VanDerWaalsContact O-N 3.17Å; D200-N202 VanDerWaalsContact OD1-CB 3.31Å; D200-N202 WeakPolarHBondContact OD1-CB 3.47Å; D200-N202 PolarHBondContact OD1-N 3.03Å; D200-N202 PolarHBondContact OD1-ND2 3.15Å; D200-I203 WeakPolarHBondContact O-CB 3.26Å; D200-I203 PolarHBondContact O-N 3.03Å
201	W	93.4	Very high	92.2	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.011	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-63.7	-21	-178	-168.8	-93.8	0	0	0	112.8	I203 V204 S205 F208 T214 I217 L235 L236 I237	W201-I203 PolarHBondContact O-N 3.16Å; W201-V204 HydrophobicContact CD2-CB 4.07Å; W201-V204 HydrophobicContact CD2-CG1 4.38Å; W201-V204 HydrophobicContact CD2-CG2 4.41Å; W201-V204 HydrophobicContact CE3-CB 4.36Å; W201-V204 HydrophobicContact CE3-CG2 4.21Å; W201-V204 HydrophobicContact CG-CB 4.5Å; W201-V204 HydrophobicContact CH2-CG1 4.09Å; W201-V204 HydrophobicContact CZ2-CB 4.28Å; W201-V204 HydrophobicContact CZ2-CG1 3.67Å; W201-V204 HydrophobicContact CZ3-CG2 4.37Å; W201-V204 WeakPolarHBondContact O-CA 3.32Å; W201-V204 WeakPolarHBondContact O-CB 3.5Å; W201-V204 PolarHBondContact O-N 3.16Å; W201-S205 PolarHBondContact O-N 3Å; W201-S205 VanDerWaalsContact O-O 3.12Å; W201-F208 AromaticContact CD1-CD2 3.7Å; W201-F208 AromaticContact CD2-CD2 3.72Å; W201-F208 HydrophobicContact CD2-CD2 3.72Å; W201-F208 HydrophobicContact CD2-CE2 4.06Å; W201-F208 AromaticContact CE2-CD2 3.37Å; W201-F208 AromaticContact CE2-CE2 3.66Å; W201-F208 HydrophobicContact CE3-CD2 4.49Å; W201-F208 HydrophobicContact CE3-CE2 4.43Å; W201-F208 AromaticContact CG-CD2 3.9Å; W201-F208 HydrophobicContact CG-CD2 3.9Å; W201-F208 HydrophobicContact CH2-CE2 4.04Å; W201-F208 AromaticContact CZ2-CD2 3.83Å; W201-F208 HydrophobicContact CZ2-CD2 3.83Å; W201-F208 AromaticContact CZ2-CE2 3.65Å; W201-F208 HydrophobicContact CZ2-CE2 3.65Å; W201-F208 HydrophobicContact CZ3-CE2 4.42Å; W201-F208 AromaticContact NE1-CD2 3.37Å; W201-T214 HydrophobicContact CH2-CG2 3.97Å; W201-T214 HydrophobicContact CZ2-CG2 3.99Å; W201-I217 HydrophobicContact CH2-CB 4.37Å; W201-I217 HydrophobicContact CH2-CG2 3.69Å; W201-I217 HydrophobicContact CZ3-CG2 3.78Å; W201-L235 HydrophobicContact CB-CD1 4.2Å; W201-L235 HydrophobicContact CD2-CD1 4.46Å; W201-L235 HydrophobicContact CE3-CD1 3.56Å; W201-L235 HydrophobicContact CE3-CD2 3.75Å; W201-L235 HydrophobicContact CE3-CG 4.19Å; W201-L235 HydrophobicContact CZ3-CD1 4.35Å; W201-L235 HydrophobicContact CZ3-CD2 4.1Å; W201-L236 WeakPolarHBondContact CB-O 3.4Å; W201-L236 PolarHBondContact N-O 2.94Å; W201-I237 HydrophobicContact CB-CG1 4.22Å
202	N	89.6	Confident	92.2	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-58	-21.1	176.9	-70	-48.9	0	0	0	113.3	D200 S205 P206	D200-N202 PolarHBondContact O-N 3.27Å; D200-N202 VanDerWaalsContact O-N 3.17Å; D200-N202 VanDerWaalsContact OD1-CB 3.31Å; D200-N202 WeakPolarHBondContact OD1-CB 3.47Å; D200-N202 PolarHBondContact OD1-N 3.03Å; D200-N202 PolarHBondContact OD1-ND2 3.15Å; N202-S205 WeakPolarHBondContact CA-O 3.13Å; N202-P206 PolarHBondContact OD1-O 3.29Å
203	I	87.9	Confident	92.1	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.051	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.9	-35.9	171.8	-68.3	161.3	0	0	0	112.2	L169 Q170 L172 V179 L199 D200 W201	L169-I203 HydrophobicContact CB-CD1 3.64Å; L169-I203 WeakPolarHBondContact O-CD1 3.43Å; Q170-I203 WeakPolarHBondContact O-CG1 3.46Å; L172-I203 HydrophobicContact CB-CG2 4.21Å; L172-I203 HydrophobicContact CD1-CG2 3.98Å; L172-I203 HydrophobicContact CG-CG2 4.25Å; V179-I203 HydrophobicContact CB-CG2 4Å; V179-I203 HydrophobicContact CG2-CG2 3.37Å; L199-I203 HydrophobicContact CD1-CB 4.43Å; L199-I203 HydrophobicContact CD1-CD1 3.85Å; D200-I203 WeakPolarHBondContact O-CB 3.26Å; D200-I203 PolarHBondContact O-N 3.03Å; W201-I203 PolarHBondContact O-N 3.16Å
204	V	89.2	Confident	92.1	Very high	15 Å²	15	40.5 Å²	40.5	9%	0.091	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-54.6	178.2	173.1	0	0	0	0	109.5	S178 V179 L199 W201 I217	S178-V204 WeakPolarHBondContact CB-O 3.11Å; V179-V204 HydrophobicContact CB-CG2 4.34Å; V179-V204 HydrophobicContact CG1-CG2 4.21Å; L199-V204 HydrophobicContact CD2-CG2 4.44Å; W201-V204 HydrophobicContact CD2-CB 4.07Å; W201-V204 HydrophobicContact CD2-CG1 4.38Å; W201-V204 HydrophobicContact CD2-CG2 4.41Å; W201-V204 HydrophobicContact CE3-CB 4.36Å; W201-V204 HydrophobicContact CE3-CG2 4.21Å; W201-V204 HydrophobicContact CG-CB 4.5Å; W201-V204 HydrophobicContact CH2-CG1 4.09Å; W201-V204 HydrophobicContact CZ2-CB 4.28Å; W201-V204 HydrophobicContact CZ2-CG1 3.67Å; W201-V204 HydrophobicContact CZ3-CG2 4.37Å; W201-V204 WeakPolarHBondContact O-CA 3.32Å; W201-V204 WeakPolarHBondContact O-CB 3.5Å; W201-V204 PolarHBondContact O-N 3.16Å; V204-I217 HydrophobicContact CB-CD1 4.44Å; V204-I217 HydrophobicContact CG1-CD1 3.3Å; V204-I217 HydrophobicContact CG2-CD1 4.3Å
205	S	87.6	Confident	92.1	Very high	31 Å²	31	41.8 Å²	41.8	22%	0.217	23%	0.227	C	C	.	.			trans	-153.7	135.6	178.8	176.6	0	0	0	0	110.4	W201 N202 A207	W201-S205 PolarHBondContact O-N 3Å; W201-S205 VanDerWaalsContact O-O 3.12Å; N202-S205 WeakPolarHBondContact CA-O 3.13Å; S205-A207 WeakPolarHBondContact CB-O 3.4Å; S205-A207 PolarHBondContact O-N 3.48Å; S205-A207 VanDerWaalsContact O-N 3.15Å; S205-A207 PolarHBondContact OG-N 3.04Å; S205-A207 PolarHBondContact OG-O 3.14Å
206	P	82.9	Confident	92.1	Very high	104 Å²	104	41.4 Å²	41.4	68%	0.675	23%	0.23	S	C	*	.	S	Bend	trans	-58.9	-24.6	174.7	-24	33.6	0	0	0	114.4	N202	N202-P206 PolarHBondContact OD1-O 3.29Å
207	A	85.6	Confident	92	Very high	44 Å²	44	40.9 Å²	40.9	36%	0.364	23%	0.227	S	C	.	.	S	Bend	trans	-127.1	123	175.3	0	0	0	0	0	109.1	S205 M209	S205-A207 WeakPolarHBondContact CB-O 3.4Å; S205-A207 PolarHBondContact O-N 3.48Å; S205-A207 VanDerWaalsContact O-N 3.15Å; S205-A207 PolarHBondContact OG-N 3.04Å; S205-A207 PolarHBondContact OG-O 3.14Å; A207-M209 PolarHBondContact O-N 3.14Å
208	F	93	Very high	92	Very high	3 Å²	3	41 Å²	41	1%	0.013	23%	0.228	C	C	.	.			trans	-68.4	125.4	176.5	-176.7	-82.2	0	0	0	110	W201 T214 I237 I244 D247 V248 L251	W201-F208 AromaticContact CD1-CD2 3.7Å; W201-F208 AromaticContact CD2-CD2 3.72Å; W201-F208 HydrophobicContact CD2-CD2 3.72Å; W201-F208 HydrophobicContact CD2-CE2 4.06Å; W201-F208 AromaticContact CE2-CD2 3.37Å; W201-F208 AromaticContact CE2-CE2 3.66Å; W201-F208 HydrophobicContact CE3-CD2 4.49Å; W201-F208 HydrophobicContact CE3-CE2 4.43Å; W201-F208 AromaticContact CG-CD2 3.9Å; W201-F208 HydrophobicContact CG-CD2 3.9Å; W201-F208 HydrophobicContact CH2-CE2 4.04Å; W201-F208 AromaticContact CZ2-CD2 3.83Å; W201-F208 HydrophobicContact CZ2-CD2 3.83Å; W201-F208 AromaticContact CZ2-CE2 3.65Å; W201-F208 HydrophobicContact CZ2-CE2 3.65Å; W201-F208 HydrophobicContact CZ3-CE2 4.42Å; W201-F208 AromaticContact NE1-CD2 3.37Å; F208-T214 HydrophobicContact CE2-CG2 4.14Å; F208-T214 HydrophobicContact CZ-CG2 3.89Å; F208-I237 HydrophobicContact CB-CG2 3.54Å; F208-I237 HydrophobicContact CD2-CD1 4.12Å; F208-I237 HydrophobicContact CD2-CG2 3.88Å; F208-I237 HydrophobicContact CE2-CD1 4.25Å; F208-I237 HydrophobicContact CG-CG2 3.8Å; F208-I244 HydrophobicContact CB-CG2 3.94Å; F208-I244 HydrophobicContact CD1-CG2 4.47Å; F208-D247 HydrophobicContact CD1-CB 3.89Å; F208-D247 VanDerWaalsContact CE1-C 3.49Å; F208-D247 HydrophobicContact CE1-CB 3.83Å; F208-V248 HydrophobicContact CD1-CG2 3.71Å; F208-V248 HydrophobicContact CE1-CG2 4.03Å; F208-V248 HydrophobicContact CG-CG2 4.08Å; F208-L251 HydrophobicContact CE2-CD1 3.41Å; F208-L251 VanDerWaalsContact CE2-CD1 3.41Å; F208-L251 HydrophobicContact CZ-CB 3.84Å; F208-L251 HydrophobicContact CZ-CD1 3.43Å; F208-L251 VanDerWaalsContact CZ-CD1 3.43Å; F208-L251 HydrophobicContact CZ-CG 4.3Å
209	M	93	Very high	91.9	Very high	104 Å²	104	45.8 Å²	45.8	51%	0.512	25%	0.251	S	S	.	.			trans	-133.9	134.6	174.3	-64.2	-174.9	-62.3	0	0	108.6	A207 D211 T214 D247	A207-M209 PolarHBondContact O-N 3.14Å; M209-D211 PolarHBondContact O-N 2.93Å; M209-T214 WeakPolarHBondContact O-CB 3.36Å; M209-T214 PolarHBondContact O-OG1 2.79Å; M209-D247 WeakPolarHBondContact CA-OD2 3.32Å
210	Y	93.8	Very high	91.9	Very high	63 Å²	63	46.3 Å²	46.3	25%	0.247	26%	0.255	C	S	.	.			trans	-88.3	92.2	177.7	-167.8	-87.2	0	0	0	110.6	T214 V215 L218 D247 K250 L251 Y254	Y210-T214 HydrophobicContact CD2-CG2 4.25Å; Y210-V215 HydrophobicContact CE1-CG2 4.16Å; Y210-V215 HydrophobicContact CE2-CG2 4.47Å; Y210-L218 HydrophobicContact CE2-CD1 4.1Å; Y210-D247 PolarHBondContact N-OD2 3.33Å; Y210-K250 HydrophobicContact CD1-CB 3.85Å; Y210-K250 HydrophobicContact CD1-CD 3.78Å; Y210-K250 HydrophobicContact CD1-CG 4.44Å; Y210-K250 HydrophobicContact CD2-CB 3.65Å; Y210-K250 HydrophobicContact CE1-CB 4.11Å; Y210-K250 HydrophobicContact CE2-CB 3.91Å; Y210-K250 HydrophobicContact CG-CB 3.62Å; Y210-K250 HydrophobicContact CG-CD 3.91Å; Y210-K250 HydrophobicContact CG-CG 4.44Å; Y210-L251 HydrophobicContact CD2-CB 4.22Å; Y210-L251 HydrophobicContact CE2-CB 4.3Å; Y210-Y254 WeakPolarHBondContact OH-CB 3.44Å; Y210-Y254 WeakPolarHBondContact OH-CD2 3.19Å
211	D	93.7	Very high	92	Very high	70 Å²	70	46.2 Å²	46.2	37%	0.374	25%	0.254	S	S	.	.	S	Bend	trans	-127.7	-173.6	178.4	64.2	20.1	0	0	0	112.2	M209 S213 T214 V215	M209-D211 PolarHBondContact O-N 2.93Å; D211-S213 PolarHBondContact OD1-N 3.23Å; D211-S213 VanDerWaalsContact OD1-N 3.14Å; D211-T214 PolarHBondContact O-N 3.24Å; D211-T214 PolarHBondContact OD1-N 3.3Å; D211-T214 PolarHBondContact OD1-OG1 3.24Å; D211-V215 WeakPolarHBondContact O-CG2 3.32Å; D211-V215 PolarHBondContact O-N 3.14Å; D211-V215 VanDerWaalsContact O-N 3.07Å
212	E	92.8	Very high	92	Very high	161 Å²	161	46.1 Å²	46.1	75%	0.752	26%	0.255	S	S	*	.	H	α-helix	trans	-62	-41.3	179.9	-170.6	172.6	-167.7	0	0	112.3	T214 V215 D216	E212-T214 VanDerWaalsContact C-N 3.32Å; E212-T214 PolarHBondContact O-N 3.17Å; E212-V215 WeakPolarHBondContact O-CB 3.25Å; E212-V215 PolarHBondContact O-N 2.81Å; E212-V215 VanDerWaalsContact O-N 3.1Å; E212-D216 PolarHBondContact O-N 2.96Å
213	S	91.8	Very high	92.3	Very high	62 Å²	62	45.2 Å²	45.2	43%	0.434	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-38.9	177.3	-174.6	0	0	0	0	111.8	D211 V215 D216 I217	D211-S213 PolarHBondContact OD1-N 3.23Å; D211-S213 VanDerWaalsContact OD1-N 3.14Å; S213-V215 VanDerWaalsContact C-N 3.33Å; S213-D216 PolarHBondContact O-N 3.5Å; S213-I217 WeakPolarHBondContact O-CG1 3.37Å; S213-I217 PolarHBondContact O-N 3.11Å; S213-I217 VanDerWaalsContact O-N 3.13Å
214	T	93.7	Very high	92.6	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.055	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-39.4	174.3	-72.1	0	0	0	0	111	W201 F208 M209 Y210 D211 E212 I217 L218	W201-T214 HydrophobicContact CH2-CG2 3.97Å; W201-T214 HydrophobicContact CZ2-CG2 3.99Å; F208-T214 HydrophobicContact CE2-CG2 4.14Å; F208-T214 HydrophobicContact CZ-CG2 3.89Å; M209-T214 WeakPolarHBondContact O-CB 3.36Å; M209-T214 PolarHBondContact O-OG1 2.79Å; Y210-T214 HydrophobicContact CD2-CG2 4.25Å; D211-T214 PolarHBondContact O-N 3.24Å; D211-T214 PolarHBondContact OD1-N 3.3Å; D211-T214 PolarHBondContact OD1-OG1 3.24Å; E212-T214 VanDerWaalsContact C-N 3.32Å; E212-T214 PolarHBondContact O-N 3.17Å; T214-I217 PolarHBondContact O-N 2.93Å; T214-L218 HydrophobicContact CG2-CD1 4Å; T214-L218 HydrophobicContact CG2-CG 4.31Å; T214-L218 WeakPolarHBondContact O-CG 3.19Å; T214-L218 PolarHBondContact O-N 3.06Å
215	V	95	Very high	92.9	Very high	30 Å²	30	45.7 Å²	45.7	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-46.3	175.7	172.8	0	0	0	0	111.1	Y210 D211 E212 S213 I217 L218 E219 Y254	Y210-V215 HydrophobicContact CE1-CG2 4.16Å; Y210-V215 HydrophobicContact CE2-CG2 4.47Å; D211-V215 WeakPolarHBondContact O-CG2 3.32Å; D211-V215 PolarHBondContact O-N 3.14Å; D211-V215 VanDerWaalsContact O-N 3.07Å; E212-V215 WeakPolarHBondContact O-CB 3.25Å; E212-V215 PolarHBondContact O-N 2.81Å; E212-V215 VanDerWaalsContact O-N 3.1Å; S213-V215 VanDerWaalsContact C-N 3.33Å; V215-I217 VanDerWaalsContact C-N 3.29Å; V215-I217 PolarHBondContact O-N 2.89Å; V215-L218 PolarHBondContact O-N 3.39Å; V215-L218 VanDerWaalsContact O-N 3.09Å; V215-E219 WeakPolarHBondContact O-CG 3.45Å; V215-E219 PolarHBondContact O-N 3.07Å; V215-Y254 HydrophobicContact CG1-CE2 3.85Å
216	D	94.7	Very high	93.3	Very high	78 Å²	78	50 Å²	50	42%	0.417	27%	0.267	S	S	.	.	H	α-helix	trans	-58.6	-41.9	177.7	-68.6	-18	0	0	0	111.9	A181 E212 S213 E219 A220	A181-D216 HydrophobicContact CB-CB 4.15Å; A181-D216 WeakPolarHBondContact CB-O 3.45Å; E212-D216 PolarHBondContact O-N 2.96Å; S213-D216 PolarHBondContact O-N 3.5Å; D216-E219 WeakPolarHBondContact O-CB 3.45Å; D216-E219 PolarHBondContact O-N 3.08Å; D216-A220 PolarHBondContact O-N 3.15Å
217	I	94.5	Very high	93.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-43.4	175.6	-73.3	174.4	0	0	0	111	L184 W201 V204 S213 T214 V215 E219 A220 V221	L184-I217 HydrophobicContact CD1-CG2 3.7Å; W201-I217 HydrophobicContact CH2-CB 4.37Å; W201-I217 HydrophobicContact CH2-CG2 3.69Å; W201-I217 HydrophobicContact CZ3-CG2 3.78Å; V204-I217 HydrophobicContact CB-CD1 4.44Å; V204-I217 HydrophobicContact CG1-CD1 3.3Å; V204-I217 HydrophobicContact CG2-CD1 4.3Å; S213-I217 WeakPolarHBondContact O-CG1 3.37Å; S213-I217 PolarHBondContact O-N 3.11Å; S213-I217 VanDerWaalsContact O-N 3.13Å; T214-I217 PolarHBondContact O-N 2.93Å; V215-I217 VanDerWaalsContact C-N 3.29Å; V215-I217 PolarHBondContact O-N 2.89Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.27Å; I217-A220 PolarHBondContact O-N 2.9Å; I217-V221 HydrophobicContact CG2-CG2 4.43Å; I217-V221 WeakPolarHBondContact O-CB 3.42Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.43Å; I217-V221 PolarHBondContact O-N 2.9Å
218	L	94.8	Very high	94.3	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-34.1	177.6	-68.3	174.6	0	0	0	112.2	Y210 T214 V215 V221 A222 L251 Y254 L255	Y210-L218 HydrophobicContact CE2-CD1 4.1Å; T214-L218 HydrophobicContact CG2-CD1 4Å; T214-L218 HydrophobicContact CG2-CG 4.31Å; T214-L218 WeakPolarHBondContact O-CG 3.19Å; T214-L218 PolarHBondContact O-N 3.06Å; V215-L218 PolarHBondContact O-N 3.39Å; V215-L218 VanDerWaalsContact O-N 3.09Å; L218-V221 PolarHBondContact O-N 2.8Å; L218-A222 VanDerWaalsContact O-CB 3.31Å; L218-A222 WeakPolarHBondContact O-CB 3.44Å; L218-A222 PolarHBondContact O-N 2.84Å; L218-L251 HydrophobicContact CD1-CB 4.07Å; L218-L251 HydrophobicContact CD1-CD1 4.09Å; L218-L251 HydrophobicContact CD1-CG 3.77Å; L218-L251 HydrophobicContact CD2-CD1 3.6Å; L218-L251 HydrophobicContact CD2-CG 3.76Å; L218-L251 HydrophobicContact CG-CD1 4.4Å; L218-L251 HydrophobicContact CG-CG 4.43Å; L218-Y254 HydrophobicContact CB-CD1 3.87Å; L218-Y254 HydrophobicContact CB-CE1 3.77Å; L218-Y254 HydrophobicContact CD1-CD1 3.9Å; L218-Y254 HydrophobicContact CD1-CG 4.44Å; L218-L255 HydrophobicContact CB-CD2 4.44Å; L218-L255 HydrophobicContact CD2-CD2 4.25Å; L218-L255 HydrophobicContact CD2-CG 4.5Å
219	E	94.8	Very high	94.4	Very high	102 Å²	102	58.3 Å²	58.3	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-48.7	171.6	-74.4	-172.2	-179.4	0	0	111.5	V215 D216 I217 V221 A222 A223 Y254	V215-E219 WeakPolarHBondContact O-CG 3.45Å; V215-E219 PolarHBondContact O-N 3.07Å; D216-E219 WeakPolarHBondContact O-CB 3.45Å; D216-E219 PolarHBondContact O-N 3.08Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.27Å; E219-V221 VanDerWaalsContact C-N 3.35Å; E219-V221 PolarHBondContact O-N 3.21Å; E219-A222 PolarHBondContact O-N 2.74Å; E219-A223 VanDerWaalsContact O-CB 3.28Å; E219-A223 WeakPolarHBondContact O-CB 3.47Å; E219-A223 PolarHBondContact O-N 3.45Å; E219-Y254 HydrophobicContact CG-CE1 4.43Å; E219-Y254 WeakPolarHBondContact CG-OH 3.16Å; E219-Y254 PolarHBondContact OE1-OH 2.91Å
220	A	95	Very high	94.6	Very high	11 Å²	11	53.8 Å²	53.8	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-42.6	176.3	0	0	0	0	0	111.9	A181 L184 D216 I217 A223 L224	A181-A220 HydrophobicContact CB-CB 3.87Å; A181-A220 WeakPolarHBondContact O-CB 3.39Å; L184-A220 HydrophobicContact CB-CB 4.05Å; D216-A220 PolarHBondContact O-N 3.15Å; I217-A220 PolarHBondContact O-N 2.9Å; A220-A223 PolarHBondContact O-N 2.81Å; A220-L224 VanDerWaalsContact O-CB 3.27Å; A220-L224 WeakPolarHBondContact O-CB 3.3Å; A220-L224 PolarHBondContact O-N 2.77Å
221	V	94.5	Very high	94.6	Very high	5 Å²	5	52.6 Å²	52.6	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-49.1	174.9	164.3	0	0	0	0	111.4	L184 I217 L218 E219 A223 L224 F225 F233 I284	L184-V221 HydrophobicContact CD1-CG2 3.8Å; I217-V221 HydrophobicContact CG2-CG2 4.43Å; I217-V221 WeakPolarHBondContact O-CB 3.42Å; I217-V221 VanDerWaalsContact O-CG2 3.3Å; I217-V221 WeakPolarHBondContact O-CG2 3.43Å; I217-V221 PolarHBondContact O-N 2.9Å; L218-V221 PolarHBondContact O-N 2.8Å; E219-V221 VanDerWaalsContact C-N 3.35Å; E219-V221 PolarHBondContact O-N 3.21Å; V221-A223 VanDerWaalsContact C-N 3.34Å; V221-A223 PolarHBondContact O-N 2.73Å; V221-L224 PolarHBondContact O-N 3.04Å; V221-F225 WeakPolarHBondContact O-CB 3.28Å; V221-F225 PolarHBondContact O-N 3.27Å; V221-F233 HydrophobicContact CB-CE2 4.04Å; V221-F233 HydrophobicContact CB-CZ 4.33Å; V221-F233 HydrophobicContact CG1-CD1 4.38Å; V221-F233 HydrophobicContact CG1-CD2 3.7Å; V221-F233 HydrophobicContact CG1-CE1 4.21Å; V221-F233 HydrophobicContact CG1-CE2 3.44Å; V221-F233 VanDerWaalsContact CG1-CE2 3.44Å; V221-F233 HydrophobicContact CG1-CG 4.19Å; V221-F233 HydrophobicContact CG1-CZ 3.76Å; V221-F233 HydrophobicContact CG2-CE2 3.7Å; V221-F233 HydrophobicContact CG2-CZ 3.65Å; V221-I284 HydrophobicContact CG1-CD1 3.63Å
222	A	94.5	Very high	94.7	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-38.8	179.9	0	0	0	0	0	111.7	L218 E219 R226 V258 V260	L218-A222 VanDerWaalsContact O-CB 3.31Å; L218-A222 WeakPolarHBondContact O-CB 3.44Å; L218-A222 PolarHBondContact O-N 2.84Å; E219-A222 PolarHBondContact O-N 2.74Å; A222-R226 WeakPolarHBondContact O-CG 3.26Å; A222-R226 PolarHBondContact O-N 3.23Å; A222-V258 HydrophobicContact CB-CG2 4.33Å; A222-V260 HydrophobicContact CB-CG2 4.19Å
223	A	94.7	Very high	94.9	Very high	41 Å²	41	41.7 Å²	41.7	34%	0.339	21%	0.21	S	C	.	.	H	α-helix	trans	-63	-49.2	174.4	0	0	0	0	0	111.1	E219 A220 V221 F225 R226 K227	E219-A223 VanDerWaalsContact O-CB 3.28Å; E219-A223 WeakPolarHBondContact O-CB 3.47Å; E219-A223 PolarHBondContact O-N 3.45Å; A220-A223 PolarHBondContact O-N 2.81Å; V221-A223 VanDerWaalsContact C-N 3.34Å; V221-A223 PolarHBondContact O-N 2.73Å; A223-F225 PolarHBondContact O-N 3.32Å; A223-R226 PolarHBondContact O-N 3.23Å; A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.43Å
224	L	95.4	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-45.9	177.8	-173.6	68.8	0	0	0	111.5	L187 M194 F197 A220 V221 R226 K227 L228	L187-L224 HydrophobicContact CB-CD1 4.43Å; L187-L224 HydrophobicContact CB-CD2 4.23Å; L187-L224 HydrophobicContact CD1-CD2 4.12Å; M194-L224 HydrophobicContact CE-CD2 4.14Å; F197-L224 HydrophobicContact CD1-CD2 4.03Å; F197-L224 HydrophobicContact CE1-CD2 4.07Å; A220-L224 VanDerWaalsContact O-CB 3.27Å; A220-L224 WeakPolarHBondContact O-CB 3.3Å; A220-L224 PolarHBondContact O-N 2.77Å; V221-L224 PolarHBondContact O-N 3.04Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.09Å; L224-K227 PolarHBondContact O-N 2.91Å; L224-L228 HydrophobicContact CD1-CD1 3.58Å; L224-L228 HydrophobicContact CD1-CG 4.03Å; L224-L228 HydrophobicContact CG-CD1 4.12Å; L224-L228 PolarHBondContact O-N 3.3Å
225	F	95.5	Very high	95.2	Very high	36 Å²	36	38.8 Å²	38.8	16%	0.158	19%	0.189	C	C	.	.	H	α-helix	trans	-55.5	-46.3	177.2	-179.4	-91.6	0	0	0	112	V221 A223 K229 L230 F233 I284	V221-F225 WeakPolarHBondContact O-CB 3.28Å; V221-F225 PolarHBondContact O-N 3.27Å; A223-F225 PolarHBondContact O-N 3.32Å; F225-K229 WeakPolarHBondContact O-CA 3.05Å; F225-K229 PolarHBondContact O-N 3.38Å; F225-K229 VanDerWaalsContact O-N 3.08Å; F225-L230 HydrophobicContact CB-CD1 4.44Å; F225-L230 HydrophobicContact CD2-CB 3.59Å; F225-L230 HydrophobicContact CD2-CD1 4.14Å; F225-L230 HydrophobicContact CD2-CG 4.27Å; F225-L230 HydrophobicContact CE2-CB 3.78Å; F225-L230 VanDerWaalsContact CE2-O 3.28Å; F225-L230 WeakPolarHBondContact CE2-O 3.28Å; F225-L230 HydrophobicContact CG-CB 4.4Å; F225-L230 VanDerWaalsContact CZ-O 3.3Å; F225-L230 WeakPolarHBondContact CZ-O 3.24Å; F225-L230 PolarHBondContact O-N 3.49Å; F225-L230 VanDerWaalsContact O-N 3.07Å; F225-F233 HydrophobicContact CD2-CB 4.06Å; F225-I284 HydrophobicContact CD1-CG2 4.01Å; F225-I284 HydrophobicContact CD2-CB 4.45Å; F225-I284 HydrophobicContact CD2-CG2 3.53Å; F225-I284 HydrophobicContact CE1-CG2 4.08Å; F225-I284 HydrophobicContact CE2-CG2 3.63Å; F225-I284 HydrophobicContact CG-CG2 3.76Å; F225-I284 HydrophobicContact CZ-CG2 3.92Å
226	R	95.1	Very high	95.2	Very high	121 Å²	121	37.3 Å²	37.3	46%	0.457	18%	0.18	S	C	.	.	H	α-helix	trans	-72	-44.9	178.6	-65.6	-178.6	-157	113.1	-3.4	112.2	A222 A223 L224 L228 K229 V258	A222-R226 WeakPolarHBondContact O-CG 3.26Å; A222-R226 PolarHBondContact O-N 3.23Å; A223-R226 PolarHBondContact O-N 3.23Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 3.09Å; R226-L228 PolarHBondContact O-N 3.29Å; R226-K229 PolarHBondContact O-N 3.42Å; R226-V258 PolarHBondContact NH2-O 3.29Å
227	K	94.8	Very high	95.3	Very high	119 Å²	119	33.7 Å²	33.7	52%	0.517	16%	0.161	S	C	.	.	H	α-helix	trans	-58.7	-47.4	-177.9	-179.5	-177.1	-176.1	-179.3	0	111.4	D185 A223 L224	D185-K227 PolarHBondContact O-NZ 2.7Å; D185-K227 IonicContact OD1-NZ 3.94Å; D185-K227 PolarHBondContact OD1-NZ 2.88Å; D185-K227 IonicContact OD2-NZ 3.74Å; A223-K227 WeakPolarHBondContact O-CB 3.35Å; A223-K227 PolarHBondContact O-N 3.43Å; L224-K227 PolarHBondContact O-N 2.91Å
228	L	95.8	Very high	95.3	Very high	28 Å²	28	38 Å²	38	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-90.8	-3.8	-179.7	-60.3	-176.9	0	0	0	113.7	M194 L224 R226 L230	M194-L228 HydrophobicContact CB-CD1 4.25Å; M194-L228 HydrophobicContact CE-CD1 3.69Å; L224-L228 HydrophobicContact CD1-CD1 3.58Å; L224-L228 HydrophobicContact CD1-CG 4.03Å; L224-L228 HydrophobicContact CG-CD1 4.12Å; L224-L228 PolarHBondContact O-N 3.3Å; R226-L228 PolarHBondContact O-N 3.29Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 HydrophobicContact CB-CD2 3.72Å; L228-L230 HydrophobicContact CB-CG 4.15Å; L228-L230 HydrophobicContact CD1-CD2 4.3Å; L228-L230 PolarHBondContact O-N 3.09Å
229	K	94.9	Very high	95.1	Very high	179 Å²	179	38 Å²	38	78%	0.778	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	49	-176.3	-56.8	177.5	-178.5	175.8	0	111.7	F225 R226	F225-K229 WeakPolarHBondContact O-CA 3.05Å; F225-K229 PolarHBondContact O-N 3.38Å; F225-K229 VanDerWaalsContact O-N 3.08Å; R226-K229 PolarHBondContact O-N 3.42Å
230	L	95.9	Very high	94.9	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.042	17%	0.17	C	C	.	.			trans	-59	142.9	-177.4	-57.8	-178.5	0	0	0	110.4	M194 K195 F197 F225 L228 F233	M194-L230 HydrophobicContact CB-CD2 4.33Å; M194-L230 HydrophobicContact CE-CD1 4.4Å; M194-L230 HydrophobicContact CE-CD2 4.14Å; M194-L230 HydrophobicContact CG-CD2 4.07Å; M194-L230 WeakPolarHBondContact O-CD2 3.21Å; K195-L230 CarbonylContact O-C 3.27Å; F197-L230 HydrophobicContact CB-CD1 4.01Å; F225-L230 HydrophobicContact CB-CD1 4.44Å; F225-L230 HydrophobicContact CD2-CB 3.59Å; F225-L230 HydrophobicContact CD2-CD1 4.14Å; F225-L230 HydrophobicContact CD2-CG 4.27Å; F225-L230 HydrophobicContact CE2-CB 3.78Å; F225-L230 VanDerWaalsContact CE2-O 3.28Å; F225-L230 WeakPolarHBondContact CE2-O 3.28Å; F225-L230 HydrophobicContact CG-CB 4.4Å; F225-L230 VanDerWaalsContact CZ-O 3.3Å; F225-L230 WeakPolarHBondContact CZ-O 3.24Å; F225-L230 PolarHBondContact O-N 3.49Å; F225-L230 VanDerWaalsContact O-N 3.07Å; L228-L230 VanDerWaalsContact C-N 3.29Å; L228-L230 HydrophobicContact CB-CD2 3.72Å; L228-L230 HydrophobicContact CB-CG 4.15Å; L228-L230 HydrophobicContact CD1-CD2 4.3Å; L228-L230 PolarHBondContact O-N 3.09Å; L230-F233 HydrophobicContact CD1-CB 4.35Å; L230-F233 HydrophobicContact CD1-CD2 4.27Å
231	T	94.7	Very high	94.7	Very high	38 Å²	38	38 Å²	38	23%	0.233	18%	0.182	C	C	.	.	S	Bend	trans	-72.5	-40.8	172.4	-60.6	0	0	0	0	110.7	K195 Y196 N289 Y291	K195-T231 PolarHBondContact O-N 3.13Å; Y196-T231 HydrophobicContact CD1-CG2 4.35Å; Y196-T231 HydrophobicContact CE1-CG2 3.73Å; T231-N289 WeakPolarHBondContact CG2-ND2 3.04Å; T231-Y291 HydrophobicContact CG2-CD2 3.7Å; T231-Y291 HydrophobicContact CG2-CE2 4.43Å; T231-Y291 HydrophobicContact CG2-CG 4.37Å
232	F	95.2	Very high	94.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	154.5	166.1	71.2	-103.9	0	0	0	111.5	L166 Y196 F197 V283 I284 V292 L295 I315	L166-F232 HydrophobicContact CD1-CZ 4.49Å; Y196-F232 AromaticContact CD1-CD1 3.48Å; Y196-F232 HydrophobicContact CD1-CD1 3.48Å; Y196-F232 VanDerWaalsContact CD1-CD1 3.48Å; Y196-F232 AromaticContact CD1-CE1 3.24Å; Y196-F232 HydrophobicContact CD1-CE1 3.24Å; Y196-F232 HydrophobicContact CD1-CG 4.36Å; Y196-F232 AromaticContact CD1-CZ 3.97Å; Y196-F232 HydrophobicContact CD1-CZ 3.97Å; Y196-F232 HydrophobicContact CE1-CD1 4.15Å; Y196-F232 HydrophobicContact CE1-CE1 4.01Å; Y196-F232 HydrophobicContact CG-CD1 4.43Å; Y196-F232 AromaticContact CG-CE1 3.89Å; Y196-F232 HydrophobicContact CG-CE1 3.89Å; Y196-F232 HydrophobicContact CG-CZ 4.18Å; F197-F232 PolarHBondContact N-O 3.49Å; F232-V283 HydrophobicContact CB-CG1 4.02Å; F232-I284 CarbonylContact C-O 3.57Å; F232-I284 VanDerWaalsContact CA-O 3.26Å; F232-I284 WeakPolarHBondContact CA-O 3.24Å; F232-V292 HydrophobicContact CB-CG2 3.92Å; F232-L295 HydrophobicContact CD2-CD2 3.93Å; F232-L295 HydrophobicContact CE2-CD2 3.87Å; F232-L295 HydrophobicContact CZ-CD2 4.4Å; F232-I315 HydrophobicContact CE1-CG2 4Å; F232-I315 HydrophobicContact CZ-CG2 4.28Å
233	F	96.6	Very high	94.5	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.2	160	-178.1	-49.8	0	0	0	107.4	F197 L199 V221 F225 L230 L235 V283 I284	F197-F233 HydrophobicContact CB-CD2 4.23Å; F197-F233 AromaticContact CD1-CD2 3.41Å; F197-F233 HydrophobicContact CD1-CD2 3.41Å; F197-F233 VanDerWaalsContact CD1-CD2 3.41Å; F197-F233 AromaticContact CD1-CE2 3.09Å; F197-F233 HydrophobicContact CD1-CE2 3.09Å; F197-F233 HydrophobicContact CD1-CG 4.27Å; F197-F233 AromaticContact CD1-CZ 3.71Å; F197-F233 HydrophobicContact CD1-CZ 3.71Å; F197-F233 HydrophobicContact CE1-CD2 4.11Å; F197-F233 AromaticContact CE1-CE2 3.29Å; F197-F233 HydrophobicContact CE1-CE2 3.29Å; F197-F233 AromaticContact CE1-CZ 3.6Å; F197-F233 HydrophobicContact CE1-CZ 3.6Å; F197-F233 HydrophobicContact CG-CD2 4.21Å; F197-F233 HydrophobicContact CG-CE2 4.16Å; F197-F233 HydrophobicContact CZ-CE2 4.48Å; F197-F233 HydrophobicContact CZ-CZ 4.47Å; F197-F233 CarbonylContact O-C 3.56Å; F197-F233 VanDerWaalsContact O-CA 3.28Å; F197-F233 WeakPolarHBondContact O-CA 3.44Å; L199-F233 HydrophobicContact CB-CE1 3.89Å; L199-F233 HydrophobicContact CB-CZ 3.95Å; L199-F233 HydrophobicContact CD2-CE1 4.4Å; L199-F233 HydrophobicContact CD2-CZ 3.93Å; V221-F233 HydrophobicContact CB-CE2 4.04Å; V221-F233 HydrophobicContact CB-CZ 4.33Å; V221-F233 HydrophobicContact CG1-CD1 4.38Å; V221-F233 HydrophobicContact CG1-CD2 3.7Å; V221-F233 HydrophobicContact CG1-CE1 4.21Å; V221-F233 HydrophobicContact CG1-CE2 3.44Å; V221-F233 VanDerWaalsContact CG1-CE2 3.44Å; V221-F233 HydrophobicContact CG1-CG 4.19Å; V221-F233 HydrophobicContact CG1-CZ 3.76Å; V221-F233 HydrophobicContact CG2-CE2 3.7Å; V221-F233 HydrophobicContact CG2-CZ 3.65Å; F225-F233 HydrophobicContact CD2-CB 4.06Å; L230-F233 HydrophobicContact CD1-CB 4.35Å; L230-F233 HydrophobicContact CD1-CD2 4.27Å; F233-L235 HydrophobicContact CD1-CB 4.46Å; F233-L235 HydrophobicContact CE1-CB 4.13Å; F233-L235 HydrophobicContact CE1-CD1 4.38Å; F233-V283 CarbonylContact O-C 3.49Å; F233-V283 WeakPolarHBondContact O-CA 3.22Å; F233-I284 HydrophobicContact CB-CB 4.1Å; F233-I284 HydrophobicContact CB-CD1 4.48Å; F233-I284 HydrophobicContact CG-CD1 4.49Å; F233-I284 PolarHBondContact N-O 3.2Å; F233-I284 PolarHBondContact O-N 2.98Å
234	G	96.3	Very high	94.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.2	175	0	0	0	0	0	110.6	F197 F198 L199	F197-G234 PolarHBondContact O-N 3.02Å; F198-G234 CarbonylContact C-O 2.95Å; F198-G234 WeakPolarHBondContact CA-O 3.39Å; L199-G234 PolarHBondContact N-O 3.42Å
235	L	96	Very high	94.3	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.8	175.4	-177.6	69.3	0	0	0	109.3	L199 W201 F233 I237 L251 A282	L199-L235 HydrophobicContact CB-CD1 4.02Å; L199-L235 HydrophobicContact CD2-CD1 3.92Å; L199-L235 HydrophobicContact CG-CD1 3.96Å; L199-L235 WeakPolarHBondContact O-CA 3.33Å; L199-L235 WeakPolarHBondContact O-CD1 3.43Å; W201-L235 HydrophobicContact CB-CD1 4.2Å; W201-L235 HydrophobicContact CD2-CD1 4.46Å; W201-L235 HydrophobicContact CE3-CD1 3.56Å; W201-L235 HydrophobicContact CE3-CD2 3.75Å; W201-L235 HydrophobicContact CE3-CG 4.19Å; W201-L235 HydrophobicContact CZ3-CD1 4.35Å; W201-L235 HydrophobicContact CZ3-CD2 4.1Å; F233-L235 HydrophobicContact CD1-CB 4.46Å; F233-L235 HydrophobicContact CE1-CB 4.13Å; F233-L235 HydrophobicContact CE1-CD1 4.38Å; L235-I237 HydrophobicContact CD2-CD1 3.73Å; L235-I237 HydrophobicContact CD2-CG1 3.94Å; L235-I237 HydrophobicContact CG-CD1 4.17Å; L235-I237 HydrophobicContact CG-CG1 3.85Å; L235-L251 HydrophobicContact CD2-CD1 3.95Å; L235-A282 HydrophobicContact CB-CB 4.28Å; L235-A282 PolarHBondContact N-O 3.19Å; L235-A282 PolarHBondContact O-N 2.95Å
236	L	95.9	Very high	94.3	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.9	174.6	-176.6	69.3	0	0	0	109.6	F198 L199 W201 F267 F279 V299 S305	F198-L236 HydrophobicContact CE1-CB 4.14Å; F198-L236 HydrophobicContact CZ-CB 3.72Å; F198-L236 HydrophobicContact CZ-CD2 4.34Å; L199-L236 PolarHBondContact O-N 2.83Å; W201-L236 WeakPolarHBondContact CB-O 3.4Å; W201-L236 PolarHBondContact N-O 2.94Å; L236-F267 HydrophobicContact CD1-CE1 3.89Å; L236-F267 HydrophobicContact CD1-CZ 3.8Å; L236-F279 HydrophobicContact CD1-CB 4.35Å; L236-F279 HydrophobicContact CD1-CD1 4.05Å; L236-F279 HydrophobicContact CD2-CD1 4.41Å; L236-F279 HydrophobicContact CG-CD1 4.16Å; L236-V299 HydrophobicContact CD1-CG1 4.34Å; L236-S305 WeakPolarHBondContact CD2-O 3.47Å
237	I	95.8	Very high	94.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.9	-175.5	-50	174.8	0	0	0	108.6	W201 F208 L235 V248 L251 F279 M280	W201-I237 HydrophobicContact CB-CG1 4.22Å; F208-I237 HydrophobicContact CB-CG2 3.54Å; F208-I237 HydrophobicContact CD2-CD1 4.12Å; F208-I237 HydrophobicContact CD2-CG2 3.88Å; F208-I237 HydrophobicContact CE2-CD1 4.25Å; F208-I237 HydrophobicContact CG-CG2 3.8Å; L235-I237 HydrophobicContact CD2-CD1 3.73Å; L235-I237 HydrophobicContact CD2-CG1 3.94Å; L235-I237 HydrophobicContact CG-CD1 4.17Å; L235-I237 HydrophobicContact CG-CG1 3.85Å; I237-V248 HydrophobicContact CB-CG2 4.48Å; I237-V248 HydrophobicContact CD1-CG1 3.89Å; I237-V248 HydrophobicContact CD1-CG2 3.87Å; I237-V248 HydrophobicContact CG2-CG2 3.87Å; I237-L251 HydrophobicContact CD1-CD1 4.28Å; I237-F279 CarbonylContact O-C 3.45Å; I237-F279 WeakPolarHBondContact O-CA 3.31Å; I237-M280 PolarHBondContact N-O 3.16Å; I237-M280 PolarHBondContact O-N 3.05Å
238	Y	94.2	Very high	94.4	Very high	93 Å²	93	44.5 Å²	44.5	37%	0.365	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	125.5	167.9	-178.6	-121.6	0	0	0	109.5	P240 N278 F279	Y238-P240 HydrophobicContact CD1-CG 4.16Å; Y238-P240 HydrophobicContact CE1-CB 3.97Å; Y238-P240 HydrophobicContact CE1-CG 3.63Å; Y238-P240 HydrophobicContact CE2-CB 4.41Å; Y238-N278 WeakPolarHBondContact CD2-O 3.26Å; Y238-N278 HydrophobicContact CE2-CB 4.18Å; Y238-F279 HydrophobicContact CD2-CD1 4.22Å; Y238-F279 HydrophobicContact CD2-CD2 4.32Å; Y238-F279 AromaticContact CD2-CE1 3.76Å; Y238-F279 HydrophobicContact CD2-CE1 3.76Å; Y238-F279 AromaticContact CD2-CE2 3.86Å; Y238-F279 HydrophobicContact CD2-CE2 3.86Å; Y238-F279 HydrophobicContact CD2-CG 4.49Å; Y238-F279 AromaticContact CD2-CZ 3.55Å; Y238-F279 HydrophobicContact CD2-CZ 3.55Å; Y238-F279 HydrophobicContact CE2-CE2 4.22Å; Y238-F279 HydrophobicContact CE2-CZ 4.21Å; Y238-F279 HydrophobicContact CG-CE1 4.3Å; Y238-F279 HydrophobicContact CG-CZ 4.42Å
239	C	92.6	Very high	94.3	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	21%	0.214	C	C	.	.			trans	-139.3	71.3	-168.6	-165.4	0	0	0	0	110.9	I244 R245 N278 M280	C239-I244 HydrophobicContact CB-CG2 4.2Å; C239-R245 VanDerWaalsContact SG-CA 3.52Å; C239-R245 WeakPolarHBondContact SG-CG 3.22Å; C239-R245 PolarHBondContact SG-N 3.33Å; C239-N278 CarbonylContact C-O 3.51Å; C239-N278 PolarHBondContact N-O 3.5Å; C239-N278 CarbonylContact O-C 3.59Å; C239-N278 WeakPolarHBondContact O-CA 3.49Å; C239-M280 HydrophobicContact CB-CG 4.23Å
240	P	89.7	Confident	94.4	Very high	50 Å²	50	41.1 Å²	41.1	33%	0.325	20%	0.196	S	C	.	.			trans	-70.2	-30.8	-172.2	26	-34.5	0	0	0	114.3	Y238 I244 R245	Y238-P240 HydrophobicContact CD1-CG 4.16Å; Y238-P240 HydrophobicContact CE1-CB 3.97Å; Y238-P240 HydrophobicContact CE1-CG 3.63Å; Y238-P240 HydrophobicContact CE2-CB 4.41Å; P240-I244 HydrophobicContact CG-CD1 3.88Å; P240-R245 PolarHBondContact O-NH2 2.63Å
241	D	91.2	Very high	94.4	Very high	64 Å²	64	40.7 Å²	40.7	34%	0.342	19%	0.194	S	C	.	.	S	Bend	trans	-130.2	174.2	-171	60.4	57.5	0	0	0	112.8	E243 I244 R245	D241-E243 WeakPolarHBondContact OD1-CB 3.04Å; D241-E243 PolarHBondContact OD1-N 3.3Å; D241-E243 VanDerWaalsContact OD1-N 3.1Å; D241-I244 WeakPolarHBondContact OD1-CG1 3.17Å; D241-I244 PolarHBondContact OD1-N 3.04Å; D241-R245 WeakPolarHBondContact O-CG 3.4Å; D241-R245 PolarHBondContact O-N 3.13Å
242	E	90.9	Very high	94.4	Very high	107 Å²	107	43 Å²	43	50%	0.5	20%	0.198	S	C	.	.	H	α-helix	trans	-73.8	-26.1	-175.4	-166.1	57.1	-154.5	0	0	113.5	R245 Q246	E242-R245 PolarHBondContact O-N 2.81Å; E242-R245 WeakPolarHBondContact OE2-CD 3.39Å; E242-R245 IonicContact OE2-CZ 3.54Å; E242-R245 IonicContact OE2-NH1 2.73Å; E242-R245 PolarHBondContact OE2-NH1 2.7Å; E242-Q246 WeakPolarHBondContact O-CG 3.24Å; E242-Q246 PolarHBondContact O-N 3.13Å
243	E	93	Very high	94.5	Very high	146 Å²	146	49 Å²	49	68%	0.682	22%	0.224	S	C	*	.	H	α-helix	trans	-66.6	-48.3	177.8	-177.6	172.8	-172.7	0	0	109.7	D241 R245 Q246 D247	D241-E243 WeakPolarHBondContact OD1-CB 3.04Å; D241-E243 PolarHBondContact OD1-N 3.3Å; D241-E243 VanDerWaalsContact OD1-N 3.1Å; E243-R245 VanDerWaalsContact C-N 3.29Å; E243-R245 PolarHBondContact O-N 3.2Å; E243-Q246 WeakPolarHBondContact O-CB 3.45Å; E243-Q246 PolarHBondContact O-N 3.35Å; E243-Q246 VanDerWaalsContact O-N 3.15Å; E243-D247 PolarHBondContact O-N 2.92Å; E243-D247 VanDerWaalsContact O-N 3.09Å
244	I	93.3	Very high	94.5	Very high	20 Å²	20	50.4 Å²	50.4	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-35.5	176.1	-61.7	171.1	0	0	0	110.7	F208 C239 P240 D241 Q246 D247 V248	F208-I244 HydrophobicContact CB-CG2 3.94Å; F208-I244 HydrophobicContact CD1-CG2 4.47Å; C239-I244 HydrophobicContact CB-CG2 4.2Å; P240-I244 HydrophobicContact CG-CD1 3.88Å; D241-I244 WeakPolarHBondContact OD1-CG1 3.17Å; D241-I244 PolarHBondContact OD1-N 3.04Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 2.99Å; I244-D247 PolarHBondContact O-N 3.16Å; I244-D247 VanDerWaalsContact O-N 3.16Å; I244-V248 HydrophobicContact CG2-CG2 4.38Å; I244-V248 WeakPolarHBondContact O-CG2 3.37Å; I244-V248 PolarHBondContact O-N 3.21Å
245	R	93.8	Very high	94.4	Very high	52 Å²	52	50.5 Å²	50.5	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-42.1	174.8	-72.5	-173.1	-161.2	93.6	14.7	112	C239 P240 D241 E242 E243 D247 V248 E249 D277 M280	C239-R245 VanDerWaalsContact SG-CA 3.52Å; C239-R245 WeakPolarHBondContact SG-CG 3.22Å; C239-R245 PolarHBondContact SG-N 3.33Å; P240-R245 PolarHBondContact O-NH2 2.63Å; D241-R245 WeakPolarHBondContact O-CG 3.4Å; D241-R245 PolarHBondContact O-N 3.13Å; E242-R245 PolarHBondContact O-N 2.81Å; E242-R245 WeakPolarHBondContact OE2-CD 3.39Å; E242-R245 IonicContact OE2-CZ 3.54Å; E242-R245 IonicContact OE2-NH1 2.73Å; E242-R245 PolarHBondContact OE2-NH1 2.7Å; E243-R245 VanDerWaalsContact C-N 3.29Å; E243-R245 PolarHBondContact O-N 3.2Å; R245-D247 VanDerWaalsContact C-N 3.29Å; R245-D247 PolarHBondContact O-N 2.92Å; R245-V248 PolarHBondContact O-N 3.21Å; R245-E249 WeakPolarHBondContact O-CB 3.48Å; R245-E249 PolarHBondContact O-N 2.88Å; R245-D277 PolarHBondContact NH2-O 3.26Å; R245-M280 HydrophobicContact CB-CE 4.12Å; R245-M280 HydrophobicContact CG-CE 3.61Å
246	Q	94.6	Very high	94.4	Very high	115 Å²	115	53.8 Å²	53.8	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-36.2	176.7	-70.3	174.4	19.9	0	0	111.8	E242 E243 I244 E249 K250	E242-Q246 WeakPolarHBondContact O-CG 3.24Å; E242-Q246 PolarHBondContact O-N 3.13Å; E243-Q246 WeakPolarHBondContact O-CB 3.45Å; E243-Q246 PolarHBondContact O-N 3.35Å; E243-Q246 VanDerWaalsContact O-N 3.15Å; I244-Q246 VanDerWaalsContact C-N 3.33Å; I244-Q246 PolarHBondContact O-N 2.99Å; Q246-E249 WeakPolarHBondContact O-CB 3.39Å; Q246-E249 PolarHBondContact O-N 3.44Å; Q246-K250 WeakPolarHBondContact O-CG 3.17Å; Q246-K250 PolarHBondContact O-N 3.38Å; Q246-K250 VanDerWaalsContact O-N 3.12Å
247	D	95.7	Very high	94.3	Very high	20 Å²	20	57.7 Å²	57.7	11%	0.107	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-42.1	175.9	-85.8	6.1	0	0	0	112.5	F208 M209 Y210 E243 I244 R245 E249 K250 L251	F208-D247 HydrophobicContact CD1-CB 3.89Å; F208-D247 VanDerWaalsContact CE1-C 3.49Å; F208-D247 HydrophobicContact CE1-CB 3.83Å; M209-D247 WeakPolarHBondContact CA-OD2 3.32Å; Y210-D247 PolarHBondContact N-OD2 3.33Å; E243-D247 PolarHBondContact O-N 2.92Å; E243-D247 VanDerWaalsContact O-N 3.09Å; I244-D247 PolarHBondContact O-N 3.16Å; I244-D247 VanDerWaalsContact O-N 3.16Å; R245-D247 VanDerWaalsContact C-N 3.29Å; R245-D247 PolarHBondContact O-N 2.92Å; D247-E249 PolarHBondContact O-N 2.93Å; D247-K250 WeakPolarHBondContact O-CB 3.43Å; D247-K250 PolarHBondContact O-N 3.14Å; D247-K250 WeakPolarHBondContact OD1-CE 3.28Å; D247-K250 IonicContact OD1-NZ 3.82Å; D247-K250 PolarHBondContact OD1-NZ 2.7Å; D247-L251 PolarHBondContact O-N 3.33Å; D247-L251 VanDerWaalsContact O-N 3.11Å
248	V	95.6	Very high	94.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-33.9	173.7	176.5	0	0	0	0	111.3	F208 I237 I244 R245 K250 L251 R252 L264 M280	F208-V248 HydrophobicContact CD1-CG2 3.71Å; F208-V248 HydrophobicContact CE1-CG2 4.03Å; F208-V248 HydrophobicContact CG-CG2 4.08Å; I237-V248 HydrophobicContact CB-CG2 4.48Å; I237-V248 HydrophobicContact CD1-CG1 3.89Å; I237-V248 HydrophobicContact CD1-CG2 3.87Å; I237-V248 HydrophobicContact CG2-CG2 3.87Å; I244-V248 HydrophobicContact CG2-CG2 4.38Å; I244-V248 WeakPolarHBondContact O-CG2 3.37Å; I244-V248 PolarHBondContact O-N 3.21Å; R245-V248 PolarHBondContact O-N 3.21Å; V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 3.48Å; V248-L251 WeakPolarHBondContact O-CB 2.98Å; V248-L251 PolarHBondContact O-N 2.82Å; V248-R252 PolarHBondContact O-N 3.37Å; V248-L264 HydrophobicContact CG1-CD1 3.78Å; V248-L264 HydrophobicContact CG1-CD2 3.91Å; V248-M280 HydrophobicContact CB-SD 4.03Å; V248-M280 HydrophobicContact CG1-CB 4.46Å; V248-M280 HydrophobicContact CG1-SD 3.71Å; V248-M280 HydrophobicContact CG2-SD 4.49Å
249	E	95.6	Very high	94.1	Very high	44 Å²	44	62.2 Å²	62.2	21%	0.206	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-33.8	173.6	-178.8	54.1	-139.5	0	0	112.5	R245 Q246 D247 R252 K253	R245-E249 WeakPolarHBondContact O-CB 3.48Å; R245-E249 PolarHBondContact O-N 2.88Å; Q246-E249 WeakPolarHBondContact O-CB 3.39Å; Q246-E249 PolarHBondContact O-N 3.44Å; D247-E249 PolarHBondContact O-N 2.93Å; E249-R252 VanDerWaalsContact CD-NE 3.34Å; E249-R252 WeakPolarHBondContact O-CB 3.06Å; E249-R252 PolarHBondContact O-N 3.25Å; E249-R252 IonicContact OE1-CZ 2.98Å; E249-R252 IonicContact OE1-NE 3.28Å; E249-R252 PolarHBondContact OE1-NE 2.88Å; E249-R252 IonicContact OE1-NH2 3.45Å; E249-R252 PolarHBondContact OE1-NH2 3.37Å; E249-R252 IonicContact OE2-CZ 3.89Å; E249-R252 IonicContact OE2-NE 2.9Å; E249-R252 PolarHBondContact OE2-NE 2.85Å; E249-R252 IonicContact OE2-NH1 2.7Å; E249-R252 PolarHBondContact OE2-NH1 3.25Å; E249-R252 IonicContact OE2-NH2 2.91Å; E249-R252 PolarHBondContact OE2-NH2 3.3Å; E249-K253 WeakPolarHBondContact O-CG 3.16Å; E249-K253 PolarHBondContact O-N 2.99Å; E249-K253 VanDerWaalsContact O-N 3.13Å; E249-K253 WeakPolarHBondContact OE1-CE 3.42Å
250	K	96.4	Very high	94	Very high	92 Å²	92	62.5 Å²	62.5	40%	0.4	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-41.8	171.4	-65.2	168.4	-169.1	162	0	111.1	Y210 Q246 D247 V248 R252 K253 Y254	Y210-K250 HydrophobicContact CD1-CB 3.85Å; Y210-K250 HydrophobicContact CD1-CD 3.78Å; Y210-K250 HydrophobicContact CD1-CG 4.44Å; Y210-K250 HydrophobicContact CD2-CB 3.65Å; Y210-K250 HydrophobicContact CE1-CB 4.11Å; Y210-K250 HydrophobicContact CE2-CB 3.91Å; Y210-K250 HydrophobicContact CG-CB 3.62Å; Y210-K250 HydrophobicContact CG-CD 3.91Å; Y210-K250 HydrophobicContact CG-CG 4.44Å; Q246-K250 WeakPolarHBondContact O-CG 3.17Å; Q246-K250 PolarHBondContact O-N 3.38Å; Q246-K250 VanDerWaalsContact O-N 3.12Å; D247-K250 WeakPolarHBondContact O-CB 3.43Å; D247-K250 PolarHBondContact O-N 3.14Å; D247-K250 WeakPolarHBondContact OD1-CE 3.28Å; D247-K250 IonicContact OD1-NZ 3.82Å; D247-K250 PolarHBondContact OD1-NZ 2.7Å; V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 3.48Å; K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 3.44Å; K250-K253 PolarHBondContact O-N 2.74Å; K250-Y254 WeakPolarHBondContact O-CB 3.27Å; K250-Y254 PolarHBondContact O-N 2.82Å
251	L	95.6	Very high	94.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-44.8	172.7	168.3	161.8	0	0	0	111.9	F208 Y210 L218 L235 I237 D247 V248 K253 Y254 L255	F208-L251 HydrophobicContact CE2-CD1 3.41Å; F208-L251 VanDerWaalsContact CE2-CD1 3.41Å; F208-L251 HydrophobicContact CZ-CB 3.84Å; F208-L251 HydrophobicContact CZ-CD1 3.43Å; F208-L251 VanDerWaalsContact CZ-CD1 3.43Å; F208-L251 HydrophobicContact CZ-CG 4.3Å; Y210-L251 HydrophobicContact CD2-CB 4.22Å; Y210-L251 HydrophobicContact CE2-CB 4.3Å; L218-L251 HydrophobicContact CD1-CB 4.07Å; L218-L251 HydrophobicContact CD1-CD1 4.09Å; L218-L251 HydrophobicContact CD1-CG 3.77Å; L218-L251 HydrophobicContact CD2-CD1 3.6Å; L218-L251 HydrophobicContact CD2-CG 3.76Å; L218-L251 HydrophobicContact CG-CD1 4.4Å; L218-L251 HydrophobicContact CG-CG 4.43Å; L235-L251 HydrophobicContact CD2-CD1 3.95Å; I237-L251 HydrophobicContact CD1-CD1 4.28Å; D247-L251 PolarHBondContact O-N 3.33Å; D247-L251 VanDerWaalsContact O-N 3.11Å; V248-L251 WeakPolarHBondContact O-CB 2.98Å; V248-L251 PolarHBondContact O-N 2.82Å; L251-K253 PolarHBondContact O-N 3.37Å; L251-Y254 PolarHBondContact O-N 2.83Å; L251-L255 HydrophobicContact CD2-CD1 3.64Å; L251-L255 HydrophobicContact CD2-CG 4.42Å; L251-L255 HydrophobicContact CG-CD1 4.26Å; L251-L255 WeakPolarHBondContact O-CG 3.35Å; L251-L255 PolarHBondContact O-N 2.9Å
252	R	95.4	Very high	94.3	Very high	87 Å²	87	63.3 Å²	63.3	33%	0.328	30%	0.302	S	S	.	.	H	α-helix	trans	-56.7	-51.6	176.4	-174.9	179.4	74.4	174.2	5.2	111.1	V248 E249 K250 Y254 L255 E256 V262	V248-R252 PolarHBondContact O-N 3.37Å; E249-R252 VanDerWaalsContact CD-NE 3.34Å; E249-R252 WeakPolarHBondContact O-CB 3.06Å; E249-R252 PolarHBondContact O-N 3.25Å; E249-R252 IonicContact OE1-CZ 2.98Å; E249-R252 IonicContact OE1-NE 3.28Å; E249-R252 PolarHBondContact OE1-NE 2.88Å; E249-R252 IonicContact OE1-NH2 3.45Å; E249-R252 PolarHBondContact OE1-NH2 3.37Å; E249-R252 IonicContact OE2-CZ 3.89Å; E249-R252 IonicContact OE2-NE 2.9Å; E249-R252 PolarHBondContact OE2-NE 2.85Å; E249-R252 IonicContact OE2-NH1 2.7Å; E249-R252 PolarHBondContact OE2-NH1 3.25Å; E249-R252 IonicContact OE2-NH2 2.91Å; E249-R252 PolarHBondContact OE2-NH2 3.3Å; K250-R252 VanDerWaalsContact C-N 3.33Å; K250-R252 PolarHBondContact O-N 3.44Å; R252-Y254 VanDerWaalsContact C-N 3.3Å; R252-Y254 PolarHBondContact O-N 3.22Å; R252-L255 PolarHBondContact O-N 2.86Å; R252-E256 WeakPolarHBondContact O-CG 3.34Å; R252-E256 PolarHBondContact O-N 2.82Å; R252-V262 HydrophobicContact CG-CG1 3.64Å
253	K	96	Very high	94.5	Very high	124 Å²	124	61.1 Å²	61.1	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-60.2	-40.5	179.6	-70	170.9	-176.4	170.1	0	112	E249 K250 L251 E256 S257	E249-K253 WeakPolarHBondContact O-CG 3.16Å; E249-K253 PolarHBondContact O-N 2.99Å; E249-K253 VanDerWaalsContact O-N 3.13Å; E249-K253 WeakPolarHBondContact OE1-CE 3.42Å; K250-K253 PolarHBondContact O-N 2.74Å; L251-K253 PolarHBondContact O-N 3.37Å; K253-E256 PolarHBondContact O-N 3.28Å; K253-S257 WeakPolarHBondContact O-CB 3.37Å; K253-S257 PolarHBondContact O-N 2.81Å
254	Y	96.5	Very high	94.6	Very high	33 Å²	33	55.8 Å²	55.8	13%	0.129	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-53	176.5	179.1	-91.4	0	0	0	111.4	Y210 V215 L218 E219 K250 L251 R252 E256 S257 V258	Y210-Y254 WeakPolarHBondContact OH-CB 3.44Å; Y210-Y254 WeakPolarHBondContact OH-CD2 3.19Å; V215-Y254 HydrophobicContact CG1-CE2 3.85Å; L218-Y254 HydrophobicContact CB-CD1 3.87Å; L218-Y254 HydrophobicContact CB-CE1 3.77Å; L218-Y254 HydrophobicContact CD1-CD1 3.9Å; L218-Y254 HydrophobicContact CD1-CG 4.44Å; E219-Y254 HydrophobicContact CG-CE1 4.43Å; E219-Y254 WeakPolarHBondContact CG-OH 3.16Å; E219-Y254 PolarHBondContact OE1-OH 2.91Å; K250-Y254 WeakPolarHBondContact O-CB 3.27Å; K250-Y254 PolarHBondContact O-N 2.82Å; L251-Y254 PolarHBondContact O-N 2.83Å; R252-Y254 VanDerWaalsContact C-N 3.3Å; R252-Y254 PolarHBondContact O-N 3.22Å; Y254-E256 VanDerWaalsContact C-N 3.28Å; Y254-E256 PolarHBondContact O-N 2.91Å; Y254-S257 WeakPolarHBondContact O-CB 3.41Å; Y254-S257 PolarHBondContact O-N 3.14Å; Y254-S257 PolarHBondContact O-OG 3.18Å; Y254-V258 HydrophobicContact CE1-CG1 4.17Å; Y254-V258 HydrophobicContact CE1-CG2 4.39Å; Y254-V258 PolarHBondContact O-N 3.16Å; Y254-V258 VanDerWaalsContact O-N 3.14Å
255	L	95	Very high	94.7	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-39.7	179.1	-69.3	176	0	0	0	112.2	L218 L251 R252 V258 V260 V262 I284	L218-L255 HydrophobicContact CB-CD2 4.44Å; L218-L255 HydrophobicContact CD2-CD2 4.25Å; L218-L255 HydrophobicContact CD2-CG 4.5Å; L251-L255 HydrophobicContact CD2-CD1 3.64Å; L251-L255 HydrophobicContact CD2-CG 4.42Å; L251-L255 HydrophobicContact CG-CD1 4.26Å; L251-L255 WeakPolarHBondContact O-CG 3.35Å; L251-L255 PolarHBondContact O-N 2.9Å; R252-L255 PolarHBondContact O-N 2.86Å; L255-V258 WeakPolarHBondContact O-CG2 3.36Å; L255-V258 PolarHBondContact O-N 2.95Å; L255-V260 WeakPolarHBondContact O-CB 3.42Å; L255-V260 PolarHBondContact O-N 2.85Å; L255-V262 HydrophobicContact CB-CG1 4.38Å; L255-V262 HydrophobicContact CD1-CG2 4.28Å; L255-I284 HydrophobicContact CD1-CD1 3.81Å; L255-I284 HydrophobicContact CD1-CG1 3.91Å; L255-I284 HydrophobicContact CD2-CD1 4.16Å
256	E	94.8	Very high	94.7	Very high	79 Å²	79	57 Å²	57	37%	0.369	28%	0.279	S	S	.	.	H	α-helix	trans	-65.5	-38.4	175	-69.5	-177.9	154.9	0	0	112.1	R252 K253 Y254 V258 N259 V262 R287	R252-E256 WeakPolarHBondContact O-CG 3.34Å; R252-E256 PolarHBondContact O-N 2.82Å; K253-E256 PolarHBondContact O-N 3.28Å; Y254-E256 VanDerWaalsContact C-N 3.28Å; Y254-E256 PolarHBondContact O-N 2.91Å; E256-V258 VanDerWaalsContact C-N 3.27Å; E256-V258 PolarHBondContact O-N 3.29Å; E256-N259 WeakPolarHBondContact O-CA 3.28Å; E256-N259 PolarHBondContact O-N 3.23Å; E256-V262 HydrophobicContact CG-CG1 3.61Å; E256-R287 IonicContact OE1-NH2 2.9Å; E256-R287 PolarHBondContact OE1-NH2 2.89Å
257	S	94.9	Very high	94.6	Very high	82 Å²	82	51.8 Å²	51.8	57%	0.573	26%	0.255	S	S	*	.	H	α-helix	trans	-63.7	-31.5	177.8	80.8	0	0	0	0	113.1	K253 Y254 N259	K253-S257 WeakPolarHBondContact O-CB 3.37Å; K253-S257 PolarHBondContact O-N 2.81Å; Y254-S257 WeakPolarHBondContact O-CB 3.41Å; Y254-S257 PolarHBondContact O-N 3.14Å; Y254-S257 PolarHBondContact O-OG 3.18Å; S257-N259 PolarHBondContact O-N 2.88Å
258	V	94.1	Very high	94.4	Very high	37 Å²	37	51 Å²	51	22%	0.224	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	20.7	173.7	-59	0	0	0	0	112.1	A222 R226 Y254 L255 E256 V260	A222-V258 HydrophobicContact CB-CG2 4.33Å; R226-V258 PolarHBondContact NH2-O 3.29Å; Y254-V258 HydrophobicContact CE1-CG1 4.17Å; Y254-V258 HydrophobicContact CE1-CG2 4.39Å; Y254-V258 PolarHBondContact O-N 3.16Å; Y254-V258 VanDerWaalsContact O-N 3.14Å; L255-V258 WeakPolarHBondContact O-CG2 3.36Å; L255-V258 PolarHBondContact O-N 2.95Å; E256-V258 VanDerWaalsContact C-N 3.27Å; E256-V258 PolarHBondContact O-N 3.29Å; V258-V260 VanDerWaalsContact C-N 3.29Å; V258-V260 HydrophobicContact CG2-CB 4.48Å; V258-V260 HydrophobicContact CG2-CG2 4.07Å; V258-V260 PolarHBondContact O-N 3.11Å
259	N	90.9	Very high	93.8	Very high	151 Å²	151	52.7 Å²	52.7	81%	0.807	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	34.1	177	-62.8	-57.8	0	0	0	114.3	E256 S257	E256-N259 WeakPolarHBondContact O-CA 3.28Å; E256-N259 PolarHBondContact O-N 3.23Å; S257-N259 PolarHBondContact O-N 2.88Å
260	V	92	Very high	93	Very high	8 Å²	8	53 Å²	53	5%	0.048	27%	0.268	C	S	.	.			trans	-104.4	126.1	173.5	176.5	0	0	0	0	108.9	A222 L255 V258 V262 I284	A222-V260 HydrophobicContact CB-CG2 4.19Å; L255-V260 WeakPolarHBondContact O-CB 3.42Å; L255-V260 PolarHBondContact O-N 2.85Å; V258-V260 VanDerWaalsContact C-N 3.29Å; V258-V260 HydrophobicContact CG2-CB 4.48Å; V258-V260 HydrophobicContact CG2-CG2 4.07Å; V258-V260 PolarHBondContact O-N 3.11Å; V260-V262 PolarHBondContact O-N 2.82Å; V260-I284 HydrophobicContact CG1-CB 4.13Å; V260-I284 HydrophobicContact CG1-CD1 4.44Å; V260-I284 HydrophobicContact CG1-CG1 4.08Å; V260-I284 HydrophobicContact CG1-CG2 3.13Å
261	K	92.2	Very high	92	Very high	130 Å²	130	56.7 Å²	56.7	57%	0.565	29%	0.291	S	S	*	.			trans	-73.9	121.6	176.1	-68.4	178.3	-175.3	170.3	0	108.9	I284 G285	K261-I284 WeakPolarHBondContact O-CA 3.48Å; K261-G285 WeakPolarHBondContact CB-O 3.43Å; K261-G285 PolarHBondContact O-N 3.29Å
262	V	94.3	Very high	91.3	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.1	176.3	60	0	0	0	0	110.3	R252 L255 E256 V260 A282 V283 R287	R252-V262 HydrophobicContact CG-CG1 3.64Å; L255-V262 HydrophobicContact CB-CG1 4.38Å; L255-V262 HydrophobicContact CD1-CG2 4.28Å; E256-V262 HydrophobicContact CG-CG1 3.61Å; V260-V262 PolarHBondContact O-N 2.82Å; V262-A282 HydrophobicContact CG2-CB 4.43Å; V262-V283 CarbonylContact C-O 3.49Å; V262-V283 WeakPolarHBondContact CA-O 3.3Å; V262-R287 PolarHBondContact O-NE 3.35Å; V262-R287 VanDerWaalsContact O-NE 3.1Å; V262-R287 PolarHBondContact O-NH2 2.62Å
263	K	94.5	Very high	90.3	Very high	61 Å²	61	66.9 Å²	66.9	27%	0.265	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.1	166.4	-175	175.3	174.1	-144.4	0	107.8	E265 A282 V283 R287 F296	K263-E265 WeakPolarHBondContact CE-OE1 3.37Å; K263-E265 IonicContact NZ-OE1 3.31Å; K263-E265 PolarHBondContact NZ-OE1 3.09Å; K263-A282 CarbonylContact O-C 3.59Å; K263-A282 WeakPolarHBondContact O-CA 3.28Å; K263-V283 PolarHBondContact N-O 2.98Å; K263-V283 PolarHBondContact O-N 3.5Å; K263-R287 HydrophobicContact CB-CG 4.36Å; K263-F296 HydrophobicContact CB-CE2 3.94Å; K263-F296 HydrophobicContact CB-CZ 3.88Å; K263-F296 HydrophobicContact CD-CD2 4.03Å; K263-F296 HydrophobicContact CD-CE2 3.48Å; K263-F296 VanDerWaalsContact CD-CE2 3.48Å; K263-F296 HydrophobicContact CD-CZ 3.84Å; K263-F296 HydrophobicContact CG-CE1 4.49Å; K263-F296 HydrophobicContact CG-CE2 3.77Å; K263-F296 HydrophobicContact CG-CZ 3.64Å
264	L	95.1	Very high	89.5	Confident	34 Å²	34	68.1 Å²	68.1	18%	0.178	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.8	-178.1	-175.2	69.8	0	0	0	108.3	V248 M280 L281 A282	V248-L264 HydrophobicContact CG1-CD1 3.78Å; V248-L264 HydrophobicContact CG1-CD2 3.91Å; L264-M280 HydrophobicContact CD1-CB 4.04Å; L264-M280 HydrophobicContact CD1-SD 4.37Å; L264-M280 HydrophobicContact CD2-SD 4.14Å; L264-M280 HydrophobicContact CG-SD 4.41Å; L264-L281 WeakPolarHBondContact CA-O 3.4Å; L264-A282 HydrophobicContact CD1-CB 3.71Å
265	E	95.3	Very high	88.9	Confident	61 Å²	61	67.5 Å²	67.5	29%	0.285	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.4	170.2	-63.8	-174.1	177.3	0	0	110.5	K263 M280 L281 F296 V300	K263-E265 WeakPolarHBondContact CE-OE1 3.37Å; K263-E265 IonicContact NZ-OE1 3.31Å; K263-E265 PolarHBondContact NZ-OE1 3.09Å; E265-M280 WeakPolarHBondContact O-CA 3.47Å; E265-L281 PolarHBondContact N-O 3.49Å; E265-L281 VanDerWaalsContact N-O 3.09Å; E265-L281 PolarHBondContact O-N 2.83Å; E265-F296 HydrophobicContact CB-CD1 3.85Å; E265-F296 HydrophobicContact CB-CE1 3.58Å; E265-F296 VanDerWaalsContact CD-CD1 3.46Å; E265-F296 HydrophobicContact CG-CD1 3.76Å; E265-F296 HydrophobicContact CG-CE1 3.53Å; E265-F296 HydrophobicContact CG-CZ 4.35Å; E265-F296 WeakPolarHBondContact OE2-CD1 3.34Å; E265-V300 HydrophobicContact CB-CG1 4.06Å; E265-V300 HydrophobicContact CB-CG2 4.25Å
266	A	94.3	Very high	88.5	Confident	35 Å²	35	72.1 Å²	72.1	29%	0.289	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	151.2	175.6	0	0	0	0	0	110.5	D277 F279 M280	A266-D277 HydrophobicContact CB-CB 3.81Å; A266-D277 WeakPolarHBondContact CB-OD2 3.39Å; A266-F279 CarbonylContact C-O 3.23Å; A266-F279 WeakPolarHBondContact CA-O 3.45Å; A266-M280 HydrophobicContact CB-CE 3.94Å; A266-M280 HydrophobicContact CB-CG 3.94Å
267	F	93	Very high	88.3	Confident	6 Å²	6	71.6 Å²	71.6	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	158.7	172.4	65.6	-74.5	0	0	0	112.3	L236 C269 D277 N278 F279 L281 V299 V300 K303	L236-F267 HydrophobicContact CD1-CE1 3.89Å; L236-F267 HydrophobicContact CD1-CZ 3.8Å; F267-C269 WeakPolarHBondContact CE2-SG 3.27Å; F267-D277 VanDerWaalsContact CA-OD1 3.22Å; F267-D277 WeakPolarHBondContact CA-OD1 3.37Å; F267-D277 WeakPolarHBondContact O-CA 3.36Å; F267-N278 PolarHBondContact O-N 2.82Å; F267-F279 HydrophobicContact CD1-CB 3.96Å; F267-F279 HydrophobicContact CD2-CB 4.43Å; F267-F279 HydrophobicContact CE1-CB 3.48Å; F267-F279 VanDerWaalsContact CE1-CB 3.48Å; F267-F279 HydrophobicContact CE2-CB 4.03Å; F267-F279 HydrophobicContact CE2-CG 4.48Å; F267-F279 HydrophobicContact CG-CB 4.42Å; F267-F279 HydrophobicContact CZ-CB 3.53Å; F267-F279 HydrophobicContact CZ-CG 4.14Å; F267-F279 PolarHBondContact N-O 3.04Å; F267-F279 PolarHBondContact O-N 3.06Å; F267-L281 HydrophobicContact CE1-CB 4.39Å; F267-V299 HydrophobicContact CE1-CG1 3.99Å; F267-V299 HydrophobicContact CZ-CG1 3.77Å; F267-V300 HydrophobicContact CB-CB 4.5Å; F267-V300 HydrophobicContact CB-CG1 3.84Å; F267-V300 HydrophobicContact CD1-CB 4.31Å; F267-V300 HydrophobicContact CD1-CG1 4.29Å; F267-V300 HydrophobicContact CD1-CG2 3.89Å; F267-V300 HydrophobicContact CE1-CG2 4.25Å; F267-V300 HydrophobicContact CG-CB 4.49Å; F267-V300 HydrophobicContact CG-CG1 4.31Å; F267-K303 HydrophobicContact CD2-CB 4.49Å
268	S	90.1	Very high	88.2	Confident	4 Å²	4	69.2 Å²	69.2	3%	0.028	37%	0.371	C	S	.	.			trans	-101.5	131.3	169.5	-164.6	0	0	0	0	111.1	T270 P276 D277 N278 K303	S268-T270 PolarHBondContact O-N 3.11Å; S268-T270 PolarHBondContact OG-N 2.57Å; S268-T270 PolarHBondContact OG-OG1 3.47Å; S268-P276 VanDerWaalsContact CB-O 3.26Å; S268-P276 WeakPolarHBondContact CB-O 3.39Å; S268-P276 PolarHBondContact OG-O 3.04Å; S268-D277 PolarHBondContact N-OD1 3.47Å; S268-D277 VanDerWaalsContact N-OD1 3.1Å; S268-N278 WeakPolarHBondContact CA-OD1 3.35Å; S268-K303 WeakPolarHBondContact O-CB 3.4Å; S268-K303 WeakPolarHBondContact O-CD 3.26Å; S268-K303 WeakPolarHBondContact O-CE 3.13Å; S268-K303 VanDerWaalsContact O-CG 3.26Å; S268-K303 WeakPolarHBondContact O-CG 3.18Å
269	C	83.2	Confident	88.3	Confident	36 Å²	36	68.6 Å²	68.6	24%	0.243	37%	0.366	C	S	.	.	S	Bend	trans	-77.7	-7.7	171.4	-70.5	0	0	0	0	113.6	F267 N278 F279 S305	F267-C269 WeakPolarHBondContact CE2-SG 3.27Å; C269-N278 PolarHBondContact N-OD1 3.41Å; C269-F279 HydrophobicContact CB-CD2 4.27Å; C269-F279 HydrophobicContact CB-CE2 4.15Å; C269-F279 WeakPolarHBondContact SG-CD2 3.43Å; C269-F279 VanDerWaalsContact SG-CE2 3.51Å; C269-S305 WeakPolarHBondContact SG-CB 3.47Å; C269-S305 PolarHBondContact SG-OG 3.26Å; C269-S305 VanDerWaalsContact SG-OG 3.42Å
270	T	80.4	Confident	88.5	Confident	51 Å²	51	62.4 Å²	62.4	31%	0.313	33%	0.332	S	S	.	.	S	Bend	trans	-82	146.6	177.3	68.1	0	0	0	0	110.4	S268 A275 K303	S268-T270 PolarHBondContact O-N 3.11Å; S268-T270 PolarHBondContact OG-N 2.57Å; S268-T270 PolarHBondContact OG-OG1 3.47Å; T270-A275 WeakPolarHBondContact OG1-CB 3.14Å; T270-K303 PolarHBondContact O-NZ 2.98Å
271	L	75	Confident	88.7	Confident	168 Å²	168	62 Å²	62	88%	0.88	33%	0.33	S	S	*	.			trans	-82.5	-6.3	175.9	-64.5	177.3	0	0	0	112.5
272	E	79.6	Confident	88.9	Confident	143 Å²	143	55.9 Å²	55.9	67%	0.668	30%	0.304	S	S	*	.	S	Bend	trans	-64.5	136	179.2	-70.2	179.5	-169.6	0	0	111.2	N274 A275	E272-N274 PolarHBondContact O-N 3.35Å; E272-A275 HydrophobicContact CB-CB 4.06Å; E272-A275 PolarHBondContact O-N 3.36Å
273	L	76.2	Confident	89	Confident	158 Å²	158	55.9 Å²	55.9	83%	0.827	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	124.6	176.4	-154.2	89.5	0	0	0	108.5	A275	L273-A275 VanDerWaalsContact C-N 3.34Å
274	N	79.2	Confident	89.1	Confident	150 Å²	150	53.3 Å²	53.3	80%	0.802	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	17.6	-177.8	-43.6	-49.8	0	0	0	116.2	E272	E272-N274 PolarHBondContact O-N 3.35Å
275	A	83	Confident	88.9	Confident	21 Å²	21	51.9 Å²	51.9	17%	0.174	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-60.6	143.1	169.9	0	0	0	0	0	111.4	T270 E272 L273	T270-A275 WeakPolarHBondContact OG1-CB 3.14Å; E272-A275 HydrophobicContact CB-CB 4.06Å; E272-A275 PolarHBondContact O-N 3.36Å; L273-A275 VanDerWaalsContact C-N 3.34Å
276	P	87.1	Confident	88.5	Confident	98 Å²	98	54.8 Å²	54.8	64%	0.636	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-63.1	145.7	177.8	27.3	-34	0	0	0	110.4	S268 N278	S268-P276 VanDerWaalsContact CB-O 3.26Å; S268-P276 WeakPolarHBondContact CB-O 3.39Å; S268-P276 PolarHBondContact OG-O 3.04Å; P276-N278 PolarHBondContact O-N 3.32Å
277	D	90.9	Very high	87.8	Confident	69 Å²	69	60 Å²	60	37%	0.369	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.5	126.9	172.1	-65.5	-33.6	0	0	0	109.3	R245 A266 F267 S268	R245-D277 PolarHBondContact NH2-O 3.26Å; A266-D277 HydrophobicContact CB-CB 3.81Å; A266-D277 WeakPolarHBondContact CB-OD2 3.39Å; F267-D277 VanDerWaalsContact CA-OD1 3.22Å; F267-D277 WeakPolarHBondContact CA-OD1 3.37Å; F267-D277 WeakPolarHBondContact O-CA 3.36Å; S268-D277 PolarHBondContact N-OD1 3.47Å; S268-D277 VanDerWaalsContact N-OD1 3.1Å
278	N	92.5	Very high	87.4	Confident	31 Å²	31	64.7 Å²	64.7	17%	0.166	35%	0.352	C	S	.	.			trans	-119	-0.4	-177.7	63.5	-19.2	0	0	0	112.9	Y238 C239 F267 S268 C269 P276	Y238-N278 WeakPolarHBondContact CD2-O 3.26Å; Y238-N278 HydrophobicContact CE2-CB 4.18Å; C239-N278 CarbonylContact C-O 3.51Å; C239-N278 PolarHBondContact N-O 3.5Å; C239-N278 CarbonylContact O-C 3.59Å; C239-N278 WeakPolarHBondContact O-CA 3.49Å; F267-N278 PolarHBondContact O-N 2.82Å; S268-N278 WeakPolarHBondContact CA-OD1 3.35Å; C269-N278 PolarHBondContact N-OD1 3.41Å; P276-N278 PolarHBondContact O-N 3.32Å
279	F	95.1	Very high	87.2	Confident	24 Å²	24	65.9 Å²	65.9	11%	0.105	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.8	172	-73	-91.6	0	0	0	110.8	L236 I237 Y238 A266 F267 C269	L236-F279 HydrophobicContact CD1-CB 4.35Å; L236-F279 HydrophobicContact CD1-CD1 4.05Å; L236-F279 HydrophobicContact CD2-CD1 4.41Å; L236-F279 HydrophobicContact CG-CD1 4.16Å; I237-F279 CarbonylContact O-C 3.45Å; I237-F279 WeakPolarHBondContact O-CA 3.31Å; Y238-F279 HydrophobicContact CD2-CD1 4.22Å; Y238-F279 HydrophobicContact CD2-CD2 4.32Å; Y238-F279 AromaticContact CD2-CE1 3.76Å; Y238-F279 HydrophobicContact CD2-CE1 3.76Å; Y238-F279 AromaticContact CD2-CE2 3.86Å; Y238-F279 HydrophobicContact CD2-CE2 3.86Å; Y238-F279 HydrophobicContact CD2-CG 4.49Å; Y238-F279 AromaticContact CD2-CZ 3.55Å; Y238-F279 HydrophobicContact CD2-CZ 3.55Å; Y238-F279 HydrophobicContact CE2-CE2 4.22Å; Y238-F279 HydrophobicContact CE2-CZ 4.21Å; Y238-F279 HydrophobicContact CG-CE1 4.3Å; Y238-F279 HydrophobicContact CG-CZ 4.42Å; A266-F279 CarbonylContact C-O 3.23Å; A266-F279 WeakPolarHBondContact CA-O 3.45Å; F267-F279 HydrophobicContact CD1-CB 3.96Å; F267-F279 HydrophobicContact CD2-CB 4.43Å; F267-F279 HydrophobicContact CE1-CB 3.48Å; F267-F279 VanDerWaalsContact CE1-CB 3.48Å; F267-F279 HydrophobicContact CE2-CB 4.03Å; F267-F279 HydrophobicContact CE2-CG 4.48Å; F267-F279 HydrophobicContact CG-CB 4.42Å; F267-F279 HydrophobicContact CZ-CB 3.53Å; F267-F279 HydrophobicContact CZ-CG 4.14Å; F267-F279 PolarHBondContact N-O 3.04Å; F267-F279 PolarHBondContact O-N 3.06Å; C269-F279 HydrophobicContact CB-CD2 4.27Å; C269-F279 HydrophobicContact CB-CE2 4.15Å; C269-F279 WeakPolarHBondContact SG-CD2 3.43Å; C269-F279 VanDerWaalsContact SG-CE2 3.51Å
280	M	95.8	Very high	87.5	Confident	21 Å²	21	66.3 Å²	66.3	10%	0.103	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.3	167.1	-72.6	-172.5	167.4	0	0	109.7	I237 C239 R245 V248 L264 E265 A266	I237-M280 PolarHBondContact N-O 3.16Å; I237-M280 PolarHBondContact O-N 3.05Å; C239-M280 HydrophobicContact CB-CG 4.23Å; R245-M280 HydrophobicContact CB-CE 4.12Å; R245-M280 HydrophobicContact CG-CE 3.61Å; V248-M280 HydrophobicContact CB-SD 4.03Å; V248-M280 HydrophobicContact CG1-CB 4.46Å; V248-M280 HydrophobicContact CG1-SD 3.71Å; V248-M280 HydrophobicContact CG2-SD 4.49Å; L264-M280 HydrophobicContact CD1-CB 4.04Å; L264-M280 HydrophobicContact CD1-SD 4.37Å; L264-M280 HydrophobicContact CD2-SD 4.14Å; L264-M280 HydrophobicContact CG-SD 4.41Å; E265-M280 WeakPolarHBondContact O-CA 3.47Å; A266-M280 HydrophobicContact CB-CE 3.94Å; A266-M280 HydrophobicContact CB-CG 3.94Å
281	L	96.7	Very high	87.9	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.9	169.5	179.6	70.6	0	0	0	108.8	F198 L264 E265 F267 V283 L295 F296 V299 V300	F198-L281 HydrophobicContact CE2-CD1 3.93Å; L264-L281 WeakPolarHBondContact CA-O 3.4Å; E265-L281 PolarHBondContact N-O 3.49Å; E265-L281 VanDerWaalsContact N-O 3.09Å; E265-L281 PolarHBondContact O-N 2.83Å; F267-L281 HydrophobicContact CE1-CB 4.39Å; L281-V283 HydrophobicContact CD1-CG2 4.31Å; L281-V283 HydrophobicContact CD2-CG2 3.82Å; L281-V283 HydrophobicContact CG-CG2 3.77Å; L281-L295 HydrophobicContact CD2-CD2 4.45Å; L281-L295 HydrophobicContact CD2-CG 4.05Å; L281-F296 HydrophobicContact CB-CE1 4.33Å; L281-F296 HydrophobicContact CD2-CD1 3.9Å; L281-F296 HydrophobicContact CD2-CE1 3.88Å; L281-F296 HydrophobicContact CD2-CG 4.4Å; L281-F296 HydrophobicContact CD2-CZ 4.4Å; L281-F296 HydrophobicContact CG-CE1 4.23Å; L281-V299 HydrophobicContact CB-CG1 4.39Å; L281-V299 HydrophobicContact CD1-CG1 4.32Å; L281-V299 HydrophobicContact CD2-CB 3.99Å; L281-V299 HydrophobicContact CD2-CG1 3.95Å; L281-V299 HydrophobicContact CG-CG1 4.44Å; L281-V300 HydrophobicContact CB-CG2 3.86Å; L281-V300 HydrophobicContact CD2-CG2 3.88Å
282	A	96.4	Very high	88.6	Confident	2 Å²	2	57.5 Å²	57.5	2%	0.017	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.3	169.3	0	0	0	0	0	109.2	L235 V262 K263 L264	L235-A282 HydrophobicContact CB-CB 4.28Å; L235-A282 PolarHBondContact N-O 3.19Å; L235-A282 PolarHBondContact O-N 2.95Å; V262-A282 HydrophobicContact CG2-CB 4.43Å; K263-A282 CarbonylContact O-C 3.59Å; K263-A282 WeakPolarHBondContact O-CA 3.28Å; L264-A282 HydrophobicContact CD1-CB 3.71Å
283	V	96.6	Very high	89	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.8	177.1	-172.7	0	0	0	0	109.5	F232 F233 V262 K263 L281 V292 L295 F296	F232-V283 HydrophobicContact CB-CG1 4.02Å; F233-V283 CarbonylContact O-C 3.49Å; F233-V283 WeakPolarHBondContact O-CA 3.22Å; V262-V283 CarbonylContact C-O 3.49Å; V262-V283 WeakPolarHBondContact CA-O 3.3Å; K263-V283 PolarHBondContact N-O 2.98Å; K263-V283 PolarHBondContact O-N 3.5Å; L281-V283 HydrophobicContact CD1-CG2 4.31Å; L281-V283 HydrophobicContact CD2-CG2 3.82Å; L281-V283 HydrophobicContact CG-CG2 3.77Å; V283-V292 HydrophobicContact CB-CG1 4.29Å; V283-V292 HydrophobicContact CG1-CB 4.37Å; V283-V292 HydrophobicContact CG1-CG1 3.85Å; V283-V292 HydrophobicContact CG1-CG2 3.89Å; V283-L295 HydrophobicContact CG1-CD2 4.16Å; V283-L295 HydrophobicContact CG2-CD2 3.7Å; V283-L295 HydrophobicContact CG2-CG 4.49Å; V283-F296 HydrophobicContact CB-CE2 3.78Å; V283-F296 HydrophobicContact CB-CZ 3.92Å; V283-F296 HydrophobicContact CG2-CD2 4.28Å; V283-F296 HydrophobicContact CG2-CE1 4.24Å; V283-F296 HydrophobicContact CG2-CE2 3.46Å; V283-F296 VanDerWaalsContact CG2-CE2 3.46Å; V283-F296 HydrophobicContact CG2-CZ 3.44Å; V283-F296 VanDerWaalsContact CG2-CZ 3.44Å
284	I	95.3	Very high	89.6	Confident	6 Å²	6	52 Å²	52	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.4	169.1	-65.1	167.1	0	0	0	108.3	V221 F225 F232 F233 L255 V260 K261	V221-I284 HydrophobicContact CG1-CD1 3.63Å; F225-I284 HydrophobicContact CD1-CG2 4.01Å; F225-I284 HydrophobicContact CD2-CB 4.45Å; F225-I284 HydrophobicContact CD2-CG2 3.53Å; F225-I284 HydrophobicContact CE1-CG2 4.08Å; F225-I284 HydrophobicContact CE2-CG2 3.63Å; F225-I284 HydrophobicContact CG-CG2 3.76Å; F225-I284 HydrophobicContact CZ-CG2 3.92Å; F232-I284 CarbonylContact C-O 3.57Å; F232-I284 VanDerWaalsContact CA-O 3.26Å; F232-I284 WeakPolarHBondContact CA-O 3.24Å; F233-I284 HydrophobicContact CB-CB 4.1Å; F233-I284 HydrophobicContact CB-CD1 4.48Å; F233-I284 HydrophobicContact CG-CD1 4.49Å; F233-I284 PolarHBondContact N-O 3.2Å; F233-I284 PolarHBondContact O-N 2.98Å; L255-I284 HydrophobicContact CD1-CD1 3.81Å; L255-I284 HydrophobicContact CD1-CG1 3.91Å; L255-I284 HydrophobicContact CD2-CD1 4.16Å; V260-I284 HydrophobicContact CG1-CB 4.13Å; V260-I284 HydrophobicContact CG1-CD1 4.44Å; V260-I284 HydrophobicContact CG1-CG1 4.08Å; V260-I284 HydrophobicContact CG1-CG2 3.13Å; K261-I284 WeakPolarHBondContact O-CA 3.48Å
285	G	91.7	Very high	90.2	Very high	5 Å²	5	44.9 Å²	44.9	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.1	-179.3	-179.3	0	0	0	0	0	112.9	K261 R287	K261-G285 WeakPolarHBondContact CB-O 3.43Å; K261-G285 PolarHBondContact O-N 3.29Å; G285-R287 PolarHBondContact O-N 2.83Å
286	E	87.6	Confident	90.6	Very high	121 Å²	121	44.1 Å²	44.1	57%	0.565	23%	0.231	S	C	*	.			trans	-70	121.1	177.5	-67.3	-168	157.2	0	0	111.4	A288 N289	E286-A288 PolarHBondContact O-N 3.48Å; E286-A288 VanDerWaalsContact O-N 3.16Å; E286-N289 HydrophobicContact CB-CB 4.14Å; E286-N289 WeakPolarHBondContact O-CB 3.39Å; E286-N289 PolarHBondContact O-N 3.38Å
287	R	79.1	Confident	90.7	Very high	146 Å²	146	42.9 Å²	42.9	55%	0.551	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.5	-177.6	-63.2	-174	178.6	167.2	2.9	113.9	E256 V262 K263 G285 N289	E256-R287 IonicContact OE1-NH2 2.9Å; E256-R287 PolarHBondContact OE1-NH2 2.89Å; V262-R287 PolarHBondContact O-NE 3.35Å; V262-R287 VanDerWaalsContact O-NE 3.1Å; V262-R287 PolarHBondContact O-NH2 2.62Å; K263-R287 HydrophobicContact CB-CG 4.36Å; G285-R287 PolarHBondContact O-N 2.83Å; R287-N289 VanDerWaalsContact C-N 3.26Å; R287-N289 PolarHBondContact O-N 3.29Å
288	A	83.3	Confident	90.5	Very high	103 Å²	103	40 Å²	40	85%	0.851	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-3	179.1	0	0	0	0	0	113.4	E286 S290	E286-A288 PolarHBondContact O-N 3.48Å; E286-A288 VanDerWaalsContact O-N 3.16Å; A288-S290 PolarHBondContact O-N 2.86Å
289	N	87	Confident	90.4	Very high	30 Å²	30	38.5 Å²	38.5	16%	0.16	19%	0.194	C	C	.	.			trans	-70	131.2	-177.8	-170.7	-53.4	0	0	0	111	T231 E286 R287 Y291 V292 K293	T231-N289 WeakPolarHBondContact CG2-ND2 3.04Å; E286-N289 HydrophobicContact CB-CB 4.14Å; E286-N289 WeakPolarHBondContact O-CB 3.39Å; E286-N289 PolarHBondContact O-N 3.38Å; R287-N289 VanDerWaalsContact C-N 3.26Å; R287-N289 PolarHBondContact O-N 3.29Å; N289-Y291 PolarHBondContact O-N 3.49Å; N289-Y291 VanDerWaalsContact OD1-CB 3.24Å; N289-Y291 WeakPolarHBondContact OD1-CB 3.31Å; N289-Y291 WeakPolarHBondContact OD1-CD2 3.37Å; N289-Y291 PolarHBondContact OD1-N 3.22Å; N289-V292 HydrophobicContact CB-CB 4.31Å; N289-V292 HydrophobicContact CB-CG2 4Å; N289-V292 PolarHBondContact O-N 2.9Å; N289-K293 PolarHBondContact O-N 3.46Å; N289-K293 VanDerWaalsContact O-N 3.09Å
290	S	88.3	Confident	90.2	Very high	44 Å²	44	38 Å²	38	31%	0.308	19%	0.193	S	C	.	.	H	α-helix	trans	-58.8	-34.2	179.8	62	0	0	0	0	113.4	A288 K293 R294 R318	A288-S290 PolarHBondContact O-N 2.86Å; S290-K293 PolarHBondContact O-N 2.86Å; S290-R294 WeakPolarHBondContact O-CG 3.38Å; S290-R294 PolarHBondContact O-N 2.98Å; S290-R318 PolarHBondContact OG-NH2 2.82Å
291	Y	89.5	Confident	89.9	Confident	33 Å²	33	41.7 Å²	41.7	13%	0.129	22%	0.219	C	C	.	.	H	α-helix	trans	-66.7	-45.2	178.8	-61.9	-67.3	0	0	0	111.1	Y196 T231 N289 K293 R294 L295 I315 I316 R318	Y196-Y291 HydrophobicContact CE1-CD1 4.4Å; Y196-Y291 HydrophobicContact CE1-CD2 4.29Å; Y196-Y291 HydrophobicContact CE1-CG 4.18Å; T231-Y291 HydrophobicContact CG2-CD2 3.7Å; T231-Y291 HydrophobicContact CG2-CE2 4.43Å; T231-Y291 HydrophobicContact CG2-CG 4.37Å; N289-Y291 PolarHBondContact O-N 3.49Å; N289-Y291 VanDerWaalsContact OD1-CB 3.24Å; N289-Y291 WeakPolarHBondContact OD1-CB 3.31Å; N289-Y291 WeakPolarHBondContact OD1-CD2 3.37Å; N289-Y291 PolarHBondContact OD1-N 3.22Å; Y291-K293 VanDerWaalsContact C-N 3.31Å; Y291-K293 PolarHBondContact O-N 3.17Å; Y291-R294 PolarHBondContact O-N 2.86Å; Y291-L295 WeakPolarHBondContact O-CB 3.5Å; Y291-L295 PolarHBondContact O-N 2.68Å; Y291-I315 WeakPolarHBondContact CD1-O 3.4Å; Y291-I316 VanDerWaalsContact CE1-O 3.24Å; Y291-I316 WeakPolarHBondContact CE1-O 3.34Å; Y291-R318 HydrophobicContact CE1-CG 4.36Å; Y291-R318 PolarHBondContact OH-NE 3.28Å; Y291-R318 VanDerWaalsContact OH-NE 3.12Å
292	V	90	Very high	89.3	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-45.2	174.9	173.3	0	0	0	0	110	F232 V283 N289 L295 F296	F232-V292 HydrophobicContact CB-CG2 3.92Å; V283-V292 HydrophobicContact CB-CG1 4.29Å; V283-V292 HydrophobicContact CG1-CB 4.37Å; V283-V292 HydrophobicContact CG1-CG1 3.85Å; V283-V292 HydrophobicContact CG1-CG2 3.89Å; N289-V292 HydrophobicContact CB-CB 4.31Å; N289-V292 HydrophobicContact CB-CG2 4Å; N289-V292 PolarHBondContact O-N 2.9Å; V292-L295 PolarHBondContact O-N 2.85Å; V292-F296 HydrophobicContact CG1-CD2 3.88Å; V292-F296 HydrophobicContact CG1-CE2 3.7Å; V292-F296 VanDerWaalsContact O-CD2 3.24Å; V292-F296 WeakPolarHBondContact O-CD2 3.35Å; V292-F296 PolarHBondContact O-N 2.94Å; V292-F296 VanDerWaalsContact O-N 3.09Å
293	K	88.8	Confident	88.9	Confident	128 Å²	128	46.9 Å²	46.9	56%	0.557	25%	0.251	S	S	*	.	H	α-helix	trans	-58.9	-49.5	176.6	-169.6	-171.8	-178.3	-150.2	0	112.2	N289 S290 Y291 L295 F296 E297	N289-K293 PolarHBondContact O-N 3.46Å; N289-K293 VanDerWaalsContact O-N 3.09Å; S290-K293 PolarHBondContact O-N 2.86Å; Y291-K293 VanDerWaalsContact C-N 3.31Å; Y291-K293 PolarHBondContact O-N 3.17Å; K293-L295 VanDerWaalsContact C-N 3.28Å; K293-L295 PolarHBondContact O-N 2.87Å; K293-F296 PolarHBondContact O-N 3.42Å; K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 IonicContact NZ-OE1 3.92Å; K293-E297 PolarHBondContact NZ-OE1 2.98Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 2.86Å
294	R	88.6	Confident	88.3	Confident	58 Å²	58	47.6 Å²	47.6	22%	0.219	26%	0.255	C	S	.	.	H	α-helix	trans	-61.5	-36.2	177.9	-75.1	-177.2	179.9	-170.3	-0.2	112.4	S290 Y291 E297 T298 Y314 I315 D317	S290-R294 WeakPolarHBondContact O-CG 3.38Å; S290-R294 PolarHBondContact O-N 2.98Å; Y291-R294 PolarHBondContact O-N 2.86Å; R294-E297 PolarHBondContact O-N 3.33Å; R294-T298 VanDerWaalsContact O-CB 3.22Å; R294-T298 WeakPolarHBondContact O-CB 3.34Å; R294-T298 PolarHBondContact O-N 3.1Å; R294-T298 PolarHBondContact O-OG1 2.87Å; R294-Y314 HydrophobicContact CG-CE1 4.48Å; R294-Y314 PolarHBondContact NH1-O 2.75Å; R294-I315 HydrophobicContact CB-CB 4.42Å; R294-I315 HydrophobicContact CB-CG1 4.19Å; R294-I315 HydrophobicContact CB-CG2 4.29Å; R294-I315 WeakPolarHBondContact CD-O 3.49Å; R294-D317 PolarHBondContact NH1-O 3.47Å
295	L	91.3	Very high	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-46.6	175.7	178.8	64.7	0	0	0	111.1	F198 F232 L281 V283 Y291 V292 K293 T298 V299 F312 I315	F198-L295 HydrophobicContact CD2-CD1 4.24Å; F198-L295 HydrophobicContact CE2-CD1 4.18Å; F232-L295 HydrophobicContact CD2-CD2 3.93Å; F232-L295 HydrophobicContact CE2-CD2 3.87Å; F232-L295 HydrophobicContact CZ-CD2 4.4Å; L281-L295 HydrophobicContact CD2-CD2 4.45Å; L281-L295 HydrophobicContact CD2-CG 4.05Å; V283-L295 HydrophobicContact CG1-CD2 4.16Å; V283-L295 HydrophobicContact CG2-CD2 3.7Å; V283-L295 HydrophobicContact CG2-CG 4.49Å; Y291-L295 WeakPolarHBondContact O-CB 3.5Å; Y291-L295 PolarHBondContact O-N 2.68Å; V292-L295 PolarHBondContact O-N 2.85Å; K293-L295 VanDerWaalsContact C-N 3.28Å; K293-L295 PolarHBondContact O-N 2.87Å; L295-T298 PolarHBondContact O-N 2.77Å; L295-V299 HydrophobicContact CD1-CG2 3.8Å; L295-V299 WeakPolarHBondContact O-CB 3.45Å; L295-V299 PolarHBondContact O-N 2.89Å; L295-F312 HydrophobicContact CD1-CE1 4.3Å; L295-I315 HydrophobicContact CB-CD1 4.08Å; L295-I315 HydrophobicContact CB-CG2 4.28Å; L295-I315 HydrophobicContact CD1-CD1 3.51Å; L295-I315 HydrophobicContact CG-CD1 4.39Å
296	F	91.8	Very high	87.6	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.022	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-45.8	173.7	-80.6	-73.6	0	0	0	112.4	K263 E265 L281 V283 V292 K293 T298 V300 C301	K263-F296 HydrophobicContact CB-CE2 3.94Å; K263-F296 HydrophobicContact CB-CZ 3.88Å; K263-F296 HydrophobicContact CD-CD2 4.03Å; K263-F296 HydrophobicContact CD-CE2 3.48Å; K263-F296 VanDerWaalsContact CD-CE2 3.48Å; K263-F296 HydrophobicContact CD-CZ 3.84Å; K263-F296 HydrophobicContact CG-CE1 4.49Å; K263-F296 HydrophobicContact CG-CE2 3.77Å; K263-F296 HydrophobicContact CG-CZ 3.64Å; E265-F296 HydrophobicContact CB-CD1 3.85Å; E265-F296 HydrophobicContact CB-CE1 3.58Å; E265-F296 VanDerWaalsContact CD-CD1 3.46Å; E265-F296 HydrophobicContact CG-CD1 3.76Å; E265-F296 HydrophobicContact CG-CE1 3.53Å; E265-F296 HydrophobicContact CG-CZ 4.35Å; E265-F296 WeakPolarHBondContact OE2-CD1 3.34Å; L281-F296 HydrophobicContact CB-CE1 4.33Å; L281-F296 HydrophobicContact CD2-CD1 3.9Å; L281-F296 HydrophobicContact CD2-CE1 3.88Å; L281-F296 HydrophobicContact CD2-CG 4.4Å; L281-F296 HydrophobicContact CD2-CZ 4.4Å; L281-F296 HydrophobicContact CG-CE1 4.23Å; V283-F296 HydrophobicContact CB-CE2 3.78Å; V283-F296 HydrophobicContact CB-CZ 3.92Å; V283-F296 HydrophobicContact CG2-CD2 4.28Å; V283-F296 HydrophobicContact CG2-CE1 4.24Å; V283-F296 HydrophobicContact CG2-CE2 3.46Å; V283-F296 VanDerWaalsContact CG2-CE2 3.46Å; V283-F296 HydrophobicContact CG2-CZ 3.44Å; V283-F296 VanDerWaalsContact CG2-CZ 3.44Å; V292-F296 HydrophobicContact CG1-CD2 3.88Å; V292-F296 HydrophobicContact CG1-CE2 3.7Å; V292-F296 VanDerWaalsContact O-CD2 3.24Å; V292-F296 WeakPolarHBondContact O-CD2 3.35Å; V292-F296 PolarHBondContact O-N 2.94Å; V292-F296 VanDerWaalsContact O-N 3.09Å; K293-F296 PolarHBondContact O-N 3.42Å; F296-T298 PolarHBondContact O-N 3.09Å; F296-V300 HydrophobicContact CD1-CB 4.33Å; F296-V300 HydrophobicContact CD1-CG2 3.62Å; F296-V300 HydrophobicContact CE1-CG2 4.22Å; F296-V300 WeakPolarHBondContact O-CA 2.91Å; F296-V300 VanDerWaalsContact O-CB 3.27Å; F296-V300 WeakPolarHBondContact O-CB 3.22Å; F296-V300 PolarHBondContact O-N 3.01Å; F296-C301 PolarHBondContact O-N 3.37Å; F296-C301 VanDerWaalsContact O-N 3.09Å
297	E	88.7	Confident	87.5	Confident	71 Å²	71	49.7 Å²	49.7	33%	0.332	26%	0.26	S	S	.	.	I	π-helix	trans	-57.2	-40.5	176.2	-71.8	169.7	180	0	0	111.4	K293 R294 C301 G302	K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 IonicContact NZ-OE1 3.92Å; K293-E297 PolarHBondContact NZ-OE1 2.98Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 2.86Å; R294-E297 PolarHBondContact O-N 3.33Å; E297-C301 VanDerWaalsContact O-CB 3.31Å; E297-C301 WeakPolarHBondContact O-CB 3.35Å; E297-G302 PolarHBondContact O-N 2.81Å
298	T	86.8	Confident	87.6	Confident	8 Å²	8	43 Å²	43	5%	0.049	24%	0.235	C	C	.	.	I	π-helix	trans	-75.3	-48.5	-176.8	-59.9	0	0	0	0	112.7	V18 R294 L295 F296 G302 V304 H311 Y314 I315	V18-T298 HydrophobicContact CG2-CG2 3.49Å; V18-T298 VanDerWaalsContact CG2-CG2 3.49Å; R294-T298 VanDerWaalsContact O-CB 3.22Å; R294-T298 WeakPolarHBondContact O-CB 3.34Å; R294-T298 PolarHBondContact O-N 3.1Å; R294-T298 PolarHBondContact O-OG1 2.87Å; L295-T298 PolarHBondContact O-N 2.77Å; F296-T298 PolarHBondContact O-N 3.09Å; T298-G302 WeakPolarHBondContact O-CA 3.42Å; T298-V304 WeakPolarHBondContact O-CG2 3.49Å; T298-H311 HydrophobicContact CG2-CB 3.7Å; T298-Y314 WeakPolarHBondContact OG1-CD1 3.33Å; T298-I315 HydrophobicContact CG2-CD1 4.2Å
299	V	90.7	Very high	87.3	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-87.1	-50	-173	170.9	0	0	0	0	111.3	L236 F267 L281 L295 K303 V304 P307	L236-V299 HydrophobicContact CD1-CG1 4.34Å; F267-V299 HydrophobicContact CE1-CG1 3.99Å; F267-V299 HydrophobicContact CZ-CG1 3.77Å; L281-V299 HydrophobicContact CB-CG1 4.39Å; L281-V299 HydrophobicContact CD1-CG1 4.32Å; L281-V299 HydrophobicContact CD2-CB 3.99Å; L281-V299 HydrophobicContact CD2-CG1 3.95Å; L281-V299 HydrophobicContact CG-CG1 4.44Å; L295-V299 HydrophobicContact CD1-CG2 3.8Å; L295-V299 WeakPolarHBondContact O-CB 3.45Å; L295-V299 PolarHBondContact O-N 2.89Å; V299-K303 CarbonylContact O-C 3.52Å; V299-K303 WeakPolarHBondContact O-CA 2.9Å; V299-K303 PolarHBondContact O-N 3.43Å; V299-K303 VanDerWaalsContact O-N 3.11Å; V299-V304 WeakPolarHBondContact CG1-O 3.06Å; V299-V304 PolarHBondContact O-N 3.45Å; V299-P307 HydrophobicContact CG2-CB 4.28Å; V299-P307 HydrophobicContact CG2-CG 4.14Å
300	V	91.4	Very high	86.7	Confident	15 Å²	15	37.5 Å²	37.5	9%	0.091	19%	0.19	C	C	.	.	I	π-helix	trans	-82.9	-56.2	-173	-179.2	0	0	0	0	110.3	E265 F267 L281 F296 G302 K303	E265-V300 HydrophobicContact CB-CG1 4.06Å; E265-V300 HydrophobicContact CB-CG2 4.25Å; F267-V300 HydrophobicContact CB-CB 4.5Å; F267-V300 HydrophobicContact CB-CG1 3.84Å; F267-V300 HydrophobicContact CD1-CB 4.31Å; F267-V300 HydrophobicContact CD1-CG1 4.29Å; F267-V300 HydrophobicContact CD1-CG2 3.89Å; F267-V300 HydrophobicContact CE1-CG2 4.25Å; F267-V300 HydrophobicContact CG-CB 4.49Å; F267-V300 HydrophobicContact CG-CG1 4.31Å; L281-V300 HydrophobicContact CB-CG2 3.86Å; L281-V300 HydrophobicContact CD2-CG2 3.88Å; F296-V300 HydrophobicContact CD1-CB 4.33Å; F296-V300 HydrophobicContact CD1-CG2 3.62Å; F296-V300 HydrophobicContact CE1-CG2 4.22Å; F296-V300 WeakPolarHBondContact O-CA 2.91Å; F296-V300 VanDerWaalsContact O-CB 3.27Å; F296-V300 WeakPolarHBondContact O-CB 3.22Å; F296-V300 PolarHBondContact O-N 3.01Å; V300-G302 VanDerWaalsContact C-N 3.34Å; V300-G302 PolarHBondContact O-N 3.32Å; V300-K303 PolarHBondContact O-N 2.9Å; V300-K303 VanDerWaalsContact O-N 3.11Å
301	C	87.6	Confident	86.4	Confident	97 Å²	97	35.8 Å²	35.8	66%	0.655	18%	0.178	S	C	*	.	I	π-helix	trans	-68.9	-35.4	179.2	-52	0	0	0	0	111.9	F296 E297 K303	F296-C301 PolarHBondContact O-N 3.37Å; F296-C301 VanDerWaalsContact O-N 3.09Å; E297-C301 VanDerWaalsContact O-CB 3.31Å; E297-C301 WeakPolarHBondContact O-CB 3.35Å; C301-K303 PolarHBondContact O-N 3.16Å
302	G	84	Confident	86.1	Confident	31 Å²	31	34.2 Å²	34.2	32%	0.32	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.1	172.7	0	0	0	0	0	114.6	E297 T298 V300 V304	E297-G302 PolarHBondContact O-N 2.81Å; T298-G302 WeakPolarHBondContact O-CA 3.42Å; V300-G302 VanDerWaalsContact C-N 3.34Å; V300-G302 PolarHBondContact O-N 3.32Å; G302-V304 VanDerWaalsContact C-N 3.28Å; G302-V304 WeakPolarHBondContact O-CG2 3.46Å; G302-V304 PolarHBondContact O-N 3.39Å
303	K	88.1	Confident	85.5	Confident	81 Å²	81	34.2 Å²	34.2	35%	0.352	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	41.9	-177.1	-62.1	-178.9	158.7	-163.4	0	113.4	F267 S268 T270 V299 V300 C301	F267-K303 HydrophobicContact CD2-CB 4.49Å; S268-K303 WeakPolarHBondContact O-CB 3.4Å; S268-K303 WeakPolarHBondContact O-CD 3.26Å; S268-K303 WeakPolarHBondContact O-CE 3.13Å; S268-K303 VanDerWaalsContact O-CG 3.26Å; S268-K303 WeakPolarHBondContact O-CG 3.18Å; T270-K303 PolarHBondContact O-NZ 2.98Å; V299-K303 CarbonylContact O-C 3.52Å; V299-K303 WeakPolarHBondContact O-CA 2.9Å; V299-K303 PolarHBondContact O-N 3.43Å; V299-K303 VanDerWaalsContact O-N 3.11Å; V300-K303 PolarHBondContact O-N 2.9Å; V300-K303 VanDerWaalsContact O-N 3.11Å; C301-K303 PolarHBondContact O-N 3.16Å
304	V	85.8	Confident	85	Confident	16 Å²	16	31.6 Å²	31.6	10%	0.097	16%	0.159	C	C	.	.			trans	-102.1	101.3	-174.1	-173.3	0	0	0	0	110.5	T298 V299 G302 R306 P307	T298-V304 WeakPolarHBondContact O-CG2 3.49Å; V299-V304 WeakPolarHBondContact CG1-O 3.06Å; V299-V304 PolarHBondContact O-N 3.45Å; G302-V304 VanDerWaalsContact C-N 3.28Å; G302-V304 WeakPolarHBondContact O-CG2 3.46Å; G302-V304 PolarHBondContact O-N 3.39Å; V304-R306 VanDerWaalsContact C-N 3.32Å; V304-P307 HydrophobicContact CG1-CB 4.22Å
305	S	86.4	Confident	84.6	Confident	30 Å²	30	28.8 Å²	28.8	21%	0.21	15%	0.148	C	C	.	.	S	Bend	trans	-76.8	-15.5	172	46.9	0	0	0	0	114.2	L236 C269 P307	L236-S305 WeakPolarHBondContact CD2-O 3.47Å; C269-S305 WeakPolarHBondContact SG-CB 3.47Å; C269-S305 PolarHBondContact SG-OG 3.26Å; C269-S305 VanDerWaalsContact SG-OG 3.42Å; S305-P307 VanDerWaalsContact C-CD 3.46Å
306	R	84.9	Confident	84.1	Confident	145 Å²	145	29 Å²	29	55%	0.547	15%	0.149	S	C	.	.	S	Bend	trans	-130.6	66	-179.1	-67.1	-178.4	170.6	-151.7	-16.7	110	E171 V304 D308	E171-R306 IonicContact OE1-CZ 3.06Å; E171-R306 IonicContact OE1-NH1 2.61Å; E171-R306 IonicContact OE1-NH2 3.05Å; E171-R306 PolarHBondContact OE1-NH2 2.8Å; V304-R306 VanDerWaalsContact C-N 3.32Å; R306-D308 PolarHBondContact O-N 3.44Å
307	P	86.4	Confident	83.3	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.			trans	-59.4	130.9	177	25.2	-34.2	0	0	0	109	Q170 F198 V299 V304 S305 H311 F312	Q170-P307 PolarHBondContact NE2-O 3.03Å; Q170-P307 PolarHBondContact OE1-O 2.89Å; F198-P307 HydrophobicContact CE1-CG 3.97Å; F198-P307 HydrophobicContact CE2-CG 4.34Å; F198-P307 HydrophobicContact CZ-CG 3.72Å; V299-P307 HydrophobicContact CG2-CB 4.28Å; V299-P307 HydrophobicContact CG2-CG 4.14Å; V304-P307 HydrophobicContact CG1-CB 4.22Å; S305-P307 VanDerWaalsContact C-CD 3.46Å; P307-H311 HydrophobicContact CB-CB 3.75Å; P307-F312 HydrophobicContact CB-CE1 4.42Å; P307-F312 HydrophobicContact CB-CE2 3.96Å; P307-F312 HydrophobicContact CB-CZ 3.83Å; P307-F312 HydrophobicContact CG-CE1 4.34Å; P307-F312 HydrophobicContact CG-CE2 4.01Å; P307-F312 HydrophobicContact CG-CZ 3.56Å; P307-F312 WeakPolarHBondContact O-CE2 3.11Å
308	D	80.6	Confident	82	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.027	17%	0.165	C	C	.	.			trans	-94.5	179.3	173.7	65.8	34.1	0	0	0	111.1	E122 R306 R310 H311 F312	E122-D308 WeakPolarHBondContact OE2-CB 2.88Å; R306-D308 PolarHBondContact O-N 3.44Å; D308-R310 PolarHBondContact O-N 3.13Å; D308-R310 VanDerWaalsContact O-N 3.11Å; D308-R310 WeakPolarHBondContact OD1-CA 3.48Å; D308-R310 WeakPolarHBondContact OD1-CB 3.39Å; D308-R310 WeakPolarHBondContact OD1-CG 3.41Å; D308-R310 PolarHBondContact OD1-N 2.95Å; D308-R310 IonicContact OD1-NE 3.84Å; D308-R310 PolarHBondContact OD1-NE 2.82Å; D308-R310 IonicContact OD2-CZ 3.26Å; D308-R310 IonicContact OD2-NE 2.82Å; D308-R310 PolarHBondContact OD2-NE 3.02Å; D308-R310 IonicContact OD2-NH2 3.26Å; D308-R310 PolarHBondContact OD2-NH2 3.15Å; D308-H311 PolarHBondContact N-ND1 3.35Å; D308-H311 VanDerWaalsContact O-CB 3.28Å; D308-H311 WeakPolarHBondContact O-CB 3.44Å; D308-H311 PolarHBondContact O-N 3.4Å; D308-H311 IonicContact OD1-CE1 3.83Å; D308-H311 IonicContact OD1-CG 2.93Å; D308-H311 PolarHBondContact OD1-N 3.34Å; D308-H311 IonicContact OD1-ND1 3.39Å; D308-H311 PolarHBondContact OD1-ND1 3.09Å; D308-H311 IonicContact OD2-CE1 3.56Å; D308-H311 IonicContact OD2-ND1 2.66Å; D308-F312 WeakPolarHBondContact O-CD2 3.42Å; D308-F312 PolarHBondContact O-N 3.36Å
309	L	76.9	Confident	80.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-18.4	-178	-79.5	-176.4	0	0	0	114.6	Y95 I120 M121 E122 F140 R142 L166 F312 A313	Y95-L309 HydrophobicContact CE2-CB 3.78Å; I120-L309 HydrophobicContact CG2-CB 3.78Å; I120-L309 HydrophobicContact CG2-CD1 3.56Å; I120-L309 HydrophobicContact CG2-CG 4.21Å; M121-L309 WeakPolarHBondContact O-CD1 3.49Å; E122-L309 HydrophobicContact CB-CD1 3.82Å; E122-L309 HydrophobicContact CB-CG 4.31Å; E122-L309 PolarHBondContact OE2-N 2.92Å; F140-L309 HydrophobicContact CB-CD2 4.07Å; R142-L309 HydrophobicContact CB-CD1 3.74Å; R142-L309 HydrophobicContact CB-CD2 3.63Å; R142-L309 HydrophobicContact CB-CG 3.46Å; R142-L309 VanDerWaalsContact CB-CG 3.46Å; R142-L309 HydrophobicContact CG-CG 4.43Å; L166-L309 HydrophobicContact CD2-CD2 3.78Å; L309-F312 HydrophobicContact CD2-CB 4.36Å; L309-F312 HydrophobicContact CD2-CD2 4.14Å; L309-F312 PolarHBondContact O-N 3.34Å; L309-A313 VanDerWaalsContact O-CB 3.27Å; L309-A313 WeakPolarHBondContact O-CB 3.48Å; L309-A313 PolarHBondContact O-N 3.34Å
310	R	73.4	Confident	78.8	Confident	18 Å²	18	44.2 Å²	44.2	7%	0.068	22%	0.22	C	C	.	.	H	α-helix	trans	-71	-39.7	174.3	-43.5	177	-77.9	179.3	-4.1	110.1	I21 Y95 D308 F312 A313 Y314	I21-R310 HydrophobicContact CD1-CB 3.81Å; I21-R310 HydrophobicContact CD1-CG 3.52Å; I21-R310 HydrophobicContact CG1-CB 4.35Å; I21-R310 HydrophobicContact CG1-CG 4.46Å; Y95-R310 HydrophobicContact CE2-CG 4.18Å; D308-R310 PolarHBondContact O-N 3.13Å; D308-R310 VanDerWaalsContact O-N 3.11Å; D308-R310 WeakPolarHBondContact OD1-CA 3.48Å; D308-R310 WeakPolarHBondContact OD1-CB 3.39Å; D308-R310 WeakPolarHBondContact OD1-CG 3.41Å; D308-R310 PolarHBondContact OD1-N 2.95Å; D308-R310 IonicContact OD1-NE 3.84Å; D308-R310 PolarHBondContact OD1-NE 2.82Å; D308-R310 IonicContact OD2-CZ 3.26Å; D308-R310 IonicContact OD2-NE 2.82Å; D308-R310 PolarHBondContact OD2-NE 3.02Å; D308-R310 IonicContact OD2-NH2 3.26Å; D308-R310 PolarHBondContact OD2-NH2 3.15Å; R310-F312 VanDerWaalsContact C-N 3.31Å; R310-F312 PolarHBondContact O-N 3.38Å; R310-A313 PolarHBondContact O-N 3.01Å; R310-Y314 PolarHBondContact O-N 3.47Å
311	H	81.9	Confident	76.8	Confident	9 Å²	9	48.6 Å²	48.6	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-47.4	172.3	-61.5	68.7	0	0	0	110.6	V18 T298 P307 D308 I315	V18-H311 HydrophobicContact CG2-CB 3.96Å; V18-H311 WeakPolarHBondContact CG2-CD2 3.21Å; V18-H311 VanDerWaalsContact CG2-CG 3.49Å; T298-H311 HydrophobicContact CG2-CB 3.7Å; P307-H311 HydrophobicContact CB-CB 3.75Å; D308-H311 PolarHBondContact N-ND1 3.35Å; D308-H311 VanDerWaalsContact O-CB 3.28Å; D308-H311 WeakPolarHBondContact O-CB 3.44Å; D308-H311 PolarHBondContact O-N 3.4Å; D308-H311 IonicContact OD1-CE1 3.83Å; D308-H311 IonicContact OD1-CG 2.93Å; D308-H311 PolarHBondContact OD1-N 3.34Å; D308-H311 IonicContact OD1-ND1 3.39Å; D308-H311 PolarHBondContact OD1-ND1 3.09Å; D308-H311 IonicContact OD2-CE1 3.56Å; D308-H311 IonicContact OD2-ND1 2.66Å; H311-I315 WeakPolarHBondContact O-CD1 3.31Å; H311-I315 VanDerWaalsContact O-CG1 3.3Å; H311-I315 WeakPolarHBondContact O-CG1 3.47Å; H311-I315 PolarHBondContact O-N 2.98Å
312	F	83.9	Confident	75.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-36.8	-179.9	-68.1	-58.7	0	0	0	114	L166 A168 F198 L295 P307 D308 L309 R310 Y314 I315 I316	L166-F312 HydrophobicContact CD1-CB 3.8Å; L166-F312 HydrophobicContact CD1-CD1 3.78Å; L166-F312 HydrophobicContact CD1-CG 3.89Å; L166-F312 HydrophobicContact CD2-CB 4.15Å; L166-F312 HydrophobicContact CD2-CD2 4.5Å; L166-F312 HydrophobicContact CD2-CG 4.25Å; A168-F312 HydrophobicContact CB-CD2 4.15Å; A168-F312 HydrophobicContact CB-CE2 3.7Å; A168-F312 HydrophobicContact CB-CZ 4.15Å; F198-F312 HydrophobicContact CB-CE1 3.81Å; F198-F312 HydrophobicContact CB-CZ 3.81Å; F198-F312 HydrophobicContact CD1-CE1 4.25Å; F198-F312 AromaticContact CD1-CZ 3.59Å; F198-F312 HydrophobicContact CD1-CZ 3.59Å; F198-F312 AromaticContact CD2-CE1 3.58Å; F198-F312 HydrophobicContact CD2-CE1 3.58Å; F198-F312 AromaticContact CD2-CZ 3.75Å; F198-F312 HydrophobicContact CD2-CZ 3.75Å; F198-F312 HydrophobicContact CE1-CZ 4.01Å; F198-F312 HydrophobicContact CE2-CE1 4.15Å; F198-F312 HydrophobicContact CE2-CZ 4.15Å; F198-F312 AromaticContact CG-CE1 3.62Å; F198-F312 HydrophobicContact CG-CE1 3.62Å; F198-F312 AromaticContact CG-CZ 3.42Å; F198-F312 HydrophobicContact CG-CZ 3.42Å; F198-F312 VanDerWaalsContact CG-CZ 3.42Å; F198-F312 HydrophobicContact CZ-CZ 4.25Å; L295-F312 HydrophobicContact CD1-CE1 4.3Å; P307-F312 HydrophobicContact CB-CE1 4.42Å; P307-F312 HydrophobicContact CB-CE2 3.96Å; P307-F312 HydrophobicContact CB-CZ 3.83Å; P307-F312 HydrophobicContact CG-CE1 4.34Å; P307-F312 HydrophobicContact CG-CE2 4.01Å; P307-F312 HydrophobicContact CG-CZ 3.56Å; P307-F312 WeakPolarHBondContact O-CE2 3.11Å; D308-F312 WeakPolarHBondContact O-CD2 3.42Å; D308-F312 PolarHBondContact O-N 3.36Å; L309-F312 HydrophobicContact CD2-CB 4.36Å; L309-F312 HydrophobicContact CD2-CD2 4.14Å; L309-F312 PolarHBondContact O-N 3.34Å; R310-F312 VanDerWaalsContact C-N 3.31Å; R310-F312 PolarHBondContact O-N 3.38Å; F312-Y314 PolarHBondContact O-N 3.03Å; F312-I315 HydrophobicContact CD1-CD1 4.09Å; F312-I315 WeakPolarHBondContact O-CB 3.4Å; F312-I315 PolarHBondContact O-N 3.14Å; F312-I315 VanDerWaalsContact O-N 3.15Å; F312-I316 PolarHBondContact O-N 3.32Å
313	A	77.9	Confident	73.4	Confident	2 Å²	2	48 Å²	48	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-44.1	176.3	0	0	0	0	0	111.4	I120 F140 L309 R310 I315 I316 D317 L322	I120-A313 HydrophobicContact CD1-CB 4.07Å; F140-A313 HydrophobicContact CD2-CB 4.36Å; F140-A313 HydrophobicContact CE2-CB 4.11Å; L309-A313 VanDerWaalsContact O-CB 3.27Å; L309-A313 WeakPolarHBondContact O-CB 3.48Å; L309-A313 PolarHBondContact O-N 3.34Å; R310-A313 PolarHBondContact O-N 3.01Å; A313-I315 VanDerWaalsContact C-N 3.26Å; A313-I315 PolarHBondContact O-N 2.96Å; A313-I316 PolarHBondContact O-N 3.3Å; A313-D317 PolarHBondContact O-N 2.64Å; A313-L322 HydrophobicContact CB-CD1 3.71Å
314	Y	78.1	Confident	71.7	Confident	72 Å²	72	49.7 Å²	49.7	28%	0.282	23%	0.232	S	C	.	.	H	α-helix	trans	-60	-37	173.6	168.7	-109.5	0	0	0	113.3	V18 R19 R294 T298 R310 F312	V18-Y314 HydrophobicContact CG1-CD1 3.65Å; V18-Y314 HydrophobicContact CG1-CD2 4.38Å; V18-Y314 HydrophobicContact CG1-CG 3.46Å; V18-Y314 VanDerWaalsContact CG1-CG 3.46Å; R19-Y314 WeakPolarHBondContact O-CD2 3.34Å; R19-Y314 WeakPolarHBondContact O-CE2 3.35Å; R19-Y314 VanDerWaalsContact O-CG 3.27Å; R294-Y314 HydrophobicContact CG-CE1 4.48Å; R294-Y314 PolarHBondContact NH1-O 2.75Å; T298-Y314 WeakPolarHBondContact OG1-CD1 3.33Å; R310-Y314 PolarHBondContact O-N 3.47Å; F312-Y314 PolarHBondContact O-N 3.03Å
315	I	79.6	Confident	70.6	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-48.5	178.1	-67.2	160.9	0	0	0	109.2	F232 Y291 R294 L295 T298 H311 F312 A313	F232-I315 HydrophobicContact CE1-CG2 4Å; F232-I315 HydrophobicContact CZ-CG2 4.28Å; Y291-I315 WeakPolarHBondContact CD1-O 3.4Å; R294-I315 HydrophobicContact CB-CB 4.42Å; R294-I315 HydrophobicContact CB-CG1 4.19Å; R294-I315 HydrophobicContact CB-CG2 4.29Å; R294-I315 WeakPolarHBondContact CD-O 3.49Å; L295-I315 HydrophobicContact CB-CD1 4.08Å; L295-I315 HydrophobicContact CB-CG2 4.28Å; L295-I315 HydrophobicContact CD1-CD1 3.51Å; L295-I315 HydrophobicContact CG-CD1 4.39Å; T298-I315 HydrophobicContact CG2-CD1 4.2Å; H311-I315 WeakPolarHBondContact O-CD1 3.31Å; H311-I315 VanDerWaalsContact O-CG1 3.3Å; H311-I315 WeakPolarHBondContact O-CG1 3.47Å; H311-I315 PolarHBondContact O-N 2.98Å; F312-I315 HydrophobicContact CD1-CD1 4.09Å; F312-I315 WeakPolarHBondContact O-CB 3.4Å; F312-I315 PolarHBondContact O-N 3.14Å; F312-I315 VanDerWaalsContact O-N 3.15Å; A313-I315 VanDerWaalsContact C-N 3.26Å; A313-I315 PolarHBondContact O-N 2.96Å
316	I	80.6	Confident	69.9	Low	5 Å²	5	49.7 Å²	49.7	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-90.2	-42	-167.8	-65.5	167.5	0	0	0	114.4	F140 L166 Y196 Y291 F312 A313 R318	F140-I316 HydrophobicContact CD1-CD1 4.3Å; F140-I316 HydrophobicContact CE1-CB 4.29Å; F140-I316 HydrophobicContact CE1-CD1 3.88Å; F140-I316 HydrophobicContact CE1-CG2 3.82Å; F140-I316 HydrophobicContact CZ-CB 3.89Å; F140-I316 HydrophobicContact CZ-CD1 4.19Å; F140-I316 HydrophobicContact CZ-CG2 3.63Å; L166-I316 HydrophobicContact CB-CD1 3.52Å; L166-I316 HydrophobicContact CD1-CD1 3.26Å; L166-I316 HydrophobicContact CD1-CG1 4.45Å; L166-I316 HydrophobicContact CG-CD1 3.96Å; Y196-I316 HydrophobicContact CD1-CD1 4.44Å; Y196-I316 HydrophobicContact CD1-CG1 4.3Å; Y196-I316 HydrophobicContact CD2-CD1 3.32Å; Y196-I316 HydrophobicContact CD2-CG1 3.77Å; Y196-I316 HydrophobicContact CD2-CG2 4.09Å; Y196-I316 HydrophobicContact CE1-CG1 4.33Å; Y196-I316 HydrophobicContact CE2-CB 4.28Å; Y196-I316 HydrophobicContact CE2-CD1 3.84Å; Y196-I316 HydrophobicContact CE2-CG1 3.85Å; Y196-I316 HydrophobicContact CE2-CG2 3.44Å; Y196-I316 VanDerWaalsContact CE2-CG2 3.44Å; Y196-I316 HydrophobicContact CG-CD1 3.66Å; Y196-I316 HydrophobicContact CG-CG1 3.99Å; Y291-I316 VanDerWaalsContact CE1-O 3.24Å; Y291-I316 WeakPolarHBondContact CE1-O 3.34Å; F312-I316 PolarHBondContact O-N 3.32Å; A313-I316 PolarHBondContact O-N 3.3Å; I316-R318 PolarHBondContact O-N 2.97Å
317	D	74.8	Confident	69.6	Low	21 Å²	21	42.8 Å²	42.8	11%	0.112	21%	0.205	C	C	.	.			trans	-84.4	115.4	-176.8	-72	-32.9	0	0	0	109.4	R139 R294 A313	R139-D317 IonicContact CZ-OD1 3.01Å; R139-D317 IonicContact NH1-OD1 2.73Å; R139-D317 PolarHBondContact NH1-OD1 3.23Å; R139-D317 IonicContact NH1-OD2 3.39Å; R139-D317 IonicContact NH2-OD1 3.57Å; R139-D317 PolarHBondContact NH2-OD1 3.34Å; R294-D317 PolarHBondContact NH1-O 3.47Å; A313-D317 PolarHBondContact O-N 2.64Å
318	R	62.5	Low	69.6	Low	150 Å²	150	42.8 Å²	42.8	57%	0.566	21%	0.205	S	C	*	.	S	Bend	trans	-79.4	-35.2	-176.1	-72.1	-174.4	175.9	-175.5	-1.7	112.7	S290 Y291 I316	S290-R318 PolarHBondContact OG-NH2 2.82Å; Y291-R318 HydrophobicContact CE1-CG 4.36Å; Y291-R318 PolarHBondContact OH-NE 3.28Å; Y291-R318 VanDerWaalsContact OH-NE 3.12Å; I316-R318 PolarHBondContact O-N 2.97Å
319	E	60.6	Low	70	Confident	167 Å²	167	42.5 Å²	42.5	78%	0.78	20%	0.203	S	C	*	.	S	Bend	trans	-88.1	111.5	163	-69.2	179.9	-173.4	0	0	105.5	L321	E319-L321 VanDerWaalsContact C-N 3.34Å; E319-L321 PolarHBondContact O-N 2.88Å
320	P	49.7	Very low	70.6	Confident	65 Å²	65	42.5 Å²	42.5	42%	0.422	20%	0.203	S	C	.	.			trans	-62.9	105.3	177	-8.7	22.5	0	0	0	106.3	P20 L322	P20-P320 HydrophobicContact CG-CB 3.79Å; P20-P320 HydrophobicContact CG-CG 4.29Å; P320-L322 WeakPolarHBondContact CB-O 3.45Å; P320-L322 PolarHBondContact O-N 2.93Å
321	L	49.6	Very low	71.3	Confident	106 Å²	106	41.8 Å²	41.8	56%	0.555	20%	0.202	S	C	*	.	S	Bend	trans	-60.3	0.5	162.1	-83.1	168.4	0	0	0	111.5	S22 E319	S22-L321 PolarHBondContact OG-O 3.39Å; E319-L321 VanDerWaalsContact C-N 3.34Å; E319-L321 PolarHBondContact O-N 2.88Å
322	L	51.1	Low	71.7	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	21%	0.205	C	C	.	.			trans	-152.2	106.1	-143.7	-73.9	-177.7	0	0	0	103	P20 I21 S22 I120 A313 P320	P20-L322 CarbonylContact C-O 3.53Å; P20-L322 WeakPolarHBondContact CA-O 3.33Å; P20-L322 WeakPolarHBondContact CB-O 3.47Å; P20-L322 VanDerWaalsContact CD-O 3.23Å; P20-L322 WeakPolarHBondContact CD-O 2.8Å; P20-L322 WeakPolarHBondContact CG-O 3.26Å; P20-L322 CarbonylContact O-C 3.56Å; P20-L322 VanDerWaalsContact O-C 3.27Å; P20-L322 WeakPolarHBondContact O-CB 3.46Å; P20-L322 VanDerWaalsContact O-O 3.05Å; I21-L322 VanDerWaalsContact CA-C 3.43Å; I21-L322 VanDerWaalsContact CA-CB 3.47Å; I21-L322 HydrophobicContact CB-CB 4.25Å; I21-L322 HydrophobicContact CB-CD2 3.97Å; I21-L322 HydrophobicContact CD1-CD1 4.23Å; I21-L322 HydrophobicContact CD1-CD2 4.15Å; I21-L322 HydrophobicContact CG1-CB 4Å; I21-L322 HydrophobicContact CG1-CD1 4.01Å; I21-L322 HydrophobicContact CG1-CD2 3.84Å; I21-L322 HydrophobicContact CG1-CG 4.14Å; I21-L322 HydrophobicContact CG2-CD2 3.63Å; I21-L322 VanDerWaalsContact N-C 3.31Å; S22-L322 VanDerWaalsContact N-C 3.33Å; I120-L322 HydrophobicContact CD1-CD1 4.13Å; A313-L322 HydrophobicContact CB-CD1 3.71Å; P320-L322 WeakPolarHBondContact CB-O 3.45Å; P320-L322 PolarHBondContact O-N 2.93Å
323	M	49.4	Very low	71.9	Confident	113 Å²	113	45.2 Å²	45.2	56%	0.557	22%	0.219	S	C	*	.			trans	-108.9	-153.9	-175.5	-86.4	-89.6	171.6	0	0	113.2	P20 I21	P20-M323 CarbonylContact C-O 3.51Å; P20-M323 VanDerWaalsContact C-O 3.23Å; P20-M323 WeakPolarHBondContact CA-O 3.32Å; P20-M323 WeakPolarHBondContact CB-O 3.33Å; I21-M323 CarbonylContact C-O 3.6Å; I21-M323 WeakPolarHBondContact CA-O 3.23Å; I21-M323 PolarHBondContact N-O 3.06Å; I21-M323 CarbonylContact O-C 3.5Å; I21-M323 VanDerWaalsContact O-C 3.22Å
324	H	51.3	Low	72.3	Confident	116 Å²	116	49.2 Å²	49.2	54%	0.537	24%	0.24	S	C	.	.			trans	-76.4	136.2	-177	-76.2	-78.1	0	0	0	113.5	R19 I21	R19-H324 WeakPolarHBondContact CD-CE1 3.44Å; R19-H324 PolarHBondContact NE-CE1 2.91Å; R19-H324 PolarHBondContact NH1-CE1 3Å; R19-H324 VanDerWaalsContact NH1-CE1 3.34Å; R19-H324 PolarHBondContact NH1-NE2 3.06Å; R19-H324 VanDerWaalsContact NH1-NE2 3.19Å; I21-H324 CarbonylContact O-C 3.59Å
325	D	62.6	Low	72.7	Confident	18 Å²	18	48.4 Å²	48.4	10%	0.096	24%	0.24	C	C	.	.			trans	-96.3	134.7	-172	-169.4	5.4	0	0	0	113.4	R14 A25	R14-D325 HydrophobicContact CB-CB 4.47Å; R14-D325 VanDerWaalsContact CD-OD2 3.31Å; R14-D325 WeakPolarHBondContact CD-OD2 3.21Å; R14-D325 IonicContact CZ-OD2 2.88Å; R14-D325 IonicContact NH1-OD2 3.88Å; R14-D325 PolarHBondContact NH1-OD2 3.35Å; A25-D325 WeakPolarHBondContact CB-OD1 3.44Å; A25-D325 WeakPolarHBondContact CB-OD2 3.41Å; A25-D325 PolarHBondContact N-OD1 3.06Å
326	S	71	Confident	73	Confident	27 Å²	27	52.6 Å²	52.6	19%	0.189	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.2	157.4	-71	0	0	0	0	107.8	Y13 L24 A25	Y13-S326 WeakPolarHBondContact CD1-OG 3.45Å; Y13-S326 VanDerWaalsContact CE1-OG 3.25Å; Y13-S326 WeakPolarHBondContact CE1-OG 3.42Å; L24-S326 WeakPolarHBondContact CD1-O 3.43Å; A25-S326 PolarHBondContact N-O 3.1Å
327	V	80.1	Confident	73.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.8	177.4	-168.5	0	0	0	0	108.7	A11 Q12 R14 A25 Q329	A11-V327 WeakPolarHBondContact CA-O 3.49Å; Q12-V327 HydrophobicContact CG-CB 4.07Å; Q12-V327 HydrophobicContact CG-CG2 4.48Å; Q12-V327 PolarHBondContact N-O 2.89Å; Q12-V327 PolarHBondContact O-N 2.9Å; R14-V327 HydrophobicContact CB-CG2 4.32Å; R14-V327 HydrophobicContact CG-CG2 3.38Å; A25-V327 HydrophobicContact CB-CG1 4.33Å; A25-V327 HydrophobicContact CB-CG2 4.25Å; A25-V327 CarbonylContact O-C 3.39Å; A25-V327 WeakPolarHBondContact O-CA 3.33Å; V327-Q329 HydrophobicContact CG1-CG 3.88Å
328	V	85.6	Confident	73.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127	165.1	170	0	0	0	0	108.8	L9 W10 A11 L24 A25 F26 S27 F48 L359	L9-V328 HydrophobicContact CB-CG1 3.96Å; L9-V328 HydrophobicContact CD1-CG1 3.86Å; L9-V328 HydrophobicContact CD2-CG1 4.08Å; L9-V328 HydrophobicContact CG-CG1 4.19Å; W10-V328 CarbonylContact O-C 3.58Å; W10-V328 WeakPolarHBondContact O-CA 3.38Å; A11-V328 HydrophobicContact CB-CG2 4.16Å; L24-V328 HydrophobicContact CD1-CB 3.84Å; L24-V328 HydrophobicContact CD1-CG2 3.43Å; L24-V328 VanDerWaalsContact CD1-CG2 3.43Å; L24-V328 HydrophobicContact CD2-CB 4.48Å; L24-V328 HydrophobicContact CG-CB 4.35Å; L24-V328 HydrophobicContact CG-CG2 4.41Å; A25-V328 PolarHBondContact O-N 3.09Å; F26-V328 CarbonylContact C-O 3.58Å; F26-V328 WeakPolarHBondContact CA-O 3.44Å; F26-V328 HydrophobicContact CD2-CB 4.11Å; F26-V328 HydrophobicContact CD2-CG1 3.97Å; F26-V328 HydrophobicContact CE2-CB 4.18Å; F26-V328 HydrophobicContact CE2-CG1 3.52Å; F26-V328 HydrophobicContact CZ-CG1 4.29Å; S27-V328 PolarHBondContact N-O 3.39Å; F48-V328 HydrophobicContact CE1-CG1 4.14Å; F48-V328 HydrophobicContact CE1-CG2 4.04Å; F48-V328 HydrophobicContact CZ-CG1 4.02Å; F48-V328 HydrophobicContact CZ-CG2 4.02Å; V328-L359 HydrophobicContact CG2-CD2 4.46Å
329	Q	88.7	Confident	74.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.1	-178.2	-50.2	-173.1	-37	0	0	109.8	W10 Q12 S27 F34 V327	W10-Q329 HydrophobicContact CB-CB 4.22Å; W10-Q329 PolarHBondContact N-O 2.91Å; W10-Q329 PolarHBondContact O-N 3.36Å; Q12-Q329 VanDerWaalsContact NE2-NE2 3.12Å; S27-Q329 CarbonylContact O-C 3.57Å; S27-Q329 WeakPolarHBondContact O-CA 3.42Å; F34-Q329 HydrophobicContact CD1-CB 4.15Å; F34-Q329 HydrophobicContact CE1-CB 4.01Å; F34-Q329 HydrophobicContact CE2-CB 4.47Å; F34-Q329 HydrophobicContact CG-CB 4.42Å; F34-Q329 HydrophobicContact CZ-CB 4.18Å; V327-Q329 HydrophobicContact CG1-CG 3.88Å
330	F	90.5	Very high	75.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.7	176.9	176.2	-91.3	0	0	0	110.6	V7 L9 F26 S27 F28 R29 P71 F75 G332 F333	V7-F330 HydrophobicContact CG1-CD2 3.99Å; V7-F330 HydrophobicContact CG1-CE2 3.7Å; L9-F330 HydrophobicContact CD2-CB 3.92Å; L9-F330 HydrophobicContact CD2-CD2 3.69Å; L9-F330 HydrophobicContact CD2-CG 4.3Å; F26-F330 HydrophobicContact CE1-CB 3.47Å; F26-F330 VanDerWaalsContact CE1-CB 3.47Å; F26-F330 HydrophobicContact CE1-CG 4.26Å; F26-F330 HydrophobicContact CZ-CB 3.73Å; F26-F330 HydrophobicContact CZ-CG 4.47Å; S27-F330 PolarHBondContact O-N 3.31Å; F28-F330 HydrophobicContact CD1-CB 4.16Å; F28-F330 AromaticContact CD1-CD1 3.69Å; F28-F330 HydrophobicContact CD1-CD1 3.69Å; F28-F330 HydrophobicContact CD1-CG 4.28Å; F28-F330 HydrophobicContact CE1-CB 4.31Å; F28-F330 AromaticContact CE1-CD1 3.98Å; F28-F330 HydrophobicContact CE1-CD1 3.98Å; F28-F330 HydrophobicContact CE1-CG 4.34Å; R29-F330 PolarHBondContact N-O 3.3Å; R29-F330 VanDerWaalsContact N-O 3.12Å; P71-F330 HydrophobicContact CB-CD1 3.91Å; P71-F330 HydrophobicContact CB-CE1 4.06Å; P71-F330 VanDerWaalsContact O-CE1 3.24Å; P71-F330 WeakPolarHBondContact O-CE1 3.3Å; F75-F330 HydrophobicContact CB-CD1 4.37Å; F75-F330 HydrophobicContact CB-CE1 3.93Å; F75-F330 HydrophobicContact CB-CZ 4.34Å; F75-F330 HydrophobicContact CD2-CE1 4.46Å; F75-F330 HydrophobicContact CD2-CE2 4.42Å; F75-F330 HydrophobicContact CD2-CZ 4.34Å; F330-G332 VanDerWaalsContact CE1-CA 3.47Å; F330-G332 VanDerWaalsContact CE1-N 3.28Å; F330-G332 WeakPolarHBondContact CE2-O 3.44Å; F330-G332 VanDerWaalsContact CZ-CA 3.44Å; F330-F333 HydrophobicContact CE2-CD1 4.17Å; F330-F333 AromaticContact CE2-CE1 3.95Å; F330-F333 HydrophobicContact CE2-CE1 3.95Å; F330-F333 HydrophobicContact CE2-CZ 4.23Å; F330-F333 HydrophobicContact CZ-CD1 4.1Å; F330-F333 HydrophobicContact CZ-CD2 4.06Å; F330-F333 AromaticContact CZ-CE1 3.92Å; F330-F333 HydrophobicContact CZ-CE1 3.92Å; F330-F333 AromaticContact CZ-CE2 3.88Å; F330-F333 HydrophobicContact CZ-CE2 3.88Å; F330-F333 HydrophobicContact CZ-CG 4.17Å; F330-F333 AromaticContact CZ-CZ 3.8Å; F330-F333 HydrophobicContact CZ-CZ 3.8Å
331	G	87.7	Confident	77.3	Confident	3 Å²	3	48.8 Å²	48.8	3%	0.031	25%	0.247	C	C	.	.			trans	-116.2	-3.2	-171.8	0	0	0	0	0	114.7	R29	R29-G331 WeakPolarHBondContact O-CA 3.49Å
332	G	89.4	Confident	78.5	Confident	11 Å²	11	44.2 Å²	44.2	11%	0.113	22%	0.223	C	C	.	.			trans	126.9	174.6	-173.1	0	0	0	0	0	112.1	F330	F330-G332 VanDerWaalsContact CE1-CA 3.47Å; F330-G332 VanDerWaalsContact CE1-N 3.28Å; F330-G332 WeakPolarHBondContact CE2-O 3.44Å; F330-G332 VanDerWaalsContact CZ-CA 3.44Å
333	F	89.3	Confident	79.6	Confident	69 Å²	69	49 Å²	49	30%	0.303	26%	0.257	S	S	.	.	S	Bend	trans	-91.6	-7.9	177.4	-65	-70.5	0	0	0	113.5	V7 W52 A74 F75 R78 F330 E335	V7-F333 HydrophobicContact CG1-CE1 4.47Å; V7-F333 HydrophobicContact CG2-CD1 4.38Å; V7-F333 HydrophobicContact CG2-CE1 4.15Å; W52-F333 HydrophobicContact CE3-CE1 4.03Å; W52-F333 HydrophobicContact CE3-CZ 4.31Å; W52-F333 HydrophobicContact CH2-CZ 4.33Å; W52-F333 AromaticContact CZ3-CE1 3.82Å; W52-F333 HydrophobicContact CZ3-CE1 3.82Å; W52-F333 AromaticContact CZ3-CZ 3.67Å; W52-F333 HydrophobicContact CZ3-CZ 3.67Å; A74-F333 HydrophobicContact CB-CD2 4.21Å; A74-F333 HydrophobicContact CB-CE2 4.2Å; F75-F333 HydrophobicContact CD2-CZ 4.41Å; R78-F333 HydrophobicContact CB-CE2 4.18Å; R78-F333 HydrophobicContact CB-CZ 4.06Å; R78-F333 HydrophobicContact CG-CZ 4.33Å; R78-F333 VanDerWaalsContact NH1-CE1 3.26Å; F330-F333 HydrophobicContact CE2-CD1 4.17Å; F330-F333 AromaticContact CE2-CE1 3.95Å; F330-F333 HydrophobicContact CE2-CE1 3.95Å; F330-F333 HydrophobicContact CE2-CZ 4.23Å; F330-F333 HydrophobicContact CZ-CD1 4.1Å; F330-F333 HydrophobicContact CZ-CD2 4.06Å; F330-F333 AromaticContact CZ-CE1 3.92Å; F330-F333 HydrophobicContact CZ-CE1 3.92Å; F330-F333 AromaticContact CZ-CE2 3.88Å; F330-F333 HydrophobicContact CZ-CE2 3.88Å; F330-F333 HydrophobicContact CZ-CG 4.17Å; F330-F333 AromaticContact CZ-CZ 3.8Å; F330-F333 HydrophobicContact CZ-CZ 3.8Å; F333-E335 PolarHBondContact O-N 2.89Å; F333-E335 VanDerWaalsContact O-N 3.12Å
334	D	86.8	Confident	80.4	Confident	86 Å²	86	51.9 Å²	51.9	46%	0.46	26%	0.261	S	S	.	.			trans	-79.2	93	173	-170.5	-20.3	0	0	0	109.7	S336 Q337 V338	D334-S336 PolarHBondContact O-N 2.84Å; D334-S336 WeakPolarHBondContact OD1-CA 3.37Å; D334-S336 VanDerWaalsContact OD1-CB 3.31Å; D334-S336 WeakPolarHBondContact OD1-CB 3.35Å; D334-S336 PolarHBondContact OD1-N 3.1Å; D334-Q337 HydrophobicContact CB-CB 3.96Å; D334-Q337 PolarHBondContact O-N 3.43Å; D334-Q337 PolarHBondContact OD1-N 3.07Å; D334-Q337 VanDerWaalsContact OD1-N 3.12Å; D334-V338 PolarHBondContact O-N 3.04Å
335	E	85	Confident	81.2	Confident	56 Å²	56	49.3 Å²	49.3	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-58.4	-32.3	177	-67	-163.2	-163.4	0	0	112.7	L8 F333 V338 R339	L8-E335 HydrophobicContact CB-CG 3.89Å; L8-E335 HydrophobicContact CD2-CB 4.32Å; F333-E335 PolarHBondContact O-N 2.89Å; F333-E335 VanDerWaalsContact O-N 3.12Å; E335-V338 PolarHBondContact O-N 3.4Å; E335-R339 WeakPolarHBondContact O-CB 3.38Å; E335-R339 VanDerWaalsContact O-CG 3.23Å; E335-R339 WeakPolarHBondContact O-CG 3.41Å; E335-R339 PolarHBondContact O-N 3.33Å; E335-R339 IonicContact OE2-CZ 3.86Å; E335-R339 IonicContact OE2-NE 2.9Å; E335-R339 IonicContact OE2-NH2 3.94Å; E335-R339 PolarHBondContact OE2-NH2 2.71Å
336	S	85.8	Confident	80.8	Confident	87 Å²	87	55.6 Å²	55.6	61%	0.608	29%	0.286	S	S	*	.	H	α-helix	trans	-68	-43.8	-177.4	-51.3	0	0	0	0	110	D334 V338 R339 E340	D334-S336 PolarHBondContact O-N 2.84Å; D334-S336 WeakPolarHBondContact OD1-CA 3.37Å; D334-S336 VanDerWaalsContact OD1-CB 3.31Å; D334-S336 WeakPolarHBondContact OD1-CB 3.35Å; D334-S336 PolarHBondContact OD1-N 3.1Å; S336-V338 VanDerWaalsContact C-N 3.34Å; S336-V338 PolarHBondContact O-N 2.72Å; S336-R339 PolarHBondContact O-N 3.28Å; S336-E340 VanDerWaalsContact O-CB 3.29Å; S336-E340 WeakPolarHBondContact O-CB 3.37Å; S336-E340 PolarHBondContact O-N 3.43Å
337	Q	85.2	Confident	80	Confident	91 Å²	91	60 Å²	60	43%	0.425	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-45.4	175.2	-172.8	-174.3	17.3	0	0	111.7	D334 E341	D334-Q337 HydrophobicContact CB-CB 3.96Å; D334-Q337 PolarHBondContact O-N 3.43Å; D334-Q337 PolarHBondContact OD1-N 3.07Å; D334-Q337 VanDerWaalsContact OD1-N 3.12Å; Q337-E341 PolarHBondContact O-N 3.34Å
338	V	84.8	Confident	78.6	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-48.4	178	178.6	0	0	0	0	110.3	L8 P31 F34 L47 D334 E335 S336 E340 E341 F342	L8-V338 HydrophobicContact CD2-CB 3.88Å; L8-V338 HydrophobicContact CD2-CG1 3.7Å; L8-V338 HydrophobicContact CG-CG1 4.15Å; P31-V338 HydrophobicContact CG-CG2 3.91Å; F34-V338 HydrophobicContact CE2-CG1 4.21Å; L47-V338 HydrophobicContact CD2-CG1 3.81Å; D334-V338 PolarHBondContact O-N 3.04Å; E335-V338 PolarHBondContact O-N 3.4Å; S336-V338 VanDerWaalsContact C-N 3.34Å; S336-V338 PolarHBondContact O-N 2.72Å; V338-E340 PolarHBondContact O-N 3.36Å; V338-E341 PolarHBondContact O-N 3.26Å; V338-F342 HydrophobicContact CG1-CD2 4.24Å; V338-F342 HydrophobicContact CG1-CE2 4.27Å; V338-F342 VanDerWaalsContact O-CD2 3.28Å; V338-F342 WeakPolarHBondContact O-CD2 3.46Å; V338-F342 PolarHBondContact O-N 3.36Å
339	R	84.4	Confident	76.8	Confident	86 Å²	86	65.6 Å²	65.6	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-38.1	-179.3	-71.9	176.7	-167.4	-75.8	-2	112.9	L8 E335 S336 E341 F342 S343	L8-R339 HydrophobicContact CD2-CG 3.58Å; E335-R339 WeakPolarHBondContact O-CB 3.38Å; E335-R339 VanDerWaalsContact O-CG 3.23Å; E335-R339 WeakPolarHBondContact O-CG 3.41Å; E335-R339 PolarHBondContact O-N 3.33Å; E335-R339 IonicContact OE2-CZ 3.86Å; E335-R339 IonicContact OE2-NE 2.9Å; E335-R339 IonicContact OE2-NH2 3.94Å; E335-R339 PolarHBondContact OE2-NH2 2.71Å; S336-R339 PolarHBondContact O-N 3.28Å; R339-E341 VanDerWaalsContact C-N 3.32Å; R339-E341 PolarHBondContact O-N 3.11Å; R339-F342 PolarHBondContact O-N 3.36Å; R339-S343 WeakPolarHBondContact O-CB 3.47Å; R339-S343 PolarHBondContact O-N 3.4Å; R339-S343 PolarHBondContact O-OG 2.9Å
340	E	83.7	Confident	74.8	Confident	105 Å²	105	73.7 Å²	73.7	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-43.2	179.4	-174.7	-178.9	177.8	0	0	110.9	S336 V338 F342 S343 R344	S336-E340 VanDerWaalsContact O-CB 3.29Å; S336-E340 WeakPolarHBondContact O-CB 3.37Å; S336-E340 PolarHBondContact O-N 3.43Å; V338-E340 PolarHBondContact O-N 3.36Å; E340-F342 VanDerWaalsContact C-N 3.28Å; E340-F342 PolarHBondContact O-N 3.25Å; E340-S343 PolarHBondContact O-N 3.12Å; E340-R344 WeakPolarHBondContact O-CG 3.43Å; E340-R344 PolarHBondContact O-N 3.5Å; E340-R344 IonicContact OE1-CZ 3.75Å; E340-R344 IonicContact OE1-NE 2.62Å; E340-R344 IonicContact OE1-NH2 3.14Å; E340-R344 PolarHBondContact OE1-NH2 3Å
341	E	81.2	Confident	72.8	Confident	45 Å²	45	75.9 Å²	75.9	21%	0.21	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-38.3	176.9	-178.8	57.9	-152.6	0	0	111.9	P31 S32 Q337 V338 R339 R345	P31-E341 HydrophobicContact CB-CB 4.06Å; P31-E341 HydrophobicContact CB-CG 4.05Å; S32-E341 WeakPolarHBondContact CA-OE1 3.45Å; Q337-E341 PolarHBondContact O-N 3.34Å; V338-E341 PolarHBondContact O-N 3.26Å; R339-E341 VanDerWaalsContact C-N 3.32Å; R339-E341 PolarHBondContact O-N 3.11Å; E341-R345 IonicContact OE1-CZ 3.09Å; E341-R345 IonicContact OE1-NE 3.72Å; E341-R345 PolarHBondContact OE1-NE 3.34Å; E341-R345 IonicContact OE1-NH2 3.55Å; E341-R345 PolarHBondContact OE1-NH2 3.16Å
342	F	74.4	Confident	70.6	Confident	11 Å²	11	79.8 Å²	79.8	5%	0.048	41%	0.408	C	S	.	.	H	α-helix	trans	-79	-31.1	177.2	-80	-76.7	0	0	0	114.5	W10 F34 L47 V338 R339 E340 R344 R345 A348	W10-F342 HydrophobicContact CD2-CE1 4.01Å; W10-F342 AromaticContact CD2-CZ 3.7Å; W10-F342 HydrophobicContact CD2-CZ 3.7Å; W10-F342 HydrophobicContact CE3-CD1 4.1Å; W10-F342 AromaticContact CE3-CE1 3.32Å; W10-F342 HydrophobicContact CE3-CE1 3.32Å; W10-F342 HydrophobicContact CE3-CE2 4.06Å; W10-F342 AromaticContact CE3-CZ 3.26Å; W10-F342 HydrophobicContact CE3-CZ 3.26Å; W10-F342 HydrophobicContact CG-CZ 4.36Å; W10-F342 HydrophobicContact CH2-CD1 4.14Å; W10-F342 AromaticContact CH2-CE1 3.38Å; W10-F342 HydrophobicContact CH2-CE1 3.38Å; W10-F342 HydrophobicContact CH2-CZ 4.08Å; W10-F342 HydrophobicContact CZ2-CE1 4.06Å; W10-F342 HydrophobicContact CZ2-CZ 4.45Å; W10-F342 AromaticContact CZ3-CD1 3.57Å; W10-F342 HydrophobicContact CZ3-CD1 3.57Å; W10-F342 AromaticContact CZ3-CE1 2.98Å; W10-F342 HydrophobicContact CZ3-CE1 2.98Å; W10-F342 HydrophobicContact CZ3-CE2 4.48Å; W10-F342 AromaticContact CZ3-CZ 3.52Å; W10-F342 HydrophobicContact CZ3-CZ 3.52Å; F34-F342 HydrophobicContact CB-CE2 4.2Å; F34-F342 HydrophobicContact CB-CZ 3.57Å; F34-F342 AromaticContact CD2-CE2 3.38Å; F34-F342 HydrophobicContact CD2-CE2 3.38Å; F34-F342 AromaticContact CD2-CZ 3.46Å; F34-F342 HydrophobicContact CD2-CZ 3.46Å; F34-F342 VanDerWaalsContact CD2-CZ 3.46Å; F34-F342 HydrophobicContact CE2-CE2 4.07Å; F34-F342 HydrophobicContact CG-CE2 4.15Å; F34-F342 AromaticContact CG-CZ 3.97Å; F34-F342 HydrophobicContact CG-CZ 3.97Å; L47-F342 HydrophobicContact CD1-CB 3.87Å; L47-F342 HydrophobicContact CD1-CD2 3.62Å; L47-F342 HydrophobicContact CD1-CE2 4.39Å; L47-F342 HydrophobicContact CD1-CG 3.75Å; L47-F342 HydrophobicContact CD2-CD2 3.81Å; L47-F342 HydrophobicContact CD2-CE2 3.73Å; L47-F342 HydrophobicContact CD2-CZ 4.38Å; L47-F342 HydrophobicContact CG-CD2 3.91Å; L47-F342 HydrophobicContact CG-CE2 4.21Å; L47-F342 HydrophobicContact CG-CG 4.14Å; V338-F342 HydrophobicContact CG1-CD2 4.24Å; V338-F342 HydrophobicContact CG1-CE2 4.27Å; V338-F342 VanDerWaalsContact O-CD2 3.28Å; V338-F342 WeakPolarHBondContact O-CD2 3.46Å; V338-F342 PolarHBondContact O-N 3.36Å; R339-F342 PolarHBondContact O-N 3.36Å; E340-F342 VanDerWaalsContact C-N 3.28Å; E340-F342 PolarHBondContact O-N 3.25Å; F342-R344 PolarHBondContact O-N 3.06Å; F342-R344 VanDerWaalsContact O-N 3.12Å; F342-R345 PolarHBondContact O-N 3.42Å; F342-A348 HydrophobicContact CD1-CB 4.38Å
343	S	73.7	Confident	68.6	Low	105 Å²	105	83.1 Å²	83.1	73%	0.734	43%	0.43	S	S	*	.	H	α-helix	trans	-62	-20.7	174.7	-57.8	0	0	0	0	111.8	R339 E340	R339-S343 WeakPolarHBondContact O-CB 3.47Å; R339-S343 PolarHBondContact O-N 3.4Å; R339-S343 PolarHBondContact O-OG 2.9Å; E340-S343 PolarHBondContact O-N 3.12Å
344	R	68	Low	66.4	Low	172 Å²	172	87.2 Å²	87.2	65%	0.649	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.4	174	-63.4	173.7	-176	-178.6	0.5	113.8	E340 F342	E340-R344 WeakPolarHBondContact O-CG 3.43Å; E340-R344 PolarHBondContact O-N 3.5Å; E340-R344 IonicContact OE1-CZ 3.75Å; E340-R344 IonicContact OE1-NE 2.62Å; E340-R344 IonicContact OE1-NH2 3.14Å; E340-R344 PolarHBondContact OE1-NH2 3Å; F342-R344 PolarHBondContact O-N 3.06Å; F342-R344 VanDerWaalsContact O-N 3.12Å
345	R	67.9	Low	64.7	Low	63 Å²	63	84 Å²	84	24%	0.238	43%	0.433	C	S	.	.			trans	-104.2	120.2	-176	-64.8	177	-175.2	-148	-4.6	110.6	S32 F34 E341 F342 E347	S32-R345 PolarHBondContact O-NH2 3.41Å; F34-R345 PolarHBondContact O-NH1 3.36Å; E341-R345 IonicContact OE1-CZ 3.09Å; E341-R345 IonicContact OE1-NE 3.72Å; E341-R345 PolarHBondContact OE1-NE 3.34Å; E341-R345 IonicContact OE1-NH2 3.55Å; E341-R345 PolarHBondContact OE1-NH2 3.16Å; F342-R345 PolarHBondContact O-N 3.42Å; R345-E347 PolarHBondContact O-N 2.9Å; R345-E347 VanDerWaalsContact O-N 3.13Å
346	T	53.5	Low	63.2	Low	150 Å²	150	85.6 Å²	85.6	92%	0.92	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.7	177	13.3	0	0	0	0	114.5
347	E	54.6	Low	61.6	Low	119 Å²	119	85.9 Å²	85.9	56%	0.556	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	4.5	-170.9	-62.9	171	-164.5	0	0	114	K41 R345 V349	K41-E347 IonicContact NZ-OE1 3.52Å; K41-E347 PolarHBondContact NZ-OE1 3.48Å; K41-E347 VanDerWaalsContact NZ-OE1 3.14Å; K41-E347 IonicContact NZ-OE2 3.65Å; R345-E347 PolarHBondContact O-N 2.9Å; R345-E347 VanDerWaalsContact O-N 3.13Å; E347-V349 PolarHBondContact O-N 3.13Å
348	A	50	Low	60.1	Low	35 Å²	35	82.9 Å²	82.9	29%	0.289	43%	0.428	S	S	.	.			trans	-75.8	95.6	-177.7	0	0	0	0	0	111.7	F342	F342-A348 HydrophobicContact CD1-CB 4.38Å
349	V	49	Very low	58.7	Low	82 Å²	82	83.5 Å²	83.5	50%	0.497	43%	0.431	S	S	.	.			trans	-87	153.2	169.8	-173.4	0	0	0	0	109	E46 E347	E46-V349 WeakPolarHBondContact CB-O 3.21Å; E46-V349 WeakPolarHBondContact CG-O 3.38Å; E46-V349 WeakPolarHBondContact OE1-CG1 3.17Å; E347-V349 PolarHBondContact O-N 3.13Å
350	W	46.7	Very low	57.4	Low	170 Å²	170	85 Å²	85	64%	0.644	44%	0.44	S	S	*	.			trans	-113.3	133.3	178.3	-64.5	85.1	0	0	0	109.4	E46 L47	E46-W350 WeakPolarHBondContact OE1-CA 3.43Å; E46-W350 PolarHBondContact OE1-N 3.31Å; L47-W350 HydrophobicContact CB-CH2 4.46Å; L47-W350 HydrophobicContact CB-CZ3 4.33Å
351	L	48	Very low	55.8	Low	46 Å²	46	83.5 Å²	83.5	24%	0.241	44%	0.441	C	S	.	.			trans	-36.7	132.5	-166.4	-81.9	155.7	0	0	0	118.3	E46 F48 L355 Q356	E46-L351 HydrophobicContact CB-CG 4.23Å; E46-L351 VanDerWaalsContact CD-CA 3.46Å; E46-L351 VanDerWaalsContact CD-N 3.3Å; E46-L351 WeakPolarHBondContact OE1-CA 3.5Å; E46-L351 PolarHBondContact OE1-N 2.61Å; E46-L351 WeakPolarHBondContact OE2-CA 3.46Å; E46-L351 WeakPolarHBondContact OE2-CD2 3.47Å; E46-L351 WeakPolarHBondContact OE2-CG 3.48Å; E46-L351 PolarHBondContact OE2-N 2.98Å; F48-L351 HydrophobicContact CB-CD1 4.19Å; L351-L355 HydrophobicContact CD2-CB 3.65Å; L351-Q356 HydrophobicContact CD1-CG 4.12Å
352	P	42.2	Very low	54.3	Low	86 Å²	86	85.1 Å²	85.1	56%	0.558	45%	0.451	S	S	*	.			trans	-73.2	146.1	142	-10.7	27.9	0	0	0	111	E354	P352-E354 PolarHBondContact O-N 3.45Å
353	S	46.6	Very low	52.9	Low	81 Å²	81	87.4 Å²	87.4	57%	0.566	46%	0.464	S	S	*	.	H	α-helix	trans	-54.9	-14.7	-170	49	0	0	0	0	118	N357	S353-N357 VanDerWaalsContact O-CG 3.22Å; S353-N357 PolarHBondContact O-N 3.38Å; S353-N357 PolarHBondContact O-ND2 3.37Å
354	E	42.9	Very low	51.2	Low	155 Å²	155	91.9 Å²	91.9	72%	0.724	48%	0.48	S	S	*	.	H	α-helix	trans	-72	-42.2	-169.1	-66.6	-179.9	166.1	0	0	113.7	P352 N357 G358	P352-E354 PolarHBondContact O-N 3.45Å; E354-N357 PolarHBondContact O-N 3.3Å; E354-G358 PolarHBondContact O-N 3.25Å
355	L	52.1	Low	50.4	Low	18 Å²	18	87.9 Å²	87.9	9%	0.094	47%	0.471	C	S	.	.	H	α-helix	trans	-74.1	-34.9	-178.5	-153.4	154.3	0	0	0	111.3	A11 Y13 L351 N357 G358 L359	A11-L355 HydrophobicContact CB-CD2 3.93Å; Y13-L355 HydrophobicContact CD2-CD1 3.54Å; Y13-L355 HydrophobicContact CE1-CD1 4.48Å; Y13-L355 HydrophobicContact CE2-CB 4.39Å; Y13-L355 HydrophobicContact CE2-CD1 3.2Å; Y13-L355 HydrophobicContact CE2-CG 3.8Å; Y13-L355 HydrophobicContact CG-CD1 4.34Å; L351-L355 HydrophobicContact CD2-CB 3.65Å; L355-N357 VanDerWaalsContact C-N 3.29Å; L355-N357 PolarHBondContact O-N 3.04Å; L355-G358 PolarHBondContact O-N 2.75Å; L355-L359 HydrophobicContact CD2-CD1 3.81Å; L355-L359 HydrophobicContact CD2-CG 4.1Å; L355-L359 PolarHBondContact O-N 3.48Å
356	Q	52.9	Low	49.5	Very low	89 Å²	89	89.2 Å²	89.2	42%	0.416	48%	0.484	S	S	.	.	H	α-helix	trans	-60.5	-38.8	170.8	-116.5	-176.5	26.8	0	0	112	L351 K360	L351-Q356 HydrophobicContact CD1-CG 4.12Å; Q356-K360 WeakPolarHBondContact O-CB 3.47Å; Q356-K360 VanDerWaalsContact O-CG 3.27Å; Q356-K360 WeakPolarHBondContact O-CG 3.44Å; Q356-K360 PolarHBondContact O-N 2.9Å
357	N	51.1	Low	49.2	Very low	93 Å²	93	85.8 Å²	85.8	50%	0.497	46%	0.459	S	S	.	.	H	α-helix	trans	-69.2	-39.2	175.1	-70.7	-19.8	0	0	0	111.6	S353 E354 L355 K360 S361	S353-N357 VanDerWaalsContact O-CG 3.22Å; S353-N357 PolarHBondContact O-N 3.38Å; S353-N357 PolarHBondContact O-ND2 3.37Å; E354-N357 PolarHBondContact O-N 3.3Å; L355-N357 VanDerWaalsContact C-N 3.29Å; L355-N357 PolarHBondContact O-N 3.04Å; N357-K360 PolarHBondContact O-N 2.7Å; N357-S361 WeakPolarHBondContact O-CB 3.34Å; N357-S361 PolarHBondContact O-N 3.09Å
358	G	53.8	Low	48.9	Very low	28 Å²	28	83.9 Å²	83.9	29%	0.289	45%	0.454	S	S	.	.	H	α-helix	trans	-58.4	-50.1	172.7	0	0	0	0	0	112.6	E354 L355 K360 S361 L362	E354-G358 PolarHBondContact O-N 3.25Å; L355-G358 PolarHBondContact O-N 2.75Å; G358-K360 PolarHBondContact O-N 3.48Å; G358-S361 PolarHBondContact O-N 2.93Å; G358-S361 VanDerWaalsContact O-N 3.15Å; G358-S361 PolarHBondContact O-OG 3.15Å; G358-L362 PolarHBondContact O-N 3.36Å
359	L	56.7	Low	48.9	Very low	14 Å²	14	86.9 Å²	86.9	7%	0.073	46%	0.464	C	S	.	.	H	α-helix	trans	-65.1	-36.6	177	-70.9	172.6	0	0	0	112.8	L24 F48 V328 L355 S361 L362	L24-L359 HydrophobicContact CD1-CD2 4.18Å; F48-L359 HydrophobicContact CE1-CD1 4.39Å; F48-L359 HydrophobicContact CE2-CD1 4.22Å; F48-L359 HydrophobicContact CZ-CD1 4.06Å; V328-L359 HydrophobicContact CG2-CD2 4.46Å; L355-L359 HydrophobicContact CD2-CD1 3.81Å; L355-L359 HydrophobicContact CD2-CG 4.1Å; L355-L359 PolarHBondContact O-N 3.48Å; L359-S361 VanDerWaalsContact C-N 3.3Å; L359-S361 PolarHBondContact O-N 2.91Å; L359-L362 HydrophobicContact CD2-CD1 4.25Å; L359-L362 PolarHBondContact O-N 3.14Å
360	K	55.8	Low	48.9	Very low	118 Å²	118	87.3 Å²	87.3	51%	0.513	46%	0.462	S	S	.	.	H	α-helix	trans	-65.2	-34.9	173.1	-77.6	174.7	-177.3	173.1	0	112.2	Q356 N357 G358 L362 N363	Q356-K360 WeakPolarHBondContact O-CB 3.47Å; Q356-K360 VanDerWaalsContact O-CG 3.27Å; Q356-K360 WeakPolarHBondContact O-CG 3.44Å; Q356-K360 PolarHBondContact O-N 2.9Å; N357-K360 PolarHBondContact O-N 2.7Å; G358-K360 PolarHBondContact O-N 3.48Å; K360-L362 PolarHBondContact O-N 3.1Å; K360-N363 PolarHBondContact O-N 3.06Å; K360-N363 VanDerWaalsContact O-N 3.12Å
361	S	51.7	Low	49	Very low	73 Å²	73	81.4 Å²	81.4	51%	0.51	45%	0.449	S	S	.	.	H	α-helix	trans	-68.5	-22.5	177.6	75.1	0	0	0	0	113.4	N357 G358 L359 N363	N357-S361 WeakPolarHBondContact O-CB 3.34Å; N357-S361 PolarHBondContact O-N 3.09Å; G358-S361 PolarHBondContact O-N 2.93Å; G358-S361 VanDerWaalsContact O-N 3.15Å; G358-S361 PolarHBondContact O-OG 3.15Å; L359-S361 VanDerWaalsContact C-N 3.3Å; L359-S361 PolarHBondContact O-N 2.91Å; S361-N363 VanDerWaalsContact C-N 3.3Å
362	L	49.7	Very low	49.1	Very low	79 Å²	79	84.1 Å²	84.1	41%	0.414	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.5	171.6	-68.5	170	0	0	0	113.1	G358 L359 K360	G358-L362 PolarHBondContact O-N 3.36Å; L359-L362 HydrophobicContact CD2-CD1 4.25Å; L359-L362 PolarHBondContact O-N 3.14Å; K360-L362 PolarHBondContact O-N 3.1Å
363	N	44.3	Very low	49.7	Very low	60 Å²	60	83.9 Å²	83.9	32%	0.321	46%	0.457	S	S	.	.			trans	-94.7	-7.3	-179.2	-76.2	-25.2	0	0	0	113.9	S57 Y58 K360 S361	S57-N363 PolarHBondContact OG-OD1 3.36Å; Y58-N363 WeakPolarHBondContact CD1-OD1 3.44Å; K360-N363 PolarHBondContact O-N 3.06Å; K360-N363 VanDerWaalsContact O-N 3.12Å; S361-N363 VanDerWaalsContact C-N 3.3Å
364	N	38.4	Very low	49.9	Very low	199 Å²	199	84.2 Å²	84.2	100%	1.064	45%	0.447	S	S	*	.			trans	-106.9	0	177	-69.6	-21.3	0	0	0	109.6

Retrieved 364 of 364 residues in 1096.4 ms (Link to these results)

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