A0A087Y036_POEFO Loading...

Calbindin 2a

AlphaFold DB , UniProt , Accession A0A087Y036, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 270 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	31.8	Very low	41.8	Very low	247 Å²	247	117.3 Å²	117.3	100%	1.217	63%	0.632	S	S	*	*				0	115.3	0	-70	172.4	176.5	0	0	106.5	N3	M1-N3 PolarHBondContact O-N 3.1Å
2	A	30.5	Very low	43.3	Very low	100 Å²	100	117.1 Å²	117.1	83%	0.826	62%	0.624	S	S	*	*			trans	-71.7	126.1	-170.9	0	0	0	0	0	110.7	K4	A2-K4 PolarHBondContact O-N 2.91Å; A2-K4 VanDerWaalsContact O-N 3.11Å
3	N	31.6	Very low	44.2	Very low	168 Å²	168	113.5 Å²	113.5	90%	0.898	60%	0.604	S	S	*	*			trans	-67.6	102.9	174.2	-147	6.9	0	0	0	107.3	M1 A5	M1-N3 PolarHBondContact O-N 3.1Å; N3-A5 PolarHBondContact O-N 3.03Å
4	K	30.2	Very low	44.9	Very low	192 Å²	192	112 Å²	112	84%	0.835	62%	0.615	S	S	*	*			trans	-66.4	105.6	174.5	-82.4	-178.4	174.7	-179	0	107.2	A2 Q6	A2-K4 PolarHBondContact O-N 2.91Å; A2-K4 VanDerWaalsContact O-N 3.11Å; K4-Q6 PolarHBondContact O-N 3.09Å; K4-Q6 VanDerWaalsContact O-N 3.07Å
5	A	34.6	Very low	46	Very low	93 Å²	93	112.3 Å²	112.3	77%	0.769	61%	0.61	S	S	*	*			trans	-51.6	115.3	162.1	0	0	0	0	0	107.5	N3 Q7	N3-A5 PolarHBondContact O-N 3.03Å; A5-Q7 PolarHBondContact O-N 3.41Å
6	Q	37.5	Very low	47.5	Very low	169 Å²	169	105.4 Å²	105.4	79%	0.79	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-57.7	122.3	172.2	-78.4	167.5	-30.2	0	0	106.8	K4	K4-Q6 PolarHBondContact O-N 3.09Å; K4-Q6 VanDerWaalsContact O-N 3.07Å
7	Q	41.9	Very low	48.7	Very low	176 Å²	176	101.1 Å²	101.1	82%	0.822	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-59.5	144.1	174.3	-73.2	175.5	-22.7	0	0	108.8	A5	A5-Q7 PolarHBondContact O-N 3.41Å
8	P	49.6	Very low	49.7	Very low	43 Å²	43	96.3 Å²	96.3	28%	0.279	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-56.8	127.1	177.6	23.4	-32.6	0	0	0	108.6	H10 H12	P8-H10 PolarHBondContact O-N 3.23Å; P8-H12 WeakPolarHBondContact CG-NE2 3.38Å
9	P	56.3	Low	50.6	Low	19 Å²	19	93.5 Å²	93.5	12%	0.123	52%	0.515	C	S	.	.			trans	-66.7	109.5	-171.4	25.5	-31.7	0	0	0	108.4	L11 I24 H27	P9-L11 WeakPolarHBondContact O-CG 3.45Å; P9-L11 PolarHBondContact O-N 3.16Å; P9-I24 HydrophobicContact CB-CG1 4.15Å; P9-I24 HydrophobicContact CG-CG1 4.13Å; P9-I24 WeakPolarHBondContact O-CD1 3.34Å; P9-I24 WeakPolarHBondContact O-CG1 2.79Å; P9-H27 HydrophobicContact CG-CB 4Å
10	H	57.5	Low	51.8	Low	73 Å²	73	90.8 Å²	90.8	34%	0.338	50%	0.499	S	S	.	.	S	Bend	trans	55.3	1.2	161.8	-55.9	-65.6	0	0	0	118.9	P8 H12 L13 V16 Q20 I24	P8-H10 PolarHBondContact O-N 3.23Å; H10-H12 PolarHBondContact O-N 3.5Å; H10-H12 VanDerWaalsContact O-N 3.1Å; H10-L13 HydrophobicContact CB-CD1 3.73Å; H10-L13 HydrophobicContact CB-CG 4.23Å; H10-L13 VanDerWaalsContact O-CB 3.32Å; H10-L13 WeakPolarHBondContact O-CB 3.11Å; H10-L13 VanDerWaalsContact O-CG 3.31Å; H10-L13 WeakPolarHBondContact O-CG 3.23Å; H10-L13 PolarHBondContact O-N 2.89Å; H10-V16 HydrophobicContact CB-CG1 3.83Å; H10-Q20 HydrophobicContact CB-CB 4.05Å; H10-Q20 HydrophobicContact CB-CG 4.32Å; H10-I24 HydrophobicContact CB-CD1 4.12Å
11	L	58.7	Low	53	Low	10 Å²	10	86.5 Å²	86.5	5%	0.052	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.7	-177.9	-69.5	172.6	0	0	0	113.7	P9 I24 F28 F44 E47 L48 A51 L92	P9-L11 WeakPolarHBondContact O-CG 3.45Å; P9-L11 PolarHBondContact O-N 3.16Å; L11-I24 HydrophobicContact CD2-CD1 3.93Å; L11-I24 HydrophobicContact CD2-CG1 4.23Å; L11-I24 HydrophobicContact CD2-CG2 3.9Å; L11-I24 HydrophobicContact CG-CD1 4.37Å; L11-I24 HydrophobicContact CG-CG1 4.45Å; L11-F28 HydrophobicContact CD1-CE2 3.99Å; L11-F28 HydrophobicContact CD1-CZ 3.95Å; L11-F44 HydrophobicContact CD2-CE2 4.06Å; L11-E47 HydrophobicContact CD1-CB 3.78Å; L11-L48 HydrophobicContact CD2-CD1 4.19Å; L11-A51 HydrophobicContact CB-CB 3.78Å; L11-L92 HydrophobicContact CD2-CD1 4.49Å; L11-L92 HydrophobicContact CD2-CD2 3.7Å
12	H	59.3	Low	54.9	Low	115 Å²	115	75.1 Å²	75.1	53%	0.532	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-10.1	175.4	-63.6	-84.1	0	0	0	113.5	P8 H10 A51	P8-H12 WeakPolarHBondContact CG-NE2 3.38Å; H10-H12 PolarHBondContact O-N 3.5Å; H10-H12 VanDerWaalsContact O-N 3.1Å; H12-A51 WeakPolarHBondContact CE1-CA 3.49Å; H12-A51 VanDerWaalsContact ND1-CA 3.33Å; H12-A51 WeakPolarHBondContact ND1-CA 3.46Å; H12-A51 PolarHBondContact ND1-O 3.18Å; H12-A51 VanDerWaalsContact ND1-O 3.09Å
13	L	54.5	Low	57.1	Low	71 Å²	71	74.5 Å²	74.5	37%	0.372	40%	0.402	S	S	.	.			trans	-71.7	142.4	-176.8	-62.7	-179.9	0	0	0	110.8	H10 E15 V16	H10-L13 HydrophobicContact CB-CD1 3.73Å; H10-L13 HydrophobicContact CB-CG 4.23Å; H10-L13 VanDerWaalsContact O-CB 3.32Å; H10-L13 WeakPolarHBondContact O-CB 3.11Å; H10-L13 VanDerWaalsContact O-CG 3.31Å; H10-L13 WeakPolarHBondContact O-CG 3.23Å; H10-L13 PolarHBondContact O-N 2.89Å; L13-E15 VanDerWaalsContact C-N 3.25Å; L13-E15 VanDerWaalsContact CB-O 3.29Å; L13-E15 WeakPolarHBondContact CB-O 3.25Å; L13-E15 PolarHBondContact O-N 3.29Å; L13-V16 HydrophobicContact CB-CG1 4.38Å; L13-V16 HydrophobicContact CD1-CG1 4.09Å
14	A	55.1	Low	59.3	Low	92 Å²	92	66.5 Å²	66.5	76%	0.76	36%	0.359	S	S	*	.	S	Bend	trans	-65	-33.4	174.8	0	0	0	0	0	111.7	P93	A14-P93 WeakPolarHBondContact O-CB 3.41Å; A14-P93 VanDerWaalsContact O-CG 3.23Å; A14-P93 WeakPolarHBondContact O-CG 3.31Å
15	E	61.5	Low	61.6	Low	116 Å²	116	57.9 Å²	57.9	54%	0.542	32%	0.321	S	S	.	.	S	Bend	trans	-137.5	140.7	169.9	-72.2	178.7	172.8	0	0	109.9	L13 P93	L13-E15 VanDerWaalsContact C-N 3.25Å; L13-E15 VanDerWaalsContact CB-O 3.29Å; L13-E15 WeakPolarHBondContact CB-O 3.25Å; L13-E15 PolarHBondContact O-N 3.29Å; E15-P93 CarbonylContact C-O 3.46Å; E15-P93 WeakPolarHBondContact CA-O 3.17Å
16	V	68.8	Low	63.6	Low	2 Å²	2	59 Å²	59	1%	0.012	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-111.3	125.6	177.2	-109.5	0	0	0	0	111.1	H10 L13 Q20 I24 L92 P93 T94 E95	H10-V16 HydrophobicContact CB-CG1 3.83Å; L13-V16 HydrophobicContact CB-CG1 4.38Å; L13-V16 HydrophobicContact CD1-CG1 4.09Å; V16-Q20 HydrophobicContact CB-CB 4.38Å; V16-Q20 HydrophobicContact CG1-CB 3.75Å; V16-I24 HydrophobicContact CG1-CD1 3.87Å; V16-L92 HydrophobicContact CG2-CB 4.05Å; V16-P93 WeakPolarHBondContact CG2-O 3.41Å; V16-P93 PolarHBondContact N-O 3.39Å; V16-T94 HydrophobicContact CB-CG2 4.49Å; V16-T94 HydrophobicContact CG2-CG2 4.05Å; V16-T94 CarbonylContact O-C 3.46Å; V16-T94 WeakPolarHBondContact O-CA 3.45Å; V16-E95 PolarHBondContact O-N 3.48Å
17	T	68.4	Low	65.8	Low	33 Å²	33	54.3 Å²	54.3	20%	0.202	29%	0.287	C	S	.	.			trans	-64.8	162.8	173.7	61	0	0	0	0	111.3	S19 Q20 F21	T17-S19 PolarHBondContact O-N 3.03Å; T17-S19 PolarHBondContact OG1-OG 3.3Å; T17-S19 VanDerWaalsContact OG1-OG 3.13Å; T17-Q20 PolarHBondContact O-N 3.02Å; T17-Q20 VanDerWaalsContact O-N 3.16Å; T17-Q20 WeakPolarHBondContact OG1-CB 3.46Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.36Å; T17-Q20 PolarHBondContact OG1-N 2.9Å; T17-Q20 PolarHBondContact OG1-OE1 3.45Å; T17-F21 WeakPolarHBondContact O-CB 3.35Å; T17-F21 PolarHBondContact O-N 3.26Å
18	A	66.8	Low	67.7	Low	14 Å²	14	46.1 Å²	46.1	12%	0.116	25%	0.248	C	C	.	.	H	α-helix	trans	-60.1	-33.7	179.4	0	0	0	0	0	112.8	L22 F98 T158 M162	A18-L22 PolarHBondContact O-N 3.38Å; A18-L22 VanDerWaalsContact O-N 3.11Å; A18-F98 HydrophobicContact CB-CD1 3.98Å; A18-T158 HydrophobicContact CB-CG2 3.82Å; A18-M162 WeakPolarHBondContact O-CE 3.42Å
19	S	67.6	Low	69.3	Low	43 Å²	43	44.8 Å²	44.8	30%	0.301	24%	0.239	S	C	.	.	H	α-helix	trans	-69.5	-43.5	174.7	56.3	0	0	0	0	112.4	T17 L22 D23	T17-S19 PolarHBondContact O-N 3.03Å; T17-S19 PolarHBondContact OG1-OG 3.3Å; T17-S19 VanDerWaalsContact OG1-OG 3.13Å; S19-L22 WeakPolarHBondContact O-CB 3.31Å; S19-L22 PolarHBondContact O-N 2.82Å; S19-L22 VanDerWaalsContact O-N 3.17Å; S19-D23 PolarHBondContact O-N 3.09Å
20	Q	74.3	Confident	70.3	Confident	40 Å²	40	49.3 Å²	49.3	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-35.7	176.6	-69	165.8	-29.4	0	0	112.5	H10 V16 T17 L22 D23 I24	H10-Q20 HydrophobicContact CB-CB 4.05Å; H10-Q20 HydrophobicContact CB-CG 4.32Å; V16-Q20 HydrophobicContact CB-CB 4.38Å; V16-Q20 HydrophobicContact CG1-CB 3.75Å; T17-Q20 PolarHBondContact O-N 3.02Å; T17-Q20 VanDerWaalsContact O-N 3.16Å; T17-Q20 WeakPolarHBondContact OG1-CB 3.46Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.36Å; T17-Q20 PolarHBondContact OG1-N 2.9Å; T17-Q20 PolarHBondContact OG1-OE1 3.45Å; Q20-L22 VanDerWaalsContact C-N 3.26Å; Q20-L22 PolarHBondContact O-N 3.21Å; Q20-D23 PolarHBondContact O-N 2.97Å; Q20-I24 VanDerWaalsContact O-CG1 3.31Å; Q20-I24 WeakPolarHBondContact O-CG1 3.32Å; Q20-I24 PolarHBondContact O-N 2.9Å
21	F	75.9	Confident	71	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-39.7	171.4	179.1	-95.7	0	0	0	111.2	T17 I24 W25 M85 L88 A89 L92 T94 L99 M162	T17-F21 WeakPolarHBondContact O-CB 3.35Å; T17-F21 PolarHBondContact O-N 3.26Å; F21-I24 WeakPolarHBondContact O-CB 3.16Å; F21-I24 PolarHBondContact O-N 2.76Å; F21-W25 PolarHBondContact O-N 2.87Å; F21-M85 HydrophobicContact CD1-SD 4.32Å; F21-M85 HydrophobicContact CE1-CG 4.03Å; F21-M85 HydrophobicContact CE1-SD 3.33Å; F21-M85 WeakPolarHBondContact CE1-SD 3.39Å; F21-M85 HydrophobicContact CZ-CG 4.36Å; F21-M85 HydrophobicContact CZ-SD 3.89Å; F21-L88 HydrophobicContact CE2-CB 4.14Å; F21-L88 HydrophobicContact CE2-CD2 3.79Å; F21-L88 HydrophobicContact CE2-CG 3.7Å; F21-L88 HydrophobicContact CZ-CB 4.02Å; F21-L88 HydrophobicContact CZ-CD2 3.9Å; F21-L88 HydrophobicContact CZ-CG 3.99Å; F21-A89 HydrophobicContact CE2-CB 4.25Å; F21-A89 HydrophobicContact CZ-CB 3.96Å; F21-L92 HydrophobicContact CD2-CB 4.34Å; F21-L92 HydrophobicContact CD2-CD1 3.69Å; F21-L92 HydrophobicContact CE2-CB 4.42Å; F21-L92 HydrophobicContact CE2-CD1 3.88Å; F21-T94 HydrophobicContact CB-CG2 3.8Å; F21-T94 HydrophobicContact CD2-CG2 3.14Å; F21-T94 HydrophobicContact CE2-CG2 3.83Å; F21-T94 HydrophobicContact CG-CG2 3.65Å; F21-L99 HydrophobicContact CD1-CD1 3.96Å; F21-L99 HydrophobicContact CE1-CD1 3.34Å; F21-L99 HydrophobicContact CZ-CD1 3.87Å; F21-M162 HydrophobicContact CD1-CE 3.7Å; F21-M162 HydrophobicContact CE1-CE 4.4Å
22	L	71.6	Confident	71.5	Confident	8 Å²	8	51.7 Å²	51.7	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-43.5	174.8	-174.4	49.2	0	0	0	112.6	A18 S19 Q20 I24 W25 K26 R161 M162	A18-L22 PolarHBondContact O-N 3.38Å; A18-L22 VanDerWaalsContact O-N 3.11Å; S19-L22 WeakPolarHBondContact O-CB 3.31Å; S19-L22 PolarHBondContact O-N 2.82Å; S19-L22 VanDerWaalsContact O-N 3.17Å; Q20-L22 VanDerWaalsContact C-N 3.26Å; Q20-L22 PolarHBondContact O-N 3.21Å; L22-I24 PolarHBondContact O-N 3Å; L22-W25 HydrophobicContact CD1-CB 4.42Å; L22-W25 PolarHBondContact O-N 3.26Å; L22-W25 VanDerWaalsContact O-N 3.13Å; L22-K26 HydrophobicContact CD1-CD 4.11Å; L22-K26 HydrophobicContact CD1-CG 3.91Å; L22-K26 HydrophobicContact CG-CD 4.18Å; L22-K26 HydrophobicContact CG-CG 4.37Å; L22-K26 PolarHBondContact O-N 3Å; L22-R161 HydrophobicContact CD2-CB 3.66Å; L22-M162 HydrophobicContact CB-CE 3.58Å; L22-M162 HydrophobicContact CB-CG 4.26Å; L22-M162 HydrophobicContact CD1-CB 4.06Å; L22-M162 HydrophobicContact CD1-CE 4.19Å; L22-M162 HydrophobicContact CD1-CG 3.51Å; L22-M162 HydrophobicContact CD1-SD 4.46Å; L22-M162 HydrophobicContact CD2-CB 4.45Å; L22-M162 HydrophobicContact CD2-CG 3.67Å; L22-M162 HydrophobicContact CG-CE 4.3Å; L22-M162 HydrophobicContact CG-CG 3.96Å
23	D	77.1	Confident	71.9	Confident	87 Å²	87	48 Å²	48	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-60.9	-37.8	178.1	-69.1	-23	0	0	0	110.8	S19 Q20 H27	S19-D23 PolarHBondContact O-N 3.09Å; Q20-D23 PolarHBondContact O-N 2.97Å; D23-H27 VanDerWaalsContact O-CB 3.23Å; D23-H27 WeakPolarHBondContact O-CB 3.2Å; D23-H27 PolarHBondContact O-N 3Å; D23-H27 VanDerWaalsContact O-N 3.11Å
24	I	79.1	Confident	72.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-51.5	171.2	-69.7	162.4	0	0	0	110.5	P9 H10 L11 V16 Q20 F21 L22 K26 H27 F28 F44 L88 L92	P9-I24 HydrophobicContact CB-CG1 4.15Å; P9-I24 HydrophobicContact CG-CG1 4.13Å; P9-I24 WeakPolarHBondContact O-CD1 3.34Å; P9-I24 WeakPolarHBondContact O-CG1 2.79Å; H10-I24 HydrophobicContact CB-CD1 4.12Å; L11-I24 HydrophobicContact CD2-CD1 3.93Å; L11-I24 HydrophobicContact CD2-CG1 4.23Å; L11-I24 HydrophobicContact CD2-CG2 3.9Å; L11-I24 HydrophobicContact CG-CD1 4.37Å; L11-I24 HydrophobicContact CG-CG1 4.45Å; V16-I24 HydrophobicContact CG1-CD1 3.87Å; Q20-I24 VanDerWaalsContact O-CG1 3.31Å; Q20-I24 WeakPolarHBondContact O-CG1 3.32Å; Q20-I24 PolarHBondContact O-N 2.9Å; F21-I24 WeakPolarHBondContact O-CB 3.16Å; F21-I24 PolarHBondContact O-N 2.76Å; L22-I24 PolarHBondContact O-N 3Å; I24-K26 PolarHBondContact O-N 3.37Å; I24-H27 WeakPolarHBondContact O-CB 2.93Å; I24-H27 PolarHBondContact O-N 2.92Å; I24-H27 VanDerWaalsContact O-N 3.13Å; I24-F28 HydrophobicContact CG2-CD2 3.84Å; I24-F28 HydrophobicContact CG2-CE2 3.88Å; I24-F28 WeakPolarHBondContact O-CD2 3.32Å; I24-F28 PolarHBondContact O-N 3.49Å; I24-F44 HydrophobicContact CG2-CE2 4.43Å; I24-L88 HydrophobicContact CG2-CD2 4.36Å; I24-L92 HydrophobicContact CB-CD1 4.48Å; I24-L92 HydrophobicContact CD1-CD1 3.99Å; I24-L92 HydrophobicContact CG2-CD1 3.87Å
25	W	78.4	Confident	73.8	Confident	11 Å²	11	42.8 Å²	42.8	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-54.5	-179.4	179.6	-88.9	0	0	0	111.7	F21 L22 H27 F28 D29 G34 I36 M85 L88	F21-W25 PolarHBondContact O-N 2.87Å; L22-W25 HydrophobicContact CD1-CB 4.42Å; L22-W25 PolarHBondContact O-N 3.26Å; L22-W25 VanDerWaalsContact O-N 3.13Å; W25-H27 PolarHBondContact O-N 2.96Å; W25-F28 PolarHBondContact O-N 3.38Å; W25-D29 HydrophobicContact CD2-CB 4.48Å; W25-D29 HydrophobicContact CZ2-CB 4.22Å; W25-D29 PolarHBondContact NE1-OD2 2.85Å; W25-D29 WeakPolarHBondContact O-CB 3.18Å; W25-D29 PolarHBondContact O-N 2.76Å; W25-G34 VanDerWaalsContact CZ2-C 3.43Å; W25-G34 WeakPolarHBondContact CZ2-O 3.47Å; W25-I36 HydrophobicContact CE3-CD1 3.83Å; W25-I36 HydrophobicContact CE3-CG1 4.33Å; W25-I36 HydrophobicContact CH2-CD1 4.4Å; W25-I36 HydrophobicContact CH2-CG1 4.13Å; W25-I36 HydrophobicContact CZ3-CD1 3.7Å; W25-I36 HydrophobicContact CZ3-CG1 3.93Å; W25-M85 HydrophobicContact CB-CE 4.22Å; W25-M85 HydrophobicContact CB-SD 4.05Å; W25-M85 VanDerWaalsContact CD1-CE 3.46Å; W25-M85 HydrophobicContact CD2-CE 3.26Å; W25-M85 HydrophobicContact CD2-SD 3.27Å; W25-M85 HydrophobicContact CE3-CB 4.26Å; W25-M85 HydrophobicContact CE3-CE 3.91Å; W25-M85 HydrophobicContact CE3-CG 4.4Å; W25-M85 HydrophobicContact CE3-SD 3.29Å; W25-M85 HydrophobicContact CG-CE 3.35Å; W25-M85 HydrophobicContact CG-SD 3.6Å; W25-M85 VanDerWaalsContact CG-SD 3.6Å; W25-M85 HydrophobicContact CH2-CB 4.01Å; W25-M85 HydrophobicContact CZ2-CB 4.37Å; W25-M85 HydrophobicContact CZ2-CE 4.01Å; W25-M85 HydrophobicContact CZ2-SD 4.46Å; W25-M85 HydrophobicContact CZ3-CB 3.95Å; W25-M85 HydrophobicContact CZ3-SD 3.98Å; W25-L88 HydrophobicContact CE3-CB 4.27Å; W25-L88 HydrophobicContact CE3-CD2 3.53Å; W25-L88 HydrophobicContact CZ3-CB 4.14Å; W25-L88 HydrophobicContact CZ3-CD2 4.16Å
26	K	76.7	Confident	74.8	Confident	115 Å²	115	37.2 Å²	37.2	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-23	179.7	-74	-174.9	178.8	-171.5	0	113.5	L22 I24 R161	L22-K26 HydrophobicContact CD1-CD 4.11Å; L22-K26 HydrophobicContact CD1-CG 3.91Å; L22-K26 HydrophobicContact CG-CD 4.18Å; L22-K26 HydrophobicContact CG-CG 4.37Å; L22-K26 PolarHBondContact O-N 3Å; I24-K26 PolarHBondContact O-N 3.37Å; K26-R161 VanDerWaalsContact CE-O 3.3Å; K26-R161 WeakPolarHBondContact CE-O 3.34Å; K26-R161 PolarHBondContact NZ-O 3.23Å
27	H	82.9	Confident	75.5	Confident	71 Å²	71	39.7 Å²	39.7	33%	0.329	22%	0.219	S	C	.	.	H	α-helix	trans	-73	-33.5	175.3	-171	74.3	0	0	0	112.2	P9 D23 I24 W25	P9-H27 HydrophobicContact CG-CB 4Å; D23-H27 VanDerWaalsContact O-CB 3.23Å; D23-H27 WeakPolarHBondContact O-CB 3.2Å; D23-H27 PolarHBondContact O-N 3Å; D23-H27 VanDerWaalsContact O-N 3.11Å; I24-H27 WeakPolarHBondContact O-CB 2.93Å; I24-H27 PolarHBondContact O-N 2.92Å; I24-H27 VanDerWaalsContact O-N 3.13Å; W25-H27 PolarHBondContact O-N 2.96Å
28	F	82.2	Confident	76.2	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-99.5	-35.6	-175.9	-66.7	-67.5	0	0	0	113.7	L11 I24 W25 V30 I36 E40 N43 F44 E47	L11-F28 HydrophobicContact CD1-CE2 3.99Å; L11-F28 HydrophobicContact CD1-CZ 3.95Å; I24-F28 HydrophobicContact CG2-CD2 3.84Å; I24-F28 HydrophobicContact CG2-CE2 3.88Å; I24-F28 WeakPolarHBondContact O-CD2 3.32Å; I24-F28 PolarHBondContact O-N 3.49Å; W25-F28 PolarHBondContact O-N 3.38Å; F28-V30 VanDerWaalsContact C-N 3.27Å; F28-V30 PolarHBondContact O-N 2.84Å; F28-I36 HydrophobicContact CB-CD1 3.91Å; F28-I36 HydrophobicContact CB-CG1 4.15Å; F28-I36 HydrophobicContact CB-CG2 4.43Å; F28-E40 WeakPolarHBondContact O-CB 3.07Å; F28-E40 WeakPolarHBondContact O-CG 3.48Å; F28-N43 HydrophobicContact CD1-CB 4.42Å; F28-N43 HydrophobicContact CE1-CB 4.43Å; F28-F44 HydrophobicContact CB-CB 4.4Å; F28-F44 HydrophobicContact CD1-CB 3.7Å; F28-F44 HydrophobicContact CD1-CD2 4.35Å; F28-F44 HydrophobicContact CD2-CB 4.36Å; F28-F44 AromaticContact CD2-CD2 3.55Å; F28-F44 HydrophobicContact CD2-CD2 3.55Å; F28-F44 HydrophobicContact CD2-CE2 4.37Å; F28-F44 HydrophobicContact CD2-CG 4.41Å; F28-F44 VanDerWaalsContact CE1-CA 3.41Å; F28-F44 HydrophobicContact CE1-CB 4.05Å; F28-F44 HydrophobicContact CE1-CD2 4.43Å; F28-F44 AromaticContact CE2-CD2 3.66Å; F28-F44 HydrophobicContact CE2-CD2 3.66Å; F28-F44 HydrophobicContact CE2-CE2 4.37Å; F28-F44 HydrophobicContact CG-CB 3.88Å; F28-F44 AromaticContact CG-CD2 3.94Å; F28-F44 HydrophobicContact CG-CD2 3.94Å; F28-F44 HydrophobicContact CG-CG 4.37Å; F28-F44 HydrophobicContact CZ-CD2 4.11Å; F28-E47 HydrophobicContact CE1-CB 4.38Å; F28-E47 HydrophobicContact CE1-CG 4.44Å; F28-E47 HydrophobicContact CZ-CB 3.99Å; F28-E47 HydrophobicContact CZ-CG 4.38Å
29	D	81.6	Confident	76.9	Confident	15 Å²	15	48 Å²	48	8%	0.08	26%	0.264	C	S	.	.			trans	-79.3	75.2	170.1	-179	15.1	0	0	0	108.9	W25 G32 N33 G34	W25-D29 HydrophobicContact CD2-CB 4.48Å; W25-D29 HydrophobicContact CZ2-CB 4.22Å; W25-D29 PolarHBondContact NE1-OD2 2.85Å; W25-D29 WeakPolarHBondContact O-CB 3.18Å; W25-D29 PolarHBondContact O-N 2.76Å; D29-G32 WeakPolarHBondContact OD1-CA 3.31Å; D29-G32 PolarHBondContact OD1-N 3.03Å; D29-N33 PolarHBondContact OD1-N 2.98Å; D29-G34 PolarHBondContact OD1-N 2.79Å; D29-G34 WeakPolarHBondContact OD2-CA 3.08Å; D29-G34 PolarHBondContact OD2-N 3.4Å
30	V	77.4	Confident	77.8	Confident	114 Å²	114	47 Å²	47	69%	0.691	25%	0.254	S	S	*	.	S	Bend	trans	-74.7	-33.8	-172	176.9	0	0	0	0	110.7	F28 E40	F28-V30 VanDerWaalsContact C-N 3.27Å; F28-V30 PolarHBondContact O-N 2.84Å; V30-E40 PolarHBondContact N-OE1 3.35Å
31	D	73.1	Confident	78.2	Confident	101 Å²	101	45.6 Å²	45.6	54%	0.54	25%	0.248	S	C	.	.	S	Bend	trans	-86.2	-7.2	178.3	72.7	6.4	0	0	0	113.5	N33 E40	D31-N33 PolarHBondContact O-N 3.43Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 2.73Å; D31-N33 PolarHBondContact OD1-ND2 2.85Å; D31-N33 PolarHBondContact OD1-OD1 3.07Å; D31-N33 PolarHBondContact OD2-ND2 2.82Å; D31-E40 PolarHBondContact N-OE1 3.35Å
32	G	70.1	Confident	78.5	Confident	33 Å²	33	49.1 Å²	49.1	34%	0.34	27%	0.265	S	S	.	.			trans	67.6	17.6	177.4	0	0	0	0	0	113.1	D29 G34 R178	D29-G32 WeakPolarHBondContact OD1-CA 3.31Å; D29-G32 PolarHBondContact OD1-N 3.03Å; G32-G34 PolarHBondContact O-N 2.79Å; G32-R178 PolarHBondContact O-NH1 3.08Å
33	N	67.6	Low	79	Confident	38 Å²	38	51.8 Å²	51.8	20%	0.203	28%	0.279	C	S	.	.	S	Bend	trans	-71.2	-12.6	-176.8	75.4	25.8	0	0	0	111.7	D29 D31 Y35 E37	D29-N33 PolarHBondContact OD1-N 2.98Å; D31-N33 PolarHBondContact O-N 3.43Å; D31-N33 WeakPolarHBondContact OD1-CB 3.44Å; D31-N33 PolarHBondContact OD1-N 2.73Å; D31-N33 PolarHBondContact OD1-ND2 2.85Å; D31-N33 PolarHBondContact OD1-OD1 3.07Å; D31-N33 PolarHBondContact OD2-ND2 2.82Å; N33-Y35 WeakPolarHBondContact O-CD2 3.32Å; N33-Y35 VanDerWaalsContact OD1-CA 3.3Å; N33-Y35 WeakPolarHBondContact OD1-CA 3.31Å; N33-Y35 VanDerWaalsContact OD1-CB 3.23Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.07Å; N33-Y35 PolarHBondContact OD1-N 3.43Å; N33-Y35 PolarHBondContact OD1-O 3.18Å; N33-E37 PolarHBondContact ND2-OE1 3.37Å
34	G	70.9	Confident	79.4	Confident	14 Å²	14	47.6 Å²	47.6	14%	0.144	26%	0.257	C	S	.	.	S	Bend	trans	89.2	14.3	-179.6	0	0	0	0	0	113.9	W25 D29 G32	W25-G34 VanDerWaalsContact CZ2-C 3.43Å; W25-G34 WeakPolarHBondContact CZ2-O 3.47Å; D29-G34 PolarHBondContact OD1-N 2.79Å; D29-G34 WeakPolarHBondContact OD2-CA 3.08Å; D29-G34 PolarHBondContact OD2-N 3.4Å; G32-G34 PolarHBondContact O-N 2.79Å
35	Y	78.5	Confident	79.5	Confident	38 Å²	38	48 Å²	48	15%	0.149	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	138.9	-179.7	-57.5	-86	0	0	0	109.9	N33 E37 R82 E84 V182 L188	N33-Y35 WeakPolarHBondContact O-CD2 3.32Å; N33-Y35 VanDerWaalsContact OD1-CA 3.3Å; N33-Y35 WeakPolarHBondContact OD1-CA 3.31Å; N33-Y35 VanDerWaalsContact OD1-CB 3.23Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.07Å; N33-Y35 PolarHBondContact OD1-N 3.43Å; N33-Y35 PolarHBondContact OD1-O 3.18Å; Y35-E37 PolarHBondContact O-N 3.49Å; Y35-R82 HydrophobicContact CD1-CB 4.07Å; Y35-E84 HydrophobicContact CD1-CG 4.1Å; Y35-E84 HydrophobicContact CE1-CG 4.01Å; Y35-V182 HydrophobicContact CE1-CG2 4.47Å; Y35-L188 VanDerWaalsContact OH-CD1 3.27Å; Y35-L188 WeakPolarHBondContact OH-CD1 3.43Å
36	I	82.4	Confident	79.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	104.2	169.1	-62.7	170.9	0	0	0	107	W25 F28 E40 L41 F44 I83 L88	W25-I36 HydrophobicContact CE3-CD1 3.83Å; W25-I36 HydrophobicContact CE3-CG1 4.33Å; W25-I36 HydrophobicContact CH2-CD1 4.4Å; W25-I36 HydrophobicContact CH2-CG1 4.13Å; W25-I36 HydrophobicContact CZ3-CD1 3.7Å; W25-I36 HydrophobicContact CZ3-CG1 3.93Å; F28-I36 HydrophobicContact CB-CD1 3.91Å; F28-I36 HydrophobicContact CB-CG1 4.15Å; F28-I36 HydrophobicContact CB-CG2 4.43Å; I36-E40 HydrophobicContact CG2-CB 3.96Å; I36-L41 HydrophobicContact CG2-CB 4.18Å; I36-L41 HydrophobicContact CG2-CD1 4.43Å; I36-F44 HydrophobicContact CG2-CB 4.12Å; I36-I83 HydrophobicContact CB-CB 4.14Å; I36-I83 PolarHBondContact N-O 3.38Å; I36-I83 PolarHBondContact O-N 3.14Å; I36-L88 HydrophobicContact CD1-CD1 4.48Å; I36-L88 HydrophobicContact CD1-CD2 4.11Å
37	E	83.3	Confident	79.7	Confident	53 Å²	53	47.6 Å²	47.6	25%	0.248	26%	0.256	C	S	.	.			trans	-133.6	160.2	-175	71.3	172.6	151.1	0	0	114.8	N33 Y35 K39 E40 R82	N33-E37 PolarHBondContact ND2-OE1 3.37Å; Y35-E37 PolarHBondContact O-N 3.49Å; E37-K39 PolarHBondContact O-N 2.8Å; E37-E40 PolarHBondContact N-OE2 2.92Å; E37-E40 WeakPolarHBondContact O-CB 3.13Å; E37-E40 PolarHBondContact O-N 2.9Å; E37-R82 HydrophobicContact CB-CB 4.33Å; E37-R82 HydrophobicContact CB-CG 3.94Å; E37-R82 VanDerWaalsContact CD-NH2 3.27Å; E37-R82 IonicContact OE1-CZ 2.9Å; E37-R82 IonicContact OE1-NE 4Å; E37-R82 IonicContact OE1-NH2 2.96Å; E37-R82 PolarHBondContact OE1-NH2 3.03Å; E37-R82 IonicContact OE2-CZ 2.75Å; E37-R82 IonicContact OE2-NE 2.69Å; E37-R82 PolarHBondContact OE2-NE 3.35Å; E37-R82 IonicContact OE2-NH2 3.3Å; E37-R82 PolarHBondContact OE2-NH2 2.87Å
38	G	82.5	Confident	79.5	Confident	50 Å²	50	44.4 Å²	44.4	52%	0.515	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-112.5	176.2	0	0	0	0	0	113.7	E40 E42	G38-E40 VanDerWaalsContact C-N 3.34Å; G38-E42 PolarHBondContact O-N 2.55Å
39	K	80.9	Confident	79.1	Confident	171 Å²	171	45.2 Å²	45.2	74%	0.743	25%	0.245	S	C	*	.	H	α-helix	trans	-71.4	-28.6	-178.9	-69.2	-177	-179.4	176.2	0	112.9	E37 E42 N43	E37-K39 PolarHBondContact O-N 2.8Å; K39-E42 PolarHBondContact O-N 2.96Å; K39-N43 WeakPolarHBondContact O-CB 3.41Å; K39-N43 VanDerWaalsContact O-CG 3.24Å; K39-N43 PolarHBondContact O-N 3.26Å; K39-N43 PolarHBondContact O-ND2 3.39Å
40	E	86.4	Confident	78.8	Confident	22 Å²	22	46.8 Å²	46.8	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-43.9	177.8	-62.9	174.2	147.3	0	0	110	F28 V30 D31 I36 E37 G38 N43 F44	F28-E40 WeakPolarHBondContact O-CB 3.07Å; F28-E40 WeakPolarHBondContact O-CG 3.48Å; V30-E40 PolarHBondContact N-OE1 3.35Å; D31-E40 PolarHBondContact N-OE1 3.35Å; I36-E40 HydrophobicContact CG2-CB 3.96Å; E37-E40 PolarHBondContact N-OE2 2.92Å; E37-E40 WeakPolarHBondContact O-CB 3.13Å; E37-E40 PolarHBondContact O-N 2.9Å; G38-E40 VanDerWaalsContact C-N 3.34Å; E40-N43 PolarHBondContact O-N 3.06Å; E40-F44 WeakPolarHBondContact O-CB 3.03Å; E40-F44 PolarHBondContact O-N 3.3Å
41	L	84.3	Confident	78.5	Confident	11 Å²	11	42.1 Å²	42.1	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-44.4	174.4	-178.9	62.6	0	0	0	112.2	I36 N43 F44 F45 M72 I83	I36-L41 HydrophobicContact CG2-CB 4.18Å; I36-L41 HydrophobicContact CG2-CD1 4.43Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 2.81Å; L41-F44 PolarHBondContact O-N 2.96Å; L41-F45 VanDerWaalsContact O-CB 3.31Å; L41-F45 WeakPolarHBondContact O-CB 3.26Å; L41-F45 PolarHBondContact O-N 3.39Å; L41-M72 HydrophobicContact CD1-SD 3.98Å; L41-M72 HydrophobicContact CD2-CE 3.94Å; L41-M72 HydrophobicContact CD2-CG 4.19Å; L41-M72 HydrophobicContact CD2-SD 3.59Å; L41-M72 VanDerWaalsContact CD2-SD 3.59Å; L41-M72 HydrophobicContact CG-SD 4.39Å; L41-I83 HydrophobicContact CD1-CB 4.4Å; L41-I83 HydrophobicContact CD1-CG1 3.53Å
42	E	81.4	Confident	78.3	Confident	75 Å²	75	44 Å²	44	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-61.1	-40.1	175.9	-74.4	-175.1	170.6	0	0	111.8	G38 K39 R46 M68	G38-E42 PolarHBondContact O-N 2.55Å; K39-E42 PolarHBondContact O-N 2.96Å; E42-R46 VanDerWaalsContact O-CB 3.28Å; E42-R46 WeakPolarHBondContact O-CB 3.47Å; E42-R46 PolarHBondContact O-N 3.27Å; E42-R46 VanDerWaalsContact O-N 3.11Å; E42-M68 HydrophobicContact CG-CE 4.17Å; E42-M68 HydrophobicContact CG-SD 4.04Å
43	N	82.9	Confident	78	Confident	64 Å²	64	50.9 Å²	50.9	34%	0.342	24%	0.244	S	C	.	.	H	α-helix	trans	-66.9	-48.8	176	-74.1	-22.2	0	0	0	111.8	F28 K39 E40 L41 F45 R46 E47	F28-N43 HydrophobicContact CD1-CB 4.42Å; F28-N43 HydrophobicContact CE1-CB 4.43Å; K39-N43 WeakPolarHBondContact O-CB 3.41Å; K39-N43 VanDerWaalsContact O-CG 3.24Å; K39-N43 PolarHBondContact O-N 3.26Å; K39-N43 PolarHBondContact O-ND2 3.39Å; E40-N43 PolarHBondContact O-N 3.06Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 2.81Å; N43-F45 PolarHBondContact O-N 3.03Å; N43-R46 PolarHBondContact O-N 2.95Å; N43-R46 VanDerWaalsContact OD1-CZ 3.26Å; N43-R46 PolarHBondContact OD1-NH1 3.47Å; N43-R46 PolarHBondContact OD1-NH2 2.81Å; N43-E47 WeakPolarHBondContact O-CG 3.33Å; N43-E47 PolarHBondContact O-N 3.13Å
44	F	84.5	Confident	77.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-50.8	177.3	172.3	-107.5	0	0	0	111.5	L11 I24 F28 I36 E40 L41 R46 E47 L48 F71 L88 I91	L11-F44 HydrophobicContact CD2-CE2 4.06Å; I24-F44 HydrophobicContact CG2-CE2 4.43Å; F28-F44 HydrophobicContact CB-CB 4.4Å; F28-F44 HydrophobicContact CD1-CB 3.7Å; F28-F44 HydrophobicContact CD1-CD2 4.35Å; F28-F44 HydrophobicContact CD2-CB 4.36Å; F28-F44 AromaticContact CD2-CD2 3.55Å; F28-F44 HydrophobicContact CD2-CD2 3.55Å; F28-F44 HydrophobicContact CD2-CE2 4.37Å; F28-F44 HydrophobicContact CD2-CG 4.41Å; F28-F44 VanDerWaalsContact CE1-CA 3.41Å; F28-F44 HydrophobicContact CE1-CB 4.05Å; F28-F44 HydrophobicContact CE1-CD2 4.43Å; F28-F44 AromaticContact CE2-CD2 3.66Å; F28-F44 HydrophobicContact CE2-CD2 3.66Å; F28-F44 HydrophobicContact CE2-CE2 4.37Å; F28-F44 HydrophobicContact CG-CB 3.88Å; F28-F44 AromaticContact CG-CD2 3.94Å; F28-F44 HydrophobicContact CG-CD2 3.94Å; F28-F44 HydrophobicContact CG-CG 4.37Å; F28-F44 HydrophobicContact CZ-CD2 4.11Å; I36-F44 HydrophobicContact CG2-CB 4.12Å; E40-F44 WeakPolarHBondContact O-CB 3.03Å; E40-F44 PolarHBondContact O-N 3.3Å; L41-F44 PolarHBondContact O-N 2.96Å; F44-R46 VanDerWaalsContact C-N 3.35Å; F44-R46 PolarHBondContact O-N 3.45Å; F44-E47 PolarHBondContact O-N 3.23Å; F44-L48 HydrophobicContact CE1-CD2 4.01Å; F44-L48 HydrophobicContact CZ-CB 4.47Å; F44-L48 HydrophobicContact CZ-CD1 4.46Å; F44-L48 HydrophobicContact CZ-CD2 3.96Å; F44-L48 VanDerWaalsContact O-CB 3.27Å; F44-L48 WeakPolarHBondContact O-CB 3.31Å; F44-L48 PolarHBondContact O-N 3.11Å; F44-F71 HydrophobicContact CE1-CE1 4.4Å; F44-F71 HydrophobicContact CE1-CZ 4.11Å; F44-L88 HydrophobicContact CD2-CD1 4.39Å; F44-L88 HydrophobicContact CE1-CD1 3.79Å; F44-L88 HydrophobicContact CE2-CD1 3.5Å; F44-L88 HydrophobicContact CZ-CD1 3.14Å; F44-I91 HydrophobicContact CE1-CG2 4.2Å; F44-I91 HydrophobicContact CZ-CG2 3.94Å
45	F	80.9	Confident	76.6	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.039	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-39.6	-178	-169.9	-102.9	0	0	0	111.8	L41 N43 L48 E49 F64 R67 M68 F71	L41-F45 VanDerWaalsContact O-CB 3.31Å; L41-F45 WeakPolarHBondContact O-CB 3.26Å; L41-F45 PolarHBondContact O-N 3.39Å; N43-F45 PolarHBondContact O-N 3.03Å; F45-L48 PolarHBondContact O-N 3.3Å; F45-E49 HydrophobicContact CD1-CG 4.37Å; F45-E49 HydrophobicContact CE1-CG 3.83Å; F45-E49 WeakPolarHBondContact CE1-OE2 3.08Å; F45-E49 HydrophobicContact CE2-CG 4.41Å; F45-E49 HydrophobicContact CZ-CG 3.85Å; F45-E49 WeakPolarHBondContact O-CB 3.29Å; F45-E49 PolarHBondContact O-N 3.46Å; F45-F64 HydrophobicContact CD1-CD2 4.06Å; F45-F64 HydrophobicContact CD1-CE1 4.44Å; F45-F64 AromaticContact CD1-CE2 3.43Å; F45-F64 HydrophobicContact CD1-CE2 3.43Å; F45-F64 VanDerWaalsContact CD1-CE2 3.43Å; F45-F64 AromaticContact CD1-CZ 3.66Å; F45-F64 HydrophobicContact CD1-CZ 3.66Å; F45-F64 HydrophobicContact CE1-CD2 4.09Å; F45-F64 AromaticContact CE1-CE2 3.91Å; F45-F64 HydrophobicContact CE1-CE2 3.91Å; F45-F64 HydrophobicContact CE1-CZ 4.46Å; F45-R67 HydrophobicContact CE1-CB 4.13Å; F45-R67 HydrophobicContact CZ-CB 3.9Å; F45-M68 HydrophobicContact CB-CG 4.48Å; F45-M68 HydrophobicContact CD1-CB 3.93Å; F45-M68 HydrophobicContact CD1-CG 4.14Å; F45-M68 HydrophobicContact CE1-CB 3.97Å; F45-M68 HydrophobicContact CG-CB 4.38Å; F45-M68 HydrophobicContact CG-CG 4.15Å; F45-M68 HydrophobicContact CZ-CB 4.45Å; F45-F71 HydrophobicContact CD2-CB 4.18Å; F45-F71 AromaticContact CD2-CD1 3.94Å; F45-F71 HydrophobicContact CD2-CD1 3.94Å; F45-F71 HydrophobicContact CD2-CD2 4.13Å; F45-F71 HydrophobicContact CD2-CE1 4.31Å; F45-F71 HydrophobicContact CD2-CE2 4.48Å; F45-F71 AromaticContact CD2-CG 3.82Å; F45-F71 HydrophobicContact CD2-CG 3.82Å; F45-F71 HydrophobicContact CE2-CB 3.51Å; F45-F71 HydrophobicContact CE2-CD1 4.09Å; F45-F71 AromaticContact CE2-CD2 3.66Å; F45-F71 HydrophobicContact CE2-CD2 3.66Å; F45-F71 HydrophobicContact CE2-CE2 4.35Å; F45-F71 AromaticContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CE2-CG 3.49Å; F45-F71 VanDerWaalsContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CZ-CB 4.22Å
46	R	78.8	Confident	75.3	Confident	75 Å²	75	57 Å²	57	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-46.5	174.6	-178.8	-173.3	64.7	-117	-3.3	111.7	E42 N43 F44 T50 F64	E42-R46 VanDerWaalsContact O-CB 3.28Å; E42-R46 WeakPolarHBondContact O-CB 3.47Å; E42-R46 PolarHBondContact O-N 3.27Å; E42-R46 VanDerWaalsContact O-N 3.11Å; N43-R46 PolarHBondContact O-N 2.95Å; N43-R46 VanDerWaalsContact OD1-CZ 3.26Å; N43-R46 PolarHBondContact OD1-NH1 3.47Å; N43-R46 PolarHBondContact OD1-NH2 2.81Å; F44-R46 VanDerWaalsContact C-N 3.35Å; F44-R46 PolarHBondContact O-N 3.45Å; R46-T50 VanDerWaalsContact O-CB 3.32Å; R46-T50 WeakPolarHBondContact O-CB 3.2Å; R46-T50 PolarHBondContact O-N 3.31Å; R46-T50 PolarHBondContact O-OG1 2.73Å; R46-F64 HydrophobicContact CB-CE2 4.21Å; R46-F64 HydrophobicContact CB-CZ 4.08Å
47	E	80.6	Confident	74	Confident	41 Å²	41	58.5 Å²	58.5	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-70.3	-38.3	-179.5	-72.2	-172.5	-142.2	0	0	112	L11 F28 N43 F44 T50 A51	L11-E47 HydrophobicContact CD1-CB 3.78Å; F28-E47 HydrophobicContact CE1-CB 4.38Å; F28-E47 HydrophobicContact CE1-CG 4.44Å; F28-E47 HydrophobicContact CZ-CB 3.99Å; F28-E47 HydrophobicContact CZ-CG 4.38Å; N43-E47 WeakPolarHBondContact O-CG 3.33Å; N43-E47 PolarHBondContact O-N 3.13Å; F44-E47 PolarHBondContact O-N 3.23Å; E47-T50 PolarHBondContact O-N 3.16Å; E47-A51 WeakPolarHBondContact O-CB 3.19Å; E47-A51 PolarHBondContact O-N 3.25Å
48	L	78.4	Confident	72.8	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-45.8	174.2	-174.6	71	0	0	0	112.1	L11 F44 F45 A51 R52 F71 I91 L92	L11-L48 HydrophobicContact CD2-CD1 4.19Å; F44-L48 HydrophobicContact CE1-CD2 4.01Å; F44-L48 HydrophobicContact CZ-CB 4.47Å; F44-L48 HydrophobicContact CZ-CD1 4.46Å; F44-L48 HydrophobicContact CZ-CD2 3.96Å; F44-L48 VanDerWaalsContact O-CB 3.27Å; F44-L48 WeakPolarHBondContact O-CB 3.31Å; F44-L48 PolarHBondContact O-N 3.11Å; F45-L48 PolarHBondContact O-N 3.3Å; L48-A51 PolarHBondContact O-N 3.02Å; L48-R52 PolarHBondContact O-N 2.8Å; L48-F71 HydrophobicContact CD2-CE2 3.85Å; L48-F71 HydrophobicContact CD2-CZ 4.01Å; L48-I91 HydrophobicContact CD2-CG2 3.81Å; L48-L92 HydrophobicContact CD1-CD2 3.96Å
49	E	74.4	Confident	71.6	Confident	20 Å²	20	60.5 Å²	60.5	9%	0.093	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-42.3	176.1	-83.1	-151.9	112.6	0	0	111.2	F45 A51 R52 R53 V57 F64 R67	F45-E49 HydrophobicContact CD1-CG 4.37Å; F45-E49 HydrophobicContact CE1-CG 3.83Å; F45-E49 WeakPolarHBondContact CE1-OE2 3.08Å; F45-E49 HydrophobicContact CE2-CG 4.41Å; F45-E49 HydrophobicContact CZ-CG 3.85Å; F45-E49 WeakPolarHBondContact O-CB 3.29Å; F45-E49 PolarHBondContact O-N 3.46Å; E49-A51 PolarHBondContact O-N 2.79Å; E49-R52 PolarHBondContact O-N 2.9Å; E49-R53 WeakPolarHBondContact O-CB 3.42Å; E49-R53 PolarHBondContact O-N 2.93Å; E49-V57 HydrophobicContact CB-CG1 4.31Å; E49-V57 HydrophobicContact CB-CG2 3.61Å; E49-V57 WeakPolarHBondContact OE2-CG1 3.49Å; E49-F64 WeakPolarHBondContact OE2-CD2 3.45Å; E49-R67 VanDerWaalsContact OE1-CD 3.29Å; E49-R67 WeakPolarHBondContact OE1-CD 3.4Å; E49-R67 IonicContact OE1-CZ 3.85Å; E49-R67 IonicContact OE1-NE 3.7Å; E49-R67 IonicContact OE1-NH1 3.94Å; E49-R67 PolarHBondContact OE1-NH1 2.98Å
50	T	74.5	Confident	70.6	Confident	49 Å²	49	58 Å²	58	30%	0.301	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-37.6	174.9	-57.2	0	0	0	0	110.6	R46 E47 G54	R46-T50 VanDerWaalsContact O-CB 3.32Å; R46-T50 WeakPolarHBondContact O-CB 3.2Å; R46-T50 PolarHBondContact O-N 3.31Å; R46-T50 PolarHBondContact O-OG1 2.73Å; E47-T50 PolarHBondContact O-N 3.16Å; T50-G54 CarbonylContact O-C 3.55Å; T50-G54 VanDerWaalsContact O-CA 3.25Å; T50-G54 WeakPolarHBondContact O-CA 3.31Å; T50-G54 PolarHBondContact O-N 2.83Å
51	A	71.9	Confident	69.6	Low	16 Å²	16	60.1 Å²	60.1	13%	0.132	34%	0.341	C	S	.	.	H	α-helix	trans	-71.5	-40.7	-179.4	0	0	0	0	0	114	L11 H12 E47 L48 E49	L11-A51 HydrophobicContact CB-CB 3.78Å; H12-A51 WeakPolarHBondContact CE1-CA 3.49Å; H12-A51 VanDerWaalsContact ND1-CA 3.33Å; H12-A51 WeakPolarHBondContact ND1-CA 3.46Å; H12-A51 PolarHBondContact ND1-O 3.18Å; H12-A51 VanDerWaalsContact ND1-O 3.09Å; E47-A51 WeakPolarHBondContact O-CB 3.19Å; E47-A51 PolarHBondContact O-N 3.25Å; L48-A51 PolarHBondContact O-N 3.02Å; E49-A51 PolarHBondContact O-N 2.79Å
52	R	67.9	Low	68.7	Low	141 Å²	141	64 Å²	64	53%	0.532	37%	0.367	S	S	.	.	H	α-helix	trans	-84.6	-30.3	-178.2	-73.4	-174.2	172.9	175	2.3	114.4	L48 E49 I91	L48-R52 PolarHBondContact O-N 2.8Å; E49-R52 PolarHBondContact O-N 2.9Å; R52-I91 PolarHBondContact NH2-O 3.23Å
53	R	64.9	Low	68.2	Low	177 Å²	177	63.1 Å²	63.1	67%	0.668	37%	0.367	S	S	*	.	H	α-helix	trans	-119.2	-7	-172.3	-73.7	-178.6	143.7	-168.3	-6.9	114.7	E49	E49-R53 WeakPolarHBondContact O-CB 3.42Å; E49-R53 PolarHBondContact O-N 2.93Å
54	G	61.7	Low	67.6	Low	37 Å²	37	60.4 Å²	60.4	38%	0.381	35%	0.352	S	S	.	.			trans	87.3	178.3	-177.2	0	0	0	0	0	113.8	T50 G56	T50-G54 CarbonylContact O-C 3.55Å; T50-G54 VanDerWaalsContact O-CA 3.25Å; T50-G54 WeakPolarHBondContact O-CA 3.31Å; T50-G54 PolarHBondContact O-N 2.83Å; G54-G56 PolarHBondContact O-N 3.28Å
55	A	47.1	Very low	67	Low	105 Å²	105	67.9 Å²	67.9	87%	0.868	38%	0.38	S	S	*	.	S	Bend	trans	-70	109	-174.2	0	0	0	0	0	112.2
56	G	51.8	Low	66.9	Low	76 Å²	76	73.3 Å²	73.3	78%	0.784	41%	0.406	S	S	*	.			trans	175.6	16.1	175.3	0	0	0	0	0	115.4	G54 D58	G54-G56 PolarHBondContact O-N 3.28Å; G56-D58 PolarHBondContact O-N 3.15Å
57	V	55.8	Low	66.7	Low	32 Å²	32	74.3 Å²	74.3	19%	0.194	41%	0.41	C	S	.	.			trans	-92.1	101.9	-176.9	-170.3	0	0	0	0	108.5	E49 P59 F64	E49-V57 HydrophobicContact CB-CG1 4.31Å; E49-V57 HydrophobicContact CB-CG2 3.61Å; E49-V57 WeakPolarHBondContact OE2-CG1 3.49Å; V57-P59 WeakPolarHBondContact O-CD 3.39Å; V57-F64 HydrophobicContact CG1-CD2 3.31Å; V57-F64 HydrophobicContact CG1-CE2 3.48Å; V57-F64 VanDerWaalsContact CG1-CE2 3.48Å; V57-F64 HydrophobicContact CG1-CG 4.45Å
58	D	57.6	Low	66.5	Low	81 Å²	81	73.7 Å²	73.7	43%	0.433	41%	0.407	S	S	.	.			trans	-86.3	112.1	172.3	-173	-18.8	0	0	0	109.2	G56 T60 N61	G56-D58 PolarHBondContact O-N 3.15Å; D58-T60 VanDerWaalsContact CG-OG1 3.22Å; D58-T60 PolarHBondContact O-N 2.83Å; D58-T60 VanDerWaalsContact O-N 3.13Å; D58-T60 WeakPolarHBondContact OD1-CB 3.46Å; D58-T60 PolarHBondContact OD1-N 3.07Å; D58-T60 PolarHBondContact OD1-OG1 2.91Å; D58-T60 PolarHBondContact OD2-OG1 2.84Å; D58-N61 HydrophobicContact CB-CB 4.22Å; D58-N61 VanDerWaalsContact O-CB 3.23Å; D58-N61 WeakPolarHBondContact O-CB 3.31Å; D58-N61 PolarHBondContact O-N 3.05Å
59	P	56.8	Low	66.5	Low	64 Å²	64	80.7 Å²	80.7	42%	0.416	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.3	-179.9	25.8	-32.7	0	0	0	113.3	V57 F64	V57-P59 WeakPolarHBondContact O-CD 3.39Å; P59-F64 HydrophobicContact CB-CD1 4.5Å; P59-F64 HydrophobicContact CB-CE1 4.36Å
60	T	60.3	Low	66.7	Low	118 Å²	118	86.1 Å²	86.1	72%	0.724	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6.7	174	68.9	0	0	0	0	113.5	D58	D58-T60 VanDerWaalsContact CG-OG1 3.22Å; D58-T60 PolarHBondContact O-N 2.83Å; D58-T60 VanDerWaalsContact O-N 3.13Å; D58-T60 WeakPolarHBondContact OD1-CB 3.46Å; D58-T60 PolarHBondContact OD1-N 3.07Å; D58-T60 PolarHBondContact OD1-OG1 2.91Å; D58-T60 PolarHBondContact OD2-OG1 2.84Å
61	N	65.8	Low	67	Low	66 Å²	66	84.8 Å²	84.8	35%	0.353	45%	0.453	S	S	.	.	S	Bend	trans	-75.5	131	-178.8	-166	-37.7	0	0	0	111	D58 T63 F64	D58-N61 HydrophobicContact CB-CB 4.22Å; D58-N61 VanDerWaalsContact O-CB 3.23Å; D58-N61 WeakPolarHBondContact O-CB 3.31Å; D58-N61 PolarHBondContact O-N 3.05Å; N61-T63 PolarHBondContact ND2-OG1 3.48Å; N61-T63 PolarHBondContact O-N 3.1Å; N61-T63 VanDerWaalsContact O-N 3.13Å; N61-T63 PolarHBondContact OD1-N 3Å; N61-T63 PolarHBondContact OD1-OG1 2.83Å; N61-F64 VanDerWaalsContact O-CB 3.28Å; N61-F64 WeakPolarHBondContact O-CB 3.26Å; N61-F64 PolarHBondContact O-N 3.07Å
62	P	65.1	Low	67.3	Low	92 Å²	92	85 Å²	85	60%	0.597	45%	0.452	S	S	*	.	H	α-helix	trans	-55.2	-30.9	174.7	18.7	-30.7	0	0	0	113.3	F64 R65 E66	P62-F64 VanDerWaalsContact C-N 3.29Å; P62-F64 PolarHBondContact O-N 3.38Å; P62-R65 PolarHBondContact O-N 2.98Å; P62-E66 PolarHBondContact O-N 3.39Å; P62-E66 VanDerWaalsContact O-N 3.14Å
63	T	70.6	Confident	67.8	Low	57 Å²	57	86.3 Å²	86.3	35%	0.35	46%	0.464	S	S	.	.	H	α-helix	trans	-67	-26.4	175.9	57.5	0	0	0	0	113.6	N61 R67	N61-T63 PolarHBondContact ND2-OG1 3.48Å; N61-T63 PolarHBondContact O-N 3.1Å; N61-T63 VanDerWaalsContact O-N 3.13Å; N61-T63 PolarHBondContact OD1-N 3Å; N61-T63 PolarHBondContact OD1-OG1 2.83Å; T63-R67 WeakPolarHBondContact O-CB 3.42Å; T63-R67 VanDerWaalsContact O-CG 3.28Å; T63-R67 WeakPolarHBondContact O-CG 3.49Å; T63-R67 PolarHBondContact O-N 3.37Å
64	F	70.9	Confident	68.5	Low	8 Å²	8	85.2 Å²	85.2	4%	0.035	46%	0.464	C	S	.	.	H	α-helix	trans	-66.5	-45.9	174.5	178.6	-100.9	0	0	0	110.7	F45 R46 E49 V57 P59 N61 P62 E66 R67 M68	F45-F64 HydrophobicContact CD1-CD2 4.06Å; F45-F64 HydrophobicContact CD1-CE1 4.44Å; F45-F64 AromaticContact CD1-CE2 3.43Å; F45-F64 HydrophobicContact CD1-CE2 3.43Å; F45-F64 VanDerWaalsContact CD1-CE2 3.43Å; F45-F64 AromaticContact CD1-CZ 3.66Å; F45-F64 HydrophobicContact CD1-CZ 3.66Å; F45-F64 HydrophobicContact CE1-CD2 4.09Å; F45-F64 AromaticContact CE1-CE2 3.91Å; F45-F64 HydrophobicContact CE1-CE2 3.91Å; F45-F64 HydrophobicContact CE1-CZ 4.46Å; R46-F64 HydrophobicContact CB-CE2 4.21Å; R46-F64 HydrophobicContact CB-CZ 4.08Å; E49-F64 WeakPolarHBondContact OE2-CD2 3.45Å; V57-F64 HydrophobicContact CG1-CD2 3.31Å; V57-F64 HydrophobicContact CG1-CE2 3.48Å; V57-F64 VanDerWaalsContact CG1-CE2 3.48Å; V57-F64 HydrophobicContact CG1-CG 4.45Å; P59-F64 HydrophobicContact CB-CD1 4.5Å; P59-F64 HydrophobicContact CB-CE1 4.36Å; N61-F64 VanDerWaalsContact O-CB 3.28Å; N61-F64 WeakPolarHBondContact O-CB 3.26Å; N61-F64 PolarHBondContact O-N 3.07Å; P62-F64 VanDerWaalsContact C-N 3.29Å; P62-F64 PolarHBondContact O-N 3.38Å; F64-E66 PolarHBondContact O-N 3.15Å; F64-R67 PolarHBondContact O-N 3.14Å; F64-M68 HydrophobicContact CE1-SD 4.39Å; F64-M68 WeakPolarHBondContact O-CB 3.39Å; F64-M68 PolarHBondContact O-N 3Å
65	R	72.3	Confident	69	Low	156 Å²	156	85.1 Å²	85.1	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-66.4	-37.2	178.1	-74.9	-173.4	164.1	-154.1	-8	112.8	P62 K69	P62-R65 PolarHBondContact O-N 2.98Å; R65-K69 WeakPolarHBondContact O-CG 3.47Å; R65-K69 PolarHBondContact O-N 2.8Å
66	E	77.4	Confident	70.5	Confident	123 Å²	123	80.8 Å²	80.8	58%	0.575	42%	0.415	S	S	*	.	H	α-helix	trans	-64.7	-45.8	174.6	-74.2	178.6	161.2	0	0	111.5	P62 F64 M68 K69 E70	P62-E66 PolarHBondContact O-N 3.39Å; P62-E66 VanDerWaalsContact O-N 3.14Å; F64-E66 PolarHBondContact O-N 3.15Å; E66-M68 PolarHBondContact O-N 2.93Å; E66-K69 WeakPolarHBondContact O-CB 3.34Å; E66-K69 PolarHBondContact O-N 3.16Å; E66-E70 PolarHBondContact O-N 3.46Å
67	R	75.4	Confident	71.2	Confident	96 Å²	96	82.1 Å²	82.1	36%	0.362	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-39	176.6	-72.8	-179.6	-171.8	166.8	10.4	113.2	F45 E49 T63 F64 K69 E70 F71	F45-R67 HydrophobicContact CE1-CB 4.13Å; F45-R67 HydrophobicContact CZ-CB 3.9Å; E49-R67 VanDerWaalsContact OE1-CD 3.29Å; E49-R67 WeakPolarHBondContact OE1-CD 3.4Å; E49-R67 IonicContact OE1-CZ 3.85Å; E49-R67 IonicContact OE1-NE 3.7Å; E49-R67 IonicContact OE1-NH1 3.94Å; E49-R67 PolarHBondContact OE1-NH1 2.98Å; T63-R67 WeakPolarHBondContact O-CB 3.42Å; T63-R67 VanDerWaalsContact O-CG 3.28Å; T63-R67 WeakPolarHBondContact O-CG 3.49Å; T63-R67 PolarHBondContact O-N 3.37Å; F64-R67 PolarHBondContact O-N 3.14Å; R67-K69 VanDerWaalsContact C-N 3.27Å; R67-K69 PolarHBondContact O-N 3.32Å; R67-E70 PolarHBondContact O-N 3.39Å; R67-F71 VanDerWaalsContact O-CB 3.24Å; R67-F71 WeakPolarHBondContact O-CB 3.44Å; R67-F71 PolarHBondContact O-N 2.85Å
68	M	75.4	Confident	71.6	Confident	29 Å²	29	82.6 Å²	82.6	14%	0.143	40%	0.401	C	S	.	.	H	α-helix	trans	-62.1	-39.5	174.7	-169.7	173.3	74.2	0	0	110.5	E42 F45 F64 E66 F71 M72	E42-M68 HydrophobicContact CG-CE 4.17Å; E42-M68 HydrophobicContact CG-SD 4.04Å; F45-M68 HydrophobicContact CB-CG 4.48Å; F45-M68 HydrophobicContact CD1-CB 3.93Å; F45-M68 HydrophobicContact CD1-CG 4.14Å; F45-M68 HydrophobicContact CE1-CB 3.97Å; F45-M68 HydrophobicContact CG-CB 4.38Å; F45-M68 HydrophobicContact CG-CG 4.15Å; F45-M68 HydrophobicContact CZ-CB 4.45Å; F64-M68 HydrophobicContact CE1-SD 4.39Å; F64-M68 WeakPolarHBondContact O-CB 3.39Å; F64-M68 PolarHBondContact O-N 3Å; E66-M68 PolarHBondContact O-N 2.93Å; M68-F71 WeakPolarHBondContact O-CB 3.45Å; M68-F71 PolarHBondContact O-N 2.76Å; M68-M72 WeakPolarHBondContact O-CB 3.36Å; M68-M72 VanDerWaalsContact O-CG 3.29Å; M68-M72 WeakPolarHBondContact O-CG 3.43Å; M68-M72 PolarHBondContact O-N 3.44Å
69	K	78.1	Confident	72.2	Confident	151 Å²	151	87.2 Å²	87.2	66%	0.657	42%	0.417	S	S	*	.	H	α-helix	trans	-64.5	-43.1	173	-80.4	-177.5	175.8	-176	0	113.1	R65 E66 R67 F71 M72 Q73	R65-K69 WeakPolarHBondContact O-CG 3.47Å; R65-K69 PolarHBondContact O-N 2.8Å; E66-K69 WeakPolarHBondContact O-CB 3.34Å; E66-K69 PolarHBondContact O-N 3.16Å; R67-K69 VanDerWaalsContact C-N 3.27Å; R67-K69 PolarHBondContact O-N 3.32Å; K69-F71 VanDerWaalsContact C-N 3.32Å; K69-M72 PolarHBondContact O-N 3.12Å; K69-Q73 WeakPolarHBondContact O-CB 3.48Å; K69-Q73 PolarHBondContact O-N 2.85Å
70	E	79.7	Confident	72.8	Confident	135 Å²	135	87 Å²	87	63%	0.631	41%	0.413	S	S	*	.	H	α-helix	trans	-64.3	-38.6	175.5	-72.8	-177.3	169.2	0	0	111.9	E66 R67 Q73 K74	E66-E70 PolarHBondContact O-N 3.46Å; R67-E70 PolarHBondContact O-N 3.39Å; E70-Q73 PolarHBondContact O-N 3.29Å; E70-K74 WeakPolarHBondContact O-CB 3.4Å; E70-K74 PolarHBondContact O-N 3.49Å; E70-K74 VanDerWaalsContact O-N 3.13Å
71	F	79.8	Confident	73.5	Confident	21 Å²	21	83.3 Å²	83.3	9%	0.092	40%	0.398	C	S	.	.	H	α-helix	trans	-62.7	-50.1	175.3	179.6	-90.7	0	0	0	111.2	F44 F45 L48 R67 M68 K69 Q73 K74 F75 I83 I91	F44-F71 HydrophobicContact CE1-CE1 4.4Å; F44-F71 HydrophobicContact CE1-CZ 4.11Å; F45-F71 HydrophobicContact CD2-CB 4.18Å; F45-F71 AromaticContact CD2-CD1 3.94Å; F45-F71 HydrophobicContact CD2-CD1 3.94Å; F45-F71 HydrophobicContact CD2-CD2 4.13Å; F45-F71 HydrophobicContact CD2-CE1 4.31Å; F45-F71 HydrophobicContact CD2-CE2 4.48Å; F45-F71 AromaticContact CD2-CG 3.82Å; F45-F71 HydrophobicContact CD2-CG 3.82Å; F45-F71 HydrophobicContact CE2-CB 3.51Å; F45-F71 HydrophobicContact CE2-CD1 4.09Å; F45-F71 AromaticContact CE2-CD2 3.66Å; F45-F71 HydrophobicContact CE2-CD2 3.66Å; F45-F71 HydrophobicContact CE2-CE2 4.35Å; F45-F71 AromaticContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CE2-CG 3.49Å; F45-F71 VanDerWaalsContact CE2-CG 3.49Å; F45-F71 HydrophobicContact CZ-CB 4.22Å; L48-F71 HydrophobicContact CD2-CE2 3.85Å; L48-F71 HydrophobicContact CD2-CZ 4.01Å; R67-F71 VanDerWaalsContact O-CB 3.24Å; R67-F71 WeakPolarHBondContact O-CB 3.44Å; R67-F71 PolarHBondContact O-N 2.85Å; M68-F71 WeakPolarHBondContact O-CB 3.45Å; M68-F71 PolarHBondContact O-N 2.76Å; K69-F71 VanDerWaalsContact C-N 3.32Å; F71-Q73 PolarHBondContact O-N 2.92Å; F71-K74 PolarHBondContact O-N 2.95Å; F71-K74 VanDerWaalsContact O-N 3.1Å; F71-F75 HydrophobicContact CD1-CD2 4.38Å; F71-F75 AromaticContact CD2-CD2 3.72Å; F71-F75 HydrophobicContact CD2-CD2 3.72Å; F71-F75 AromaticContact CD2-CE2 3.78Å; F71-F75 HydrophobicContact CD2-CE2 3.78Å; F71-F75 HydrophobicContact CE1-CD2 4.32Å; F71-F75 AromaticContact CE2-CD2 3.65Å; F71-F75 HydrophobicContact CE2-CD2 3.65Å; F71-F75 AromaticContact CE2-CE2 3.68Å; F71-F75 HydrophobicContact CE2-CE2 3.68Å; F71-F75 HydrophobicContact CG-CD2 4.11Å; F71-F75 AromaticContact CZ-CD2 3.98Å; F71-F75 HydrophobicContact CZ-CD2 3.98Å; F71-F75 HydrophobicContact CZ-CE2 4.39Å; F71-F75 WeakPolarHBondContact O-CD2 3.47Å; F71-F75 PolarHBondContact O-N 3.07Å; F71-I83 HydrophobicContact CE1-CD1 4.36Å; F71-I91 HydrophobicContact CE1-CD1 3.68Å; F71-I91 HydrophobicContact CE1-CG1 4.29Å; F71-I91 HydrophobicContact CE2-CD1 4.43Å; F71-I91 HydrophobicContact CE2-CG1 4.17Å; F71-I91 HydrophobicContact CE2-CG2 3.92Å; F71-I91 HydrophobicContact CZ-CB 4.21Å; F71-I91 HydrophobicContact CZ-CD1 3.38Å; F71-I91 HydrophobicContact CZ-CG1 3.56Å; F71-I91 HydrophobicContact CZ-CG2 3.56Å
72	M	78.6	Confident	74.2	Confident	21 Å²	21	84.1 Å²	84.1	10%	0.103	40%	0.396	C	S	.	.	H	α-helix	trans	-58.2	-50.2	174.3	-70.8	-59.7	-73.1	0	0	110.4	L41 M68 K69 K74 F75 D76 I83	L41-M72 HydrophobicContact CD1-SD 3.98Å; L41-M72 HydrophobicContact CD2-CE 3.94Å; L41-M72 HydrophobicContact CD2-CG 4.19Å; L41-M72 HydrophobicContact CD2-SD 3.59Å; L41-M72 VanDerWaalsContact CD2-SD 3.59Å; L41-M72 HydrophobicContact CG-SD 4.39Å; M68-M72 WeakPolarHBondContact O-CB 3.36Å; M68-M72 VanDerWaalsContact O-CG 3.29Å; M68-M72 WeakPolarHBondContact O-CG 3.43Å; M68-M72 PolarHBondContact O-N 3.44Å; K69-M72 PolarHBondContact O-N 3.12Å; M72-K74 PolarHBondContact O-N 3.04Å; M72-F75 PolarHBondContact O-N 3.31Å; M72-F75 VanDerWaalsContact O-N 3.12Å; M72-D76 HydrophobicContact CB-CB 4.34Å; M72-D76 HydrophobicContact CE-CB 3.61Å; M72-D76 WeakPolarHBondContact CE-OD2 3.18Å; M72-D76 WeakPolarHBondContact O-CA 3.44Å; M72-D76 WeakPolarHBondContact O-CB 3.43Å; M72-D76 PolarHBondContact O-N 3.46Å; M72-D76 HydrophobicContact SD-CB 4.3Å; M72-I83 HydrophobicContact CE-CD1 4.15Å; M72-I83 HydrophobicContact CE-CG1 4.31Å; M72-I83 HydrophobicContact SD-CD1 3.56Å; M72-I83 VanDerWaalsContact SD-CD1 3.56Å; M72-I83 HydrophobicContact SD-CG1 3.76Å
73	Q	79.6	Confident	74.9	Confident	167 Å²	167	79.7 Å²	79.7	78%	0.78	37%	0.367	S	S	*	.	H	α-helix	trans	-55	-26.4	177.4	-84	-171.5	-1	0	0	114.8	K69 E70 F71	K69-Q73 WeakPolarHBondContact O-CB 3.48Å; K69-Q73 PolarHBondContact O-N 2.85Å; E70-Q73 PolarHBondContact O-N 3.29Å; F71-Q73 PolarHBondContact O-N 2.92Å
74	K	78	Confident	75.1	Confident	155 Å²	155	77.5 Å²	77.5	67%	0.674	35%	0.353	S	S	*	.	H	α-helix	trans	-87.6	-35.7	-179.4	-169.9	174.4	179.8	-179.6	0	113.3	E70 F71 M72	E70-K74 WeakPolarHBondContact O-CB 3.4Å; E70-K74 PolarHBondContact O-N 3.49Å; E70-K74 VanDerWaalsContact O-N 3.13Å; F71-K74 PolarHBondContact O-N 2.95Å; F71-K74 VanDerWaalsContact O-N 3.1Å; M72-K74 PolarHBondContact O-N 3.04Å
75	F	74.1	Confident	75.1	Confident	35 Å²	35	77.8 Å²	77.8	15%	0.154	36%	0.355	C	S	.	.	H	α-helix	trans	-112.3	-31.4	-170.3	-66.6	-74.7	0	0	0	114.3	F71 M72 K77 E87 Q90 I91	F71-F75 HydrophobicContact CD1-CD2 4.38Å; F71-F75 AromaticContact CD2-CD2 3.72Å; F71-F75 HydrophobicContact CD2-CD2 3.72Å; F71-F75 AromaticContact CD2-CE2 3.78Å; F71-F75 HydrophobicContact CD2-CE2 3.78Å; F71-F75 HydrophobicContact CE1-CD2 4.32Å; F71-F75 AromaticContact CE2-CD2 3.65Å; F71-F75 HydrophobicContact CE2-CD2 3.65Å; F71-F75 AromaticContact CE2-CE2 3.68Å; F71-F75 HydrophobicContact CE2-CE2 3.68Å; F71-F75 HydrophobicContact CG-CD2 4.11Å; F71-F75 AromaticContact CZ-CD2 3.98Å; F71-F75 HydrophobicContact CZ-CD2 3.98Å; F71-F75 HydrophobicContact CZ-CE2 4.39Å; F71-F75 WeakPolarHBondContact O-CD2 3.47Å; F71-F75 PolarHBondContact O-N 3.07Å; M72-F75 PolarHBondContact O-N 3.31Å; M72-F75 VanDerWaalsContact O-N 3.12Å; F75-K77 PolarHBondContact O-N 3.42Å; F75-E87 WeakPolarHBondContact O-CG 3.49Å; F75-Q90 HydrophobicContact CD1-CB 4.33Å; F75-I91 HydrophobicContact CB-CD1 3.93Å; F75-I91 HydrophobicContact CB-CG1 3.88Å; F75-I91 HydrophobicContact CD1-CG1 3.54Å; F75-I91 HydrophobicContact CD2-CG1 3.91Å; F75-I91 HydrophobicContact CE1-CG1 3.97Å; F75-I91 HydrophobicContact CE2-CG1 4.32Å; F75-I91 HydrophobicContact CG-CD1 4.11Å; F75-I91 HydrophobicContact CG-CG1 3.5Å; F75-I91 HydrophobicContact CZ-CG1 4.35Å
76	D	76.8	Confident	74.9	Confident	14 Å²	14	71.4 Å²	71.4	8%	0.075	33%	0.334	C	S	.	.			trans	-74.2	89.3	170.5	174.5	4.5	0	0	0	108.6	M72 N78 K79 D80 G81 E87	M72-D76 HydrophobicContact CB-CB 4.34Å; M72-D76 HydrophobicContact CE-CB 3.61Å; M72-D76 WeakPolarHBondContact CE-OD2 3.18Å; M72-D76 WeakPolarHBondContact O-CA 3.44Å; M72-D76 WeakPolarHBondContact O-CB 3.43Å; M72-D76 PolarHBondContact O-N 3.46Å; M72-D76 HydrophobicContact SD-CB 4.3Å; D76-N78 PolarHBondContact OD1-OD1 3.49Å; D76-K79 WeakPolarHBondContact OD1-CA 3.17Å; D76-K79 PolarHBondContact OD1-N 3.29Å; D76-K79 WeakPolarHBondContact OD2-CA 3.4Å; D76-D80 PolarHBondContact OD1-N 3.08Å; D76-G81 WeakPolarHBondContact OD2-CA 3.27Å; D76-G81 PolarHBondContact OD2-N 3.17Å; D76-E87 WeakPolarHBondContact CA-OE1 3.29Å
77	K	68.4	Low	74.9	Confident	104 Å²	104	65.7 Å²	65.7	45%	0.452	31%	0.307	S	S	.	.	S	Bend	trans	-76.9	-31.8	-175.1	-79.7	-178.3	174.8	169.6	0	111.6	F75 K79 E87	F75-K77 PolarHBondContact O-N 3.42Å; K77-K79 VanDerWaalsContact C-N 3.34Å; K77-E87 PolarHBondContact N-OE1 2.97Å
78	N	62.7	Low	75	Confident	41 Å²	41	61.1 Å²	61.1	22%	0.219	29%	0.29	C	S	.	.	S	Bend	trans	-87.6	-10.2	-176.9	75.3	4.3	0	0	0	111.8	D76 D80 E84	D76-N78 PolarHBondContact OD1-OD1 3.49Å; N78-D80 VanDerWaalsContact CG-CG 3.44Å; N78-D80 PolarHBondContact ND2-OD2 3.39Å; N78-D80 PolarHBondContact O-N 2.93Å; N78-D80 VanDerWaalsContact OD1-CB 3.3Å; N78-D80 WeakPolarHBondContact OD1-CB 3.17Å; N78-D80 PolarHBondContact OD1-N 2.99Å; N78-D80 PolarHBondContact OD1-OD1 2.8Å; N78-D80 PolarHBondContact OD1-OD2 2.97Å; N78-E84 PolarHBondContact ND2-OE1 2.77Å
79	K	70.3	Confident	74.7	Confident	179 Å²	179	60.2 Å²	60.2	78%	0.778	29%	0.287	S	S	*	.			trans	58.1	30.1	-179.3	-59.1	-179.2	-178.1	175.7	0	112.8	D76 K77	D76-K79 WeakPolarHBondContact OD1-CA 3.17Å; D76-K79 PolarHBondContact OD1-N 3.29Å; D76-K79 WeakPolarHBondContact OD2-CA 3.4Å; K77-K79 VanDerWaalsContact C-N 3.34Å
80	D	70.1	Confident	74.4	Confident	60 Å²	60	56.1 Å²	56.1	32%	0.321	27%	0.27	S	S	.	.	S	Bend	trans	-82.4	-6.6	178	75.4	1.9	0	0	0	112.5	D76 N78 R82	D76-D80 PolarHBondContact OD1-N 3.08Å; N78-D80 VanDerWaalsContact CG-CG 3.44Å; N78-D80 PolarHBondContact ND2-OD2 3.39Å; N78-D80 PolarHBondContact O-N 2.93Å; N78-D80 VanDerWaalsContact OD1-CB 3.3Å; N78-D80 WeakPolarHBondContact OD1-CB 3.17Å; N78-D80 PolarHBondContact OD1-N 2.99Å; N78-D80 PolarHBondContact OD1-OD1 2.8Å; N78-D80 PolarHBondContact OD1-OD2 2.97Å; D80-R82 VanDerWaalsContact C-N 3.31Å; D80-R82 WeakPolarHBondContact OD1-CA 3.34Å; D80-R82 WeakPolarHBondContact OD1-CB 3.37Å; D80-R82 PolarHBondContact OD1-N 2.86Å
81	G	74.1	Confident	74.1	Confident	40 Å²	40	50 Å²	50	41%	0.412	24%	0.241	S	C	.	.	S	Bend	trans	78.7	14.2	179.8	0	0	0	0	0	113.8	D76	D76-G81 WeakPolarHBondContact OD2-CA 3.27Å; D76-G81 PolarHBondContact OD2-N 3.17Å
82	R	80.1	Confident	73.6	Confident	82 Å²	82	49.3 Å²	49.3	31%	0.309	24%	0.239	S	C	.	.	S	Bend	trans	-121.3	155.1	-179.5	-52.4	177	165.3	-167.3	-16	108.8	Y35 E37 D80	Y35-R82 HydrophobicContact CD1-CB 4.07Å; E37-R82 HydrophobicContact CB-CB 4.33Å; E37-R82 HydrophobicContact CB-CG 3.94Å; E37-R82 VanDerWaalsContact CD-NH2 3.27Å; E37-R82 IonicContact OE1-CZ 2.9Å; E37-R82 IonicContact OE1-NE 4Å; E37-R82 IonicContact OE1-NH2 2.96Å; E37-R82 PolarHBondContact OE1-NH2 3.03Å; E37-R82 IonicContact OE2-CZ 2.75Å; E37-R82 IonicContact OE2-NE 2.69Å; E37-R82 PolarHBondContact OE2-NE 3.35Å; E37-R82 IonicContact OE2-NH2 3.3Å; E37-R82 PolarHBondContact OE2-NH2 2.87Å; D80-R82 VanDerWaalsContact C-N 3.31Å; D80-R82 WeakPolarHBondContact OD1-CA 3.34Å; D80-R82 WeakPolarHBondContact OD1-CB 3.37Å; D80-R82 PolarHBondContact OD1-N 2.86Å
83	I	80.1	Confident	72.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.3	170.3	-67.5	-63.3	0	0	0	108.4	I36 L41 F71 M72 E87 L88 I91	I36-I83 HydrophobicContact CB-CB 4.14Å; I36-I83 PolarHBondContact N-O 3.38Å; I36-I83 PolarHBondContact O-N 3.14Å; L41-I83 HydrophobicContact CD1-CB 4.4Å; L41-I83 HydrophobicContact CD1-CG1 3.53Å; F71-I83 HydrophobicContact CE1-CD1 4.36Å; M72-I83 HydrophobicContact CE-CD1 4.15Å; M72-I83 HydrophobicContact CE-CG1 4.31Å; M72-I83 HydrophobicContact SD-CD1 3.56Å; M72-I83 VanDerWaalsContact SD-CD1 3.56Å; M72-I83 HydrophobicContact SD-CG1 3.76Å; I83-E87 HydrophobicContact CD1-CB 4.48Å; I83-E87 HydrophobicContact CG2-CB 4.32Å; I83-L88 HydrophobicContact CG2-CB 4.07Å; I83-I91 HydrophobicContact CD1-CD1 4Å; I83-I91 HydrophobicContact CG2-CD1 4.04Å
84	E	74.9	Confident	71.9	Confident	11 Å²	11	44.3 Å²	44.3	5%	0.051	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	163.2	172.5	-65.4	167.7	-151.9	0	0	111.9	Y35 N78 S86 E87 L88 V182	Y35-E84 HydrophobicContact CD1-CG 4.1Å; Y35-E84 HydrophobicContact CE1-CG 4.01Å; N78-E84 PolarHBondContact ND2-OE1 2.77Å; E84-S86 PolarHBondContact O-N 2.88Å; E84-S86 PolarHBondContact OE2-OG 2.8Å; E84-S86 VanDerWaalsContact OE2-OG 3.04Å; E84-E87 HydrophobicContact CB-CB 4.47Å; E84-E87 HydrophobicContact CB-CG 4.2Å; E84-E87 PolarHBondContact N-OE2 3.31Å; E84-E87 PolarHBondContact O-N 2.81Å; E84-L88 PolarHBondContact O-N 3.17Å; E84-V182 HydrophobicContact CG-CG2 3.95Å; E84-V182 WeakPolarHBondContact OE1-CB 3.41Å; E84-V182 WeakPolarHBondContact OE1-CG2 3.2Å; E84-V182 VanDerWaalsContact OE2-CG2 3.29Å; E84-V182 WeakPolarHBondContact OE2-CG2 3.33Å
85	M	71.4	Confident	70.8	Confident	14 Å²	14	42 Å²	42	7%	0.069	21%	0.213	C	C	.	.	H	α-helix	trans	-53.1	-40.4	169.9	-168.4	77.6	78.3	0	0	111.8	F21 W25 E87 L88 A89 L99 F163	F21-M85 HydrophobicContact CD1-SD 4.32Å; F21-M85 HydrophobicContact CE1-CG 4.03Å; F21-M85 HydrophobicContact CE1-SD 3.33Å; F21-M85 WeakPolarHBondContact CE1-SD 3.39Å; F21-M85 HydrophobicContact CZ-CG 4.36Å; F21-M85 HydrophobicContact CZ-SD 3.89Å; W25-M85 HydrophobicContact CB-CE 4.22Å; W25-M85 HydrophobicContact CB-SD 4.05Å; W25-M85 VanDerWaalsContact CD1-CE 3.46Å; W25-M85 HydrophobicContact CD2-CE 3.26Å; W25-M85 HydrophobicContact CD2-SD 3.27Å; W25-M85 HydrophobicContact CE3-CB 4.26Å; W25-M85 HydrophobicContact CE3-CE 3.91Å; W25-M85 HydrophobicContact CE3-CG 4.4Å; W25-M85 HydrophobicContact CE3-SD 3.29Å; W25-M85 HydrophobicContact CG-CE 3.35Å; W25-M85 HydrophobicContact CG-SD 3.6Å; W25-M85 VanDerWaalsContact CG-SD 3.6Å; W25-M85 HydrophobicContact CH2-CB 4.01Å; W25-M85 HydrophobicContact CZ2-CB 4.37Å; W25-M85 HydrophobicContact CZ2-CE 4.01Å; W25-M85 HydrophobicContact CZ2-SD 4.46Å; W25-M85 HydrophobicContact CZ3-CB 3.95Å; W25-M85 HydrophobicContact CZ3-SD 3.98Å; M85-E87 PolarHBondContact O-N 3.08Å; M85-L88 PolarHBondContact O-N 2.97Å; M85-A89 WeakPolarHBondContact O-CB 3.3Å; M85-A89 PolarHBondContact O-N 2.88Å; M85-L99 HydrophobicContact CG-CD1 4.25Å; M85-F163 HydrophobicContact CE-CZ 4.22Å; M85-F163 HydrophobicContact CG-CZ 4.34Å
86	S	67.4	Low	69.8	Low	21 Å²	21	47.2 Å²	47.2	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-25.4	-179.7	85.5	0	0	0	0	113.1	E84 Q90	E84-S86 PolarHBondContact O-N 2.88Å; E84-S86 PolarHBondContact OE2-OG 2.8Å; E84-S86 VanDerWaalsContact OE2-OG 3.04Å; S86-Q90 PolarHBondContact O-NE2 3.5Å
87	E	77.1	Confident	68.7	Low	4 Å²	4	48.4 Å²	48.4	2%	0.019	25%	0.245	C	C	.	.	H	α-helix	trans	-90	-39.6	178.1	-63.5	176.7	146.2	0	0	110.2	F75 D76 K77 I83 E84 M85 A89 Q90 I91	F75-E87 WeakPolarHBondContact O-CG 3.49Å; D76-E87 WeakPolarHBondContact CA-OE1 3.29Å; K77-E87 PolarHBondContact N-OE1 2.97Å; I83-E87 HydrophobicContact CD1-CB 4.48Å; I83-E87 HydrophobicContact CG2-CB 4.32Å; E84-E87 HydrophobicContact CB-CB 4.47Å; E84-E87 HydrophobicContact CB-CG 4.2Å; E84-E87 PolarHBondContact N-OE2 3.31Å; E84-E87 PolarHBondContact O-N 2.81Å; M85-E87 PolarHBondContact O-N 3.08Å; E87-A89 VanDerWaalsContact C-N 3.26Å; E87-A89 PolarHBondContact O-N 3.09Å; E87-Q90 WeakPolarHBondContact O-CA 3.43Å; E87-Q90 WeakPolarHBondContact O-CB 2.98Å; E87-Q90 PolarHBondContact O-N 3.01Å; E87-I91 WeakPolarHBondContact O-CD1 3.27Å; E87-I91 VanDerWaalsContact O-CG1 3.32Å; E87-I91 WeakPolarHBondContact O-CG1 3.41Å; E87-I91 PolarHBondContact O-N 2.94Å; E87-I91 VanDerWaalsContact O-N 3.08Å
88	L	77.8	Confident	68.1	Low	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-39.4	172.2	-170.8	69.3	0	0	0	111.7	F21 I24 W25 I36 F44 I83 E84 M85 Q90 I91 L92	F21-L88 HydrophobicContact CE2-CB 4.14Å; F21-L88 HydrophobicContact CE2-CD2 3.79Å; F21-L88 HydrophobicContact CE2-CG 3.7Å; F21-L88 HydrophobicContact CZ-CB 4.02Å; F21-L88 HydrophobicContact CZ-CD2 3.9Å; F21-L88 HydrophobicContact CZ-CG 3.99Å; I24-L88 HydrophobicContact CG2-CD2 4.36Å; W25-L88 HydrophobicContact CE3-CB 4.27Å; W25-L88 HydrophobicContact CE3-CD2 3.53Å; W25-L88 HydrophobicContact CZ3-CB 4.14Å; W25-L88 HydrophobicContact CZ3-CD2 4.16Å; I36-L88 HydrophobicContact CD1-CD1 4.48Å; I36-L88 HydrophobicContact CD1-CD2 4.11Å; F44-L88 HydrophobicContact CD2-CD1 4.39Å; F44-L88 HydrophobicContact CE1-CD1 3.79Å; F44-L88 HydrophobicContact CE2-CD1 3.5Å; F44-L88 HydrophobicContact CZ-CD1 3.14Å; I83-L88 HydrophobicContact CG2-CB 4.07Å; E84-L88 PolarHBondContact O-N 3.17Å; M85-L88 PolarHBondContact O-N 2.97Å; L88-Q90 PolarHBondContact O-N 3.15Å; L88-I91 HydrophobicContact CD1-CB 4.46Å; L88-I91 HydrophobicContact CD1-CD1 4.46Å; L88-I91 HydrophobicContact CD1-CG2 4.5Å; L88-I91 WeakPolarHBondContact O-CB 3.47Å; L88-I91 PolarHBondContact O-N 2.83Å; L88-L92 HydrophobicContact CD1-CD1 3.95Å; L88-L92 HydrophobicContact CD1-CG 4.08Å; L88-L92 HydrophobicContact CD2-CD1 4.04Å; L88-L92 HydrophobicContact CG-CD1 3.84Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 PolarHBondContact O-N 3.39Å
89	A	70.8	Confident	67.8	Low	9 Å²	9	43.6 Å²	43.6	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-62.8	-22.4	175	0	0	0	0	0	113.5	F21 M85 E87 L99	F21-A89 HydrophobicContact CE2-CB 4.25Å; F21-A89 HydrophobicContact CZ-CB 3.96Å; M85-A89 WeakPolarHBondContact O-CB 3.3Å; M85-A89 PolarHBondContact O-N 2.88Å; E87-A89 VanDerWaalsContact C-N 3.26Å; E87-A89 PolarHBondContact O-N 3.09Å; A89-L99 HydrophobicContact CB-CB 4.35Å; A89-L99 HydrophobicContact CB-CD1 3.99Å
90	Q	70.3	Confident	67.2	Low	66 Å²	66	38.1 Å²	38.1	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-88.1	-23	172.4	-69.3	170.9	77.7	0	0	112.5	F75 S86 E87 L88	F75-Q90 HydrophobicContact CD1-CB 4.33Å; S86-Q90 PolarHBondContact O-NE2 3.5Å; E87-Q90 WeakPolarHBondContact O-CA 3.43Å; E87-Q90 WeakPolarHBondContact O-CB 2.98Å; E87-Q90 PolarHBondContact O-N 3.01Å; L88-Q90 PolarHBondContact O-N 3.15Å
91	I	74	Confident	66.6	Low	5 Å²	5	35.4 Å²	35.4	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-79.1	-45.1	-179.8	-70.7	159.6	0	0	0	110.8	F44 L48 R52 F71 F75 I83 E87 L88	F44-I91 HydrophobicContact CE1-CG2 4.2Å; F44-I91 HydrophobicContact CZ-CG2 3.94Å; L48-I91 HydrophobicContact CD2-CG2 3.81Å; R52-I91 PolarHBondContact NH2-O 3.23Å; F71-I91 HydrophobicContact CE1-CD1 3.68Å; F71-I91 HydrophobicContact CE1-CG1 4.29Å; F71-I91 HydrophobicContact CE2-CD1 4.43Å; F71-I91 HydrophobicContact CE2-CG1 4.17Å; F71-I91 HydrophobicContact CE2-CG2 3.92Å; F71-I91 HydrophobicContact CZ-CB 4.21Å; F71-I91 HydrophobicContact CZ-CD1 3.38Å; F71-I91 HydrophobicContact CZ-CG1 3.56Å; F71-I91 HydrophobicContact CZ-CG2 3.56Å; F75-I91 HydrophobicContact CB-CD1 3.93Å; F75-I91 HydrophobicContact CB-CG1 3.88Å; F75-I91 HydrophobicContact CD1-CG1 3.54Å; F75-I91 HydrophobicContact CD2-CG1 3.91Å; F75-I91 HydrophobicContact CE1-CG1 3.97Å; F75-I91 HydrophobicContact CE2-CG1 4.32Å; F75-I91 HydrophobicContact CG-CD1 4.11Å; F75-I91 HydrophobicContact CG-CG1 3.5Å; F75-I91 HydrophobicContact CZ-CG1 4.35Å; I83-I91 HydrophobicContact CD1-CD1 4Å; I83-I91 HydrophobicContact CG2-CD1 4.04Å; E87-I91 WeakPolarHBondContact O-CD1 3.27Å; E87-I91 VanDerWaalsContact O-CG1 3.32Å; E87-I91 WeakPolarHBondContact O-CG1 3.41Å; E87-I91 PolarHBondContact O-N 2.94Å; E87-I91 VanDerWaalsContact O-N 3.08Å; L88-I91 HydrophobicContact CD1-CB 4.46Å; L88-I91 HydrophobicContact CD1-CD1 4.46Å; L88-I91 HydrophobicContact CD1-CG2 4.5Å; L88-I91 WeakPolarHBondContact O-CB 3.47Å; L88-I91 PolarHBondContact O-N 2.83Å
92	L	70.1	Confident	65.8	Low	7 Å²	7	33.7 Å²	33.7	4%	0.037	17%	0.169	C	C	.	.	S	Bend	trans	-89.1	136.2	-178.3	-63	178.2	0	0	0	109.6	L11 V16 F21 I24 L48 L88 T94	L11-L92 HydrophobicContact CD2-CD1 4.49Å; L11-L92 HydrophobicContact CD2-CD2 3.7Å; V16-L92 HydrophobicContact CG2-CB 4.05Å; F21-L92 HydrophobicContact CD2-CB 4.34Å; F21-L92 HydrophobicContact CD2-CD1 3.69Å; F21-L92 HydrophobicContact CE2-CB 4.42Å; F21-L92 HydrophobicContact CE2-CD1 3.88Å; I24-L92 HydrophobicContact CB-CD1 4.48Å; I24-L92 HydrophobicContact CD1-CD1 3.99Å; I24-L92 HydrophobicContact CG2-CD1 3.87Å; L48-L92 HydrophobicContact CD1-CD2 3.96Å; L88-L92 HydrophobicContact CD1-CD1 3.95Å; L88-L92 HydrophobicContact CD1-CG 4.08Å; L88-L92 HydrophobicContact CD2-CD1 4.04Å; L88-L92 HydrophobicContact CG-CD1 3.84Å; L88-L92 HydrophobicContact CG-CG 4.24Å; L88-L92 PolarHBondContact O-N 3.39Å; L92-T94 HydrophobicContact CB-CG2 4.26Å; L92-T94 PolarHBondContact O-N 2.98Å
93	P	61.6	Low	64.8	Low	58 Å²	58	33.3 Å²	33.3	38%	0.377	17%	0.167	S	C	.	.			trans	-72	73.8	170.3	31.4	-32.3	0	0	0	108	A14 E15 V16	A14-P93 WeakPolarHBondContact O-CB 3.41Å; A14-P93 VanDerWaalsContact O-CG 3.23Å; A14-P93 WeakPolarHBondContact O-CG 3.31Å; E15-P93 CarbonylContact C-O 3.46Å; E15-P93 WeakPolarHBondContact CA-O 3.17Å; V16-P93 WeakPolarHBondContact CG2-O 3.41Å; V16-P93 PolarHBondContact N-O 3.39Å
94	T	60.4	Low	63.8	Low	26 Å²	26	40 Å²	40	16%	0.16	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-71.8	141.8	174.1	44.7	0	0	0	0	109.9	V16 F21 L92 E96	V16-T94 HydrophobicContact CB-CG2 4.49Å; V16-T94 HydrophobicContact CG2-CG2 4.05Å; V16-T94 CarbonylContact O-C 3.46Å; V16-T94 WeakPolarHBondContact O-CA 3.45Å; F21-T94 HydrophobicContact CB-CG2 3.8Å; F21-T94 HydrophobicContact CD2-CG2 3.14Å; F21-T94 HydrophobicContact CE2-CG2 3.83Å; F21-T94 HydrophobicContact CG-CG2 3.65Å; L92-T94 HydrophobicContact CB-CG2 4.26Å; L92-T94 PolarHBondContact O-N 2.98Å; T94-E96 WeakPolarHBondContact O-CA 3.3Å; T94-E96 PolarHBondContact O-N 3.44Å
95	E	54.7	Low	62.9	Low	105 Å²	105	41.8 Å²	41.8	49%	0.491	21%	0.206	S	C	.	.	S	Bend	trans	-43.1	118.3	172.2	-125.7	-176	176.9	0	0	108.4	V16 N97	V16-E95 PolarHBondContact O-N 3.48Å; E95-N97 PolarHBondContact O-N 2.91Å
96	E	52	Low	62.4	Low	145 Å²	145	41.1 Å²	41.1	68%	0.678	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.8	111.9	-154.8	-90.9	-167.8	149.3	0	0	113.7	T94 R145	T94-E96 WeakPolarHBondContact O-CA 3.3Å; T94-E96 PolarHBondContact O-N 3.44Å; E96-R145 PolarHBondContact O-NH1 3.39Å
97	N	53.7	Low	62	Low	40 Å²	40	44 Å²	44	21%	0.214	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	24.2	151.6	-39.9	-65.3	0	0	0	120.3	E95 L100 C101 R145	E95-N97 PolarHBondContact O-N 2.91Å; N97-L100 HydrophobicContact CB-CB 3.98Å; N97-C101 WeakPolarHBondContact O-CB 3.48Å; N97-C101 PolarHBondContact O-N 3.3Å; N97-C101 PolarHBondContact O-SG 3.01Å; N97-R145 VanDerWaalsContact ND2-CZ 3.29Å; N97-R145 PolarHBondContact ND2-NH2 3.06Å
98	F	56.2	Low	61.4	Low	18 Å²	18	44.8 Å²	44.8	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-57	171.3	178.4	-121	0	0	0	112.7	A18 L136 Y155 T158 I159	A18-F98 HydrophobicContact CB-CD1 3.98Å; F98-L136 HydrophobicContact CE2-CD2 4.12Å; F98-Y155 HydrophobicContact CB-CE1 4.27Å; F98-Y155 HydrophobicContact CD1-CD1 4.48Å; F98-Y155 AromaticContact CD2-CD1 3.43Å; F98-Y155 HydrophobicContact CD2-CD1 3.43Å; F98-Y155 VanDerWaalsContact CD2-CD1 3.43Å; F98-Y155 AromaticContact CD2-CD2 3.96Å; F98-Y155 HydrophobicContact CD2-CD2 3.96Å; F98-Y155 AromaticContact CD2-CE1 3.81Å; F98-Y155 HydrophobicContact CD2-CE1 3.81Å; F98-Y155 HydrophobicContact CD2-CE2 4.29Å; F98-Y155 AromaticContact CD2-CG 3.53Å; F98-Y155 HydrophobicContact CD2-CG 3.53Å; F98-Y155 AromaticContact CE2-CD1 3.6Å; F98-Y155 HydrophobicContact CE2-CD1 3.6Å; F98-Y155 AromaticContact CE2-CD2 3.98Å; F98-Y155 HydrophobicContact CE2-CD2 3.98Å; F98-Y155 HydrophobicContact CE2-CE1 4.42Å; F98-Y155 AromaticContact CE2-CG 3.34Å; F98-Y155 HydrophobicContact CE2-CG 3.34Å; F98-Y155 AromaticContact CG-CD1 3.9Å; F98-Y155 HydrophobicContact CG-CD1 3.9Å; F98-Y155 HydrophobicContact CG-CE1 4.09Å; F98-Y155 HydrophobicContact CG-CG 4.43Å; F98-Y155 HydrophobicContact CZ-CD1 4.09Å; F98-Y155 HydrophobicContact CZ-CG 4.03Å; F98-Y155 WeakPolarHBondContact CZ-O 3.33Å; F98-T158 HydrophobicContact CE1-CG2 4.4Å; F98-I159 HydrophobicContact CE1-CD1 3.91Å; F98-I159 HydrophobicContact CE1-CG1 3.55Å; F98-I159 HydrophobicContact CE2-CD1 4.01Å; F98-I159 HydrophobicContact CE2-CG1 4.47Å; F98-I159 HydrophobicContact CZ-CB 4.49Å; F98-I159 HydrophobicContact CZ-CD1 3.27Å; F98-I159 HydrophobicContact CZ-CG1 3.33Å
99	L	57.4	Low	60.8	Low	26 Å²	26	45.2 Å²	45.2	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-73.9	-28.4	177.1	-68.3	169.4	0	0	0	112.7	F21 M85 A89 F102 R103 L179	F21-L99 HydrophobicContact CD1-CD1 3.96Å; F21-L99 HydrophobicContact CE1-CD1 3.34Å; F21-L99 HydrophobicContact CZ-CD1 3.87Å; M85-L99 HydrophobicContact CG-CD1 4.25Å; A89-L99 HydrophobicContact CB-CB 4.35Å; A89-L99 HydrophobicContact CB-CD1 3.99Å; L99-F102 WeakPolarHBondContact O-CB 3.46Å; L99-F102 PolarHBondContact O-N 3.16Å; L99-R103 PolarHBondContact O-N 2.96Å; L99-L179 HydrophobicContact CD2-CD2 3.79Å
100	L	56.1	Low	60.7	Low	64 Å²	64	46.9 Å²	46.9	34%	0.335	24%	0.242	S	C	.	.	H	α-helix	trans	-71.9	-34.9	179.2	-109.7	153.6	0	0	0	111.9	N97 F102 R103 Q104	N97-L100 HydrophobicContact CB-CB 3.98Å; L100-F102 VanDerWaalsContact C-N 3.31Å; L100-R103 PolarHBondContact O-N 3.36Å; L100-Q104 WeakPolarHBondContact O-CB 3.42Å; L100-Q104 WeakPolarHBondContact O-CG 3.4Å; L100-Q104 PolarHBondContact O-N 2.61Å
101	C	58	Low	60.9	Low	3 Å²	3	48.2 Å²	48.2	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-38.1	170.2	-75.1	0	0	0	0	111.2	N97 Q104 F105 L139 R145	N97-C101 WeakPolarHBondContact O-CB 3.48Å; N97-C101 PolarHBondContact O-N 3.3Å; N97-C101 PolarHBondContact O-SG 3.01Å; C101-Q104 PolarHBondContact O-N 3.06Å; C101-F105 WeakPolarHBondContact O-CB 3.09Å; C101-F105 PolarHBondContact O-N 2.83Å; C101-F105 VanDerWaalsContact O-N 3.1Å; C101-L139 HydrophobicContact CB-CD2 3.45Å; C101-L139 VanDerWaalsContact CB-CD2 3.45Å; C101-R145 PolarHBondContact SG-NH2 2.75Å
102	F	58.5	Low	60.9	Low	3 Å²	3	48 Å²	48	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-51.4	172	-147.8	-81.2	0	0	0	110.8	L99 L100 Q104 F105 V106 F112 F135 L139 I159 M176 L179	L99-F102 WeakPolarHBondContact O-CB 3.46Å; L99-F102 PolarHBondContact O-N 3.16Å; L100-F102 VanDerWaalsContact C-N 3.31Å; F102-Q104 PolarHBondContact O-N 3.43Å; F102-F105 PolarHBondContact O-N 2.73Å; F102-F105 VanDerWaalsContact O-N 3.11Å; F102-V106 HydrophobicContact CD1-CG2 3.59Å; F102-V106 HydrophobicContact CE1-CG2 3.79Å; F102-V106 WeakPolarHBondContact O-CG2 3.24Å; F102-V106 PolarHBondContact O-N 3.24Å; F102-F112 HydrophobicContact CE1-CE2 4.38Å; F102-F135 AromaticContact CD2-CE1 3.63Å; F102-F135 HydrophobicContact CD2-CE1 3.63Å; F102-F135 HydrophobicContact CD2-CZ 4.23Å; F102-F135 HydrophobicContact CE1-CZ 4.34Å; F102-F135 AromaticContact CE2-CD1 3.95Å; F102-F135 HydrophobicContact CE2-CD1 3.95Å; F102-F135 AromaticContact CE2-CE1 3.07Å; F102-F135 HydrophobicContact CE2-CE1 3.07Å; F102-F135 AromaticContact CE2-CZ 3.66Å; F102-F135 HydrophobicContact CE2-CZ 3.66Å; F102-F135 AromaticContact CZ-CE1 3.61Å; F102-F135 HydrophobicContact CZ-CE1 3.61Å; F102-F135 AromaticContact CZ-CZ 3.72Å; F102-F135 HydrophobicContact CZ-CZ 3.72Å; F102-L139 HydrophobicContact CD2-CD1 4.1Å; F102-L139 HydrophobicContact CG-CD1 4.4Å; F102-I159 HydrophobicContact CD2-CD1 4.25Å; F102-I159 HydrophobicContact CE2-CD1 4.21Å; F102-M176 HydrophobicContact CE1-CE 4.49Å; F102-M176 HydrophobicContact CE2-CE 4.15Å; F102-M176 HydrophobicContact CZ-CE 3.49Å; F102-M176 VanDerWaalsContact CZ-CE 3.49Å; F102-M176 HydrophobicContact CZ-CG 4.2Å; F102-L179 HydrophobicContact CD1-CB 3.89Å; F102-L179 HydrophobicContact CD1-CD1 4.32Å; F102-L179 HydrophobicContact CD1-CD2 4.48Å; F102-L179 HydrophobicContact CD1-CG 4.48Å; F102-L179 HydrophobicContact CE1-CB 3.65Å; F102-L179 HydrophobicContact CE1-CD1 3.71Å; F102-L179 HydrophobicContact CE1-CG 4.2Å; F102-L179 HydrophobicContact CE2-CD1 3.94Å; F102-L179 HydrophobicContact CZ-CB 4.33Å; F102-L179 HydrophobicContact CZ-CD1 3.49Å; F102-L179 VanDerWaalsContact CZ-CD1 3.49Å; F102-L179 HydrophobicContact CZ-CG 4.43Å
103	R	57.5	Low	61	Low	75 Å²	75	47.7 Å²	47.7	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-35.8	178	-172.6	-178.5	169	135.5	8.6	114.2	L99 L100 F105	L99-R103 PolarHBondContact O-N 2.96Å; L100-R103 PolarHBondContact O-N 3.36Å; R103-F105 VanDerWaalsContact C-N 3.27Å
104	Q	59.8	Low	61.7	Low	140 Å²	140	47.3 Å²	47.3	65%	0.654	25%	0.247	S	C	*	.	H	α-helix	trans	-69.8	-28.4	176.4	-83.5	-176.2	-22.2	0	0	112.4	L100 C101 F102	L100-Q104 WeakPolarHBondContact O-CB 3.42Å; L100-Q104 WeakPolarHBondContact O-CG 3.4Å; L100-Q104 PolarHBondContact O-N 2.61Å; C101-Q104 PolarHBondContact O-N 3.06Å; F102-Q104 PolarHBondContact O-N 3.43Å
105	F	56.3	Low	62.5	Low	48 Å²	48	46.6 Å²	46.6	21%	0.211	24%	0.244	C	C	.	.	H	α-helix	trans	-89.9	-27.2	-175.8	-169.3	-109.4	0	0	0	113.4	C101 F102 R103 F135 L139 K142	C101-F105 WeakPolarHBondContact O-CB 3.09Å; C101-F105 PolarHBondContact O-N 2.83Å; C101-F105 VanDerWaalsContact O-N 3.1Å; F102-F105 PolarHBondContact O-N 2.73Å; F102-F105 VanDerWaalsContact O-N 3.11Å; R103-F105 VanDerWaalsContact C-N 3.27Å; F105-F135 HydrophobicContact CD1-CE2 4.28Å; F105-F135 HydrophobicContact CD1-CZ 4.13Å; F105-F135 HydrophobicContact CE1-CE2 4.22Å; F105-L139 HydrophobicContact CB-CD1 3.67Å; F105-L139 HydrophobicContact CB-CG 3.86Å; F105-L139 HydrophobicContact CD1-CB 4.45Å; F105-L139 HydrophobicContact CD1-CD1 3.73Å; F105-L139 HydrophobicContact CD1-CG 4.11Å; F105-L139 HydrophobicContact CG-CD1 3.9Å; F105-L139 HydrophobicContact CG-CG 3.95Å; F105-K142 HydrophobicContact CD2-CD 3.93Å; F105-K142 HydrophobicContact CE2-CD 3.18Å; F105-K142 VanDerWaalsContact CE2-NZ 3.27Å; F105-K142 HydrophobicContact CZ-CD 3.87Å
106	V	60.5	Low	63.5	Low	1 Å²	1	41.8 Å²	41.8	1%	0.006	22%	0.221	C	C	.	.			trans	-117.7	84.9	173.6	-76.3	0	0	0	0	109.8	F102 F112 L180	F102-V106 HydrophobicContact CD1-CG2 3.59Å; F102-V106 HydrophobicContact CE1-CG2 3.79Å; F102-V106 WeakPolarHBondContact O-CG2 3.24Å; F102-V106 PolarHBondContact O-N 3.24Å; V106-F112 HydrophobicContact CB-CB 4.08Å; V106-F112 HydrophobicContact CB-CD2 4.34Å; V106-F112 HydrophobicContact CG1-CB 3.81Å; V106-F112 HydrophobicContact CG1-CD2 3.97Å; V106-F112 HydrophobicContact CG1-CG 4.4Å; V106-F112 HydrophobicContact CG2-CD2 4.37Å; V106-L180 HydrophobicContact CB-CD2 3.82Å; V106-L180 HydrophobicContact CG2-CD2 3.66Å
107	S	58.6	Low	64.8	Low	80 Å²	80	38 Å²	38	56%	0.559	20%	0.201	S	C	*	.			trans	-83.7	-26.8	-178.3	70	0	0	0	0	112.5	E111	S107-E111 PolarHBondContact N-OE2 2.97Å; S107-E111 PolarHBondContact OG-OE2 3.47Å
108	S	64.4	Low	66.1	Low	21 Å²	21	44.5 Å²	44.5	15%	0.147	22%	0.222	C	C	.	.	S	Bend	trans	-126.7	157.2	173.8	70.9	0	0	0	0	112.3	T110 E111 F112 E184	S108-T110 PolarHBondContact O-N 2.88Å; S108-T110 PolarHBondContact OG-N 3.5Å; S108-T110 PolarHBondContact OG-OG1 3.36Å; S108-E111 PolarHBondContact O-N 3.42Å; S108-E111 WeakPolarHBondContact OG-CG 3.39Å; S108-E111 PolarHBondContact OG-N 2.86Å; S108-E111 VanDerWaalsContact OG-N 3.1Å; S108-F112 PolarHBondContact O-N 3.13Å; S108-F112 VanDerWaalsContact O-N 3.12Å; S108-E184 VanDerWaalsContact CA-OE2 3.32Å; S108-E184 WeakPolarHBondContact CA-OE2 3.04Å; S108-E184 WeakPolarHBondContact CB-OE2 3.46Å
109	S	66.3	Low	67.2	Low	9 Å²	9	44.6 Å²	44.6	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-54.6	-37.8	168.7	46.7	0	0	0	0	112.4	F112 M113 E184 S245	S109-F112 WeakPolarHBondContact O-CB 3.45Å; S109-F112 PolarHBondContact O-N 2.91Å; S109-M113 WeakPolarHBondContact O-CG 3.31Å; S109-M113 PolarHBondContact O-N 3.33Å; S109-E184 PolarHBondContact N-OE2 3Å; S109-E184 PolarHBondContact OG-OE2 3.43Å; S109-S245 WeakPolarHBondContact CB-OG 3.48Å; S109-S245 PolarHBondContact OG-OG 3.12Å
110	T	68.9	Low	68.4	Low	45 Å²	45	43.8 Å²	43.8	28%	0.276	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-42.7	177.7	48.7	0	0	0	0	113.6	S108 F112 M113 A114 E244	S108-T110 PolarHBondContact O-N 2.88Å; S108-T110 PolarHBondContact OG-N 3.5Å; S108-T110 PolarHBondContact OG-OG1 3.36Å; T110-F112 VanDerWaalsContact C-N 3.3Å; T110-F112 PolarHBondContact O-N 2.94Å; T110-M113 PolarHBondContact O-N 2.92Å; T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 3.17Å; T110-E244 HydrophobicContact CG2-CB 4.12Å
111	E	73	Confident	69.4	Low	93 Å²	93	46 Å²	46	44%	0.435	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-39.4	175.1	-75.7	179.4	165.1	0	0	111.2	S107 S108 A115	S107-E111 PolarHBondContact N-OE2 2.97Å; S107-E111 PolarHBondContact OG-OE2 3.47Å; S108-E111 PolarHBondContact O-N 3.42Å; S108-E111 WeakPolarHBondContact OG-CG 3.39Å; S108-E111 PolarHBondContact OG-N 2.86Å; S108-E111 VanDerWaalsContact OG-N 3.1Å; E111-A115 WeakPolarHBondContact O-CB 3.26Å; E111-A115 PolarHBondContact O-N 3.17Å
112	F	74	Confident	70.3	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-49.1	176.2	175.3	-96.4	0	0	0	112.5	F102 V106 S108 S109 T110 A114 A115 W116 L173 M176 L180 L187	F102-F112 HydrophobicContact CE1-CE2 4.38Å; V106-F112 HydrophobicContact CB-CB 4.08Å; V106-F112 HydrophobicContact CB-CD2 4.34Å; V106-F112 HydrophobicContact CG1-CB 3.81Å; V106-F112 HydrophobicContact CG1-CD2 3.97Å; V106-F112 HydrophobicContact CG1-CG 4.4Å; V106-F112 HydrophobicContact CG2-CD2 4.37Å; S108-F112 PolarHBondContact O-N 3.13Å; S108-F112 VanDerWaalsContact O-N 3.12Å; S109-F112 WeakPolarHBondContact O-CB 3.45Å; S109-F112 PolarHBondContact O-N 2.91Å; T110-F112 VanDerWaalsContact C-N 3.3Å; T110-F112 PolarHBondContact O-N 2.94Å; F112-A114 VanDerWaalsContact C-N 3.34Å; F112-A114 PolarHBondContact O-N 3.26Å; F112-A115 CarbonylContact O-C 3.57Å; F112-A115 PolarHBondContact O-N 3.46Å; F112-W116 HydrophobicContact CE1-CE3 4.34Å; F112-W116 AromaticContact CZ-CE3 3.97Å; F112-W116 HydrophobicContact CZ-CE3 3.97Å; F112-W116 WeakPolarHBondContact O-CB 3.42Å; F112-W116 PolarHBondContact O-N 3.4Å; F112-L173 HydrophobicContact CE1-CD1 3.77Å; F112-L173 HydrophobicContact CZ-CD1 4.43Å; F112-M176 HydrophobicContact CE2-CB 4.39Å; F112-M176 HydrophobicContact CE2-CE 4.04Å; F112-M176 HydrophobicContact CE2-CG 3.74Å; F112-M176 HydrophobicContact CE2-SD 4.11Å; F112-M176 HydrophobicContact CZ-CB 3.9Å; F112-M176 HydrophobicContact CZ-CG 3.73Å; F112-M176 HydrophobicContact CZ-SD 4.12Å; F112-L180 HydrophobicContact CB-CD1 3.96Å; F112-L180 HydrophobicContact CB-CD2 3.79Å; F112-L180 HydrophobicContact CB-CG 4.44Å; F112-L180 HydrophobicContact CD1-CD1 3.74Å; F112-L180 HydrophobicContact CD1-CG 4.48Å; F112-L180 HydrophobicContact CD2-CD1 4.18Å; F112-L180 HydrophobicContact CD2-CD2 3.67Å; F112-L180 HydrophobicContact CD2-CG 4.07Å; F112-L180 HydrophobicContact CE1-CD1 4.26Å; F112-L180 HydrophobicContact CE2-CD2 4.44Å; F112-L180 HydrophobicContact CE2-CG 4.48Å; F112-L180 HydrophobicContact CG-CD1 3.68Å; F112-L180 HydrophobicContact CG-CD2 3.79Å; F112-L180 HydrophobicContact CG-CG 4.08Å; F112-L187 HydrophobicContact CE1-CD1 4.34Å
113	M	73.4	Confident	71	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-35.7	-178.6	-64.2	-61.4	-73.8	0	0	111.6	S109 T110 W116 R117 L173 F186 L187 S248 L249 V263	S109-M113 WeakPolarHBondContact O-CG 3.31Å; S109-M113 PolarHBondContact O-N 3.33Å; T110-M113 PolarHBondContact O-N 2.92Å; M113-W116 WeakPolarHBondContact O-CB 3.31Å; M113-W116 PolarHBondContact O-N 2.94Å; M113-R117 WeakPolarHBondContact O-CB 3.39Å; M113-R117 PolarHBondContact O-N 2.75Å; M113-L173 HydrophobicContact CE-CD1 4.25Å; M113-L173 HydrophobicContact CE-CD2 3.68Å; M113-L173 HydrophobicContact SD-CD1 3.83Å; M113-L173 HydrophobicContact SD-CD2 4.08Å; M113-L173 HydrophobicContact SD-CG 4.45Å; M113-F186 HydrophobicContact CE-CE1 4.27Å; M113-F186 HydrophobicContact CE-CZ 3.66Å; M113-F186 HydrophobicContact CG-CE1 3.94Å; M113-F186 HydrophobicContact CG-CZ 4.23Å; M113-F186 HydrophobicContact SD-CE1 3.76Å; M113-F186 HydrophobicContact SD-CZ 3.73Å; M113-L187 HydrophobicContact SD-CD1 4Å; M113-S248 WeakPolarHBondContact CB-OG 3.1Å; M113-L249 HydrophobicContact CB-CD2 4.32Å; M113-L249 HydrophobicContact CB-CG 4.43Å; M113-L249 HydrophobicContact CE-CD1 3.17Å; M113-L249 HydrophobicContact CE-CD2 3.67Å; M113-L249 HydrophobicContact CE-CG 3.27Å; M113-V263 HydrophobicContact CE-CG2 4.14Å
114	A	76.1	Confident	72	Confident	51 Å²	51	54.8 Å²	54.8	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-39.9	172	0	0	0	0	0	112.1	T110 F112 R118	T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 3.17Å; F112-A114 VanDerWaalsContact C-N 3.34Å; F112-A114 PolarHBondContact O-N 3.26Å; A114-R118 PolarHBondContact O-N 2.97Å
115	A	76.6	Confident	72.7	Confident	11 Å²	11	48.4 Å²	48.4	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-48.7	173.1	0	0	0	0	0	110.6	E111 F112 R117 R118 Y119 F135	E111-A115 WeakPolarHBondContact O-CB 3.26Å; E111-A115 PolarHBondContact O-N 3.17Å; F112-A115 CarbonylContact O-C 3.57Å; F112-A115 PolarHBondContact O-N 3.46Å; A115-R117 VanDerWaalsContact C-N 3.32Å; A115-R117 PolarHBondContact O-N 3.05Å; A115-R118 WeakPolarHBondContact O-CA 3.13Å; A115-R118 VanDerWaalsContact O-CB 3.31Å; A115-R118 WeakPolarHBondContact O-CB 3.08Å; A115-R118 PolarHBondContact O-N 3.11Å; A115-Y119 HydrophobicContact CB-CE2 4.47Å; A115-Y119 WeakPolarHBondContact O-CD2 3.44Å; A115-Y119 PolarHBondContact O-N 3.49Å; A115-Y119 VanDerWaalsContact O-N 3.13Å; A115-F135 HydrophobicContact CB-CE2 4.12Å
116	W	76.6	Confident	74	Confident	3 Å²	3	48.5 Å²	48.5	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-47.9	-55.5	176.5	179.5	-80.7	0	0	0	111	F112 M113 R118 Y119 D120 G125 I127 L171 G172 L173 M176	F112-W116 HydrophobicContact CE1-CE3 4.34Å; F112-W116 AromaticContact CZ-CE3 3.97Å; F112-W116 HydrophobicContact CZ-CE3 3.97Å; F112-W116 WeakPolarHBondContact O-CB 3.42Å; F112-W116 PolarHBondContact O-N 3.4Å; M113-W116 WeakPolarHBondContact O-CB 3.31Å; M113-W116 PolarHBondContact O-N 2.94Å; W116-R118 PolarHBondContact O-N 2.55Å; W116-R118 VanDerWaalsContact O-N 3.16Å; W116-Y119 PolarHBondContact O-N 3.09Å; W116-D120 PolarHBondContact NE1-OD2 2.83Å; W116-D120 VanDerWaalsContact NE1-OD2 3.15Å; W116-D120 VanDerWaalsContact O-CB 3.31Å; W116-D120 WeakPolarHBondContact O-CB 3.25Å; W116-D120 PolarHBondContact O-N 3.31Å; W116-G125 WeakPolarHBondContact CZ2-O 3.46Å; W116-I127 HydrophobicContact CD2-CD1 4.32Å; W116-I127 HydrophobicContact CD2-CG1 4.01Å; W116-I127 HydrophobicContact CE3-CD1 4.42Å; W116-I127 HydrophobicContact CE3-CG1 3.71Å; W116-I127 HydrophobicContact CH2-CB 4.27Å; W116-I127 HydrophobicContact CH2-CG1 3.54Å; W116-I127 HydrophobicContact CZ2-CG1 3.83Å; W116-I127 HydrophobicContact CZ3-CB 4.35Å; W116-I127 HydrophobicContact CZ3-CG1 3.47Å; W116-I127 VanDerWaalsContact CZ3-CG1 3.47Å; W116-L171 VanDerWaalsContact CH2-O 3.29Å; W116-L171 WeakPolarHBondContact CH2-O 2.93Å; W116-G172 VanDerWaalsContact CH2-C 3.41Å; W116-L173 HydrophobicContact CB-CD1 4.39Å; W116-L173 HydrophobicContact CD2-CD1 3.34Å; W116-L173 HydrophobicContact CE3-CD1 3.56Å; W116-L173 HydrophobicContact CG-CD1 3.7Å; W116-L173 HydrophobicContact CH2-CB 4.02Å; W116-L173 HydrophobicContact CH2-CD1 4.29Å; W116-L173 HydrophobicContact CZ2-CB 3.93Å; W116-L173 HydrophobicContact CZ2-CD1 4.13Å; W116-L173 HydrophobicContact CZ3-CB 4.44Å; W116-L173 HydrophobicContact CZ3-CD1 4.02Å; W116-M176 HydrophobicContact CE3-CB 4.32Å; W116-M176 HydrophobicContact CE3-CG 4.44Å; W116-M176 HydrophobicContact CE3-SD 3.45Å; W116-M176 HydrophobicContact CH2-SD 4.48Å; W116-M176 HydrophobicContact CZ3-CB 3.6Å; W116-M176 HydrophobicContact CZ3-CG 4.05Å; W116-M176 HydrophobicContact CZ3-SD 3.27Å; W116-M176 WeakPolarHBondContact CZ3-SD 3.38Å
117	R	78.1	Confident	75.1	Confident	67 Å²	67	48.5 Å²	48.5	25%	0.253	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-28.2	179.8	-172.3	175.6	-173.6	-135.2	-6.8	114.1	M113 A115 L249 S250 D251 E259	M113-R117 WeakPolarHBondContact O-CB 3.39Å; M113-R117 PolarHBondContact O-N 2.75Å; A115-R117 VanDerWaalsContact C-N 3.32Å; A115-R117 PolarHBondContact O-N 3.05Å; R117-L249 HydrophobicContact CB-CD2 4.25Å; R117-L249 VanDerWaalsContact CD-O 3.26Å; R117-L249 WeakPolarHBondContact CD-O 3.5Å; R117-L249 PolarHBondContact NE-O 3.31Å; R117-S250 PolarHBondContact NH1-O 3.28Å; R117-D251 IonicContact CZ-OD1 3.92Å; R117-D251 IonicContact NH2-OD1 3.94Å; R117-D251 PolarHBondContact NH2-OD1 3.22Å; R117-D251 IonicContact NH2-OD2 3.77Å; R117-D251 PolarHBondContact NH2-OD2 3.39Å; R117-E259 IonicContact NE-OE1 2.96Å; R117-E259 IonicContact NH2-OE1 2.79Å
118	R	81.1	Confident	76.3	Confident	175 Å²	175	48.8 Å²	48.8	66%	0.66	24%	0.244	S	C	*	.	H	α-helix	trans	-74	-33.8	177.6	179.7	-177.8	174.2	119.1	-0.5	112	A114 A115 W116	A114-R118 PolarHBondContact O-N 2.97Å; A115-R118 WeakPolarHBondContact O-CA 3.13Å; A115-R118 VanDerWaalsContact O-CB 3.31Å; A115-R118 WeakPolarHBondContact O-CB 3.08Å; A115-R118 PolarHBondContact O-N 3.11Å; W116-R118 PolarHBondContact O-N 2.55Å; W116-R118 VanDerWaalsContact O-N 3.16Å
119	Y	80.8	Confident	77.3	Confident	21 Å²	21	49.6 Å²	49.6	8%	0.082	25%	0.252	C	S	.	.	H	α-helix	trans	-98.4	-25.9	-176.5	-64.9	-80.2	0	0	0	113.7	A115 W116 T121 E131 F135 D138	A115-Y119 HydrophobicContact CB-CE2 4.47Å; A115-Y119 WeakPolarHBondContact O-CD2 3.44Å; A115-Y119 PolarHBondContact O-N 3.49Å; A115-Y119 VanDerWaalsContact O-N 3.13Å; W116-Y119 PolarHBondContact O-N 3.09Å; Y119-T121 PolarHBondContact O-N 3.29Å; Y119-E131 WeakPolarHBondContact O-CB 3.33Å; Y119-E131 WeakPolarHBondContact O-CG 3.31Å; Y119-F135 HydrophobicContact CD1-CB 3.91Å; Y119-F135 HydrophobicContact CD2-CB 4.03Å; Y119-F135 AromaticContact CD2-CD2 3.45Å; Y119-F135 HydrophobicContact CD2-CD2 3.45Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.45Å; Y119-F135 HydrophobicContact CD2-CE2 4.4Å; Y119-F135 HydrophobicContact CD2-CG 4.22Å; Y119-F135 VanDerWaalsContact CE1-CA 3.45Å; Y119-F135 HydrophobicContact CE1-CB 4.13Å; Y119-F135 HydrophobicContact CE2-CB 4.23Å; Y119-F135 AromaticContact CE2-CD2 3.46Å; Y119-F135 HydrophobicContact CE2-CD2 3.46Å; Y119-F135 VanDerWaalsContact CE2-CD2 3.46Å; Y119-F135 HydrophobicContact CE2-CE2 4.25Å; Y119-F135 HydrophobicContact CE2-CG 4.27Å; Y119-F135 HydrophobicContact CG-CB 3.88Å; Y119-F135 HydrophobicContact CG-CD2 4.16Å; Y119-D138 WeakPolarHBondContact OH-CB 3.21Å; Y119-D138 PolarHBondContact OH-OD2 3.44Å
120	D	81.7	Confident	78.1	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.043	28%	0.282	C	S	.	.			trans	-73.4	73.1	166.6	-178.4	2	0	0	0	108.7	W116 D122 R123 S124 G125 I127	W116-D120 PolarHBondContact NE1-OD2 2.83Å; W116-D120 VanDerWaalsContact NE1-OD2 3.15Å; W116-D120 VanDerWaalsContact O-CB 3.31Å; W116-D120 WeakPolarHBondContact O-CB 3.25Å; W116-D120 PolarHBondContact O-N 3.31Å; D120-D122 VanDerWaalsContact C-N 3.32Å; D120-D122 PolarHBondContact O-N 3Å; D120-R123 PolarHBondContact O-N 3Å; D120-R123 WeakPolarHBondContact OD1-CA 3.4Å; D120-R123 PolarHBondContact OD1-N 2.83Å; D120-S124 PolarHBondContact OD1-N 3.24Å; D120-S124 PolarHBondContact OD1-OG 3.04Å; D120-G125 PolarHBondContact OD1-N 2.9Å; D120-G125 VanDerWaalsContact OD2-CA 3.31Å; D120-G125 WeakPolarHBondContact OD2-CA 3.43Å; D120-G125 PolarHBondContact OD2-N 3.36Å; D120-I127 HydrophobicContact CB-CD1 3.79Å
121	T	76.3	Confident	79	Confident	111 Å²	111	54.2 Å²	54.2	68%	0.681	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-29.7	-168.2	50.1	0	0	0	0	112.6	Y119 R123 E131	Y119-T121 PolarHBondContact O-N 3.29Å; T121-R123 VanDerWaalsContact C-N 3.34Å; T121-E131 PolarHBondContact N-OE1 2.91Å; T121-E131 PolarHBondContact OG1-OE1 3.29Å
122	D	78.4	Confident	79.4	Confident	91 Å²	91	49.8 Å²	49.8	49%	0.487	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-2.6	177.9	70.4	-6.8	0	0	0	113.1	D120 S124	D120-D122 VanDerWaalsContact C-N 3.32Å; D120-D122 PolarHBondContact O-N 3Å; D122-S124 PolarHBondContact O-N 3.23Å; D122-S124 WeakPolarHBondContact OD1-CB 3.17Å; D122-S124 PolarHBondContact OD1-N 3.41Å; D122-S124 PolarHBondContact OD1-OG 3.36Å; D122-S124 WeakPolarHBondContact OD2-CB 3.44Å
123	R	73.3	Confident	79.9	Confident	128 Å²	128	52.9 Å²	52.9	48%	0.483	27%	0.266	S	S	.	.			trans	54	32.9	-175.3	-54.4	-174.1	-176.3	-167.6	4	111.2	D120 T121 G125 D251 E259	D120-R123 PolarHBondContact O-N 3Å; D120-R123 WeakPolarHBondContact OD1-CA 3.4Å; D120-R123 PolarHBondContact OD1-N 2.83Å; T121-R123 VanDerWaalsContact C-N 3.34Å; R123-G125 PolarHBondContact O-N 2.94Å; R123-D251 IonicContact CZ-OD2 3.93Å; R123-D251 IonicContact NH1-OD2 3.35Å; R123-D251 IonicContact NH2-OD2 3.62Å; R123-D251 PolarHBondContact NH2-OD2 2.94Å; R123-E259 IonicContact NH1-OE1 3.77Å; R123-E259 PolarHBondContact NH1-OE1 3.44Å
124	S	77.8	Confident	80.4	Confident	47 Å²	47	54.2 Å²	54.2	33%	0.329	28%	0.281	S	S	.	.			trans	-68.9	-19.4	177.1	62.5	0	0	0	0	111.9	D120 D122 Y126	D120-S124 PolarHBondContact OD1-N 3.24Å; D120-S124 PolarHBondContact OD1-OG 3.04Å; D122-S124 PolarHBondContact O-N 3.23Å; D122-S124 WeakPolarHBondContact OD1-CB 3.17Å; D122-S124 PolarHBondContact OD1-N 3.41Å; D122-S124 PolarHBondContact OD1-OG 3.36Å; D122-S124 WeakPolarHBondContact OD2-CB 3.44Å; S124-Y126 VanDerWaalsContact C-N 3.26Å; S124-Y126 VanDerWaalsContact O-CD2 3.32Å; S124-Y126 WeakPolarHBondContact O-CD2 3.28Å; S124-Y126 PolarHBondContact OG-N 2.97Å; S124-Y126 PolarHBondContact OG-O 3.46Å
125	G	75.4	Confident	80.5	Confident	6 Å²	6	51.9 Å²	51.9	6%	0.062	26%	0.261	C	S	.	.	S	Bend	trans	81.2	11.2	-173.3	0	0	0	0	0	113.6	W116 D120 R123	W116-G125 WeakPolarHBondContact CZ2-O 3.46Å; D120-G125 PolarHBondContact OD1-N 2.9Å; D120-G125 VanDerWaalsContact OD2-CA 3.31Å; D120-G125 WeakPolarHBondContact OD2-CA 3.43Å; D120-G125 PolarHBondContact OD2-N 3.36Å; R123-G125 PolarHBondContact O-N 2.94Å
126	Y	82.4	Confident	80.6	Confident	49 Å²	49	51.5 Å²	51.5	19%	0.192	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148	177.3	-62.7	-84.1	0	0	0	109.2	S124 K170 L171 E267	S124-Y126 VanDerWaalsContact C-N 3.26Å; S124-Y126 VanDerWaalsContact O-CD2 3.32Å; S124-Y126 WeakPolarHBondContact O-CD2 3.28Å; S124-Y126 PolarHBondContact OG-N 2.97Å; S124-Y126 PolarHBondContact OG-O 3.46Å; Y126-K170 HydrophobicContact CD1-CD 3.66Å; Y126-K170 HydrophobicContact CD1-CG 3.98Å; Y126-K170 HydrophobicContact CD2-CD 4.13Å; Y126-K170 HydrophobicContact CE1-CD 4.31Å; Y126-K170 VanDerWaalsContact CE2-NZ 3.26Å; Y126-K170 HydrophobicContact CG-CD 3.57Å; Y126-K170 HydrophobicContact CG-CG 4.24Å; Y126-L171 CarbonylContact C-O 3.52Å; Y126-L171 WeakPolarHBondContact CA-O 2.78Å; Y126-E267 PolarHBondContact OH-OE2 2.7Å
127	I	82.9	Confident	80.9	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.9	170.6	-63.7	-66.9	0	0	0	107.6	W116 D120 E131 L132 L171 M176	W116-I127 HydrophobicContact CD2-CD1 4.32Å; W116-I127 HydrophobicContact CD2-CG1 4.01Å; W116-I127 HydrophobicContact CE3-CD1 4.42Å; W116-I127 HydrophobicContact CE3-CG1 3.71Å; W116-I127 HydrophobicContact CH2-CB 4.27Å; W116-I127 HydrophobicContact CH2-CG1 3.54Å; W116-I127 HydrophobicContact CZ2-CG1 3.83Å; W116-I127 HydrophobicContact CZ3-CB 4.35Å; W116-I127 HydrophobicContact CZ3-CG1 3.47Å; W116-I127 VanDerWaalsContact CZ3-CG1 3.47Å; D120-I127 HydrophobicContact CB-CD1 3.79Å; I127-E131 HydrophobicContact CG2-CB 3.95Å; I127-L132 HydrophobicContact CG2-CB 3.79Å; I127-L132 HydrophobicContact CG2-CD1 4.49Å; I127-L171 HydrophobicContact CB-CB 4.41Å; I127-L171 PolarHBondContact N-O 3.14Å; I127-L171 PolarHBondContact O-N 2.74Å; I127-M176 HydrophobicContact CG1-SD 4.15Å
128	E	85.7	Confident	80.9	Confident	87 Å²	87	51.6 Å²	51.6	41%	0.407	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	164.6	175.5	-64	-170.3	167.7	0	0	111.7	N130 E131 L132	E128-N130 PolarHBondContact O-N 3.27Å; E128-N130 VanDerWaalsContact O-N 3.1Å; E128-E131 PolarHBondContact N-OE2 3.29Å; E128-E131 VanDerWaalsContact N-OE2 3.07Å; E128-E131 PolarHBondContact O-N 2.96Å; E128-L132 WeakPolarHBondContact O-CB 3.42Å; E128-L132 PolarHBondContact O-N 2.75Å
129	A	84.3	Confident	80.6	Confident	38 Å²	38	43.4 Å²	43.4	31%	0.314	23%	0.234	S	C	.	.	H	α-helix	trans	-52.9	-36	178.4	0	0	0	0	0	113.6	K133 T156 L160	A129-K133 WeakPolarHBondContact O-CB 3.3Å; A129-K133 PolarHBondContact O-N 3.36Å; A129-T156 HydrophobicContact CB-CG2 4.32Å; A129-T156 WeakPolarHBondContact O-CG2 3.33Å; A129-L160 HydrophobicContact CB-CD1 3.7Å
130	N	84.1	Confident	80.3	Confident	128 Å²	128	42.8 Å²	42.8	68%	0.684	23%	0.232	S	C	*	.	H	α-helix	trans	-70.4	-41.3	178.5	-66.1	-36.7	0	0	0	112.1	E128 K133 G134	E128-N130 PolarHBondContact O-N 3.27Å; E128-N130 VanDerWaalsContact O-N 3.1Å; N130-K133 WeakPolarHBondContact O-CB 3.42Å; N130-K133 PolarHBondContact O-N 3.1Å; N130-G134 PolarHBondContact O-N 3.25Å; N130-G134 VanDerWaalsContact O-N 3.14Å
131	E	86.5	Confident	80.2	Confident	23 Å²	23	48 Å²	48	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-39.7	177.7	-65.4	178.2	135.7	0	0	110.9	Y119 T121 I127 E128 K133 G134 F135	Y119-E131 WeakPolarHBondContact O-CB 3.33Å; Y119-E131 WeakPolarHBondContact O-CG 3.31Å; T121-E131 PolarHBondContact N-OE1 2.91Å; T121-E131 PolarHBondContact OG1-OE1 3.29Å; I127-E131 HydrophobicContact CG2-CB 3.95Å; E128-E131 PolarHBondContact N-OE2 3.29Å; E128-E131 VanDerWaalsContact N-OE2 3.07Å; E128-E131 PolarHBondContact O-N 2.96Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 2.91Å; E131-G134 PolarHBondContact O-N 2.72Å; E131-F135 PolarHBondContact O-N 3.02Å
132	L	82.8	Confident	79.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-39.7	172.3	-176	59.8	0	0	0	111.7	I127 E128 G134 F135 L136 T156 I159 L160 L171	I127-L132 HydrophobicContact CG2-CB 3.79Å; I127-L132 HydrophobicContact CG2-CD1 4.49Å; E128-L132 WeakPolarHBondContact O-CB 3.42Å; E128-L132 PolarHBondContact O-N 2.75Å; L132-G134 VanDerWaalsContact C-N 3.33Å; L132-G134 PolarHBondContact O-N 3.12Å; L132-F135 HydrophobicContact CD1-CD1 4.36Å; L132-F135 PolarHBondContact O-N 3.29Å; L132-L136 HydrophobicContact CD1-CD1 4.36Å; L132-L136 HydrophobicContact CD1-CG 4.24Å; L132-L136 HydrophobicContact CG-CD1 4.09Å; L132-L136 HydrophobicContact CG-CG 4.4Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.34Å; L132-L136 PolarHBondContact O-N 2.9Å; L132-T156 HydrophobicContact CB-CG2 4.24Å; L132-T156 HydrophobicContact CD2-CG2 3.93Å; L132-T156 HydrophobicContact CG-CG2 4.16Å; L132-I159 HydrophobicContact CD1-CG2 4.22Å; L132-I159 HydrophobicContact CD2-CB 4.03Å; L132-I159 HydrophobicContact CD2-CG2 3.76Å; L132-L160 HydrophobicContact CD2-CD2 4.26Å; L132-L160 HydrophobicContact CD2-CG 3.92Å; L132-L171 HydrophobicContact CD1-CD1 4.16Å; L132-L171 HydrophobicContact CD2-CD1 3.83Å
133	K	84.4	Confident	79.3	Confident	65 Å²	65	46.5 Å²	46.5	28%	0.283	24%	0.243	S	C	.	.	H	α-helix	trans	-60.3	-44.1	174.5	-173.2	-179.2	179.1	-176.9	0	110.8	A129 N130 E131 L136 S137 E149 L152	A129-K133 WeakPolarHBondContact O-CB 3.3Å; A129-K133 PolarHBondContact O-N 3.36Å; N130-K133 WeakPolarHBondContact O-CB 3.42Å; N130-K133 PolarHBondContact O-N 3.1Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 2.91Å; K133-L136 PolarHBondContact O-N 3.4Å; K133-S137 VanDerWaalsContact O-CB 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.17Å; K133-S137 PolarHBondContact O-N 3.33Å; K133-E149 IonicContact NZ-OE1 3.38Å; K133-E149 PolarHBondContact NZ-OE1 2.69Å; K133-L152 HydrophobicContact CD-CD2 4.26Å; K133-L152 HydrophobicContact CG-CD2 3.56Å; K133-L152 HydrophobicContact CG-CG 3.86Å
134	G	82.4	Confident	79.1	Confident	29 Å²	29	47.7 Å²	47.7	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-45.2	175	0	0	0	0	0	112.9	N130 E131 L132 L136 S137 D138	N130-G134 PolarHBondContact O-N 3.25Å; N130-G134 VanDerWaalsContact O-N 3.14Å; E131-G134 PolarHBondContact O-N 2.72Å; L132-G134 VanDerWaalsContact C-N 3.33Å; L132-G134 PolarHBondContact O-N 3.12Å; G134-L136 PolarHBondContact O-N 3.01Å; G134-S137 WeakPolarHBondContact O-CB 3.02Å; G134-S137 PolarHBondContact O-N 2.86Å; G134-D138 PolarHBondContact O-N 3.31Å; G134-D138 VanDerWaalsContact O-N 3.09Å
135	F	79.8	Confident	78.7	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-48.7	174.7	173.1	-86	0	0	0	111.8	F102 F105 A115 Y119 E131 L132 S137 D138 L139 M176	F102-F135 AromaticContact CD2-CE1 3.63Å; F102-F135 HydrophobicContact CD2-CE1 3.63Å; F102-F135 HydrophobicContact CD2-CZ 4.23Å; F102-F135 HydrophobicContact CE1-CZ 4.34Å; F102-F135 AromaticContact CE2-CD1 3.95Å; F102-F135 HydrophobicContact CE2-CD1 3.95Å; F102-F135 AromaticContact CE2-CE1 3.07Å; F102-F135 HydrophobicContact CE2-CE1 3.07Å; F102-F135 AromaticContact CE2-CZ 3.66Å; F102-F135 HydrophobicContact CE2-CZ 3.66Å; F102-F135 AromaticContact CZ-CE1 3.61Å; F102-F135 HydrophobicContact CZ-CE1 3.61Å; F102-F135 AromaticContact CZ-CZ 3.72Å; F102-F135 HydrophobicContact CZ-CZ 3.72Å; F105-F135 HydrophobicContact CD1-CE2 4.28Å; F105-F135 HydrophobicContact CD1-CZ 4.13Å; F105-F135 HydrophobicContact CE1-CE2 4.22Å; A115-F135 HydrophobicContact CB-CE2 4.12Å; Y119-F135 HydrophobicContact CD1-CB 3.91Å; Y119-F135 HydrophobicContact CD2-CB 4.03Å; Y119-F135 AromaticContact CD2-CD2 3.45Å; Y119-F135 HydrophobicContact CD2-CD2 3.45Å; Y119-F135 VanDerWaalsContact CD2-CD2 3.45Å; Y119-F135 HydrophobicContact CD2-CE2 4.4Å; Y119-F135 HydrophobicContact CD2-CG 4.22Å; Y119-F135 VanDerWaalsContact CE1-CA 3.45Å; Y119-F135 HydrophobicContact CE1-CB 4.13Å; Y119-F135 HydrophobicContact CE2-CB 4.23Å; Y119-F135 AromaticContact CE2-CD2 3.46Å; Y119-F135 HydrophobicContact CE2-CD2 3.46Å; Y119-F135 VanDerWaalsContact CE2-CD2 3.46Å; Y119-F135 HydrophobicContact CE2-CE2 4.25Å; Y119-F135 HydrophobicContact CE2-CG 4.27Å; Y119-F135 HydrophobicContact CG-CB 3.88Å; Y119-F135 HydrophobicContact CG-CD2 4.16Å; E131-F135 PolarHBondContact O-N 3.02Å; L132-F135 HydrophobicContact CD1-CD1 4.36Å; L132-F135 PolarHBondContact O-N 3.29Å; F135-S137 VanDerWaalsContact C-N 3.35Å; F135-S137 PolarHBondContact O-N 2.61Å; F135-D138 PolarHBondContact O-N 3.37Å; F135-L139 HydrophobicContact CD1-CD1 4.4Å; F135-L139 HydrophobicContact CE1-CD1 3.43Å; F135-L139 VanDerWaalsContact CE1-CD1 3.43Å; F135-L139 HydrophobicContact CZ-CD1 3.64Å; F135-L139 WeakPolarHBondContact O-CB 3.42Å; F135-L139 PolarHBondContact O-N 3.01Å; F135-M176 HydrophobicContact CD1-CE 4.31Å; F135-M176 HydrophobicContact CD2-CE 4.25Å; F135-M176 HydrophobicContact CE1-CE 4.2Å; F135-M176 HydrophobicContact CE2-CE 4.11Å; F135-M176 HydrophobicContact CG-CE 4.37Å; F135-M176 HydrophobicContact CZ-CE 4.08Å
136	L	78.3	Confident	78.6	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-36.3	-179.6	-71.6	174.4	0	0	0	112.4	F98 L132 K133 G134 L139 L140 L152 I159	F98-L136 HydrophobicContact CE2-CD2 4.12Å; L132-L136 HydrophobicContact CD1-CD1 4.36Å; L132-L136 HydrophobicContact CD1-CG 4.24Å; L132-L136 HydrophobicContact CG-CD1 4.09Å; L132-L136 HydrophobicContact CG-CG 4.4Å; L132-L136 WeakPolarHBondContact O-CB 3.43Å; L132-L136 VanDerWaalsContact O-CG 3.26Å; L132-L136 WeakPolarHBondContact O-CG 3.34Å; L132-L136 PolarHBondContact O-N 2.9Å; K133-L136 PolarHBondContact O-N 3.4Å; G134-L136 PolarHBondContact O-N 3.01Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-L140 WeakPolarHBondContact O-CB 3.18Å; L136-L140 WeakPolarHBondContact O-CG 3.19Å; L136-L140 PolarHBondContact O-N 2.84Å; L136-L152 HydrophobicContact CB-CD1 3.57Å; L136-I159 HydrophobicContact CD1-CD1 4.2Å; L136-I159 HydrophobicContact CD2-CD1 3.77Å; L136-I159 HydrophobicContact CG-CD1 4.46Å
137	S	82.4	Confident	78.2	Confident	25 Å²	25	56.8 Å²	56.8	18%	0.175	29%	0.291	C	S	.	.	H	α-helix	trans	-57.7	-55.8	174.7	-169.5	0	0	0	0	110.8	K133 G134 F135 L139 L140 E141 Y147	K133-S137 VanDerWaalsContact O-CB 3.31Å; K133-S137 WeakPolarHBondContact O-CB 3.17Å; K133-S137 PolarHBondContact O-N 3.33Å; G134-S137 WeakPolarHBondContact O-CB 3.02Å; G134-S137 PolarHBondContact O-N 2.86Å; F135-S137 VanDerWaalsContact C-N 3.35Å; F135-S137 PolarHBondContact O-N 2.61Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.38Å; S137-L140 PolarHBondContact O-N 3.44Å; S137-E141 WeakPolarHBondContact O-CG 3.48Å; S137-E141 PolarHBondContact O-N 3.13Å; S137-Y147 PolarHBondContact OG-OH 2.67Å
138	D	79.1	Confident	78.1	Confident	47 Å²	47	60.9 Å²	60.9	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-36.1	180	-77.7	6.7	0	0	0	112.1	Y119 G134 F135 K142	Y119-D138 WeakPolarHBondContact OH-CB 3.21Å; Y119-D138 PolarHBondContact OH-OD2 3.44Å; G134-D138 PolarHBondContact O-N 3.31Å; G134-D138 VanDerWaalsContact O-N 3.09Å; F135-D138 PolarHBondContact O-N 3.37Å; D138-K142 WeakPolarHBondContact O-CB 3.26Å; D138-K142 WeakPolarHBondContact O-CG 3.23Å; D138-K142 PolarHBondContact O-N 2.9Å
139	L	74.9	Confident	78	Confident	4 Å²	4	63.1 Å²	63.1	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-68.5	-44.3	178.9	-175.2	153.2	0	0	0	111.8	C101 F102 F105 F135 L136 S137 K142 A143	C101-L139 HydrophobicContact CB-CD2 3.45Å; C101-L139 VanDerWaalsContact CB-CD2 3.45Å; F102-L139 HydrophobicContact CD2-CD1 4.1Å; F102-L139 HydrophobicContact CG-CD1 4.4Å; F105-L139 HydrophobicContact CB-CD1 3.67Å; F105-L139 HydrophobicContact CB-CG 3.86Å; F105-L139 HydrophobicContact CD1-CB 4.45Å; F105-L139 HydrophobicContact CD1-CD1 3.73Å; F105-L139 HydrophobicContact CD1-CG 4.11Å; F105-L139 HydrophobicContact CG-CD1 3.9Å; F105-L139 HydrophobicContact CG-CG 3.95Å; F135-L139 HydrophobicContact CD1-CD1 4.4Å; F135-L139 HydrophobicContact CE1-CD1 3.43Å; F135-L139 VanDerWaalsContact CE1-CD1 3.43Å; F135-L139 HydrophobicContact CZ-CD1 3.64Å; F135-L139 WeakPolarHBondContact O-CB 3.42Å; F135-L139 PolarHBondContact O-N 3.01Å; L136-L139 PolarHBondContact O-N 3.45Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.38Å; L139-K142 PolarHBondContact O-N 3.21Å; L139-A143 WeakPolarHBondContact O-CB 3.33Å; L139-A143 PolarHBondContact O-N 2.88Å
140	L	74.6	Confident	77.9	Confident	7 Å²	7	68.9 Å²	68.9	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-68.1	-38.3	176.7	-70	168.8	0	0	0	111.5	L136 S137 A143 N144 R145 Y147 L152 Y155	L136-L140 WeakPolarHBondContact O-CB 3.18Å; L136-L140 WeakPolarHBondContact O-CG 3.19Å; L136-L140 PolarHBondContact O-N 2.84Å; S137-L140 PolarHBondContact O-N 3.44Å; L140-A143 CarbonylContact O-C 3.56Å; L140-A143 PolarHBondContact O-N 3.49Å; L140-N144 PolarHBondContact O-N 3.12Å; L140-R145 HydrophobicContact CB-CB 4.28Å; L140-R145 HydrophobicContact CD2-CB 4.04Å; L140-R145 HydrophobicContact CD2-CG 4.3Å; L140-R145 WeakPolarHBondContact O-CB 3.47Å; L140-R145 PolarHBondContact O-N 3.48Å; L140-Y147 HydrophobicContact CB-CD1 3.48Å; L140-Y147 VanDerWaalsContact CB-CD1 3.48Å; L140-Y147 HydrophobicContact CB-CE1 3.82Å; L140-Y147 HydrophobicContact CB-CG 4.24Å; L140-Y147 HydrophobicContact CD1-CD1 3.92Å; L140-Y147 HydrophobicContact CD1-CD2 4.4Å; L140-Y147 HydrophobicContact CD1-CG 3.8Å; L140-Y147 HydrophobicContact CG-CD1 4.32Å; L140-L152 HydrophobicContact CD1-CD1 3.99Å; L140-Y155 HydrophobicContact CD1-CD2 3.98Å; L140-Y155 HydrophobicContact CD1-CE2 4.12Å; L140-Y155 HydrophobicContact CD2-CE2 4.46Å
141	E	77.8	Confident	77.5	Confident	117 Å²	117	67.5 Å²	67.5	55%	0.547	33%	0.332	S	S	.	.	H	α-helix	trans	-60.3	-46.8	173.1	-76	-175.5	-171.8	0	0	111.9	S137 A143 N144 Y147	S137-E141 WeakPolarHBondContact O-CG 3.48Å; S137-E141 PolarHBondContact O-N 3.13Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 3.44Å; E141-N144 WeakPolarHBondContact O-CA 3.37Å; E141-N144 PolarHBondContact O-N 2.91Å; E141-Y147 HydrophobicContact CG-CE1 3.89Å; E141-Y147 PolarHBondContact OE1-OH 3.46Å; E141-Y147 VanDerWaalsContact OE1-OH 3.1Å
142	K	70.1	Confident	77.3	Confident	135 Å²	135	66.8 Å²	66.8	59%	0.587	33%	0.329	S	S	*	.	H	α-helix	trans	-65.6	-33.2	176.6	-76.5	179.2	-177	172.1	0	113.3	F105 D138 L139 N144	F105-K142 HydrophobicContact CD2-CD 3.93Å; F105-K142 HydrophobicContact CE2-CD 3.18Å; F105-K142 VanDerWaalsContact CE2-NZ 3.27Å; F105-K142 HydrophobicContact CZ-CD 3.87Å; D138-K142 WeakPolarHBondContact O-CB 3.26Å; D138-K142 WeakPolarHBondContact O-CG 3.23Å; D138-K142 PolarHBondContact O-N 2.9Å; L139-K142 PolarHBondContact O-N 3.21Å; K142-N144 PolarHBondContact O-N 3.01Å
143	A	66.1	Low	77.3	Confident	36 Å²	36	72.8 Å²	72.8	30%	0.298	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	2.5	172.4	0	0	0	0	0	113.2	L139 L140 E141 R145	L139-A143 WeakPolarHBondContact O-CB 3.33Å; L139-A143 PolarHBondContact O-N 2.88Å; L140-A143 CarbonylContact O-C 3.56Å; L140-A143 PolarHBondContact O-N 3.49Å; E141-A143 VanDerWaalsContact C-N 3.31Å; E141-A143 PolarHBondContact O-N 3.44Å; A143-R145 HydrophobicContact CB-CG 3.9Å; A143-R145 PolarHBondContact O-N 3.45Å
144	N	70.1	Confident	77.1	Confident	153 Å²	153	74.2 Å²	74.2	82%	0.818	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	37.8	-175.2	-160.5	43.9	0	0	0	112.1	L140 E141 K142	L140-N144 PolarHBondContact O-N 3.12Å; E141-N144 WeakPolarHBondContact O-CA 3.37Å; E141-N144 PolarHBondContact O-N 2.91Å; K142-N144 PolarHBondContact O-N 3.01Å
145	R	69.4	Low	76.8	Confident	71 Å²	71	74.9 Å²	74.9	27%	0.268	36%	0.358	S	S	.	.			trans	-95	128.8	179.9	-75.7	-78	175.3	83.7	37.6	110	E96 N97 C101 L140 A143 Y147	E96-R145 PolarHBondContact O-NH1 3.39Å; N97-R145 VanDerWaalsContact ND2-CZ 3.29Å; N97-R145 PolarHBondContact ND2-NH2 3.06Å; C101-R145 PolarHBondContact SG-NH2 2.75Å; L140-R145 HydrophobicContact CB-CB 4.28Å; L140-R145 HydrophobicContact CD2-CB 4.04Å; L140-R145 HydrophobicContact CD2-CG 4.3Å; L140-R145 WeakPolarHBondContact O-CB 3.47Å; L140-R145 PolarHBondContact O-N 3.48Å; A143-R145 HydrophobicContact CB-CG 3.9Å; A143-R145 PolarHBondContact O-N 3.45Å; R145-Y147 WeakPolarHBondContact O-CD1 3.31Å
146	H	71.7	Confident	76.9	Confident	170 Å²	170	75.3 Å²	75.3	79%	0.787	36%	0.361	S	S	*	.			trans	-74.1	127.5	165.3	-161.4	-70	0	0	0	109.3	D148	H146-D148 IonicContact CE1-OD1 2.74Å; H146-D148 IonicContact ND1-OD1 3.09Å
147	Y	74.3	Confident	77	Confident	53 Å²	53	79.5 Å²	79.5	21%	0.208	38%	0.38	C	S	.	.			trans	-134.4	151.7	175.3	63.8	-87.4	0	0	0	109.7	S137 L140 E141 R145 L152	S137-Y147 PolarHBondContact OG-OH 2.67Å; L140-Y147 HydrophobicContact CB-CD1 3.48Å; L140-Y147 VanDerWaalsContact CB-CD1 3.48Å; L140-Y147 HydrophobicContact CB-CE1 3.82Å; L140-Y147 HydrophobicContact CB-CG 4.24Å; L140-Y147 HydrophobicContact CD1-CD1 3.92Å; L140-Y147 HydrophobicContact CD1-CD2 4.4Å; L140-Y147 HydrophobicContact CD1-CG 3.8Å; L140-Y147 HydrophobicContact CG-CD1 4.32Å; E141-Y147 HydrophobicContact CG-CE1 3.89Å; E141-Y147 PolarHBondContact OE1-OH 3.46Å; E141-Y147 VanDerWaalsContact OE1-OH 3.1Å; R145-Y147 WeakPolarHBondContact O-CD1 3.31Å; Y147-L152 HydrophobicContact CD2-CB 4.08Å; Y147-L152 HydrophobicContact CD2-CD2 4.31Å; Y147-L152 HydrophobicContact CE2-CD2 3.98Å
148	D	82.2	Confident	76.7	Confident	86 Å²	86	78.7 Å²	78.7	46%	0.46	38%	0.375	S	S	.	.			trans	-106.7	159.5	172	-56.9	-44.6	0	0	0	108.8	H146 Q150 K151 L152	H146-D148 IonicContact CE1-OD1 2.74Å; H146-D148 IonicContact ND1-OD1 3.09Å; D148-Q150 PolarHBondContact O-N 3.47Å; D148-Q150 VanDerWaalsContact O-N 3.17Å; D148-K151 PolarHBondContact O-N 3.49Å; D148-L152 PolarHBondContact O-N 3.03Å
149	E	82.2	Confident	76.6	Confident	134 Å²	134	76.5 Å²	76.5	63%	0.626	36%	0.363	S	S	*	.	H	α-helix	trans	-56.9	-35.5	-179.4	-178.6	160.9	-143.7	0	0	112.6	K133 L152 Q153	K133-E149 IonicContact NZ-OE1 3.38Å; K133-E149 PolarHBondContact NZ-OE1 2.69Å; E149-L152 PolarHBondContact O-N 3.01Å; E149-Q153 WeakPolarHBondContact O-CB 3.19Å; E149-Q153 PolarHBondContact O-N 2.93Å
150	Q	81.8	Confident	76.8	Confident	160 Å²	160	76.8 Å²	76.8	75%	0.748	36%	0.364	S	S	*	.	H	α-helix	trans	-65.5	-41	177.3	-168.3	177.4	-7.3	0	0	112.4	D148 Q153 E154	D148-Q150 PolarHBondContact O-N 3.47Å; D148-Q150 VanDerWaalsContact O-N 3.17Å; Q150-Q153 PolarHBondContact O-N 3.31Å; Q150-E154 WeakPolarHBondContact O-CB 3.36Å; Q150-E154 PolarHBondContact O-N 3Å
151	K	77.6	Confident	76.8	Confident	99 Å²	99	83.8 Å²	83.8	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-68.5	-41.5	175.8	-74	-173.6	175.1	-177.4	0	111.3	D148 Q153 E154 Y155	D148-K151 PolarHBondContact O-N 3.49Å; K151-Q153 VanDerWaalsContact C-N 3.3Å; K151-Q153 PolarHBondContact O-N 2.95Å; K151-E154 PolarHBondContact O-N 3.1Å; K151-Y155 HydrophobicContact CB-CE2 4.38Å; K151-Y155 WeakPolarHBondContact O-CB 3.39Å; K151-Y155 VanDerWaalsContact O-CD2 3.31Å; K151-Y155 WeakPolarHBondContact O-CD2 3.21Å; K151-Y155 PolarHBondContact O-N 2.79Å
152	L	81.8	Confident	76.3	Confident	8 Å²	8	78.7 Å²	78.7	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-43.6	176.6	-175.1	64.7	0	0	0	110.8	K133 L136 L140 Y147 D148 E149 Y155 T156	K133-L152 HydrophobicContact CD-CD2 4.26Å; K133-L152 HydrophobicContact CG-CD2 3.56Å; K133-L152 HydrophobicContact CG-CG 3.86Å; L136-L152 HydrophobicContact CB-CD1 3.57Å; L140-L152 HydrophobicContact CD1-CD1 3.99Å; Y147-L152 HydrophobicContact CD2-CB 4.08Å; Y147-L152 HydrophobicContact CD2-CD2 4.31Å; Y147-L152 HydrophobicContact CE2-CD2 3.98Å; D148-L152 PolarHBondContact O-N 3.03Å; E149-L152 PolarHBondContact O-N 3.01Å; L152-Y155 WeakPolarHBondContact O-CB 3.39Å; L152-Y155 PolarHBondContact O-N 3.27Å; L152-T156 PolarHBondContact O-N 3.05Å; L152-T156 PolarHBondContact O-OG1 3.05Å
153	Q	82.9	Confident	76.4	Confident	126 Å²	126	72.6 Å²	72.6	59%	0.589	34%	0.34	S	S	*	.	H	α-helix	trans	-65.1	-41.2	175.8	-172.9	175.6	2	0	0	112.4	E149 Q150 K151 Y155 T156 Q157	E149-Q153 WeakPolarHBondContact O-CB 3.19Å; E149-Q153 PolarHBondContact O-N 2.93Å; Q150-Q153 PolarHBondContact O-N 3.31Å; K151-Q153 VanDerWaalsContact C-N 3.3Å; K151-Q153 PolarHBondContact O-N 2.95Å; Q153-Y155 VanDerWaalsContact C-N 3.31Å; Q153-Y155 PolarHBondContact O-N 2.89Å; Q153-T156 PolarHBondContact O-N 3.41Å; Q153-Q157 VanDerWaalsContact O-CB 3.3Å; Q153-Q157 WeakPolarHBondContact O-CB 3.44Å; Q153-Q157 PolarHBondContact O-N 3.31Å
154	E	79.4	Confident	77	Confident	95 Å²	95	72.1 Å²	72.1	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-42	175	-174.6	174	-175.4	0	0	111.4	Q150 K151 Q157 T158	Q150-E154 WeakPolarHBondContact O-CB 3.36Å; Q150-E154 PolarHBondContact O-N 3Å; K151-E154 PolarHBondContact O-N 3.1Å; E154-Q157 PolarHBondContact O-N 3.5Å; E154-T158 VanDerWaalsContact O-CB 3.23Å; E154-T158 WeakPolarHBondContact O-CB 3.1Å; E154-T158 PolarHBondContact O-N 2.71Å; E154-T158 PolarHBondContact O-OG1 2.95Å
155	Y	76.6	Confident	76.9	Confident	43 Å²	43	68.2 Å²	68.2	17%	0.169	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-48.5	175.1	-72.4	-20.7	0	0	0	113.2	F98 L140 K151 L152 Q153 Q157 T158 I159	F98-Y155 HydrophobicContact CB-CE1 4.27Å; F98-Y155 HydrophobicContact CD1-CD1 4.48Å; F98-Y155 AromaticContact CD2-CD1 3.43Å; F98-Y155 HydrophobicContact CD2-CD1 3.43Å; F98-Y155 VanDerWaalsContact CD2-CD1 3.43Å; F98-Y155 AromaticContact CD2-CD2 3.96Å; F98-Y155 HydrophobicContact CD2-CD2 3.96Å; F98-Y155 AromaticContact CD2-CE1 3.81Å; F98-Y155 HydrophobicContact CD2-CE1 3.81Å; F98-Y155 HydrophobicContact CD2-CE2 4.29Å; F98-Y155 AromaticContact CD2-CG 3.53Å; F98-Y155 HydrophobicContact CD2-CG 3.53Å; F98-Y155 AromaticContact CE2-CD1 3.6Å; F98-Y155 HydrophobicContact CE2-CD1 3.6Å; F98-Y155 AromaticContact CE2-CD2 3.98Å; F98-Y155 HydrophobicContact CE2-CD2 3.98Å; F98-Y155 HydrophobicContact CE2-CE1 4.42Å; F98-Y155 AromaticContact CE2-CG 3.34Å; F98-Y155 HydrophobicContact CE2-CG 3.34Å; F98-Y155 AromaticContact CG-CD1 3.9Å; F98-Y155 HydrophobicContact CG-CD1 3.9Å; F98-Y155 HydrophobicContact CG-CE1 4.09Å; F98-Y155 HydrophobicContact CG-CG 4.43Å; F98-Y155 HydrophobicContact CZ-CD1 4.09Å; F98-Y155 HydrophobicContact CZ-CG 4.03Å; F98-Y155 WeakPolarHBondContact CZ-O 3.33Å; L140-Y155 HydrophobicContact CD1-CD2 3.98Å; L140-Y155 HydrophobicContact CD1-CE2 4.12Å; L140-Y155 HydrophobicContact CD2-CE2 4.46Å; K151-Y155 HydrophobicContact CB-CE2 4.38Å; K151-Y155 WeakPolarHBondContact O-CB 3.39Å; K151-Y155 VanDerWaalsContact O-CD2 3.31Å; K151-Y155 WeakPolarHBondContact O-CD2 3.21Å; K151-Y155 PolarHBondContact O-N 2.79Å; L152-Y155 WeakPolarHBondContact O-CB 3.39Å; L152-Y155 PolarHBondContact O-N 3.27Å; Q153-Y155 VanDerWaalsContact C-N 3.31Å; Q153-Y155 PolarHBondContact O-N 2.89Å; Y155-Q157 VanDerWaalsContact C-N 3.33Å; Y155-Q157 PolarHBondContact O-N 2.94Å; Y155-T158 PolarHBondContact O-N 2.79Å; Y155-I159 PolarHBondContact O-N 2.95Å
156	T	81.6	Confident	77	Confident	11 Å²	11	67.8 Å²	67.8	7%	0.067	31%	0.314	C	S	.	.	H	α-helix	trans	-56.3	-49.7	174.7	-59	0	0	0	0	110.4	A129 L132 L152 Q153 T158 I159 L160	A129-T156 HydrophobicContact CB-CG2 4.32Å; A129-T156 WeakPolarHBondContact O-CG2 3.33Å; L132-T156 HydrophobicContact CB-CG2 4.24Å; L132-T156 HydrophobicContact CD2-CG2 3.93Å; L132-T156 HydrophobicContact CG-CG2 4.16Å; L152-T156 PolarHBondContact O-N 3.05Å; L152-T156 PolarHBondContact O-OG1 3.05Å; Q153-T156 PolarHBondContact O-N 3.41Å; T156-T158 VanDerWaalsContact C-N 3.29Å; T156-T158 PolarHBondContact O-N 2.96Å; T156-I159 PolarHBondContact O-N 2.85Å; T156-L160 HydrophobicContact CG2-CD1 4.14Å; T156-L160 WeakPolarHBondContact O-CG 3.3Å; T156-L160 PolarHBondContact O-N 3.07Å
157	Q	80.8	Confident	77.2	Confident	89 Å²	89	62.6 Å²	62.6	42%	0.416	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-35.1	-178.9	-172.8	61	76.6	0	0	112.2	Q153 E154 Y155 R161	Q153-Q157 VanDerWaalsContact O-CB 3.3Å; Q153-Q157 WeakPolarHBondContact O-CB 3.44Å; Q153-Q157 PolarHBondContact O-N 3.31Å; E154-Q157 PolarHBondContact O-N 3.5Å; Y155-Q157 VanDerWaalsContact C-N 3.33Å; Y155-Q157 PolarHBondContact O-N 2.94Å; Q157-R161 WeakPolarHBondContact O-CB 3.23Å; Q157-R161 VanDerWaalsContact O-CG 3.3Å; Q157-R161 WeakPolarHBondContact O-CG 3.23Å; Q157-R161 PolarHBondContact O-N 3.13Å
158	T	76.5	Confident	77.5	Confident	9 Å²	9	63.1 Å²	63.1	6%	0.055	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-53.8	176.1	-60.5	0	0	0	0	109.9	A18 F98 E154 Y155 T156 L160 R161 M162	A18-T158 HydrophobicContact CB-CG2 3.82Å; F98-T158 HydrophobicContact CE1-CG2 4.4Å; E154-T158 VanDerWaalsContact O-CB 3.23Å; E154-T158 WeakPolarHBondContact O-CB 3.1Å; E154-T158 PolarHBondContact O-N 2.71Å; E154-T158 PolarHBondContact O-OG1 2.95Å; Y155-T158 PolarHBondContact O-N 2.79Å; T156-T158 VanDerWaalsContact C-N 3.29Å; T156-T158 PolarHBondContact O-N 2.96Å; T158-L160 VanDerWaalsContact C-N 3.3Å; T158-L160 PolarHBondContact O-N 3.36Å; T158-R161 CarbonylContact O-C 3.57Å; T158-R161 PolarHBondContact O-N 3.19Å; T158-R161 VanDerWaalsContact O-N 3.08Å; T158-M162 HydrophobicContact CG2-CE 3.59Å; T158-M162 HydrophobicContact CG2-CG 4.08Å; T158-M162 HydrophobicContact CG2-SD 4.14Å; T158-M162 WeakPolarHBondContact O-CG 3.39Å; T158-M162 PolarHBondContact O-N 3.05Å
159	I	76.4	Confident	77.3	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-57.1	-44.2	178	-78.1	171.1	0	0	0	111.3	F98 F102 L132 L136 Y155 T156 R161 M162 F163 L171 L179	F98-I159 HydrophobicContact CE1-CD1 3.91Å; F98-I159 HydrophobicContact CE1-CG1 3.55Å; F98-I159 HydrophobicContact CE2-CD1 4.01Å; F98-I159 HydrophobicContact CE2-CG1 4.47Å; F98-I159 HydrophobicContact CZ-CB 4.49Å; F98-I159 HydrophobicContact CZ-CD1 3.27Å; F98-I159 HydrophobicContact CZ-CG1 3.33Å; F102-I159 HydrophobicContact CD2-CD1 4.25Å; F102-I159 HydrophobicContact CE2-CD1 4.21Å; L132-I159 HydrophobicContact CD1-CG2 4.22Å; L132-I159 HydrophobicContact CD2-CB 4.03Å; L132-I159 HydrophobicContact CD2-CG2 3.76Å; L136-I159 HydrophobicContact CD1-CD1 4.2Å; L136-I159 HydrophobicContact CD2-CD1 3.77Å; L136-I159 HydrophobicContact CG-CD1 4.46Å; Y155-I159 PolarHBondContact O-N 2.95Å; T156-I159 PolarHBondContact O-N 2.85Å; I159-R161 PolarHBondContact O-N 2.83Å; I159-M162 WeakPolarHBondContact O-CB 3.46Å; I159-M162 PolarHBondContact O-N 2.79Å; I159-M162 VanDerWaalsContact O-N 3.09Å; I159-F163 HydrophobicContact CG2-CD2 3.94Å; I159-F163 WeakPolarHBondContact O-CD2 3.14Å; I159-F163 PolarHBondContact O-N 3.41Å; I159-L171 HydrophobicContact CG2-CD1 3.54Å; I159-L179 HydrophobicContact CG2-CD1 4.45Å
160	L	78.6	Confident	77.4	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.052	29%	0.292	C	S	.	.	H	α-helix	trans	-56	-55.9	174.5	-73.2	167.5	0	0	0	109.9	A129 L132 T156 T158 M162 F163 D164 L171	A129-L160 HydrophobicContact CB-CD1 3.7Å; L132-L160 HydrophobicContact CD2-CD2 4.26Å; L132-L160 HydrophobicContact CD2-CG 3.92Å; T156-L160 HydrophobicContact CG2-CD1 4.14Å; T156-L160 WeakPolarHBondContact O-CG 3.3Å; T156-L160 PolarHBondContact O-N 3.07Å; T158-L160 VanDerWaalsContact C-N 3.3Å; T158-L160 PolarHBondContact O-N 3.36Å; L160-M162 PolarHBondContact O-N 3.21Å; L160-F163 PolarHBondContact O-N 3.11Å; L160-F163 VanDerWaalsContact O-N 3.17Å; L160-D164 WeakPolarHBondContact O-CA 3.43Å; L160-D164 WeakPolarHBondContact O-CB 3.34Å; L160-D164 PolarHBondContact O-N 3.24Å; L160-L171 HydrophobicContact CD2-CD1 4.49Å; L160-L171 HydrophobicContact CD2-CD2 4.08Å; L160-L171 HydrophobicContact CD2-CG 3.85Å
161	R	74.3	Confident	77.3	Confident	154 Å²	154	49.5 Å²	49.5	58%	0.581	26%	0.256	S	S	*	.	H	α-helix	trans	-58	-24.7	177.8	-73.5	178.1	-176.7	-174	3.4	114.8	L22 K26 Q157 T158 I159	L22-R161 HydrophobicContact CD2-CB 3.66Å; K26-R161 VanDerWaalsContact CE-O 3.3Å; K26-R161 WeakPolarHBondContact CE-O 3.34Å; K26-R161 PolarHBondContact NZ-O 3.23Å; Q157-R161 WeakPolarHBondContact O-CB 3.23Å; Q157-R161 VanDerWaalsContact O-CG 3.3Å; Q157-R161 WeakPolarHBondContact O-CG 3.23Å; Q157-R161 PolarHBondContact O-N 3.13Å; T158-R161 CarbonylContact O-C 3.57Å; T158-R161 PolarHBondContact O-N 3.19Å; T158-R161 VanDerWaalsContact O-N 3.08Å; I159-R161 PolarHBondContact O-N 2.83Å
162	M	68.6	Low	77.2	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.049	24%	0.239	C	C	.	.	H	α-helix	trans	-80	-45.5	178.7	-67	-163.1	162.8	0	0	112.5	A18 F21 L22 T158 I159 L160	A18-M162 WeakPolarHBondContact O-CE 3.42Å; F21-M162 HydrophobicContact CD1-CE 3.7Å; F21-M162 HydrophobicContact CE1-CE 4.4Å; L22-M162 HydrophobicContact CB-CE 3.58Å; L22-M162 HydrophobicContact CB-CG 4.26Å; L22-M162 HydrophobicContact CD1-CB 4.06Å; L22-M162 HydrophobicContact CD1-CE 4.19Å; L22-M162 HydrophobicContact CD1-CG 3.51Å; L22-M162 HydrophobicContact CD1-SD 4.46Å; L22-M162 HydrophobicContact CD2-CB 4.45Å; L22-M162 HydrophobicContact CD2-CG 3.67Å; L22-M162 HydrophobicContact CG-CE 4.3Å; L22-M162 HydrophobicContact CG-CG 3.96Å; T158-M162 HydrophobicContact CG2-CE 3.59Å; T158-M162 HydrophobicContact CG2-CG 4.08Å; T158-M162 HydrophobicContact CG2-SD 4.14Å; T158-M162 WeakPolarHBondContact O-CG 3.39Å; T158-M162 PolarHBondContact O-N 3.05Å; I159-M162 WeakPolarHBondContact O-CB 3.46Å; I159-M162 PolarHBondContact O-N 2.79Å; I159-M162 VanDerWaalsContact O-N 3.09Å; L160-M162 PolarHBondContact O-N 3.21Å
163	F	71.5	Confident	76.9	Confident	6 Å²	6	45 Å²	45	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-114.7	-21.2	-165.2	-64.8	-79.6	0	0	0	113.8	M85 I159 L160 L165 L171 E175 R178 L179	M85-F163 HydrophobicContact CE-CZ 4.22Å; M85-F163 HydrophobicContact CG-CZ 4.34Å; I159-F163 HydrophobicContact CG2-CD2 3.94Å; I159-F163 WeakPolarHBondContact O-CD2 3.14Å; I159-F163 PolarHBondContact O-N 3.41Å; L160-F163 PolarHBondContact O-N 3.11Å; L160-F163 VanDerWaalsContact O-N 3.17Å; F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 3.31Å; F163-L171 HydrophobicContact CB-CD2 3.64Å; F163-E175 HydrophobicContact CB-CB 4.45Å; F163-E175 WeakPolarHBondContact CD1-O 3.36Å; F163-E175 WeakPolarHBondContact O-CB 3.17Å; F163-E175 WeakPolarHBondContact O-CG 3.47Å; F163-R178 HydrophobicContact CD1-CB 4.04Å; F163-R178 HydrophobicContact CE1-CB 3.97Å; F163-L179 HydrophobicContact CD1-CG 4.06Å; F163-L179 HydrophobicContact CD2-CD1 4.02Å; F163-L179 HydrophobicContact CD2-CD2 3.98Å; F163-L179 HydrophobicContact CD2-CG 4.01Å; F163-L179 HydrophobicContact CE1-CD2 3.85Å; F163-L179 HydrophobicContact CE1-CG 3.67Å; F163-L179 HydrophobicContact CE2-CD1 4.1Å; F163-L179 HydrophobicContact CE2-CD2 3.2Å; F163-L179 HydrophobicContact CE2-CG 3.67Å; F163-L179 HydrophobicContact CG-CD1 4.3Å; F163-L179 HydrophobicContact CG-CG 4.23Å; F163-L179 HydrophobicContact CZ-CD1 4.38Å; F163-L179 HydrophobicContact CZ-CD2 3.12Å; F163-L179 HydrophobicContact CZ-CG 3.49Å; F163-L179 VanDerWaalsContact CZ-CG 3.49Å
164	D	78.4	Confident	76.2	Confident	26 Å²	26	40.6 Å²	40.6	14%	0.139	22%	0.222	C	C	.	.			trans	-71.4	89.2	169	178.6	4.1	0	0	0	108.3	L160 N166 G167 D168 G169 L171	L160-D164 WeakPolarHBondContact O-CA 3.43Å; L160-D164 WeakPolarHBondContact O-CB 3.34Å; L160-D164 PolarHBondContact O-N 3.24Å; D164-N166 PolarHBondContact OD1-OD1 2.86Å; D164-G167 WeakPolarHBondContact OD1-CA 3.27Å; D164-G167 PolarHBondContact OD1-N 3.3Å; D164-D168 PolarHBondContact OD1-N 2.99Å; D164-D168 PolarHBondContact OD2-N 3.38Å; D164-G169 WeakPolarHBondContact OD2-CA 3.24Å; D164-G169 PolarHBondContact OD2-N 2.87Å; D164-L171 HydrophobicContact CB-CD2 4.09Å
165	L	69.4	Low	76	Confident	71 Å²	71	36.6 Å²	36.6	37%	0.372	20%	0.203	S	C	.	.	S	Bend	trans	-83.1	-32.2	-174.3	-66	167.4	0	0	0	111.3	F163 G167 E175 R178	F163-L165 VanDerWaalsContact C-N 3.34Å; F163-L165 PolarHBondContact O-N 3.31Å; L165-G167 VanDerWaalsContact C-N 3.3Å; L165-E175 HydrophobicContact CD1-CG 4.31Å; L165-E175 PolarHBondContact N-OE1 3.02Å; L165-R178 VanDerWaalsContact CD1-CZ 3.43Å
166	N	71.3	Confident	75.8	Confident	63 Å²	63	34.6 Å²	34.6	34%	0.337	20%	0.195	S	C	.	.	S	Bend	trans	-83.2	-9.6	177.5	66.1	-4.1	0	0	0	112.3	D164 D168	D164-N166 PolarHBondContact OD1-OD1 2.86Å; N166-D168 VanDerWaalsContact C-N 3.3Å; N166-D168 VanDerWaalsContact CG-CG 3.47Å; N166-D168 PolarHBondContact ND2-OD2 2.85Å; N166-D168 PolarHBondContact O-N 3.36Å; N166-D168 PolarHBondContact OD1-N 3.45Å; N166-D168 PolarHBondContact OD1-OD1 3.15Å; N166-D168 VanDerWaalsContact OD1-OD1 3.13Å; N166-D168 PolarHBondContact OD1-OD2 3.13Å
167	G	75.8	Confident	75.1	Confident	60 Å²	60	34.1 Å²	34.1	62%	0.619	19%	0.192	S	C	*	.			trans	70	25.5	175.7	0	0	0	0	0	113.1	D164 L165 G169	D164-G167 WeakPolarHBondContact OD1-CA 3.27Å; D164-G167 PolarHBondContact OD1-N 3.3Å; L165-G167 VanDerWaalsContact C-N 3.3Å; G167-G169 VanDerWaalsContact C-N 3.28Å
168	D	79.3	Confident	74.3	Confident	64 Å²	64	32.2 Å²	32.2	34%	0.342	18%	0.181	S	C	.	.	S	Bend	trans	-85.2	-2.4	-176.1	69.8	7.2	0	0	0	113.2	D164 N166 K170	D164-D168 PolarHBondContact OD1-N 2.99Å; D164-D168 PolarHBondContact OD2-N 3.38Å; N166-D168 VanDerWaalsContact C-N 3.3Å; N166-D168 VanDerWaalsContact CG-CG 3.47Å; N166-D168 PolarHBondContact ND2-OD2 2.85Å; N166-D168 PolarHBondContact O-N 3.36Å; N166-D168 PolarHBondContact OD1-N 3.45Å; N166-D168 PolarHBondContact OD1-OD1 3.15Å; N166-D168 VanDerWaalsContact OD1-OD1 3.13Å; N166-D168 PolarHBondContact OD1-OD2 3.13Å; D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 HydrophobicContact CB-CG 4.3Å; D168-K170 VanDerWaalsContact CG-CE 3.47Å; D168-K170 WeakPolarHBondContact OD1-CG 3.37Å; D168-K170 PolarHBondContact OD1-N 3.26Å; D168-K170 WeakPolarHBondContact OD2-CE 3.41Å; D168-K170 WeakPolarHBondContact OD2-CG 3.14Å; D168-K170 IonicContact OD2-NZ 2.95Å
169	G	78.7	Confident	73.6	Confident	39 Å²	39	32.5 Å²	32.5	40%	0.402	18%	0.182	S	C	.	.	S	Bend	trans	79.8	7.2	178.5	0	0	0	0	0	114	D164 G167	D164-G169 WeakPolarHBondContact OD2-CA 3.24Å; D164-G169 PolarHBondContact OD2-N 2.87Å; G167-G169 VanDerWaalsContact C-N 3.28Å
170	K	83.3	Confident	72.8	Confident	56 Å²	56	32.7 Å²	32.7	24%	0.243	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	160.4	176.7	53.4	-178.5	-170.5	165.6	0	109	Y126 D168	Y126-K170 HydrophobicContact CD1-CD 3.66Å; Y126-K170 HydrophobicContact CD1-CG 3.98Å; Y126-K170 HydrophobicContact CD2-CD 4.13Å; Y126-K170 HydrophobicContact CE1-CD 4.31Å; Y126-K170 VanDerWaalsContact CE2-NZ 3.26Å; Y126-K170 HydrophobicContact CG-CD 3.57Å; Y126-K170 HydrophobicContact CG-CG 4.24Å; D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 HydrophobicContact CB-CG 4.3Å; D168-K170 VanDerWaalsContact CG-CE 3.47Å; D168-K170 WeakPolarHBondContact OD1-CG 3.37Å; D168-K170 PolarHBondContact OD1-N 3.26Å; D168-K170 WeakPolarHBondContact OD2-CE 3.41Å; D168-K170 WeakPolarHBondContact OD2-CG 3.14Å; D168-K170 IonicContact OD2-NZ 2.95Å
171	L	79.9	Confident	71.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.1	174.9	-63.3	174.8	0	0	0	108.6	W116 Y126 I127 L132 I159 L160 F163 D164 M176	W116-L171 VanDerWaalsContact CH2-O 3.29Å; W116-L171 WeakPolarHBondContact CH2-O 2.93Å; Y126-L171 CarbonylContact C-O 3.52Å; Y126-L171 WeakPolarHBondContact CA-O 2.78Å; I127-L171 HydrophobicContact CB-CB 4.41Å; I127-L171 PolarHBondContact N-O 3.14Å; I127-L171 PolarHBondContact O-N 2.74Å; L132-L171 HydrophobicContact CD1-CD1 4.16Å; L132-L171 HydrophobicContact CD2-CD1 3.83Å; I159-L171 HydrophobicContact CG2-CD1 3.54Å; L160-L171 HydrophobicContact CD2-CD1 4.49Å; L160-L171 HydrophobicContact CD2-CD2 4.08Å; L160-L171 HydrophobicContact CD2-CG 3.85Å; F163-L171 HydrophobicContact CB-CD2 3.64Å; D164-L171 HydrophobicContact CB-CD2 4.09Å; L171-M176 HydrophobicContact CB-CB 4.5Å
172	G	77.1	Confident	70.5	Confident	7 Å²	7	27.9 Å²	27.9	7%	0.072	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	158	166.6	0	0	0	0	0	111.8	W116 S174 E175 M176	W116-G172 VanDerWaalsContact CH2-C 3.41Å; G172-S174 PolarHBondContact O-N 3.36Å; G172-E175 PolarHBondContact N-OE2 3.17Å; G172-E175 WeakPolarHBondContact O-CB 3.33Å; G172-E175 PolarHBondContact O-N 2.99Å; G172-M176 PolarHBondContact O-N 2.95Å
173	L	73.7	Confident	69.5	Low	4 Å²	4	34.3 Å²	34.3	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-55.2	-39.7	179.3	-173.5	72.2	0	0	0	111.6	F112 M113 W116 E175 A177 L187 I262 V263	F112-L173 HydrophobicContact CE1-CD1 3.77Å; F112-L173 HydrophobicContact CZ-CD1 4.43Å; M113-L173 HydrophobicContact CE-CD1 4.25Å; M113-L173 HydrophobicContact CE-CD2 3.68Å; M113-L173 HydrophobicContact SD-CD1 3.83Å; M113-L173 HydrophobicContact SD-CD2 4.08Å; M113-L173 HydrophobicContact SD-CG 4.45Å; W116-L173 HydrophobicContact CB-CD1 4.39Å; W116-L173 HydrophobicContact CD2-CD1 3.34Å; W116-L173 HydrophobicContact CE3-CD1 3.56Å; W116-L173 HydrophobicContact CG-CD1 3.7Å; W116-L173 HydrophobicContact CH2-CB 4.02Å; W116-L173 HydrophobicContact CH2-CD1 4.29Å; W116-L173 HydrophobicContact CZ2-CB 3.93Å; W116-L173 HydrophobicContact CZ2-CD1 4.13Å; W116-L173 HydrophobicContact CZ3-CB 4.44Å; W116-L173 HydrophobicContact CZ3-CD1 4.02Å; L173-E175 VanDerWaalsContact C-N 3.29Å; L173-E175 PolarHBondContact O-N 2.91Å; L173-A177 WeakPolarHBondContact O-CB 3.01Å; L173-A177 PolarHBondContact O-N 3.39Å; L173-L187 HydrophobicContact CD1-CD1 4.21Å; L173-L187 HydrophobicContact CD2-CD1 3.92Å; L173-L187 HydrophobicContact CD2-CD2 3.5Å; L173-L187 HydrophobicContact CD2-CG 4.38Å; L173-L187 HydrophobicContact CG-CD1 3.74Å; L173-L187 HydrophobicContact CG-CD2 4.1Å; L173-I262 HydrophobicContact CB-CG2 3.53Å; L173-I262 HydrophobicContact CD2-CG2 3.53Å; L173-I262 HydrophobicContact CG-CG2 4.04Å; L173-V263 HydrophobicContact CD2-CG2 4.06Å
174	S	69	Low	68.6	Low	35 Å²	35	38.5 Å²	38.5	25%	0.245	22%	0.221	C	C	.	.	H	α-helix	trans	-69.8	-23.8	179.6	82.7	0	0	0	0	114.3	G172	G172-S174 PolarHBondContact O-N 3.36Å
175	E	75.3	Confident	67.6	Low	10 Å²	10	37.4 Å²	37.4	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-82.3	-49.2	177.9	-73.8	173.6	148.7	0	0	110.3	F163 L165 G172 L173 A177 R178	F163-E175 HydrophobicContact CB-CB 4.45Å; F163-E175 WeakPolarHBondContact CD1-O 3.36Å; F163-E175 WeakPolarHBondContact O-CB 3.17Å; F163-E175 WeakPolarHBondContact O-CG 3.47Å; L165-E175 HydrophobicContact CD1-CG 4.31Å; L165-E175 PolarHBondContact N-OE1 3.02Å; G172-E175 PolarHBondContact N-OE2 3.17Å; G172-E175 WeakPolarHBondContact O-CB 3.33Å; G172-E175 PolarHBondContact O-N 2.99Å; L173-E175 VanDerWaalsContact C-N 3.29Å; L173-E175 PolarHBondContact O-N 2.91Å; E175-A177 PolarHBondContact O-N 3.5Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 2.73Å; E175-R178 VanDerWaalsContact O-N 3.1Å
176	M	71.5	Confident	67.3	Low	2 Å²	2	34 Å²	34	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-67.9	-27	176.2	-160.8	176.8	169.3	0	0	111.4	F102 F112 W116 I127 F135 L171 G172 R178 L179	F102-M176 HydrophobicContact CE1-CE 4.49Å; F102-M176 HydrophobicContact CE2-CE 4.15Å; F102-M176 HydrophobicContact CZ-CE 3.49Å; F102-M176 VanDerWaalsContact CZ-CE 3.49Å; F102-M176 HydrophobicContact CZ-CG 4.2Å; F112-M176 HydrophobicContact CE2-CB 4.39Å; F112-M176 HydrophobicContact CE2-CE 4.04Å; F112-M176 HydrophobicContact CE2-CG 3.74Å; F112-M176 HydrophobicContact CE2-SD 4.11Å; F112-M176 HydrophobicContact CZ-CB 3.9Å; F112-M176 HydrophobicContact CZ-CG 3.73Å; F112-M176 HydrophobicContact CZ-SD 4.12Å; W116-M176 HydrophobicContact CE3-CB 4.32Å; W116-M176 HydrophobicContact CE3-CG 4.44Å; W116-M176 HydrophobicContact CE3-SD 3.45Å; W116-M176 HydrophobicContact CH2-SD 4.48Å; W116-M176 HydrophobicContact CZ3-CB 3.6Å; W116-M176 HydrophobicContact CZ3-CG 4.05Å; W116-M176 HydrophobicContact CZ3-SD 3.27Å; W116-M176 WeakPolarHBondContact CZ3-SD 3.38Å; I127-M176 HydrophobicContact CG1-SD 4.15Å; F135-M176 HydrophobicContact CD1-CE 4.31Å; F135-M176 HydrophobicContact CD2-CE 4.25Å; F135-M176 HydrophobicContact CE1-CE 4.2Å; F135-M176 HydrophobicContact CE2-CE 4.11Å; F135-M176 HydrophobicContact CG-CE 4.37Å; F135-M176 HydrophobicContact CZ-CE 4.08Å; L171-M176 HydrophobicContact CB-CB 4.5Å; G172-M176 PolarHBondContact O-N 2.95Å; M176-R178 PolarHBondContact O-N 3.46Å; M176-L179 HydrophobicContact CG-CD1 3.84Å; M176-L179 WeakPolarHBondContact O-CB 3.48Å; M176-L179 PolarHBondContact O-N 3.3Å
177	A	67.9	Low	66.7	Low	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.1	-30.2	171.3	0	0	0	0	0	113.2	L173 E175 L179 L180 N185 L187	L173-A177 WeakPolarHBondContact O-CB 3.01Å; L173-A177 PolarHBondContact O-N 3.39Å; E175-A177 PolarHBondContact O-N 3.5Å; A177-L179 PolarHBondContact O-N 3.3Å; A177-L179 VanDerWaalsContact O-N 3.12Å; A177-L180 WeakPolarHBondContact O-CB 3.19Å; A177-L180 PolarHBondContact O-N 3Å; A177-N185 PolarHBondContact O-ND2 2.85Å; A177-L187 HydrophobicContact CB-CB 3.65Å; A177-L187 HydrophobicContact CB-CD1 3.44Å; A177-L187 VanDerWaalsContact CB-CD1 3.44Å; A177-L187 HydrophobicContact CB-CG 4.17Å
178	R	64.9	Low	65.9	Low	50 Å²	50	29.9 Å²	29.9	19%	0.189	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-63.3	-16.1	176.3	-65	179.5	175.2	-158.8	-5.5	112.6	G32 F163 L165 E175 M176 L180 L188	G32-R178 PolarHBondContact O-NH1 3.08Å; F163-R178 HydrophobicContact CD1-CB 4.04Å; F163-R178 HydrophobicContact CE1-CB 3.97Å; L165-R178 VanDerWaalsContact CD1-CZ 3.43Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 2.73Å; E175-R178 VanDerWaalsContact O-N 3.1Å; M176-R178 PolarHBondContact O-N 3.46Å; R178-L180 VanDerWaalsContact C-N 3.28Å; R178-L188 HydrophobicContact CG-CD2 4.02Å
179	L	60.8	Low	64.8	Low	15 Å²	15	31.7 Å²	31.7	8%	0.079	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-74.2	-18.1	171.5	-71.3	158.2	0	0	0	113.1	L99 F102 I159 F163 M176 A177	L99-L179 HydrophobicContact CD2-CD2 3.79Å; F102-L179 HydrophobicContact CD1-CB 3.89Å; F102-L179 HydrophobicContact CD1-CD1 4.32Å; F102-L179 HydrophobicContact CD1-CD2 4.48Å; F102-L179 HydrophobicContact CD1-CG 4.48Å; F102-L179 HydrophobicContact CE1-CB 3.65Å; F102-L179 HydrophobicContact CE1-CD1 3.71Å; F102-L179 HydrophobicContact CE1-CG 4.2Å; F102-L179 HydrophobicContact CE2-CD1 3.94Å; F102-L179 HydrophobicContact CZ-CB 4.33Å; F102-L179 HydrophobicContact CZ-CD1 3.49Å; F102-L179 VanDerWaalsContact CZ-CD1 3.49Å; F102-L179 HydrophobicContact CZ-CG 4.43Å; I159-L179 HydrophobicContact CG2-CD1 4.45Å; F163-L179 HydrophobicContact CD1-CG 4.06Å; F163-L179 HydrophobicContact CD2-CD1 4.02Å; F163-L179 HydrophobicContact CD2-CD2 3.98Å; F163-L179 HydrophobicContact CD2-CG 4.01Å; F163-L179 HydrophobicContact CE1-CD2 3.85Å; F163-L179 HydrophobicContact CE1-CG 3.67Å; F163-L179 HydrophobicContact CE2-CD1 4.1Å; F163-L179 HydrophobicContact CE2-CD2 3.2Å; F163-L179 HydrophobicContact CE2-CG 3.67Å; F163-L179 HydrophobicContact CG-CD1 4.3Å; F163-L179 HydrophobicContact CG-CG 4.23Å; F163-L179 HydrophobicContact CZ-CD1 4.38Å; F163-L179 HydrophobicContact CZ-CD2 3.12Å; F163-L179 HydrophobicContact CZ-CG 3.49Å; F163-L179 VanDerWaalsContact CZ-CG 3.49Å; M176-L179 HydrophobicContact CG-CD1 3.84Å; M176-L179 WeakPolarHBondContact O-CB 3.48Å; M176-L179 PolarHBondContact O-N 3.3Å; A177-L179 PolarHBondContact O-N 3.3Å; A177-L179 VanDerWaalsContact O-N 3.12Å
180	L	60	Low	63.8	Low	5 Å²	5	30.5 Å²	30.5	3%	0.026	15%	0.15	C	C	.	.	S	Bend	trans	-79.8	138.2	-179	-64	177.2	0	0	0	111.5	V106 F112 A177 R178 V182	V106-L180 HydrophobicContact CB-CD2 3.82Å; V106-L180 HydrophobicContact CG2-CD2 3.66Å; F112-L180 HydrophobicContact CB-CD1 3.96Å; F112-L180 HydrophobicContact CB-CD2 3.79Å; F112-L180 HydrophobicContact CB-CG 4.44Å; F112-L180 HydrophobicContact CD1-CD1 3.74Å; F112-L180 HydrophobicContact CD1-CG 4.48Å; F112-L180 HydrophobicContact CD2-CD1 4.18Å; F112-L180 HydrophobicContact CD2-CD2 3.67Å; F112-L180 HydrophobicContact CD2-CG 4.07Å; F112-L180 HydrophobicContact CE1-CD1 4.26Å; F112-L180 HydrophobicContact CE2-CD2 4.44Å; F112-L180 HydrophobicContact CE2-CG 4.48Å; F112-L180 HydrophobicContact CG-CD1 3.68Å; F112-L180 HydrophobicContact CG-CD2 3.79Å; F112-L180 HydrophobicContact CG-CG 4.08Å; A177-L180 WeakPolarHBondContact O-CB 3.19Å; A177-L180 PolarHBondContact O-N 3Å; R178-L180 VanDerWaalsContact C-N 3.28Å; L180-V182 PolarHBondContact O-N 3.17Å
181	P	53.7	Low	62.3	Low	27 Å²	27	29.9 Å²	29.9	18%	0.175	15%	0.148	C	C	.	.			trans	-57	127.8	170.6	22.8	-29.7	0	0	0	110	Q183 E184	P181-Q183 PolarHBondContact O-N 3.11Å; P181-E184 PolarHBondContact O-N 2.92Å
182	V	49.7	Very low	60.8	Low	36 Å²	36	32 Å²	32	22%	0.218	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-59.8	-17.4	-166	166.8	0	0	0	0	115.3	Y35 E84 L180 E184 N185	Y35-V182 HydrophobicContact CE1-CG2 4.47Å; E84-V182 HydrophobicContact CG-CG2 3.95Å; E84-V182 WeakPolarHBondContact OE1-CB 3.41Å; E84-V182 WeakPolarHBondContact OE1-CG2 3.2Å; E84-V182 VanDerWaalsContact OE2-CG2 3.29Å; E84-V182 WeakPolarHBondContact OE2-CG2 3.33Å; L180-V182 PolarHBondContact O-N 3.17Å; V182-E184 PolarHBondContact O-N 3.49Å; V182-N185 PolarHBondContact O-N 3.35Å; V182-N185 VanDerWaalsContact O-N 3.14Å
183	Q	48.3	Very low	59.8	Low	145 Å²	145	32.9 Å²	32.9	68%	0.678	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-53.7	-28.5	178.6	-73.3	175.8	-3.9	0	0	113	P181	P181-Q183 PolarHBondContact O-N 3.11Å
184	E	53.6	Low	59	Low	93 Å²	93	40.3 Å²	40.3	44%	0.435	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-123.7	16.2	177.5	-64.4	-166.3	177.1	0	0	114.8	S108 S109 P181 V182 F186	S108-E184 VanDerWaalsContact CA-OE2 3.32Å; S108-E184 WeakPolarHBondContact CA-OE2 3.04Å; S108-E184 WeakPolarHBondContact CB-OE2 3.46Å; S109-E184 PolarHBondContact N-OE2 3Å; S109-E184 PolarHBondContact OG-OE2 3.43Å; P181-E184 PolarHBondContact O-N 2.92Å; V182-E184 PolarHBondContact O-N 3.49Å; E184-F186 PolarHBondContact O-N 2.91Å
185	N	56.6	Low	58.7	Low	4 Å²	4	39.9 Å²	39.9	2%	0.021	20%	0.201	C	C	.	.			trans	-78.5	73.1	-171.6	-154.8	-19.6	0	0	0	112.5	A177 V182 L187 L188	A177-N185 PolarHBondContact O-ND2 2.85Å; V182-N185 PolarHBondContact O-N 3.35Å; V182-N185 VanDerWaalsContact O-N 3.14Å; N185-L187 PolarHBondContact O-N 2.94Å; N185-L188 HydrophobicContact CB-CD1 4.21Å; N185-L188 HydrophobicContact CB-CG 4.32Å; N185-L188 VanDerWaalsContact CG-CG 3.49Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.38Å; N185-L188 WeakPolarHBondContact ND2-CG 3.33Å; N185-L188 PolarHBondContact O-N 3.33Å
186	F	61.8	Low	58.3	Low	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.3	-38.9	-179.3	82	-89.3	0	0	0	111.6	M113 E184 L188 K189 F190 Y242 I246 V263	M113-F186 HydrophobicContact CE-CE1 4.27Å; M113-F186 HydrophobicContact CE-CZ 3.66Å; M113-F186 HydrophobicContact CG-CE1 3.94Å; M113-F186 HydrophobicContact CG-CZ 4.23Å; M113-F186 HydrophobicContact SD-CE1 3.76Å; M113-F186 HydrophobicContact SD-CZ 3.73Å; E184-F186 PolarHBondContact O-N 2.91Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 3.16Å; F186-K189 PolarHBondContact O-N 2.97Å; F186-F190 HydrophobicContact CB-CD2 4.46Å; F186-F190 AromaticContact CD2-CD2 3.96Å; F186-F190 HydrophobicContact CD2-CD2 3.96Å; F186-F190 HydrophobicContact CD2-CE2 4.37Å; F186-F190 VanDerWaalsContact O-CD2 3.28Å; F186-F190 WeakPolarHBondContact O-CD2 3.18Å; F186-F190 PolarHBondContact O-N 3.26Å; F186-Y242 HydrophobicContact CB-CD1 3.09Å; F186-Y242 HydrophobicContact CB-CE1 3.22Å; F186-Y242 HydrophobicContact CB-CG 4.06Å; F186-Y242 HydrophobicContact CG-CD1 4.11Å; F186-I246 HydrophobicContact CD2-CG1 4.45Å; F186-I246 HydrophobicContact CE2-CD1 4.4Å; F186-I246 HydrophobicContact CE2-CG1 3.79Å; F186-I246 HydrophobicContact CZ-CG1 4.31Å; F186-V263 HydrophobicContact CE2-CG1 3.76Å
187	L	60.3	Low	58.2	Low	8 Å²	8	46.1 Å²	46.1	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-38.8	-177.4	-67.5	162.9	0	0	0	111.5	F112 M113 L173 A177 N185 F190 Q191 V263	F112-L187 HydrophobicContact CE1-CD1 4.34Å; M113-L187 HydrophobicContact SD-CD1 4Å; L173-L187 HydrophobicContact CD1-CD1 4.21Å; L173-L187 HydrophobicContact CD2-CD1 3.92Å; L173-L187 HydrophobicContact CD2-CD2 3.5Å; L173-L187 HydrophobicContact CD2-CG 4.38Å; L173-L187 HydrophobicContact CG-CD1 3.74Å; L173-L187 HydrophobicContact CG-CD2 4.1Å; A177-L187 HydrophobicContact CB-CB 3.65Å; A177-L187 HydrophobicContact CB-CD1 3.44Å; A177-L187 VanDerWaalsContact CB-CD1 3.44Å; A177-L187 HydrophobicContact CB-CG 4.17Å; N185-L187 PolarHBondContact O-N 2.94Å; L187-F190 CarbonylContact O-C 3.57Å; L187-F190 PolarHBondContact O-N 3.02Å; L187-Q191 WeakPolarHBondContact O-CG 3.21Å; L187-Q191 PolarHBondContact O-N 2.97Å; L187-V263 HydrophobicContact CD2-CG1 4.25Å
188	L	59.1	Low	58.4	Low	28 Å²	28	53.5 Å²	53.5	15%	0.147	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-32	174.7	-64.4	-175.8	0	0	0	113.2	Y35 R178 N185 F186 Q191	Y35-L188 VanDerWaalsContact OH-CD1 3.27Å; Y35-L188 WeakPolarHBondContact OH-CD1 3.43Å; R178-L188 HydrophobicContact CG-CD2 4.02Å; N185-L188 HydrophobicContact CB-CD1 4.21Å; N185-L188 HydrophobicContact CB-CG 4.32Å; N185-L188 VanDerWaalsContact CG-CG 3.49Å; N185-L188 WeakPolarHBondContact ND2-CD1 3.38Å; N185-L188 WeakPolarHBondContact ND2-CG 3.33Å; N185-L188 PolarHBondContact O-N 3.33Å; F186-L188 VanDerWaalsContact C-N 3.28Å; F186-L188 PolarHBondContact O-N 3.16Å; L188-Q191 VanDerWaalsContact CD2-CD 3.41Å; L188-Q191 HydrophobicContact CD2-CG 4.45Å; L188-Q191 VanDerWaalsContact CD2-NE2 3.26Å; L188-Q191 VanDerWaalsContact CD2-OE1 3.32Å; L188-Q191 WeakPolarHBondContact O-CB 3.35Å; L188-Q191 PolarHBondContact O-N 3.35Å
189	K	56.5	Low	58.8	Low	101 Å²	101	55.8 Å²	55.8	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-73.3	-34.3	174.6	-64	-168.2	-165.9	178.1	0	112.1	F186 N238 Y242	F186-K189 PolarHBondContact O-N 2.97Å; K189-N238 PolarHBondContact NZ-ND2 2.85Å; K189-Y242 VanDerWaalsContact CD-OH 3.24Å; K189-Y242 WeakPolarHBondContact CD-OH 3.36Å; K189-Y242 WeakPolarHBondContact CE-OH 3.42Å; K189-Y242 PolarHBondContact NZ-OH 2.89Å
190	F	55.9	Low	59.6	Low	15 Å²	15	55 Å²	55	7%	0.066	29%	0.286	C	S	.	.	H	α-helix	trans	-79.3	-14.5	174.4	-76.9	-82.2	0	0	0	113.5	F186 L187 G192 V193 L224 Y228 Y242 L264	F186-F190 HydrophobicContact CB-CD2 4.46Å; F186-F190 AromaticContact CD2-CD2 3.96Å; F186-F190 HydrophobicContact CD2-CD2 3.96Å; F186-F190 HydrophobicContact CD2-CE2 4.37Å; F186-F190 VanDerWaalsContact O-CD2 3.28Å; F186-F190 WeakPolarHBondContact O-CD2 3.18Å; F186-F190 PolarHBondContact O-N 3.26Å; L187-F190 CarbonylContact O-C 3.57Å; L187-F190 PolarHBondContact O-N 3.02Å; F190-G192 PolarHBondContact O-N 3.37Å; F190-V193 HydrophobicContact CD1-CG2 4.39Å; F190-V193 WeakPolarHBondContact O-CB 3.34Å; F190-V193 PolarHBondContact O-N 3.11Å; F190-L224 HydrophobicContact CE1-CD2 4.11Å; F190-L224 HydrophobicContact CZ-CD2 3.79Å; F190-Y228 AromaticContact CZ-CE2 3.92Å; F190-Y228 HydrophobicContact CZ-CE2 3.92Å; F190-Y228 WeakPolarHBondContact CZ-OH 3.46Å; F190-Y242 HydrophobicContact CE2-CD2 4Å; F190-Y242 HydrophobicContact CE2-CE2 4.45Å; F190-Y242 HydrophobicContact CE2-CG 4.03Å; F190-Y242 HydrophobicContact CZ-CD2 4.48Å; F190-L264 HydrophobicContact CD1-CD2 4.27Å
191	Q	52.2	Low	60.4	Low	43 Å²	43	56.7 Å²	56.7	20%	0.201	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.3	171.6	-85.9	179.7	-6.7	0	0	113.6	L187 L188 V193	L187-Q191 WeakPolarHBondContact O-CG 3.21Å; L187-Q191 PolarHBondContact O-N 2.97Å; L188-Q191 VanDerWaalsContact CD2-CD 3.41Å; L188-Q191 HydrophobicContact CD2-CG 4.45Å; L188-Q191 VanDerWaalsContact CD2-NE2 3.26Å; L188-Q191 VanDerWaalsContact CD2-OE1 3.32Å; L188-Q191 WeakPolarHBondContact O-CB 3.35Å; L188-Q191 PolarHBondContact O-N 3.35Å; Q191-V193 VanDerWaalsContact C-N 3.28Å; Q191-V193 PolarHBondContact O-N 3.33Å
192	G	49.5	Very low	61.8	Low	45 Å²	45	59.3 Å²	59.3	46%	0.464	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.6	174.9	0	0	0	0	0	114.6	F190 K231	F190-G192 PolarHBondContact O-N 3.37Å; G192-K231 PolarHBondContact O-NZ 2.7Å
193	V	55.3	Low	63.2	Low	24 Å²	24	59.2 Å²	59.2	15%	0.145	31%	0.312	C	S	.	.			trans	-96.5	90.6	179.2	-179.5	0	0	0	0	107.5	F190 Q191 L195 L227 K231	F190-V193 HydrophobicContact CD1-CG2 4.39Å; F190-V193 WeakPolarHBondContact O-CB 3.34Å; F190-V193 PolarHBondContact O-N 3.11Å; Q191-V193 VanDerWaalsContact C-N 3.28Å; Q191-V193 PolarHBondContact O-N 3.33Å; V193-L195 HydrophobicContact CG1-CD1 4.05Å; V193-L195 HydrophobicContact CG1-CG 3.92Å; V193-L195 PolarHBondContact O-N 3.1Å; V193-L227 HydrophobicContact CG1-CD2 4.16Å; V193-K231 HydrophobicContact CG2-CD 4.43Å
194	K	56.4	Low	64.8	Low	161 Å²	161	52.7 Å²	52.7	70%	0.7	28%	0.281	S	S	*	.			trans	-86.3	100.8	174.2	-68	-175.3	179.9	-175.8	0	108.8
195	L	63.4	Low	66.2	Low	26 Å²	26	53.6 Å²	53.6	14%	0.136	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-99.8	131.7	168.3	-65.2	168.9	0	0	0	108.6	V193 Q199 F200 I203 L264	V193-L195 HydrophobicContact CG1-CD1 4.05Å; V193-L195 HydrophobicContact CG1-CG 3.92Å; V193-L195 PolarHBondContact O-N 3.1Å; L195-Q199 HydrophobicContact CB-CB 4.48Å; L195-Q199 HydrophobicContact CD2-CB 4.09Å; L195-F200 HydrophobicContact CB-CB 4.42Å; L195-I203 HydrophobicContact CD1-CD1 3.58Å; L195-I203 HydrophobicContact CD2-CD1 3.54Å; L195-I203 HydrophobicContact CG-CD1 4.18Å; L195-L264 HydrophobicContact CD1-CB 4.41Å
196	T	67.1	Low	67.6	Low	75 Å²	75	61 Å²	61	46%	0.46	32%	0.318	S	S	.	.			trans	-70.2	155.6	165.6	56.7	0	0	0	0	109.5	E198 Q199 F200	T196-E198 PolarHBondContact O-N 3.1Å; T196-E198 VanDerWaalsContact O-N 3.1Å; T196-Q199 VanDerWaalsContact N-OE1 3.13Å; T196-Q199 PolarHBondContact O-N 3.29Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.21Å; T196-Q199 VanDerWaalsContact OG1-CG 3.23Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.1Å; T196-Q199 PolarHBondContact OG1-N 2.97Å; T196-Q199 PolarHBondContact OG1-OE1 3.42Å; T196-F200 WeakPolarHBondContact O-CB 3.13Å; T196-F200 PolarHBondContact O-N 3.43Å
197	S	69.6	Low	68.7	Low	67 Å²	67	62.1 Å²	62.1	47%	0.469	32%	0.322	S	S	.	.	H	α-helix	trans	-54.5	-32.4	177	-51.9	0	0	0	0	112.6	N201	S197-N201 WeakPolarHBondContact O-CB 3.31Å; S197-N201 PolarHBondContact O-N 2.76Å; S197-N201 PolarHBondContact O-ND2 3.01Å; S197-N201 VanDerWaalsContact O-ND2 3.09Å; S197-N201 PolarHBondContact O-OD1 2.74Å
198	E	72.3	Confident	69.9	Low	155 Å²	155	62.6 Å²	62.6	72%	0.724	32%	0.324	S	S	*	.	H	α-helix	trans	-69.8	-43.4	175.5	-67.4	-176.6	170.6	0	0	113.2	T196 N201 S202	T196-E198 PolarHBondContact O-N 3.1Å; T196-E198 VanDerWaalsContact O-N 3.1Å; E198-N201 PolarHBondContact O-N 3.26Å; E198-S202 PolarHBondContact O-N 2.93Å; E198-S202 PolarHBondContact O-OG 3.49Å
199	Q	73.6	Confident	70.9	Confident	98 Å²	98	69.1 Å²	69.1	46%	0.458	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-41.8	174.2	-73.1	171.4	-41.6	0	0	111	L195 T196 S202 I203	L195-Q199 HydrophobicContact CB-CB 4.48Å; L195-Q199 HydrophobicContact CD2-CB 4.09Å; T196-Q199 VanDerWaalsContact N-OE1 3.13Å; T196-Q199 PolarHBondContact O-N 3.29Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.21Å; T196-Q199 VanDerWaalsContact OG1-CG 3.23Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.1Å; T196-Q199 PolarHBondContact OG1-N 2.97Å; T196-Q199 PolarHBondContact OG1-OE1 3.42Å; Q199-S202 PolarHBondContact O-N 2.97Å; Q199-I203 WeakPolarHBondContact O-CB 3.38Å; Q199-I203 WeakPolarHBondContact O-CD1 3.4Å; Q199-I203 VanDerWaalsContact O-CG1 3.25Å; Q199-I203 WeakPolarHBondContact O-CG1 3.49Å; Q199-I203 PolarHBondContact O-N 2.74Å
200	F	76.9	Confident	72.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-44.7	174.5	175.1	-97.8	0	0	0	111.5	L195 T196 S202 I203 F204 R257 L260 E261 L264 C265	L195-F200 HydrophobicContact CB-CB 4.42Å; T196-F200 WeakPolarHBondContact O-CB 3.13Å; T196-F200 PolarHBondContact O-N 3.43Å; F200-S202 VanDerWaalsContact C-N 3.3Å; F200-S202 PolarHBondContact O-N 3.03Å; F200-I203 PolarHBondContact O-N 3.25Å; F200-F204 HydrophobicContact CE1-CD2 4.47Å; F200-F204 HydrophobicContact CZ-CD2 4.13Å; F200-F204 WeakPolarHBondContact O-CB 3.45Å; F200-F204 PolarHBondContact O-N 2.9Å; F200-R257 HydrophobicContact CE1-CG 3.76Å; F200-R257 HydrophobicContact CZ-CG 4.43Å; F200-L260 HydrophobicContact CE2-CB 4.19Å; F200-L260 HydrophobicContact CE2-CD2 3.98Å; F200-L260 HydrophobicContact CE2-CG 3.93Å; F200-L260 HydrophobicContact CZ-CB 3.96Å; F200-L260 HydrophobicContact CZ-CD2 4.19Å; F200-L260 HydrophobicContact CZ-CG 4.18Å; F200-E261 HydrophobicContact CD1-CB 4.38Å; F200-E261 HydrophobicContact CD1-CG 4.2Å; F200-E261 HydrophobicContact CE1-CB 3.65Å; F200-E261 HydrophobicContact CE1-CG 3.95Å; F200-E261 HydrophobicContact CE2-CB 4.41Å; F200-E261 VanDerWaalsContact CZ-CA 3.46Å; F200-E261 HydrophobicContact CZ-CB 3.68Å; F200-E261 HydrophobicContact CZ-CG 4.35Å; F200-E261 VanDerWaalsContact CZ-N 3.3Å; F200-L264 HydrophobicContact CD2-CB 4.01Å; F200-L264 HydrophobicContact CD2-CD1 4.46Å; F200-L264 HydrophobicContact CE2-CB 4.02Å; F200-L264 HydrophobicContact CE2-CD1 4.16Å; F200-C265 WeakPolarHBondContact CB-SG 3.46Å; F200-C265 WeakPolarHBondContact CG-SG 3.47Å
201	N	77.6	Confident	73.4	Confident	39 Å²	39	71.2 Å²	71.2	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-61.7	-39.7	176	-72.9	-22.9	0	0	0	112.7	S197 E198 I203 N205 R257	S197-N201 WeakPolarHBondContact O-CB 3.31Å; S197-N201 PolarHBondContact O-N 2.76Å; S197-N201 PolarHBondContact O-ND2 3.01Å; S197-N201 VanDerWaalsContact O-ND2 3.09Å; S197-N201 PolarHBondContact O-OD1 2.74Å; E198-N201 PolarHBondContact O-N 3.26Å; N201-I203 VanDerWaalsContact C-N 3.34Å; N201-N205 WeakPolarHBondContact O-CB 3.29Å; N201-N205 PolarHBondContact O-N 2.97Å; N201-N205 PolarHBondContact O-ND2 3.45Å; N201-R257 PolarHBondContact ND2-NH2 2.91Å; N201-R257 PolarHBondContact OD1-NE 3.37Å; N201-R257 PolarHBondContact OD1-NH1 3.25Å; N201-R257 VanDerWaalsContact OD1-NH1 3.16Å; N201-R257 PolarHBondContact OD1-NH2 2.81Å
202	S	81.2	Confident	74.9	Confident	82 Å²	82	71.5 Å²	71.5	57%	0.573	39%	0.385	S	S	*	.	H	α-helix	trans	-66.5	-39.9	177.7	-58.5	0	0	0	0	111.3	E198 Q199 F200 Y206	E198-S202 PolarHBondContact O-N 2.93Å; E198-S202 PolarHBondContact O-OG 3.49Å; Q199-S202 PolarHBondContact O-N 2.97Å; F200-S202 VanDerWaalsContact C-N 3.3Å; F200-S202 PolarHBondContact O-N 3.03Å; S202-Y206 WeakPolarHBondContact O-CB 2.97Å; S202-Y206 PolarHBondContact O-N 3.5Å; S202-Y206 VanDerWaalsContact O-N 3.09Å
203	I	79.9	Confident	76.5	Confident	35 Å²	35	71.1 Å²	71.1	18%	0.179	38%	0.381	C	S	.	.	H	α-helix	trans	-65.7	-52.2	175	-73.8	166.3	0	0	0	109.9	L195 Q199 F200 N201 N205 Y206 Y207 L223	L195-I203 HydrophobicContact CD1-CD1 3.58Å; L195-I203 HydrophobicContact CD2-CD1 3.54Å; L195-I203 HydrophobicContact CG-CD1 4.18Å; Q199-I203 WeakPolarHBondContact O-CB 3.38Å; Q199-I203 WeakPolarHBondContact O-CD1 3.4Å; Q199-I203 VanDerWaalsContact O-CG1 3.25Å; Q199-I203 WeakPolarHBondContact O-CG1 3.49Å; Q199-I203 PolarHBondContact O-N 2.74Å; F200-I203 PolarHBondContact O-N 3.25Å; N201-I203 VanDerWaalsContact C-N 3.34Å; I203-N205 PolarHBondContact O-N 2.81Å; I203-Y206 WeakPolarHBondContact O-CB 3.01Å; I203-Y206 PolarHBondContact O-N 2.68Å; I203-Y207 HydrophobicContact CG2-CD2 3.74Å; I203-Y207 HydrophobicContact CG2-CE2 3.81Å; I203-Y207 WeakPolarHBondContact O-CD2 3.47Å; I203-Y207 PolarHBondContact O-N 3.15Å; I203-L223 HydrophobicContact CG2-CD1 3.55Å; I203-L223 HydrophobicContact CG2-CG 4.31Å
204	F	81.3	Confident	78	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.035	38%	0.383	C	S	.	.	H	α-helix	trans	-54.6	-51.8	-179.6	-169.8	-81.5	0	0	0	111.1	F200 Y206 Y207 D208 I215 R257 L260	F200-F204 HydrophobicContact CE1-CD2 4.47Å; F200-F204 HydrophobicContact CZ-CD2 4.13Å; F200-F204 WeakPolarHBondContact O-CB 3.45Å; F200-F204 PolarHBondContact O-N 2.9Å; F204-Y206 PolarHBondContact O-N 3.49Å; F204-Y207 PolarHBondContact O-N 3.01Å; F204-D208 HydrophobicContact CD1-CB 4.41Å; F204-D208 HydrophobicContact CE1-CB 4.26Å; F204-D208 VanDerWaalsContact O-CB 3.31Å; F204-D208 WeakPolarHBondContact O-CB 3.45Å; F204-D208 PolarHBondContact O-N 3.2Å; F204-I215 HydrophobicContact CD2-CG1 4.05Å; F204-I215 HydrophobicContact CE2-CG1 3.66Å; F204-I215 HydrophobicContact CZ-CG1 4.01Å; F204-R257 HydrophobicContact CD2-CB 4.42Å; F204-R257 HydrophobicContact CD2-CG 4.44Å; F204-R257 HydrophobicContact CE1-CB 4.49Å; F204-R257 VanDerWaalsContact CE2-CA 3.49Å; F204-R257 HydrophobicContact CE2-CB 4.01Å; F204-R257 HydrophobicContact CZ-CB 4.05Å; F204-L260 HydrophobicContact CD2-CD2 3.83Å; F204-L260 HydrophobicContact CE2-CD2 4.2Å
205	N	84.3	Confident	79.5	Confident	112 Å²	112	64.7 Å²	64.7	60%	0.599	35%	0.35	S	S	*	.	H	α-helix	trans	-67.2	-22.2	178.8	-66	-15.6	0	0	0	113.7	N201 I203	N201-N205 WeakPolarHBondContact O-CB 3.29Å; N201-N205 PolarHBondContact O-N 2.97Å; N201-N205 PolarHBondContact O-ND2 3.45Å; I203-N205 PolarHBondContact O-N 2.81Å
206	Y	85.6	Confident	80.6	Confident	159 Å²	159	65.6 Å²	65.6	62%	0.624	36%	0.355	S	S	*	.	H	α-helix	trans	-79	-34.4	176.9	177.8	-95.3	0	0	0	111.8	S202 I203 F204	S202-Y206 WeakPolarHBondContact O-CB 2.97Å; S202-Y206 PolarHBondContact O-N 3.5Å; S202-Y206 VanDerWaalsContact O-N 3.09Å; I203-Y206 WeakPolarHBondContact O-CB 3.01Å; I203-Y206 PolarHBondContact O-N 2.68Å; F204-Y206 PolarHBondContact O-N 3.49Å
207	Y	85.1	Confident	81.5	Confident	24 Å²	24	66.7 Å²	66.7	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-90.6	-27.3	179.7	-70	-75.8	0	0	0	113.8	I203 F204 K209 E219 A222 L223 D226	I203-Y207 HydrophobicContact CG2-CD2 3.74Å; I203-Y207 HydrophobicContact CG2-CE2 3.81Å; I203-Y207 WeakPolarHBondContact O-CD2 3.47Å; I203-Y207 PolarHBondContact O-N 3.15Å; F204-Y207 PolarHBondContact O-N 3.01Å; Y207-K209 PolarHBondContact O-N 2.82Å; Y207-E219 VanDerWaalsContact O-CD 3.25Å; Y207-E219 VanDerWaalsContact O-CG 3.31Å; Y207-E219 WeakPolarHBondContact O-CG 3.31Å; Y207-E219 VanDerWaalsContact O-OE1 3.07Å; Y207-A222 HydrophobicContact CD1-CB 4.08Å; Y207-A222 HydrophobicContact CE1-CB 4.17Å; Y207-L223 HydrophobicContact CD1-CB 3.92Å; Y207-L223 HydrophobicContact CD2-CB 3.85Å; Y207-L223 HydrophobicContact CD2-CD1 3.64Å; Y207-L223 HydrophobicContact CD2-CG 3.94Å; Y207-L223 HydrophobicContact CE1-CB 4.17Å; Y207-L223 HydrophobicContact CE2-CB 4.1Å; Y207-L223 HydrophobicContact CE2-CD1 4.2Å; Y207-L223 HydrophobicContact CE2-CG 4.1Å; Y207-L223 HydrophobicContact CG-CB 3.78Å; Y207-L223 HydrophobicContact CG-CD1 4.14Å; Y207-L223 HydrophobicContact CG-CG 4.37Å; Y207-D226 WeakPolarHBondContact CE1-OD2 3.32Å; Y207-D226 WeakPolarHBondContact OH-CB 3.4Å; Y207-D226 PolarHBondContact OH-OD2 3.04Å
208	D	86.1	Confident	82.3	Confident	17 Å²	17	70.9 Å²	70.9	9%	0.091	37%	0.367	C	S	.	.			trans	-71.1	78.2	167.1	179.1	5.2	0	0	0	108.7	F204 D210 G211 N212 G213 I215	F204-D208 HydrophobicContact CD1-CB 4.41Å; F204-D208 HydrophobicContact CE1-CB 4.26Å; F204-D208 VanDerWaalsContact O-CB 3.31Å; F204-D208 WeakPolarHBondContact O-CB 3.45Å; F204-D208 PolarHBondContact O-N 3.2Å; D208-D210 VanDerWaalsContact C-N 3.35Å; D208-D210 VanDerWaalsContact OD1-OD1 3.13Å; D208-G211 PolarHBondContact O-N 3Å; D208-G211 WeakPolarHBondContact OD1-CA 3.29Å; D208-G211 PolarHBondContact OD1-N 3.34Å; D208-N212 PolarHBondContact OD1-N 3.04Å; D208-G213 WeakPolarHBondContact OD2-CA 3.47Å; D208-G213 PolarHBondContact OD2-N 2.66Å; D208-I215 HydrophobicContact CB-CD1 3.91Å; D208-I215 VanDerWaalsContact N-CD1 3.34Å
209	K	78.9	Confident	83	Confident	166 Å²	166	64.4 Å²	64.4	72%	0.722	34%	0.337	S	S	*	.	S	Bend	trans	-75.4	-30.2	-169.5	-78.9	-178	-179.5	171.9	0	112.2	Y207 E219	Y207-K209 PolarHBondContact O-N 2.82Å; K209-E219 PolarHBondContact N-OE1 3.4Å
210	D	82.7	Confident	83.5	Confident	102 Å²	102	59.7 Å²	59.7	55%	0.545	32%	0.315	S	S	.	.	S	Bend	trans	-90.6	-8.2	179.6	70.8	-0.6	0	0	0	112.5	D208 N212	D208-D210 VanDerWaalsContact C-N 3.35Å; D208-D210 VanDerWaalsContact OD1-OD1 3.13Å; D210-N212 PolarHBondContact O-N 3.2Å; D210-N212 WeakPolarHBondContact OD1-CB 3.32Å; D210-N212 PolarHBondContact OD1-N 3Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å; D210-N212 PolarHBondContact OD1-ND2 2.98Å; D210-N212 PolarHBondContact OD2-ND2 3.37Å
211	G	83.6	Confident	83.8	Confident	58 Å²	58	62.5 Å²	62.5	60%	0.598	33%	0.328	S	S	*	.			trans	68.5	26.2	176.9	0	0	0	0	0	112.2	D208 G213	D208-G211 PolarHBondContact O-N 3Å; D208-G211 WeakPolarHBondContact OD1-CA 3.29Å; D208-G211 PolarHBondContact OD1-N 3.34Å; G211-G213 PolarHBondContact O-N 3.05Å
212	N	83.8	Confident	84.1	Confident	49 Å²	49	62.2 Å²	62.2	26%	0.262	33%	0.331	S	S	.	.	S	Bend	trans	-77.2	-8.2	-176.6	72.2	29.8	0	0	0	112.2	D208 D210 Y214	D208-N212 PolarHBondContact OD1-N 3.04Å; D210-N212 PolarHBondContact O-N 3.2Å; D210-N212 WeakPolarHBondContact OD1-CB 3.32Å; D210-N212 PolarHBondContact OD1-N 3Å; D210-N212 VanDerWaalsContact OD1-N 3.08Å; D210-N212 PolarHBondContact OD1-ND2 2.98Å; D210-N212 PolarHBondContact OD2-ND2 3.37Å; N212-Y214 HydrophobicContact CB-CD1 4.21Å; N212-Y214 HydrophobicContact CB-CE1 3.72Å; N212-Y214 WeakPolarHBondContact ND2-CE2 3.4Å; N212-Y214 PolarHBondContact ND2-OH 3.1Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.19Å; N212-Y214 WeakPolarHBondContact OD1-CD1 3.45Å; N212-Y214 VanDerWaalsContact OD1-CD2 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CD2 3.49Å; N212-Y214 WeakPolarHBondContact OD1-CE1 3.28Å; N212-Y214 PolarHBondContact OD1-N 2.95Å; N212-Y214 PolarHBondContact OD1-O 2.99Å
213	G	82.8	Confident	84.2	Confident	37 Å²	37	58.3 Å²	58.3	38%	0.381	30%	0.304	S	S	.	.	S	Bend	trans	84.4	8.9	177.8	0	0	0	0	0	114.7	D208 G211	D208-G213 WeakPolarHBondContact OD2-CA 3.47Å; D208-G213 PolarHBondContact OD2-N 2.66Å; G211-G213 PolarHBondContact O-N 3.05Å
214	Y	85.9	Confident	84.1	Confident	49 Å²	49	56.6 Å²	56.6	19%	0.192	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.7	174.6	59.1	-95.7	0	0	0	110.6	N212 K254 L255 Y256	N212-Y214 HydrophobicContact CB-CD1 4.21Å; N212-Y214 HydrophobicContact CB-CE1 3.72Å; N212-Y214 WeakPolarHBondContact ND2-CE2 3.4Å; N212-Y214 PolarHBondContact ND2-OH 3.1Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.19Å; N212-Y214 WeakPolarHBondContact OD1-CD1 3.45Å; N212-Y214 VanDerWaalsContact OD1-CD2 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CD2 3.49Å; N212-Y214 WeakPolarHBondContact OD1-CE1 3.28Å; N212-Y214 PolarHBondContact OD1-N 2.95Å; N212-Y214 PolarHBondContact OD1-O 2.99Å; Y214-K254 HydrophobicContact CD1-CB 4.36Å; Y214-K254 HydrophobicContact CD1-CD 3.94Å; Y214-K254 HydrophobicContact CD1-CG 4.36Å; Y214-K254 HydrophobicContact CD2-CB 3.7Å; Y214-K254 HydrophobicContact CD2-CD 4.12Å; Y214-K254 HydrophobicContact CD2-CG 3.68Å; Y214-K254 HydrophobicContact CE1-CD 3.76Å; Y214-K254 HydrophobicContact CE1-CG 4.38Å; Y214-K254 HydrophobicContact CE2-CB 4.27Å; Y214-K254 HydrophobicContact CE2-CD 3.96Å; Y214-K254 HydrophobicContact CE2-CG 3.71Å; Y214-K254 HydrophobicContact CG-CB 3.77Å; Y214-K254 HydrophobicContact CG-CD 4.13Å; Y214-K254 HydrophobicContact CG-CG 4.04Å; Y214-L255 CarbonylContact C-O 3.27Å; Y214-L255 VanDerWaalsContact CA-O 3.31Å; Y214-L255 WeakPolarHBondContact CA-O 3.46Å; Y214-Y256 HydrophobicContact CD1-CE1 4.12Å; Y214-Y256 HydrophobicContact CG-CE1 4.45Å
215	I	87.4	Confident	83.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.7	173.4	-65.5	-63.1	0	0	0	107.8	F204 D208 E219 L220 L255 L260	F204-I215 HydrophobicContact CD2-CG1 4.05Å; F204-I215 HydrophobicContact CE2-CG1 3.66Å; F204-I215 HydrophobicContact CZ-CG1 4.01Å; D208-I215 HydrophobicContact CB-CD1 3.91Å; D208-I215 VanDerWaalsContact N-CD1 3.34Å; I215-E219 WeakPolarHBondContact CA-OE2 3.31Å; I215-E219 HydrophobicContact CD1-CB 4.21Å; I215-E219 HydrophobicContact CG2-CB 3.78Å; I215-L220 HydrophobicContact CG2-CB 3.78Å; I215-L220 VanDerWaalsContact CG2-N 3.3Å; I215-L255 HydrophobicContact CB-CB 4.19Å; I215-L255 PolarHBondContact N-O 2.95Å; I215-L255 WeakPolarHBondContact O-CB 3.34Å; I215-L255 PolarHBondContact O-N 3.31Å; I215-L260 HydrophobicContact CG1-CD2 4.23Å
216	D	88.1	Confident	83.6	Confident	46 Å²	46	59.7 Å²	59.7	25%	0.246	30%	0.302	C	S	.	.			trans	-84.2	178	171.8	78.2	24.9	0	0	0	112.4	Q218 E219 L220	D216-Q218 VanDerWaalsContact C-N 3.27Å; D216-Q218 PolarHBondContact O-N 3.02Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.49Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.32Å; D216-Q218 PolarHBondContact OD1-N 2.78Å; D216-E219 PolarHBondContact N-OE2 3.35Å; D216-E219 PolarHBondContact O-N 2.87Å; D216-E219 PolarHBondContact OD1-N 3.04Å; D216-L220 WeakPolarHBondContact O-CB 3.27Å; D216-L220 PolarHBondContact O-N 2.85Å
217	E	85.8	Confident	82.9	Confident	97 Å²	97	53.3 Å²	53.3	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-35.4	-178.8	-170.1	-178.4	175.6	0	0	113.3	E221 K243 M247	E217-E221 WeakPolarHBondContact O-CB 3.34Å; E217-E221 PolarHBondContact O-N 3.18Å; E217-K243 HydrophobicContact CG-CD 3.9Å; E217-K243 HydrophobicContact CG-CG 4.46Å; E217-K243 VanDerWaalsContact OE1-CE 3.31Å; E217-K243 WeakPolarHBondContact OE1-CE 3.37Å; E217-K243 IonicContact OE1-NZ 2.76Å; E217-K243 PolarHBondContact OE1-NZ 3.46Å; E217-M247 HydrophobicContact CB-CE 3.91Å; E217-M247 HydrophobicContact CB-SD 4.26Å; E217-M247 HydrophobicContact CG-CE 4.46Å; E217-M247 HydrophobicContact CG-CG 4.38Å
218	Q	85.4	Confident	82.1	Confident	156 Å²	156	53.5 Å²	53.5	73%	0.729	28%	0.279	S	S	*	.	H	α-helix	trans	-75.8	-40.5	-178.1	-60.4	176.3	29.4	0	0	110.6	D216 E221 A222	D216-Q218 VanDerWaalsContact C-N 3.27Å; D216-Q218 PolarHBondContact O-N 3.02Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.49Å; D216-Q218 WeakPolarHBondContact OD1-CB 3.32Å; D216-Q218 PolarHBondContact OD1-N 2.78Å; Q218-E221 PolarHBondContact O-N 3.07Å; Q218-A222 PolarHBondContact O-N 3.09Å; Q218-A222 VanDerWaalsContact O-N 3.08Å
219	E	87.4	Confident	81.1	Confident	18 Å²	18	59.7 Å²	59.7	8%	0.084	31%	0.308	C	S	.	.	H	α-helix	trans	-67	-40	175.3	-68.1	175.8	143.2	0	0	111.4	Y207 K209 I215 D216 E221 A222 L223	Y207-E219 VanDerWaalsContact O-CD 3.25Å; Y207-E219 VanDerWaalsContact O-CG 3.31Å; Y207-E219 WeakPolarHBondContact O-CG 3.31Å; Y207-E219 VanDerWaalsContact O-OE1 3.07Å; K209-E219 PolarHBondContact N-OE1 3.4Å; I215-E219 WeakPolarHBondContact CA-OE2 3.31Å; I215-E219 HydrophobicContact CD1-CB 4.21Å; I215-E219 HydrophobicContact CG2-CB 3.78Å; D216-E219 PolarHBondContact N-OE2 3.35Å; D216-E219 PolarHBondContact O-N 2.87Å; D216-E219 PolarHBondContact OD1-N 3.04Å; E219-E221 VanDerWaalsContact C-N 3.34Å; E219-E221 PolarHBondContact O-N 3.31Å; E219-A222 PolarHBondContact O-N 3.4Å; E219-L223 WeakPolarHBondContact O-CB 3.1Å; E219-L223 PolarHBondContact O-N 3.2Å
220	L	84.3	Confident	80.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-42.9	172.6	179.9	67.3	0	0	0	111.1	I215 D216 A222 L223 L224 K243 I246 M247 L255 L260	I215-L220 HydrophobicContact CG2-CB 3.78Å; I215-L220 VanDerWaalsContact CG2-N 3.3Å; D216-L220 WeakPolarHBondContact O-CB 3.27Å; D216-L220 PolarHBondContact O-N 2.85Å; L220-A222 VanDerWaalsContact C-N 3.3Å; L220-A222 PolarHBondContact O-N 2.67Å; L220-L223 HydrophobicContact CD1-CD2 4.34Å; L220-L223 PolarHBondContact O-N 3.23Å; L220-L224 HydrophobicContact CD1-CD1 4.32Å; L220-L224 HydrophobicContact CD1-CG 4.15Å; L220-L224 HydrophobicContact CD2-CD1 4.44Å; L220-L224 HydrophobicContact CG-CD1 4.01Å; L220-L224 HydrophobicContact CG-CG 4.25Å; L220-L224 WeakPolarHBondContact O-CB 3.42Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.4Å; L220-L224 PolarHBondContact O-N 3.22Å; L220-K243 HydrophobicContact CD2-CG 4Å; L220-I246 HydrophobicContact CD1-CD1 4.45Å; L220-I246 HydrophobicContact CD1-CG2 4Å; L220-I246 HydrophobicContact CD2-CB 4Å; L220-I246 HydrophobicContact CD2-CG2 3.93Å; L220-M247 HydrophobicContact CD2-CG 3.67Å; L220-M247 HydrophobicContact CD2-SD 3.71Å; L220-L255 HydrophobicContact CB-CD1 4.44Å; L220-L255 HydrophobicContact CD1-CD1 4.18Å; L220-L255 HydrophobicContact CD2-CD1 3.7Å; L220-L255 HydrophobicContact CG-CD1 4.31Å; L220-L260 HydrophobicContact CD1-CD1 4.01Å
221	E	82.7	Confident	78.8	Confident	59 Å²	59	56.6 Å²	56.6	28%	0.276	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-41.5	177.7	-172.9	178.4	158.5	0	0	111.5	E217 Q218 E219 R225 K243	E217-E221 WeakPolarHBondContact O-CB 3.34Å; E217-E221 PolarHBondContact O-N 3.18Å; Q218-E221 PolarHBondContact O-N 3.07Å; E219-E221 VanDerWaalsContact C-N 3.34Å; E219-E221 PolarHBondContact O-N 3.31Å; E221-R225 WeakPolarHBondContact O-CB 3.16Å; E221-R225 VanDerWaalsContact O-CG 3.25Å; E221-R225 WeakPolarHBondContact O-CG 3.4Å; E221-R225 PolarHBondContact O-N 3.11Å; E221-R225 IonicContact OE1-CZ 3.39Å; E221-R225 VanDerWaalsContact OE1-CZ 3.3Å; E221-R225 IonicContact OE1-NE 2.98Å; E221-R225 PolarHBondContact OE1-NE 3.43Å; E221-R225 IonicContact OE1-NH2 3.7Å; E221-R225 PolarHBondContact OE1-NH2 2.78Å; E221-K243 HydrophobicContact CB-CD 4.36Å
222	A	84.4	Confident	77.3	Confident	32 Å²	32	63.9 Å²	63.9	26%	0.264	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-46.7	175.3	0	0	0	0	0	111.9	Y207 Q218 E219 L220 L224 R225 D226	Y207-A222 HydrophobicContact CD1-CB 4.08Å; Y207-A222 HydrophobicContact CE1-CB 4.17Å; Q218-A222 PolarHBondContact O-N 3.09Å; Q218-A222 VanDerWaalsContact O-N 3.08Å; E219-A222 PolarHBondContact O-N 3.4Å; L220-A222 VanDerWaalsContact C-N 3.3Å; L220-A222 PolarHBondContact O-N 2.67Å; A222-L224 PolarHBondContact O-N 2.94Å; A222-R225 PolarHBondContact O-N 2.82Å; A222-D226 PolarHBondContact O-N 3.21Å; A222-D226 VanDerWaalsContact O-N 3.12Å
223	L	82.4	Confident	75.8	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-58.2	-47.3	176.8	176.9	146.1	0	0	0	111.6	I203 Y207 E219 L220 D226 L227 L260 L264	I203-L223 HydrophobicContact CG2-CD1 3.55Å; I203-L223 HydrophobicContact CG2-CG 4.31Å; Y207-L223 HydrophobicContact CD1-CB 3.92Å; Y207-L223 HydrophobicContact CD2-CB 3.85Å; Y207-L223 HydrophobicContact CD2-CD1 3.64Å; Y207-L223 HydrophobicContact CD2-CG 3.94Å; Y207-L223 HydrophobicContact CE1-CB 4.17Å; Y207-L223 HydrophobicContact CE2-CB 4.1Å; Y207-L223 HydrophobicContact CE2-CD1 4.2Å; Y207-L223 HydrophobicContact CE2-CG 4.1Å; Y207-L223 HydrophobicContact CG-CB 3.78Å; Y207-L223 HydrophobicContact CG-CD1 4.14Å; Y207-L223 HydrophobicContact CG-CG 4.37Å; E219-L223 WeakPolarHBondContact O-CB 3.1Å; E219-L223 PolarHBondContact O-N 3.2Å; L220-L223 HydrophobicContact CD1-CD2 4.34Å; L220-L223 PolarHBondContact O-N 3.23Å; L223-D226 PolarHBondContact O-N 2.87Å; L223-L227 HydrophobicContact CD2-CD1 3.61Å; L223-L227 HydrophobicContact CD2-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.32Å; L223-L227 WeakPolarHBondContact O-CG 3.22Å; L223-L227 PolarHBondContact O-N 3.46Å; L223-L227 VanDerWaalsContact O-N 3.07Å; L223-L260 HydrophobicContact CD1-CD2 4.08Å; L223-L264 HydrophobicContact CD1-CD1 4.43Å; L223-L264 HydrophobicContact CD2-CD1 3.91Å
224	L	77.8	Confident	74.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-60.5	-55.6	177.4	-69.1	175.4	0	0	0	108.7	F190 L220 A222 D226 L227 Y228 L239 K243 I246	F190-L224 HydrophobicContact CE1-CD2 4.11Å; F190-L224 HydrophobicContact CZ-CD2 3.79Å; L220-L224 HydrophobicContact CD1-CD1 4.32Å; L220-L224 HydrophobicContact CD1-CG 4.15Å; L220-L224 HydrophobicContact CD2-CD1 4.44Å; L220-L224 HydrophobicContact CG-CD1 4.01Å; L220-L224 HydrophobicContact CG-CG 4.25Å; L220-L224 WeakPolarHBondContact O-CB 3.42Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.4Å; L220-L224 PolarHBondContact O-N 3.22Å; A222-L224 PolarHBondContact O-N 2.94Å; L224-D226 PolarHBondContact O-N 3.39Å; L224-L227 CarbonylContact O-C 3.59Å; L224-L227 WeakPolarHBondContact O-CA 3.33Å; L224-L227 WeakPolarHBondContact O-CB 3.3Å; L224-L227 PolarHBondContact O-N 3.26Å; L224-Y228 HydrophobicContact CB-CD2 4.21Å; L224-Y228 HydrophobicContact CB-CE2 4.2Å; L224-Y228 HydrophobicContact CD2-CE2 4.48Å; L224-Y228 WeakPolarHBondContact O-CD2 3.33Å; L224-Y228 PolarHBondContact O-N 2.98Å; L224-L239 HydrophobicContact CB-CD1 3.71Å; L224-L239 HydrophobicContact CD1-CD1 4.45Å; L224-K243 HydrophobicContact CD1-CB 4.06Å; L224-I246 HydrophobicContact CD1-CD1 4.46Å; L224-I246 HydrophobicContact CD2-CD1 3.96Å
225	R	78.4	Confident	72.9	Confident	129 Å²	129	71.4 Å²	71.4	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-49.3	-39.2	-178.4	-78.2	174	179.7	-92.1	1.5	113.6	E221 A222 Y228 Q229 L239	E221-R225 WeakPolarHBondContact O-CB 3.16Å; E221-R225 VanDerWaalsContact O-CG 3.25Å; E221-R225 WeakPolarHBondContact O-CG 3.4Å; E221-R225 PolarHBondContact O-N 3.11Å; E221-R225 IonicContact OE1-CZ 3.39Å; E221-R225 VanDerWaalsContact OE1-CZ 3.3Å; E221-R225 IonicContact OE1-NE 2.98Å; E221-R225 PolarHBondContact OE1-NE 3.43Å; E221-R225 IonicContact OE1-NH2 3.7Å; E221-R225 PolarHBondContact OE1-NH2 2.78Å; A222-R225 PolarHBondContact O-N 2.82Å; R225-Y228 WeakPolarHBondContact O-CB 3.29Å; R225-Y228 PolarHBondContact O-N 2.71Å; R225-Q229 WeakPolarHBondContact O-CG 3.46Å; R225-Q229 PolarHBondContact O-N 2.96Å; R225-L239 HydrophobicContact CG-CD2 4.16Å
226	D	77.8	Confident	71.3	Confident	56 Å²	56	76.5 Å²	76.5	30%	0.299	38%	0.382	S	S	.	.	H	α-helix	trans	-75.8	-39	178.6	-72.7	-10.9	0	0	0	112.8	Y207 A222 L223 L224 Y228 Q229 T230	Y207-D226 WeakPolarHBondContact CE1-OD2 3.32Å; Y207-D226 WeakPolarHBondContact OH-CB 3.4Å; Y207-D226 PolarHBondContact OH-OD2 3.04Å; A222-D226 PolarHBondContact O-N 3.21Å; A222-D226 VanDerWaalsContact O-N 3.12Å; L223-D226 PolarHBondContact O-N 2.87Å; L224-D226 PolarHBondContact O-N 3.39Å; D226-Y228 VanDerWaalsContact C-N 3.25Å; D226-Y228 PolarHBondContact O-N 2.78Å; D226-Q229 PolarHBondContact O-N 2.94Å; D226-T230 PolarHBondContact O-N 2.83Å; D226-T230 VanDerWaalsContact O-N 3.16Å; D226-T230 PolarHBondContact O-OG1 3.48Å
227	L	70.3	Confident	69.8	Low	24 Å²	24	80.8 Å²	80.8	13%	0.126	41%	0.405	C	S	.	.	H	α-helix	trans	-59.7	-37.5	169	-70.8	176.1	0	0	0	111.5	V193 L223 L224 T230 K231 L264	V193-L227 HydrophobicContact CG1-CD2 4.16Å; L223-L227 HydrophobicContact CD2-CD1 3.61Å; L223-L227 HydrophobicContact CD2-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.32Å; L223-L227 WeakPolarHBondContact O-CG 3.22Å; L223-L227 PolarHBondContact O-N 3.46Å; L223-L227 VanDerWaalsContact O-N 3.07Å; L224-L227 CarbonylContact O-C 3.59Å; L224-L227 WeakPolarHBondContact O-CA 3.33Å; L224-L227 WeakPolarHBondContact O-CB 3.3Å; L224-L227 PolarHBondContact O-N 3.26Å; L227-T230 PolarHBondContact O-N 3.43Å; L227-K231 PolarHBondContact O-N 3.02Å; L227-L264 HydrophobicContact CD1-CD1 4.43Å; L227-L264 HydrophobicContact CD1-CD2 4.1Å
228	Y	67.6	Low	68.7	Low	28 Å²	28	78.7 Å²	78.7	11%	0.11	40%	0.397	C	S	.	.	H	α-helix	trans	-65.9	-45.6	174.9	-85.9	-88.4	0	0	0	112.6	F190 L224 R225 D226 T230 K231 V234 L239 Y242	F190-Y228 AromaticContact CZ-CE2 3.92Å; F190-Y228 HydrophobicContact CZ-CE2 3.92Å; F190-Y228 WeakPolarHBondContact CZ-OH 3.46Å; L224-Y228 HydrophobicContact CB-CD2 4.21Å; L224-Y228 HydrophobicContact CB-CE2 4.2Å; L224-Y228 HydrophobicContact CD2-CE2 4.48Å; L224-Y228 WeakPolarHBondContact O-CD2 3.33Å; L224-Y228 PolarHBondContact O-N 2.98Å; R225-Y228 WeakPolarHBondContact O-CB 3.29Å; R225-Y228 PolarHBondContact O-N 2.71Å; D226-Y228 VanDerWaalsContact C-N 3.25Å; D226-Y228 PolarHBondContact O-N 2.78Å; Y228-T230 PolarHBondContact O-N 3.33Å; Y228-K231 CarbonylContact O-C 3.59Å; Y228-K231 VanDerWaalsContact O-C 3.27Å; Y228-K231 PolarHBondContact O-N 3.28Å; Y228-V234 HydrophobicContact CD1-CB 3.85Å; Y228-V234 HydrophobicContact CD1-CG1 4.27Å; Y228-V234 HydrophobicContact CE1-CB 3.47Å; Y228-V234 VanDerWaalsContact CE1-CB 3.47Å; Y228-V234 HydrophobicContact CE1-CG1 3.38Å; Y228-V234 HydrophobicContact CE1-CG2 4.46Å; Y228-L239 HydrophobicContact CD2-CD1 3.17Å; Y228-L239 HydrophobicContact CE1-CD1 4.38Å; Y228-L239 HydrophobicContact CE2-CD1 3.15Å; Y228-L239 HydrophobicContact CG-CD1 4Å; Y228-Y242 AromaticContact CZ-CD2 3.84Å; Y228-Y242 WeakPolarHBondContact OH-CD2 3.49Å; Y228-Y242 WeakPolarHBondContact OH-CE2 3.16Å
229	Q	64.9	Low	67.8	Low	148 Å²	148	72.1 Å²	72.1	69%	0.692	37%	0.366	S	S	*	.	H	α-helix	trans	-61.5	-29.2	177.3	-75.8	176.2	30.2	0	0	112.3	R225 D226	R225-Q229 WeakPolarHBondContact O-CG 3.46Å; R225-Q229 PolarHBondContact O-N 2.96Å; D226-Q229 PolarHBondContact O-N 2.94Å
230	T	58.6	Low	66.9	Low	117 Å²	117	77.5 Å²	77.5	72%	0.718	39%	0.393	S	S	*	.	H	α-helix	trans	-74.6	-26.8	177.5	-47.7	0	0	0	0	112.1	D226 L227 Y228	D226-T230 PolarHBondContact O-N 2.83Å; D226-T230 VanDerWaalsContact O-N 3.16Å; D226-T230 PolarHBondContact O-OG1 3.48Å; L227-T230 PolarHBondContact O-N 3.43Å; Y228-T230 PolarHBondContact O-N 3.33Å
231	K	56.3	Low	66.3	Low	86 Å²	86	79 Å²	79	37%	0.374	41%	0.408	S	S	.	.			trans	-116.9	94.7	178.5	-69.8	-134.9	177.3	-173	0	111.5	G192 V193 L227 Y228 D233	G192-K231 PolarHBondContact O-NZ 2.7Å; V193-K231 HydrophobicContact CG2-CD 4.43Å; L227-K231 PolarHBondContact O-N 3.02Å; Y228-K231 CarbonylContact O-C 3.59Å; Y228-K231 VanDerWaalsContact O-C 3.27Å; Y228-K231 PolarHBondContact O-N 3.28Å; K231-D233 PolarHBondContact O-N 2.82Å
232	K	52	Low	65.8	Low	210 Å²	210	76.7 Å²	76.7	91%	0.913	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	5.3	-179.4	-78.3	-174.3	174.5	-179.9	0	117.4
233	D	50.7	Low	65.5	Low	164 Å²	164	76.5 Å²	76.5	88%	0.877	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	13.4	-166.5	-108.9	-28.9	0	0	0	115.3	K231	K231-D233 PolarHBondContact O-N 2.82Å
234	V	52.4	Low	65.3	Low	40 Å²	40	82.3 Å²	82.3	24%	0.242	42%	0.417	C	S	.	.	S	Bend	trans	-117.1	125.2	-178.9	-160.9	0	0	0	0	111.4	Y228 V236 Y242	Y228-V234 HydrophobicContact CD1-CB 3.85Å; Y228-V234 HydrophobicContact CD1-CG1 4.27Å; Y228-V234 HydrophobicContact CE1-CB 3.47Å; Y228-V234 VanDerWaalsContact CE1-CB 3.47Å; Y228-V234 HydrophobicContact CE1-CG1 3.38Å; Y228-V234 HydrophobicContact CE1-CG2 4.46Å; V234-V236 PolarHBondContact O-N 2.9Å; V234-Y242 HydrophobicContact CG1-CE2 4.26Å
235	D	55.5	Low	65.2	Low	89 Å²	89	82.3 Å²	82.3	48%	0.476	42%	0.418	S	S	.	.			trans	-62.8	122.4	-176.5	-169.7	-15.2	0	0	0	112.2	N237 N238	D235-N237 PolarHBondContact O-N 2.86Å; D235-N237 PolarHBondContact OD1-N 3.37Å; D235-N237 VanDerWaalsContact OD1-N 3.15Å; D235-N237 PolarHBondContact OD1-ND2 2.82Å; D235-N238 WeakPolarHBondContact O-CB 3.32Å; D235-N238 PolarHBondContact O-N 3.06Å
236	V	55	Low	65.2	Low	108 Å²	108	76.2 Å²	76.2	66%	0.655	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.3	-177	-178.2	0	0	0	0	112.1	V234 N238 L239	V234-V236 PolarHBondContact O-N 2.9Å; V236-N238 PolarHBondContact O-N 3.09Å; V236-L239 WeakPolarHBondContact O-CB 3.43Å; V236-L239 PolarHBondContact O-N 3Å; V236-L239 VanDerWaalsContact O-N 3.15Å
237	N	57.3	Low	65.4	Low	135 Å²	135	74.8 Å²	74.8	72%	0.722	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.5	177.5	-67	-49.5	0	0	0	112.8	D235 L239	D235-N237 PolarHBondContact O-N 2.86Å; D235-N237 PolarHBondContact OD1-N 3.37Å; D235-N237 VanDerWaalsContact OD1-N 3.15Å; D235-N237 PolarHBondContact OD1-ND2 2.82Å; N237-L239 VanDerWaalsContact C-N 3.32Å
238	N	61.8	Low	65.9	Low	54 Å²	54	75.2 Å²	75.2	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-81.8	-12.2	177.5	-63.4	-37.3	0	0	0	113	K189 D235 V236 M240 G241 Y242	K189-N238 PolarHBondContact NZ-ND2 2.85Å; D235-N238 WeakPolarHBondContact O-CB 3.32Å; D235-N238 PolarHBondContact O-N 3.06Å; V236-N238 PolarHBondContact O-N 3.09Å; N238-M240 VanDerWaalsContact C-N 3.29Å; N238-M240 PolarHBondContact O-N 2.93Å; N238-G241 PolarHBondContact O-N 3.23Å; N238-G241 VanDerWaalsContact O-N 3.17Å; N238-Y242 HydrophobicContact CB-CD2 4.03Å; N238-Y242 HydrophobicContact CB-CE1 4.18Å; N238-Y242 HydrophobicContact CB-CE2 3.32Å; N238-Y242 VanDerWaalsContact CB-CZ 3.42Å; N238-Y242 WeakPolarHBondContact CB-OH 3.4Å; N238-Y242 WeakPolarHBondContact O-CD2 3.23Å; N238-Y242 PolarHBondContact O-N 2.87Å
239	L	65.9	Low	66.3	Low	17 Å²	17	74 Å²	74	9%	0.089	39%	0.387	C	S	.	.	H	α-helix	trans	-56.1	-42.5	-179.1	-172.9	78.9	0	0	0	112.1	L224 R225 Y228 V236 N237 Y242 K243	L224-L239 HydrophobicContact CB-CD1 3.71Å; L224-L239 HydrophobicContact CD1-CD1 4.45Å; R225-L239 HydrophobicContact CG-CD2 4.16Å; Y228-L239 HydrophobicContact CD2-CD1 3.17Å; Y228-L239 HydrophobicContact CE1-CD1 4.38Å; Y228-L239 HydrophobicContact CE2-CD1 3.15Å; Y228-L239 HydrophobicContact CG-CD1 4Å; V236-L239 WeakPolarHBondContact O-CB 3.43Å; V236-L239 PolarHBondContact O-N 3Å; V236-L239 VanDerWaalsContact O-N 3.15Å; N237-L239 VanDerWaalsContact C-N 3.32Å; L239-Y242 PolarHBondContact O-N 3.13Å; L239-K243 WeakPolarHBondContact O-CB 3.33Å; L239-K243 PolarHBondContact O-N 3.46Å
240	M	69.6	Low	67.1	Low	131 Å²	131	67.5 Å²	67.5	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-65.8	-43.4	179.3	-70.9	-147.1	-60.7	0	0	111.7	N238 Y242 K243 E244	N238-M240 VanDerWaalsContact C-N 3.29Å; N238-M240 PolarHBondContact O-N 2.93Å; M240-Y242 VanDerWaalsContact C-N 3.29Å; M240-Y242 PolarHBondContact O-N 3.2Å; M240-K243 PolarHBondContact O-N 3.4Å; M240-E244 WeakPolarHBondContact O-CG 3.4Å; M240-E244 PolarHBondContact O-N 3.08Å
241	G	70.4	Confident	68.2	Low	31 Å²	31	65.1 Å²	65.1	32%	0.32	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-36.6	176.3	0	0	0	0	0	112.5	N238 E244 S245	N238-G241 PolarHBondContact O-N 3.23Å; N238-G241 VanDerWaalsContact O-N 3.17Å; G241-E244 PolarHBondContact O-N 2.97Å; G241-S245 WeakPolarHBondContact O-CB 3.42Å; G241-S245 PolarHBondContact O-N 3.48Å; G241-S245 PolarHBondContact O-OG 2.78Å
242	Y	71.9	Confident	69.4	Low	11 Å²	11	64.8 Å²	64.8	4%	0.043	36%	0.362	C	S	.	.	H	α-helix	trans	-71	-40.4	175.9	-56.6	-32.3	0	0	0	113	F186 K189 F190 Y228 V234 N238 L239 M240 E244 S245 I246	F186-Y242 HydrophobicContact CB-CD1 3.09Å; F186-Y242 HydrophobicContact CB-CE1 3.22Å; F186-Y242 HydrophobicContact CB-CG 4.06Å; F186-Y242 HydrophobicContact CG-CD1 4.11Å; K189-Y242 VanDerWaalsContact CD-OH 3.24Å; K189-Y242 WeakPolarHBondContact CD-OH 3.36Å; K189-Y242 WeakPolarHBondContact CE-OH 3.42Å; K189-Y242 PolarHBondContact NZ-OH 2.89Å; F190-Y242 HydrophobicContact CE2-CD2 4Å; F190-Y242 HydrophobicContact CE2-CE2 4.45Å; F190-Y242 HydrophobicContact CE2-CG 4.03Å; F190-Y242 HydrophobicContact CZ-CD2 4.48Å; Y228-Y242 AromaticContact CZ-CD2 3.84Å; Y228-Y242 WeakPolarHBondContact OH-CD2 3.49Å; Y228-Y242 WeakPolarHBondContact OH-CE2 3.16Å; V234-Y242 HydrophobicContact CG1-CE2 4.26Å; N238-Y242 HydrophobicContact CB-CD2 4.03Å; N238-Y242 HydrophobicContact CB-CE1 4.18Å; N238-Y242 HydrophobicContact CB-CE2 3.32Å; N238-Y242 VanDerWaalsContact CB-CZ 3.42Å; N238-Y242 WeakPolarHBondContact CB-OH 3.4Å; N238-Y242 WeakPolarHBondContact O-CD2 3.23Å; N238-Y242 PolarHBondContact O-N 2.87Å; L239-Y242 PolarHBondContact O-N 3.13Å; M240-Y242 VanDerWaalsContact C-N 3.29Å; M240-Y242 PolarHBondContact O-N 3.2Å; Y242-E244 VanDerWaalsContact C-N 3.35Å; Y242-S245 PolarHBondContact O-N 3.4Å; Y242-I246 VanDerWaalsContact O-CG1 3.27Å; Y242-I246 WeakPolarHBondContact O-CG1 3.48Å; Y242-I246 PolarHBondContact O-N 2.9Å
243	K	79	Confident	70.8	Confident	29 Å²	29	56.2 Å²	56.2	13%	0.126	33%	0.333	C	S	.	.	H	α-helix	trans	-57.7	-49.9	172.5	-173.8	-173	64.6	159.9	0	110.2	E217 L220 E221 L224 L239 M240 S245 I246 M247	E217-K243 HydrophobicContact CG-CD 3.9Å; E217-K243 HydrophobicContact CG-CG 4.46Å; E217-K243 VanDerWaalsContact OE1-CE 3.31Å; E217-K243 WeakPolarHBondContact OE1-CE 3.37Å; E217-K243 IonicContact OE1-NZ 2.76Å; E217-K243 PolarHBondContact OE1-NZ 3.46Å; L220-K243 HydrophobicContact CD2-CG 4Å; E221-K243 HydrophobicContact CB-CD 4.36Å; L224-K243 HydrophobicContact CD1-CB 4.06Å; L239-K243 WeakPolarHBondContact O-CB 3.33Å; L239-K243 PolarHBondContact O-N 3.46Å; M240-K243 PolarHBondContact O-N 3.4Å; K243-S245 VanDerWaalsContact C-N 3.35Å; K243-S245 PolarHBondContact O-N 2.88Å; K243-I246 PolarHBondContact O-N 2.93Å; K243-M247 HydrophobicContact CG-CG 4.29Å; K243-M247 VanDerWaalsContact O-CB 3.26Å; K243-M247 WeakPolarHBondContact O-CB 3.48Å; K243-M247 WeakPolarHBondContact O-CG 3.36Å; K243-M247 PolarHBondContact O-N 3.39Å
244	E	78.3	Confident	72.5	Confident	121 Å²	121	52 Å²	52	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-61.1	-42.3	178	-73.6	-179.1	172.6	0	0	112.3	T110 M240 G241 Y242 M247 S248	T110-E244 HydrophobicContact CG2-CB 4.12Å; M240-E244 WeakPolarHBondContact O-CG 3.4Å; M240-E244 PolarHBondContact O-N 3.08Å; G241-E244 PolarHBondContact O-N 2.97Å; Y242-E244 VanDerWaalsContact C-N 3.35Å; E244-M247 PolarHBondContact O-N 2.97Å; E244-S248 PolarHBondContact O-N 3.26Å
245	S	74.9	Confident	74.1	Confident	1 Å²	1	50 Å²	50	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-47.6	177.5	-59.8	0	0	0	0	112.1	S109 G241 Y242 K243 S248	S109-S245 WeakPolarHBondContact CB-OG 3.48Å; S109-S245 PolarHBondContact OG-OG 3.12Å; G241-S245 WeakPolarHBondContact O-CB 3.42Å; G241-S245 PolarHBondContact O-N 3.48Å; G241-S245 PolarHBondContact O-OG 2.78Å; Y242-S245 PolarHBondContact O-N 3.4Å; K243-S245 VanDerWaalsContact C-N 3.35Å; K243-S245 PolarHBondContact O-N 2.88Å; S245-S248 PolarHBondContact O-N 3.5Å; S245-S248 PolarHBondContact O-OG 2.78Å
246	I	78.2	Confident	75.4	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-69.7	-42.8	179.3	-61.7	168.8	0	0	0	109.9	F186 L220 L224 Y242 K243 S248 L249 L255 L260 V263	F186-I246 HydrophobicContact CD2-CG1 4.45Å; F186-I246 HydrophobicContact CE2-CD1 4.4Å; F186-I246 HydrophobicContact CE2-CG1 3.79Å; F186-I246 HydrophobicContact CZ-CG1 4.31Å; L220-I246 HydrophobicContact CD1-CD1 4.45Å; L220-I246 HydrophobicContact CD1-CG2 4Å; L220-I246 HydrophobicContact CD2-CB 4Å; L220-I246 HydrophobicContact CD2-CG2 3.93Å; L224-I246 HydrophobicContact CD1-CD1 4.46Å; L224-I246 HydrophobicContact CD2-CD1 3.96Å; Y242-I246 VanDerWaalsContact O-CG1 3.27Å; Y242-I246 WeakPolarHBondContact O-CG1 3.48Å; Y242-I246 PolarHBondContact O-N 2.9Å; K243-I246 PolarHBondContact O-N 2.93Å; I246-S248 PolarHBondContact O-N 3.01Å; I246-S248 VanDerWaalsContact O-N 3.15Å; I246-L249 VanDerWaalsContact O-CB 3.31Å; I246-L249 WeakPolarHBondContact O-CB 3.29Å; I246-L249 PolarHBondContact O-N 2.9Å; I246-L255 HydrophobicContact CG2-CD1 3.73Å; I246-L255 HydrophobicContact CG2-CD2 4.18Å; I246-L255 WeakPolarHBondContact O-CD2 3.28Å; I246-L260 HydrophobicContact CG2-CD1 4.1Å; I246-V263 HydrophobicContact CD1-CG1 4.13Å; I246-V263 HydrophobicContact CG1-CG1 4.15Å
247	M	82.4	Confident	76.6	Confident	26 Å²	26	50 Å²	50	13%	0.128	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-22	177.2	-73.8	-58.7	-64.9	0	0	113.4	E217 L220 K243 E244 L249 S250 L255	E217-M247 HydrophobicContact CB-CE 3.91Å; E217-M247 HydrophobicContact CB-SD 4.26Å; E217-M247 HydrophobicContact CG-CE 4.46Å; E217-M247 HydrophobicContact CG-CG 4.38Å; L220-M247 HydrophobicContact CD2-CG 3.67Å; L220-M247 HydrophobicContact CD2-SD 3.71Å; K243-M247 HydrophobicContact CG-CG 4.29Å; K243-M247 VanDerWaalsContact O-CB 3.26Å; K243-M247 WeakPolarHBondContact O-CB 3.48Å; K243-M247 WeakPolarHBondContact O-CG 3.36Å; K243-M247 PolarHBondContact O-N 3.39Å; E244-M247 PolarHBondContact O-N 2.97Å; M247-L249 PolarHBondContact O-N 3.03Å; M247-S250 WeakPolarHBondContact O-CB 3.24Å; M247-S250 PolarHBondContact O-N 3.1Å; M247-S250 PolarHBondContact O-OG 3.34Å; M247-L255 HydrophobicContact SD-CD1 3.51Å; M247-L255 VanDerWaalsContact SD-CD1 3.51Å; M247-L255 HydrophobicContact SD-CG 4.17Å
248	S	80.4	Confident	77.5	Confident	32 Å²	32	45.4 Å²	45.4	22%	0.224	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.3	172.7	75.2	0	0	0	0	113.6	M113 E244 S245 I246 S250	M113-S248 WeakPolarHBondContact CB-OG 3.1Å; E244-S248 PolarHBondContact O-N 3.26Å; S245-S248 PolarHBondContact O-N 3.5Å; S245-S248 PolarHBondContact O-OG 2.78Å; I246-S248 PolarHBondContact O-N 3.01Å; I246-S248 VanDerWaalsContact O-N 3.15Å; S248-S250 VanDerWaalsContact C-N 3.26Å
249	L	76.5	Confident	78.2	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.1	167	-70.9	179	0	0	0	113	M113 R117 I246 M247 L255 E259 V263	M113-L249 HydrophobicContact CB-CD2 4.32Å; M113-L249 HydrophobicContact CB-CG 4.43Å; M113-L249 HydrophobicContact CE-CD1 3.17Å; M113-L249 HydrophobicContact CE-CD2 3.67Å; M113-L249 HydrophobicContact CE-CG 3.27Å; R117-L249 HydrophobicContact CB-CD2 4.25Å; R117-L249 VanDerWaalsContact CD-O 3.26Å; R117-L249 WeakPolarHBondContact CD-O 3.5Å; R117-L249 PolarHBondContact NE-O 3.31Å; I246-L249 VanDerWaalsContact O-CB 3.31Å; I246-L249 WeakPolarHBondContact O-CB 3.29Å; I246-L249 PolarHBondContact O-N 2.9Å; M247-L249 PolarHBondContact O-N 3.03Å; L249-L255 HydrophobicContact CB-CD2 4.05Å; L249-E259 HydrophobicContact CB-CB 4.29Å; L249-E259 VanDerWaalsContact O-CD 3.31Å; L249-V263 HydrophobicContact CD1-CG2 3.58Å
250	S	83	Confident	78.7	Confident	11 Å²	11	42.6 Å²	42.6	8%	0.077	25%	0.246	C	C	.	.	S	Bend	trans	-70.5	145.6	-171.9	80.2	0	0	0	0	112.9	R117 M247 S248 G252 G253 K254	R117-S250 PolarHBondContact NH1-O 3.28Å; M247-S250 WeakPolarHBondContact O-CB 3.24Å; M247-S250 PolarHBondContact O-N 3.1Å; M247-S250 PolarHBondContact O-OG 3.34Å; S248-S250 VanDerWaalsContact C-N 3.26Å; S250-G252 PolarHBondContact O-N 3.13Å; S250-G252 VanDerWaalsContact O-N 3.15Å; S250-G253 VanDerWaalsContact OG-CA 3.24Å; S250-G253 WeakPolarHBondContact OG-CA 3.48Å; S250-G253 PolarHBondContact OG-N 3Å; S250-K254 CarbonylContact C-O 3.55Å; S250-K254 WeakPolarHBondContact CA-O 3.45Å
251	D	81.2	Confident	79	Confident	67 Å²	67	38.8 Å²	38.8	36%	0.358	23%	0.227	S	C	.	.	S	Bend	trans	-83.1	85.9	172.8	-147.3	-5.9	0	0	0	111.8	R117 R123 G253 K254 Y256	R117-D251 IonicContact CZ-OD1 3.92Å; R117-D251 IonicContact NH2-OD1 3.94Å; R117-D251 PolarHBondContact NH2-OD1 3.22Å; R117-D251 IonicContact NH2-OD2 3.77Å; R117-D251 PolarHBondContact NH2-OD2 3.39Å; R123-D251 IonicContact CZ-OD2 3.93Å; R123-D251 IonicContact NH1-OD2 3.35Å; R123-D251 IonicContact NH2-OD2 3.62Å; R123-D251 PolarHBondContact NH2-OD2 2.94Å; D251-G253 VanDerWaalsContact C-N 3.34Å; D251-G253 PolarHBondContact O-N 2.95Å; D251-K254 PolarHBondContact N-O 2.63Å; D251-K254 WeakPolarHBondContact O-CB 3.25Å; D251-K254 PolarHBondContact O-N 3.14Å; D251-Y256 HydrophobicContact CB-CD2 4.32Å; D251-Y256 HydrophobicContact CB-CE2 3.79Å
252	G	80.9	Confident	79.1	Confident	79 Å²	79	39.1 Å²	39.1	81%	0.814	22%	0.221	S	C	*	.	S	Bend	trans	65.4	37.6	-179.1	0	0	0	0	0	112.8	S250	S250-G252 PolarHBondContact O-N 3.13Å; S250-G252 VanDerWaalsContact O-N 3.15Å
253	G	81.4	Confident	78.9	Confident	29 Å²	29	39.2 Å²	39.2	30%	0.299	22%	0.222	S	C	.	.	S	Bend	trans	93	6	-178.2	0	0	0	0	0	114.6	S250 D251	S250-G253 VanDerWaalsContact OG-CA 3.24Å; S250-G253 WeakPolarHBondContact OG-CA 3.48Å; S250-G253 PolarHBondContact OG-N 3Å; D251-G253 VanDerWaalsContact C-N 3.34Å; D251-G253 PolarHBondContact O-N 2.95Å
254	K	86.3	Confident	78.4	Confident	75 Å²	75	38 Å²	38	33%	0.326	22%	0.218	S	C	.	.			trans	-113.8	111.3	-179.2	-57.3	-175.2	175.9	-166.3	0	110.6	Y214 S250 D251 Y256	Y214-K254 HydrophobicContact CD1-CB 4.36Å; Y214-K254 HydrophobicContact CD1-CD 3.94Å; Y214-K254 HydrophobicContact CD1-CG 4.36Å; Y214-K254 HydrophobicContact CD2-CB 3.7Å; Y214-K254 HydrophobicContact CD2-CD 4.12Å; Y214-K254 HydrophobicContact CD2-CG 3.68Å; Y214-K254 HydrophobicContact CE1-CD 3.76Å; Y214-K254 HydrophobicContact CE1-CG 4.38Å; Y214-K254 HydrophobicContact CE2-CB 4.27Å; Y214-K254 HydrophobicContact CE2-CD 3.96Å; Y214-K254 HydrophobicContact CE2-CG 3.71Å; Y214-K254 HydrophobicContact CG-CB 3.77Å; Y214-K254 HydrophobicContact CG-CD 4.13Å; Y214-K254 HydrophobicContact CG-CG 4.04Å; S250-K254 CarbonylContact C-O 3.55Å; S250-K254 WeakPolarHBondContact CA-O 3.45Å; D251-K254 PolarHBondContact N-O 2.63Å; D251-K254 WeakPolarHBondContact O-CB 3.25Å; D251-K254 PolarHBondContact O-N 3.14Å; K254-Y256 HydrophobicContact CB-CE2 4.04Å
255	L	85.1	Confident	77.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	104.8	174.5	-76.4	161.6	0	0	0	110	Y214 I215 L220 I246 M247 L249 E259	Y214-L255 CarbonylContact C-O 3.27Å; Y214-L255 VanDerWaalsContact CA-O 3.31Å; Y214-L255 WeakPolarHBondContact CA-O 3.46Å; I215-L255 HydrophobicContact CB-CB 4.19Å; I215-L255 PolarHBondContact N-O 2.95Å; I215-L255 WeakPolarHBondContact O-CB 3.34Å; I215-L255 PolarHBondContact O-N 3.31Å; L220-L255 HydrophobicContact CB-CD1 4.44Å; L220-L255 HydrophobicContact CD1-CD1 4.18Å; L220-L255 HydrophobicContact CD2-CD1 3.7Å; L220-L255 HydrophobicContact CG-CD1 4.31Å; I246-L255 HydrophobicContact CG2-CD1 3.73Å; I246-L255 HydrophobicContact CG2-CD2 4.18Å; I246-L255 WeakPolarHBondContact O-CD2 3.28Å; M247-L255 HydrophobicContact SD-CD1 3.51Å; M247-L255 VanDerWaalsContact SD-CD1 3.51Å; M247-L255 HydrophobicContact SD-CG 4.17Å; L249-L255 HydrophobicContact CB-CD2 4.05Å; L255-E259 WeakPolarHBondContact CA-OE2 3.23Å; L255-E259 HydrophobicContact CD2-CB 4.1Å
256	Y	84.8	Confident	76.7	Confident	86 Å²	86	37.2 Å²	37.2	34%	0.337	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	162.8	174.3	-64.1	-81.1	0	0	0	110.8	Y214 D251 K254 G258 E259 L260	Y214-Y256 HydrophobicContact CD1-CE1 4.12Å; Y214-Y256 HydrophobicContact CG-CE1 4.45Å; D251-Y256 HydrophobicContact CB-CD2 4.32Å; D251-Y256 HydrophobicContact CB-CE2 3.79Å; K254-Y256 HydrophobicContact CB-CE2 4.04Å; Y256-G258 VanDerWaalsContact C-N 3.27Å; Y256-G258 PolarHBondContact O-N 3.49Å; Y256-E259 PolarHBondContact N-OE2 3.06Å; Y256-E259 PolarHBondContact O-N 3.36Å; Y256-L260 PolarHBondContact O-N 3.49Å; Y256-L260 VanDerWaalsContact O-N 3.16Å
257	R	79.6	Confident	75.1	Confident	109 Å²	109	43.6 Å²	43.6	41%	0.411	24%	0.242	S	C	.	.	H	α-helix	trans	-48.2	-47.1	179.8	-174.3	179.6	158.8	170.5	-8	113.2	F200 N201 F204 E259 L260 E261	F200-R257 HydrophobicContact CE1-CG 3.76Å; F200-R257 HydrophobicContact CZ-CG 4.43Å; N201-R257 PolarHBondContact ND2-NH2 2.91Å; N201-R257 PolarHBondContact OD1-NE 3.37Å; N201-R257 PolarHBondContact OD1-NH1 3.25Å; N201-R257 VanDerWaalsContact OD1-NH1 3.16Å; N201-R257 PolarHBondContact OD1-NH2 2.81Å; F204-R257 HydrophobicContact CD2-CB 4.42Å; F204-R257 HydrophobicContact CD2-CG 4.44Å; F204-R257 HydrophobicContact CE1-CB 4.49Å; F204-R257 VanDerWaalsContact CE2-CA 3.49Å; F204-R257 HydrophobicContact CE2-CB 4.01Å; F204-R257 HydrophobicContact CZ-CB 4.05Å; R257-E259 PolarHBondContact O-N 3.38Å; R257-L260 PolarHBondContact O-N 3.44Å; R257-E261 IonicContact NE-OE2 3.59Å; R257-E261 WeakPolarHBondContact O-CB 3.28Å; R257-E261 PolarHBondContact O-N 2.88Å
258	G	74.9	Confident	72.7	Confident	39 Å²	39	47.1 Å²	47.1	40%	0.402	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-45	-179.6	0	0	0	0	0	112.7	Y256 L260 E261 I262	Y256-G258 VanDerWaalsContact C-N 3.27Å; Y256-G258 PolarHBondContact O-N 3.49Å; G258-L260 PolarHBondContact O-N 3.19Å; G258-E261 PolarHBondContact O-N 3.03Å; G258-I262 WeakPolarHBondContact O-CD1 3.44Å; G258-I262 WeakPolarHBondContact O-CG1 3.48Å; G258-I262 PolarHBondContact O-N 2.93Å; G258-I262 VanDerWaalsContact O-N 3.11Å
259	E	77.4	Confident	70.5	Confident	13 Å²	13	49.5 Å²	49.5	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-41.1	-178.9	-67.7	152.4	175.9	0	0	111.8	R117 R123 L249 L255 Y256 R257	R117-E259 IonicContact NE-OE1 2.96Å; R117-E259 IonicContact NH2-OE1 2.79Å; R123-E259 IonicContact NH1-OE1 3.77Å; R123-E259 PolarHBondContact NH1-OE1 3.44Å; L249-E259 HydrophobicContact CB-CB 4.29Å; L249-E259 VanDerWaalsContact O-CD 3.31Å; L255-E259 WeakPolarHBondContact CA-OE2 3.23Å; L255-E259 HydrophobicContact CD2-CB 4.1Å; Y256-E259 PolarHBondContact N-OE2 3.06Å; Y256-E259 PolarHBondContact O-N 3.36Å; R257-E259 PolarHBondContact O-N 3.38Å
260	L	77.1	Confident	68.3	Low	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-75.6	-31.2	178.3	-164.1	73.5	0	0	0	112.3	F200 F204 I215 L220 L223 I246 Y256 R257 G258 I262 V263 L264	F200-L260 HydrophobicContact CE2-CB 4.19Å; F200-L260 HydrophobicContact CE2-CD2 3.98Å; F200-L260 HydrophobicContact CE2-CG 3.93Å; F200-L260 HydrophobicContact CZ-CB 3.96Å; F200-L260 HydrophobicContact CZ-CD2 4.19Å; F200-L260 HydrophobicContact CZ-CG 4.18Å; F204-L260 HydrophobicContact CD2-CD2 3.83Å; F204-L260 HydrophobicContact CE2-CD2 4.2Å; I215-L260 HydrophobicContact CG1-CD2 4.23Å; L220-L260 HydrophobicContact CD1-CD1 4.01Å; L223-L260 HydrophobicContact CD1-CD2 4.08Å; I246-L260 HydrophobicContact CG2-CD1 4.1Å; Y256-L260 PolarHBondContact O-N 3.49Å; Y256-L260 VanDerWaalsContact O-N 3.16Å; R257-L260 PolarHBondContact O-N 3.44Å; G258-L260 PolarHBondContact O-N 3.19Å; L260-I262 VanDerWaalsContact C-N 3.34Å; L260-V263 PolarHBondContact O-N 2.9Å; L260-L264 HydrophobicContact CD1-CD1 4.05Å; L260-L264 HydrophobicContact CD2-CD1 4.12Å; L260-L264 HydrophobicContact CG-CD1 3.82Å; L260-L264 HydrophobicContact CG-CG 4.43Å; L260-L264 PolarHBondContact O-N 2.81Å
261	E	75.7	Confident	67.5	Low	50 Å²	50	60.2 Å²	60.2	23%	0.234	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-38.9	177	-166.9	159.1	-165.4	0	0	110.5	F200 R257 G258 V263 L264 C265	F200-E261 HydrophobicContact CD1-CB 4.38Å; F200-E261 HydrophobicContact CD1-CG 4.2Å; F200-E261 HydrophobicContact CE1-CB 3.65Å; F200-E261 HydrophobicContact CE1-CG 3.95Å; F200-E261 HydrophobicContact CE2-CB 4.41Å; F200-E261 VanDerWaalsContact CZ-CA 3.46Å; F200-E261 HydrophobicContact CZ-CB 3.68Å; F200-E261 HydrophobicContact CZ-CG 4.35Å; F200-E261 VanDerWaalsContact CZ-N 3.3Å; R257-E261 IonicContact NE-OE2 3.59Å; R257-E261 WeakPolarHBondContact O-CB 3.28Å; R257-E261 PolarHBondContact O-N 2.88Å; G258-E261 PolarHBondContact O-N 3.03Å; E261-V263 PolarHBondContact O-N 3.46Å; E261-L264 PolarHBondContact O-N 3.13Å; E261-C265 HydrophobicContact CG-CB 3.7Å; E261-C265 WeakPolarHBondContact O-CA 3.42Å; E261-C265 VanDerWaalsContact O-CB 3.26Å; E261-C265 WeakPolarHBondContact O-CB 3.29Å; E261-C265 PolarHBondContact O-N 3.28Å
262	I	71.8	Confident	66.8	Low	38 Å²	38	59.8 Å²	59.8	20%	0.195	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-35	175.4	-64.3	161.4	0	0	0	111.9	L173 G258 L260	L173-I262 HydrophobicContact CB-CG2 3.53Å; L173-I262 HydrophobicContact CD2-CG2 3.53Å; L173-I262 HydrophobicContact CG-CG2 4.04Å; G258-I262 WeakPolarHBondContact O-CD1 3.44Å; G258-I262 WeakPolarHBondContact O-CG1 3.48Å; G258-I262 PolarHBondContact O-N 2.93Å; G258-I262 VanDerWaalsContact O-N 3.11Å; L260-I262 VanDerWaalsContact C-N 3.34Å
263	V	68.9	Low	66	Low	13 Å²	13	58.7 Å²	58.7	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-84.5	-39	-177.5	177.8	0	0	0	0	112.4	M113 L173 F186 L187 I246 L249 L260 E261	M113-V263 HydrophobicContact CE-CG2 4.14Å; L173-V263 HydrophobicContact CD2-CG2 4.06Å; F186-V263 HydrophobicContact CE2-CG1 3.76Å; L187-V263 HydrophobicContact CD2-CG1 4.25Å; I246-V263 HydrophobicContact CD1-CG1 4.13Å; I246-V263 HydrophobicContact CG1-CG1 4.15Å; L249-V263 HydrophobicContact CD1-CG2 3.58Å; L260-V263 PolarHBondContact O-N 2.9Å; E261-V263 PolarHBondContact O-N 3.46Å
264	L	68.6	Low	65.1	Low	5 Å²	5	60.5 Å²	60.5	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-106.7	-20.9	-168.2	-64.2	-178.7	0	0	0	114.6	F190 L195 F200 L223 L227 L260 E261	F190-L264 HydrophobicContact CD1-CD2 4.27Å; L195-L264 HydrophobicContact CD1-CB 4.41Å; F200-L264 HydrophobicContact CD2-CB 4.01Å; F200-L264 HydrophobicContact CD2-CD1 4.46Å; F200-L264 HydrophobicContact CE2-CB 4.02Å; F200-L264 HydrophobicContact CE2-CD1 4.16Å; L223-L264 HydrophobicContact CD1-CD1 4.43Å; L223-L264 HydrophobicContact CD2-CD1 3.91Å; L227-L264 HydrophobicContact CD1-CD1 4.43Å; L227-L264 HydrophobicContact CD1-CD2 4.1Å; L260-L264 HydrophobicContact CD1-CD1 4.05Å; L260-L264 HydrophobicContact CD2-CD1 4.12Å; L260-L264 HydrophobicContact CG-CD1 3.82Å; L260-L264 HydrophobicContact CG-CG 4.43Å; L260-L264 PolarHBondContact O-N 2.81Å; E261-L264 PolarHBondContact O-N 3.13Å
265	C	59.6	Low	63.8	Low	24 Å²	24	59.6 Å²	59.6	16%	0.162	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-100	127.1	175.4	-77	0	0	0	0	110.2	F200 E261	F200-C265 WeakPolarHBondContact CB-SG 3.46Å; F200-C265 WeakPolarHBondContact CG-SG 3.47Å; E261-C265 HydrophobicContact CG-CB 3.7Å; E261-C265 WeakPolarHBondContact O-CA 3.42Å; E261-C265 VanDerWaalsContact O-CB 3.26Å; E261-C265 WeakPolarHBondContact O-CB 3.29Å; E261-C265 PolarHBondContact O-N 3.28Å
266	R	55.8	Low	62.4	Low	80 Å²	80	63.5 Å²	63.5	30%	0.302	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-98	123.5	164.7	-135	-172	-173.7	-178.4	6.2	107.2	I269	R266-I269 VanDerWaalsContact NH2-CD1 3.25Å
267	E	44.8	Very low	60.8	Low	136 Å²	136	61.9 Å²	61.9	64%	0.636	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-67	140.9	149.9	-74.4	-164.8	136.1	0	0	107.9	Y126 I269	Y126-E267 PolarHBondContact OH-OE2 2.7Å; E267-I269 PolarHBondContact O-N 3.39Å
268	P	32.5	Very low	59.4	Low	100 Å²	100	58.3 Å²	58.3	65%	0.649	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-58.8	130.6	-179	23	-30.5	0	0	0	109.4	V270	P268-V270 VanDerWaalsContact C-N 3.3Å; P268-V270 HydrophobicContact CB-CG2 4.43Å; P268-V270 HydrophobicContact CG-CG2 4.28Å; P268-V270 PolarHBondContact O-N 2.99Å
269	I	33.7	Very low	58.1	Low	82 Å²	82	59.9 Å²	59.9	42%	0.421	32%	0.32	S	S	.	.			trans	-61.3	104.3	155.7	-56.5	173	0	0	0	104.2	R266 E267	R266-I269 VanDerWaalsContact NH2-CD1 3.25Å; E267-I269 PolarHBondContact O-N 3.39Å
270	V	30.8	Very low	56.3	Low	178 Å²	178	64.2 Å²	64.2	100%	1.079	34%	0.344	S	S	*	.			trans	-81.7	0	173.1	-179.4	0	0	0	0	108.3	P268	P268-V270 VanDerWaalsContact C-N 3.3Å; P268-V270 HydrophobicContact CB-CG2 4.43Å; P268-V270 HydrophobicContact CG-CG2 4.28Å; P268-V270 PolarHBondContact O-N 2.99Å

Retrieved 270 of 270 residues in 411.5 ms (Link to these results)

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