A0A060VX24_ONCMY Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A060VX24, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 485 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	33.1	Very low	194 Å²	194	97.3 Å²	97.3	96%	0.956	55%	0.546	S	S	*	.				0	124.4	0	-74.2	168	65.2	0	0	108.2	L6	M1-L6 HydrophobicContact CB-CD1 4.49Å
2	S	31.9	Very low	33.3	Very low	61 Å²	61	97.5 Å²	97.5	43%	0.427	54%	0.544	S	S	.	.			trans	-73.2	144.3	-179.1	59.4	0	0	0	0	110.2	P4 L5	S2-P4 WeakPolarHBondContact O-CD 3.35Å; S2-P4 VanDerWaalsContact O-N 3.09Å; S2-L5 PolarHBondContact O-N 2.76Å
3	V	31.4	Very low	33.1	Very low	102 Å²	102	94.8 Å²	94.8	62%	0.618	54%	0.536	S	S	*	.	H	α-helix	trans	-48.2	-31.1	179.5	-178	0	0	0	0	115	L6 K7	V3-L6 PolarHBondContact O-N 3.49Å; V3-K7 PolarHBondContact O-N 3.22Å
4	P	35.6	Very low	33.2	Very low	74 Å²	74	92.9 Å²	92.9	48%	0.481	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-39.6	173.8	-21.5	33.6	0	0	0	114	S2 L6 K7 I8	S2-P4 WeakPolarHBondContact O-CD 3.35Å; S2-P4 VanDerWaalsContact O-N 3.09Å; P4-L6 VanDerWaalsContact C-N 3.31Å; P4-L6 PolarHBondContact O-N 2.85Å; P4-K7 PolarHBondContact O-N 3.49Å; P4-I8 WeakPolarHBondContact O-CD1 3.32Å; P4-I8 VanDerWaalsContact O-CG1 3.27Å; P4-I8 WeakPolarHBondContact O-CG1 3.42Å; P4-I8 PolarHBondContact O-N 3.43Å
5	L	30.1	Very low	33.4	Very low	92 Å²	92	90.7 Å²	90.7	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-67.1	-33.5	179.4	-76.3	161.1	0	0	0	111.9	S2 G9	S2-L5 PolarHBondContact O-N 2.76Å; L5-G9 PolarHBondContact O-N 3.34Å
6	L	30	Very low	33.4	Very low	102 Å²	102	87.3 Å²	87.3	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-68.5	-38.3	173.5	-104	134.1	0	0	0	112	M1 V3 P4 G9 V10	M1-L6 HydrophobicContact CB-CD1 4.49Å; V3-L6 PolarHBondContact O-N 3.49Å; P4-L6 VanDerWaalsContact C-N 3.31Å; P4-L6 PolarHBondContact O-N 2.85Å; L6-G9 PolarHBondContact O-N 2.93Å; L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 2.87Å; L6-V10 PolarHBondContact O-N 3.47Å
7	K	34.5	Very low	33.2	Very low	149 Å²	149	89.9 Å²	89.9	65%	0.648	51%	0.508	S	S	*	.	H	α-helix	trans	-69.6	-37.8	174.9	-73.4	-173.8	176.2	-174.6	0	112.3	V3 P4 V10 V11	V3-K7 PolarHBondContact O-N 3.22Å; P4-K7 PolarHBondContact O-N 3.49Å; K7-V10 PolarHBondContact O-N 3.09Å; K7-V11 WeakPolarHBondContact O-CG2 3.48Å; K7-V11 PolarHBondContact O-N 3.02Å
8	I	37.8	Very low	33.6	Very low	92 Å²	92	88.1 Å²	88.1	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-64.5	-43.4	173.5	-67.2	162.6	0	0	0	110.6	P4 V10 V11 L12	P4-I8 WeakPolarHBondContact O-CD1 3.32Å; P4-I8 VanDerWaalsContact O-CG1 3.27Å; P4-I8 WeakPolarHBondContact O-CG1 3.42Å; P4-I8 PolarHBondContact O-N 3.43Å; I8-V10 VanDerWaalsContact C-N 3.31Å; I8-V10 PolarHBondContact O-N 3.33Å; I8-V11 PolarHBondContact O-N 3.02Å; I8-L12 HydrophobicContact CG2-CD1 3.72Å; I8-L12 HydrophobicContact CG2-CG 4.34Å; I8-L12 WeakPolarHBondContact O-CB 3.24Å; I8-L12 WeakPolarHBondContact O-CG 3.21Å; I8-L12 PolarHBondContact O-N 3.47Å
9	G	30.6	Very low	34	Very low	37 Å²	37	84.2 Å²	84.2	38%	0.381	48%	0.475	S	S	.	.	H	α-helix	trans	-61.4	-36.2	175.1	0	0	0	0	0	113.5	L5 L6 S13	L5-G9 PolarHBondContact O-N 3.34Å; L6-G9 PolarHBondContact O-N 2.93Å; G9-S13 WeakPolarHBondContact O-CB 3.28Å; G9-S13 PolarHBondContact O-N 2.96Å
10	V	31.9	Very low	34.1	Very low	90 Å²	90	83.7 Å²	83.7	55%	0.545	47%	0.471	S	S	.	.	H	α-helix	trans	-70.9	-41.7	175.3	171.7	0	0	0	0	111.7	L6 K7 I8 S13 T14	L6-V10 VanDerWaalsContact O-CG2 3.29Å; L6-V10 WeakPolarHBondContact O-CG2 2.87Å; L6-V10 PolarHBondContact O-N 3.47Å; K7-V10 PolarHBondContact O-N 3.09Å; I8-V10 VanDerWaalsContact C-N 3.31Å; I8-V10 PolarHBondContact O-N 3.33Å; V10-S13 PolarHBondContact O-N 3.35Å; V10-T14 WeakPolarHBondContact O-CG2 3.46Å; V10-T14 PolarHBondContact O-N 3.47Å; V10-T14 PolarHBondContact O-OG1 3.22Å; V10-T14 VanDerWaalsContact O-OG1 3.11Å
11	V	36.1	Very low	34.5	Very low	77 Å²	77	85.9 Å²	85.9	47%	0.467	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-47.5	175.4	173	0	0	0	0	110.7	K7 I8 S13 T14 M15	K7-V11 WeakPolarHBondContact O-CG2 3.48Å; K7-V11 PolarHBondContact O-N 3.02Å; I8-V11 PolarHBondContact O-N 3.02Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 3.03Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 3.44Å; V11-T14 PolarHBondContact O-OG1 3Å; V11-M15 HydrophobicContact CG1-SD 4.15Å; V11-M15 WeakPolarHBondContact O-CB 3.4Å; V11-M15 WeakPolarHBondContact O-CG 3.29Å; V11-M15 PolarHBondContact O-N 2.88Å
12	L	35.6	Very low	34.8	Very low	100 Å²	100	78.6 Å²	78.6	52%	0.524	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-37.4	175.6	-72.4	168.1	0	0	0	112.5	I8 M15 A16	I8-L12 HydrophobicContact CG2-CD1 3.72Å; I8-L12 HydrophobicContact CG2-CG 4.34Å; I8-L12 WeakPolarHBondContact O-CB 3.24Å; I8-L12 WeakPolarHBondContact O-CG 3.21Å; I8-L12 PolarHBondContact O-N 3.47Å; L12-M15 PolarHBondContact O-N 3.34Å; L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.43Å
13	S	31	Very low	35.3	Very low	62 Å²	62	76.3 Å²	76.3	43%	0.434	42%	0.42	S	S	.	.	H	α-helix	trans	-71.8	-36.6	177.9	-170.4	0	0	0	0	112.6	G9 V10 V11 A16 M17	G9-S13 WeakPolarHBondContact O-CB 3.28Å; G9-S13 PolarHBondContact O-N 2.96Å; V10-S13 PolarHBondContact O-N 3.35Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 3.03Å; S13-A16 PolarHBondContact O-N 3.22Å; S13-M17 PolarHBondContact O-N 3.06Å; S13-M17 VanDerWaalsContact O-N 3.12Å
14	T	34.3	Very low	35.9	Very low	69 Å²	69	76.7 Å²	76.7	42%	0.423	42%	0.415	S	S	.	.	H	α-helix	trans	-69	-36.2	171.3	52.7	0	0	0	0	112.3	V10 V11 M17 I18	V10-T14 WeakPolarHBondContact O-CG2 3.46Å; V10-T14 PolarHBondContact O-N 3.47Å; V10-T14 PolarHBondContact O-OG1 3.22Å; V10-T14 VanDerWaalsContact O-OG1 3.11Å; V11-T14 WeakPolarHBondContact CA-OG1 3.23Å; V11-T14 PolarHBondContact O-N 3.44Å; V11-T14 PolarHBondContact O-OG1 3Å; T14-M17 PolarHBondContact O-N 3.5Å; T14-I18 WeakPolarHBondContact O-CD1 3.47Å; T14-I18 VanDerWaalsContact O-CG1 3.24Å; T14-I18 WeakPolarHBondContact O-CG1 3.43Å; T14-I18 PolarHBondContact O-N 2.92Å
15	M	35.6	Very low	36.3	Very low	59 Å²	59	75.3 Å²	75.3	29%	0.291	41%	0.405	S	S	.	.	H	α-helix	trans	-65.5	-41.2	172.1	-74.4	-178.9	153	0	0	111.2	V11 L12 M17 I18 T19	V11-M15 HydrophobicContact CG1-SD 4.15Å; V11-M15 WeakPolarHBondContact O-CB 3.4Å; V11-M15 WeakPolarHBondContact O-CG 3.29Å; V11-M15 PolarHBondContact O-N 2.88Å; L12-M15 PolarHBondContact O-N 3.34Å; M15-M17 PolarHBondContact O-N 2.93Å; M15-I18 PolarHBondContact O-N 2.96Å; M15-T19 WeakPolarHBondContact O-CB 3.3Å; M15-T19 WeakPolarHBondContact O-CG2 3.42Å; M15-T19 PolarHBondContact O-N 3.23Å; M15-T19 PolarHBondContact O-OG1 3.03Å
16	A	34	Very low	37	Very low	37 Å²	37	72 Å²	72	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-39.2	175.7	0	0	0	0	0	113.8	L12 S13 T19 N20 F477	L12-A16 WeakPolarHBondContact O-CB 3.48Å; L12-A16 PolarHBondContact O-N 3.43Å; S13-A16 PolarHBondContact O-N 3.22Å; A16-T19 WeakPolarHBondContact CA-OG1 3.37Å; A16-T19 PolarHBondContact O-OG1 2.94Å; A16-N20 WeakPolarHBondContact O-CB 3.27Å; A16-N20 PolarHBondContact O-N 3.21Å; A16-N20 VanDerWaalsContact O-N 3.07Å; A16-F477 HydrophobicContact CB-CE2 3.94Å; A16-F477 HydrophobicContact CB-CZ 4.43Å
17	M	30.7	Very low	37.7	Very low	132 Å²	132	67.6 Å²	67.6	65%	0.65	37%	0.365	S	S	*	.	H	α-helix	trans	-69.4	-38.5	176	-92.4	-172.4	-97.2	0	0	112.8	S13 T14 M15 W21	S13-M17 PolarHBondContact O-N 3.06Å; S13-M17 VanDerWaalsContact O-N 3.12Å; T14-M17 PolarHBondContact O-N 3.5Å; M15-M17 PolarHBondContact O-N 2.93Å; M17-W21 PolarHBondContact O-N 3.45Å; M17-W21 VanDerWaalsContact O-N 3.16Å
18	I	38.9	Very low	38.2	Very low	56 Å²	56	63.5 Å²	63.5	29%	0.287	36%	0.355	S	S	.	.	H	α-helix	trans	-70.6	-40.2	178.3	-67.5	164.9	0	0	0	110.9	T14 M15 W21 M22	T14-I18 WeakPolarHBondContact O-CD1 3.47Å; T14-I18 VanDerWaalsContact O-CG1 3.24Å; T14-I18 WeakPolarHBondContact O-CG1 3.43Å; T14-I18 PolarHBondContact O-N 2.92Å; M15-I18 PolarHBondContact O-N 2.96Å; I18-W21 PolarHBondContact O-N 2.78Å; I18-M22 HydrophobicContact CG2-CE 3.41Å; I18-M22 VanDerWaalsContact CG2-CE 3.41Å; I18-M22 HydrophobicContact CG2-CG 4.4Å; I18-M22 WeakPolarHBondContact O-CG 3.43Å; I18-M22 PolarHBondContact O-N 2.81Å
19	T	41.3	Very low	38.3	Very low	15 Å²	15	64 Å²	64	9%	0.092	36%	0.358	C	S	.	.	H	α-helix	trans	-69.8	-36.5	179.3	47.8	0	0	0	0	112.4	M15 A16 W21 M22 S23 F477 H478	M15-T19 WeakPolarHBondContact O-CB 3.3Å; M15-T19 WeakPolarHBondContact O-CG2 3.42Å; M15-T19 PolarHBondContact O-N 3.23Å; M15-T19 PolarHBondContact O-OG1 3.03Å; A16-T19 WeakPolarHBondContact CA-OG1 3.37Å; A16-T19 PolarHBondContact O-OG1 2.94Å; T19-W21 VanDerWaalsContact C-N 3.35Å; T19-M22 PolarHBondContact O-N 3.39Å; T19-S23 WeakPolarHBondContact O-CB 3.23Å; T19-S23 PolarHBondContact O-N 3.29Å; T19-F477 HydrophobicContact CG2-CE1 4.37Å; T19-H478 HydrophobicContact CG2-CB 3.52Å; T19-H478 VanDerWaalsContact CG2-O 3.22Å; T19-H478 WeakPolarHBondContact CG2-O 3.36Å
20	N	37.7	Very low	38.7	Very low	74 Å²	74	63.2 Å²	63.2	40%	0.396	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-41.1	170.4	-165.2	36	0	0	0	111.5	A16 Q24	A16-N20 WeakPolarHBondContact O-CB 3.27Å; A16-N20 PolarHBondContact O-N 3.21Å; A16-N20 VanDerWaalsContact O-N 3.07Å; N20-Q24 VanDerWaalsContact O-CB 3.29Å; N20-Q24 WeakPolarHBondContact O-CB 3.09Å; N20-Q24 WeakPolarHBondContact O-CG 3.37Å; N20-Q24 PolarHBondContact O-N 3.35Å; N20-Q24 PolarHBondContact OD1-NE2 2.91Å
21	W	42.1	Very low	39.2	Very low	129 Å²	129	61 Å²	61	49%	0.489	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-41.5	174.7	-174.3	84.8	0	0	0	112.5	M17 I18 T19 T25 L26 L29	M17-W21 PolarHBondContact O-N 3.45Å; M17-W21 VanDerWaalsContact O-N 3.16Å; I18-W21 PolarHBondContact O-N 2.78Å; T19-W21 VanDerWaalsContact C-N 3.35Å; W21-T25 VanDerWaalsContact O-CA 3.26Å; W21-T25 WeakPolarHBondContact O-CA 3.39Å; W21-T25 WeakPolarHBondContact O-CB 3.39Å; W21-T25 PolarHBondContact O-N 3.4Å; W21-T25 PolarHBondContact O-OG1 3.29Å; W21-L26 HydrophobicContact CH2-CD1 4.36Å; W21-L26 HydrophobicContact CZ3-CD1 3.81Å; W21-L26 PolarHBondContact O-N 3.05Å; W21-L29 HydrophobicContact CH2-CD1 4Å; W21-L29 HydrophobicContact CZ2-CD1 3.69Å
22	M	40.6	Very low	39.3	Very low	41 Å²	41	59.1 Å²	59.1	20%	0.202	33%	0.328	C	S	.	.	H	α-helix	trans	-68.1	-39.8	176.4	-69.2	-161.5	-155.5	0	0	112.6	I18 T19 L26 P27 L111	I18-M22 HydrophobicContact CG2-CE 3.41Å; I18-M22 VanDerWaalsContact CG2-CE 3.41Å; I18-M22 HydrophobicContact CG2-CG 4.4Å; I18-M22 WeakPolarHBondContact O-CG 3.43Å; I18-M22 PolarHBondContact O-N 2.81Å; T19-M22 PolarHBondContact O-N 3.39Å; M22-L26 HydrophobicContact CG-CD1 4.34Å; M22-L26 WeakPolarHBondContact O-CB 3.21Å; M22-P27 WeakPolarHBondContact O-CD 3.18Å; M22-L111 HydrophobicContact CE-CD1 3.87Å; M22-L111 HydrophobicContact SD-CD1 4.48Å
23	S	41.3	Very low	39.6	Very low	13 Å²	13	58.1 Å²	58.1	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-70.3	-38.5	180	-173.2	0	0	0	0	112.5	T19 P27 R459 L476	T19-S23 WeakPolarHBondContact O-CB 3.23Å; T19-S23 PolarHBondContact O-N 3.29Å; S23-P27 WeakPolarHBondContact O-CG 3.39Å; S23-R459 PolarHBondContact O-NH1 2.86Å; S23-L476 PolarHBondContact OG-O 2.93Å
24	Q	44.5	Very low	39.9	Very low	111 Å²	111	59.7 Å²	59.7	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-99.8	-32.9	-174.2	-60.1	-169.9	-1.6	0	0	114.5	N20	N20-Q24 VanDerWaalsContact O-CB 3.29Å; N20-Q24 WeakPolarHBondContact O-CB 3.09Å; N20-Q24 WeakPolarHBondContact O-CG 3.37Å; N20-Q24 PolarHBondContact O-N 3.35Å; N20-Q24 PolarHBondContact OD1-NE2 2.91Å
25	T	44.5	Very low	40	Very low	44 Å²	44	59.1 Å²	59.1	27%	0.27	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-37.7	-169	-33.1	0	0	0	0	112.3	W21 S28 L29	W21-T25 VanDerWaalsContact O-CA 3.26Å; W21-T25 WeakPolarHBondContact O-CA 3.39Å; W21-T25 WeakPolarHBondContact O-CB 3.39Å; W21-T25 PolarHBondContact O-N 3.4Å; W21-T25 PolarHBondContact O-OG1 3.29Å; T25-S28 PolarHBondContact O-N 3.16Å; T25-S28 PolarHBondContact O-OG 3.05Å; T25-L29 HydrophobicContact CG2-CD1 4Å; T25-L29 PolarHBondContact O-N 2.88Å
26	L	43.6	Very low	39.8	Very low	23 Å²	23	64 Å²	64	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-55.8	-46.1	177.5	-142.1	98.3	0	0	0	111.8	W21 M22 S28 L29 V30 M222	W21-L26 HydrophobicContact CH2-CD1 4.36Å; W21-L26 HydrophobicContact CZ3-CD1 3.81Å; W21-L26 PolarHBondContact O-N 3.05Å; M22-L26 HydrophobicContact CG-CD1 4.34Å; M22-L26 WeakPolarHBondContact O-CB 3.21Å; L26-S28 PolarHBondContact O-N 3.17Å; L26-L29 PolarHBondContact O-N 3.38Å; L26-L29 VanDerWaalsContact O-N 3.1Å; L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 3.21Å; L26-M222 HydrophobicContact CD2-CE 3.79Å
27	P	45.6	Very low	39.8	Very low	10 Å²	10	66.8 Å²	66.8	7%	0.065	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-33.2	177	-24.9	35.9	0	0	0	113.4	M22 S23 G31 L32	M22-P27 WeakPolarHBondContact O-CD 3.18Å; S23-P27 WeakPolarHBondContact O-CG 3.39Å; P27-G31 PolarHBondContact O-N 3.34Å; P27-L32 HydrophobicContact CB-CB 3.92Å; P27-L32 HydrophobicContact CB-CD1 4.32Å; P27-L32 WeakPolarHBondContact O-CB 3.43Å; P27-L32 PolarHBondContact O-N 2.81Å
28	S	45.5	Very low	39.6	Very low	63 Å²	63	65.3 Å²	65.3	44%	0.441	35%	0.354	S	S	.	.	H	α-helix	trans	-73.8	-35	176.5	75.1	0	0	0	0	113.1	T25 L26 V30	T25-S28 PolarHBondContact O-N 3.16Å; T25-S28 PolarHBondContact O-OG 3.05Å; L26-S28 PolarHBondContact O-N 3.17Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.03Å
29	L	38.7	Very low	39.2	Very low	102 Å²	102	67.7 Å²	67.7	53%	0.534	38%	0.382	S	S	.	.	H	α-helix	trans	-72.2	-24.9	179.9	-78.4	157	0	0	0	113.1	W21 T25 L26	W21-L29 HydrophobicContact CH2-CD1 4Å; W21-L29 HydrophobicContact CZ2-CD1 3.69Å; T25-L29 HydrophobicContact CG2-CD1 4Å; T25-L29 PolarHBondContact O-N 2.88Å; L26-L29 PolarHBondContact O-N 3.38Å; L26-L29 VanDerWaalsContact O-N 3.1Å
30	V	39.4	Very low	38.4	Very low	21 Å²	21	75.4 Å²	75.4	13%	0.127	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	9.8	177.1	-82.1	0	0	0	0	114.5	L26 S28 L32 M222	L26-V30 WeakPolarHBondContact O-CG2 3.2Å; L26-V30 PolarHBondContact O-N 3.21Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.03Å; V30-L32 HydrophobicContact CG2-CD1 4.16Å; V30-L32 HydrophobicContact CG2-CG 4.28Å; V30-M222 HydrophobicContact CB-CE 4.2Å; V30-M222 HydrophobicContact CG1-CE 4.02Å; V30-M222 HydrophobicContact CG2-CE 3.48Å; V30-M222 VanDerWaalsContact CG2-CE 3.48Å
31	G	41.3	Very low	38.2	Very low	43 Å²	43	84.3 Å²	84.3	44%	0.443	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	25.6	173	0	0	0	0	0	115.1	P27 N33	P27-G31 PolarHBondContact O-N 3.34Å; G31-N33 VanDerWaalsContact C-N 3.3Å
32	L	39.8	Very low	37.4	Very low	37 Å²	37	83 Å²	83	19%	0.194	46%	0.463	C	S	.	.			trans	-79.1	-14.6	171.3	-68.5	173.9	0	0	0	112.7	P27 V30 R219 M222	P27-L32 HydrophobicContact CB-CB 3.92Å; P27-L32 HydrophobicContact CB-CD1 4.32Å; P27-L32 WeakPolarHBondContact O-CB 3.43Å; P27-L32 PolarHBondContact O-N 2.81Å; V30-L32 HydrophobicContact CG2-CD1 4.16Å; V30-L32 HydrophobicContact CG2-CG 4.28Å; L32-R219 HydrophobicContact CD2-CG 3.77Å; L32-M222 HydrophobicContact CD1-CB 4.01Å
33	N	40.2	Very low	36.8	Very low	80 Å²	80	84.6 Å²	84.6	43%	0.428	49%	0.489	S	S	.	.			trans	-103.1	67.7	-177.1	-149.2	-4.5	0	0	0	110.3	G31 T35	G31-N33 VanDerWaalsContact C-N 3.3Å; N33-T35 VanDerWaalsContact C-N 3.26Å
34	T	38.9	Very low	36.2	Very low	95 Å²	95	95.4 Å²	95.4	58%	0.583	53%	0.529	S	S	*	.			trans	-82.6	-0.9	177.7	40.8	0	0	0	0	113.5
35	T	36.3	Very low	35.5	Very low	57 Å²	57	95.8 Å²	95.8	35%	0.35	54%	0.542	S	S	.	.			trans	-127	66.1	-180	41.6	0	0	0	0	111.3	N33 I37	N33-T35 VanDerWaalsContact C-N 3.26Å; T35-I37 VanDerWaalsContact C-N 3.27Å; T35-I37 PolarHBondContact O-N 2.86Å
36	K	30.4	Very low	34.6	Very low	161 Å²	161	101.5 Å²	101.5	70%	0.7	57%	0.571	S	S	*	*			trans	-65.4	95.2	154.6	-85.4	-172.2	178	179.8	0	108	T38	K36-T38 PolarHBondContact O-N 3.13Å; K36-T38 PolarHBondContact O-OG1 3.27Å
37	I	34.5	Very low	34	Very low	95 Å²	95	111.3 Å²	111.3	49%	0.487	61%	0.606	S	S	.	*			trans	-66.6	87.7	166	-56.7	177	0	0	0	106.6	T35 L471	T35-I37 VanDerWaalsContact C-N 3.27Å; T35-I37 PolarHBondContact O-N 2.86Å; I37-L471 HydrophobicContact CD1-CD1 4.24Å
38	T	26.7	Very low	33.1	Very low	102 Å²	102	116 Å²	116	63%	0.626	64%	0.639	S	S	*	*			trans	-102.3	110.5	167.9	30.1	0	0	0	0	106.2	K36 E40	K36-T38 PolarHBondContact O-N 3.13Å; K36-T38 PolarHBondContact O-OG1 3.27Å; T38-E40 PolarHBondContact O-N 3.37Å
39	A	29.8	Very low	32.3	Very low	106 Å²	106	119.6 Å²	119.6	88%	0.876	66%	0.659	S	S	*	*			trans	-74.1	80.6	174.2	0	0	0	0	0	109
40	E	25.5	Very low	31.9	Very low	176 Å²	176	118.2 Å²	118.2	82%	0.822	67%	0.669	S	S	*	*			trans	-91.6	122.8	167.2	-76.6	-169.3	164.5	0	0	110.3	T38 A42	T38-E40 PolarHBondContact O-N 3.37Å; E40-A42 PolarHBondContact O-N 3.33Å
41	R	32.2	Very low	31.4	Very low	261 Å²	261	124.2 Å²	124.2	99%	0.985	71%	0.705	S	S	*	*			trans	-66.2	115.1	171.5	-82.3	175.8	170.5	173.4	-3.4	109.2
42	A	26.9	Very low	30.9	Very low	103 Å²	103	130 Å²	130	85%	0.851	73%	0.725	S	S	*	*			trans	-113.5	130.2	168	0	0	0	0	0	110.7	E40	E40-A42 PolarHBondContact O-N 3.33Å
43	G	26.9	Very low	30.6	Very low	73 Å²	73	134 Å²	134	75%	0.753	75%	0.753	S	S	*	*			trans	-74.6	164.7	-175.2	0	0	0	0	0	114.8
44	Y	28.1	Very low	30.4	Very low	240 Å²	240	134.6 Å²	134.6	94%	0.941	77%	0.77	S	S	*	*			trans	-55.6	144.1	176.6	-95.1	-96	0	0	0	113.9
45	P	30.1	Very low	30.5	Very low	120 Å²	120	135 Å²	135	78%	0.779	77%	0.768	S	S	*	*			trans	-114.7	142	147.2	32	-19.4	0	0	0	112.2
46	D	25.8	Very low	30.8	Very low	164 Å²	164	136.8 Å²	136.8	88%	0.877	78%	0.78	S	S	*	*			trans	-76.4	159.5	-178.6	-156	-3.1	0	0	0	112.3
47	R	31.3	Very low	31.5	Very low	228 Å²	228	136.7 Å²	136.7	86%	0.86	78%	0.783	S	S	*	*			trans	-97.4	129.2	-168.1	-168.4	-175	-165	-174	3.9	109.6
48	S	26.3	Very low	31.8	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	80%	0.797	S	S	*	*			trans	-173.8	135.9	146.1	-84.9	0	0	0	0	115.3
49	T	28.4	Very low	32.5	Very low	139 Å²	139	138.3 Å²	138.3	85%	0.853	79%	0.788	S	S	*	*			trans	68.2	102.3	154.1	57.3	0	0	0	0	121.6
50	G	31.5	Very low	33.4	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	78%	0.777	S	S	*	*				77.3	120	107.8	0	0	0	0	0	120.4
51	V	28.5	Very low	34.6	Very low	146 Å²	146	138 Å²	138	89%	0.885	76%	0.761	S	S	*	*			trans	93.7	111.8	164.4	-164.6	0	0	0	0	115.6
52	L	31	Very low	35.5	Very low	166 Å²	166	130 Å²	130	87%	0.869	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-64.6	130.8	171.1	-72	156.8	0	0	0	110.5
53	P	33.9	Very low	36.4	Very low	119 Å²	119	134 Å²	134	77%	0.773	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-84.6	121.1	159.2	13.3	2.8	0	0	0	109	N55	P53-N55 PolarHBondContact O-N 3.03Å
54	A	35.9	Very low	37.5	Very low	94 Å²	94	133.4 Å²	133.4	78%	0.777	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-61.9	132.7	160.5	0	0	0	0	0	108.4
55	N	39.8	Very low	38.6	Very low	104 Å²	104	126.2 Å²	126.2	56%	0.556	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-61.2	122.6	-172.5	-149.1	17	0	0	0	110.6	P53 E57	P53-N55 PolarHBondContact O-N 3.03Å; N55-E57 PolarHBondContact O-N 2.94Å
56	P	43.5	Very low	39.7	Very low	93 Å²	93	123.5 Å²	123.5	60%	0.604	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-11.3	-175.9	-14.4	28.7	0	0	0	114.2
57	E	44.6	Very low	41.2	Very low	160 Å²	160	122.1 Å²	122.1	75%	0.748	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-4.2	-167.9	-65.4	-164	152.8	0	0	115.1	N55	N55-E57 PolarHBondContact O-N 2.94Å
58	E	42.1	Very low	42.3	Very low	168 Å²	168	113.4 Å²	113.4	79%	0.785	65%	0.651	S	S	*	*	S	Bend	trans	-127.5	6.2	-172.2	-70.8	-172.3	156.3	0	0	115.8
59	S	41	Very low	43.9	Very low	63 Å²	63	114.4 Å²	114.4	44%	0.441	66%	0.658	S	S	.	*	S	Bend	trans	-128.7	135.2	-178	55.8	0	0	0	0	113.7	Q61	S59-Q61 PolarHBondContact O-N 3.37Å
60	W	48.4	Very low	45.7	Very low	169 Å²	169	114.4 Å²	114.4	64%	0.64	65%	0.648	S	S	*	*			trans	-63.9	124.3	173.3	-68.2	77.9	0	0	0	109.8	V77 A79	W60-V77 HydrophobicContact CE3-CG2 4.37Å; W60-V77 HydrophobicContact CZ3-CG2 4.36Å; W60-A79 HydrophobicContact CE3-CB 4.04Å; W60-A79 HydrophobicContact CH2-CB 3.76Å; W60-A79 HydrophobicContact CZ3-CB 3.4Å
61	Q	50.3	Low	46.7	Very low	106 Å²	106	112.9 Å²	112.9	50%	0.495	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	118.9	177.3	-66.8	-172.6	-6.7	0	0	110.5	S59 V78	S59-Q61 PolarHBondContact O-N 3.37Å; Q61-V78 PolarHBondContact O-N 2.91Å
62	V	51.2	Low	47.9	Very low	94 Å²	94	112.8 Å²	112.8	57%	0.57	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.5	117.3	174	-174.8	0	0	0	0	108.1	C75 V77	V62-C75 HydrophobicContact CG1-CB 4.18Å; V62-V77 HydrophobicContact CB-CG1 4.28Å; V62-V77 HydrophobicContact CG1-CG1 4.33Å; V62-V77 HydrophobicContact CG2-CG1 3.83Å
63	Y	45.9	Very low	48.9	Very low	187 Å²	187	109.5 Å²	109.5	73%	0.733	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92.2	-32.8	-172.6	-141.9	-92.6	0	0	0	112.4	T76 V78	Y63-T76 PolarHBondContact N-O 3.44Å; Y63-V78 HydrophobicContact CD2-CG2 4.17Å
64	S	50	Low	49.6	Very low	59 Å²	59	107.5 Å²	107.5	41%	0.413	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-157.9	150.2	172.2	61.1	0	0	0	0	111.6	C75 T76	S64-C75 CarbonylContact O-C 3.48Å; S64-C75 WeakPolarHBondContact O-CA 3.48Å; S64-T76 PolarHBondContact N-O 3.11Å; S64-T76 PolarHBondContact O-N 2.95Å; S64-T76 PolarHBondContact OG-OG1 3.33Å
65	S	50.8	Low	50.5	Low	89 Å²	89	106.3 Å²	106.3	62%	0.622	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.2	133.7	166.4	57.9	0	0	0	0	109.7	V74 C75	S65-V74 WeakPolarHBondContact CA-O 3.42Å; S65-C75 VanDerWaalsContact CB-SG 3.59Å
66	A	54	Low	51.1	Low	63 Å²	63	105.4 Å²	105.4	52%	0.521	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136	156	177.1	0	0	0	0	0	109.3	V74	A66-V74 PolarHBondContact N-O 2.89Å; A66-V74 WeakPolarHBondContact O-CA 3.47Å; A66-V74 PolarHBondContact O-N 2.83Å; A66-V74 VanDerWaalsContact O-O 3.1Å
67	Q	56.1	Low	51.4	Low	135 Å²	135	104.3 Å²	104.3	63%	0.631	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.2	130.7	-179.7	-153.8	170.2	14.9	0	0	109.4	G71 R72	Q67-G71 PolarHBondContact NE2-O 3.46Å; Q67-R72 CarbonylContact C-O 3.57Å; Q67-R72 WeakPolarHBondContact CA-O 3.34Å; Q67-R72 WeakPolarHBondContact CG-O 3.48Å
68	D	54.9	Low	51.5	Low	45 Å²	45	100.9 Å²	100.9	24%	0.241	56%	0.557	C	S	.	*			trans	-74.5	170	177.4	75.3	7.6	0	0	0	111.6	E70 G71 R72 V74	D68-E70 PolarHBondContact O-N 3.37Å; D68-E70 WeakPolarHBondContact OD1-CA 3.44Å; D68-E70 PolarHBondContact OD1-N 3.4Å; D68-G71 PolarHBondContact O-N 3.36Å; D68-G71 PolarHBondContact OD1-N 2.97Å; D68-G71 VanDerWaalsContact OD1-N 3.13Å; D68-R72 PolarHBondContact N-O 3.25Å; D68-R72 PolarHBondContact OD1-N 2.96Å; D68-R72 IonicContact OD2-CZ 2.77Å; D68-R72 IonicContact OD2-NE 3.15Å; D68-R72 PolarHBondContact OD2-NE 3.37Å; D68-R72 IonicContact OD2-NH2 3.07Å; D68-R72 PolarHBondContact OD2-NH2 2.84Å; D68-V74 HydrophobicContact CB-CG2 4.22Å
69	S	60.1	Low	51.7	Low	130 Å²	130	95.2 Å²	95.2	91%	0.909	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.7	-178.4	51	0	0	0	0	114.5
70	E	66.8	Low	52.1	Low	139 Å²	139	94.4 Å²	94.4	65%	0.65	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	5.6	175.3	-63.1	-176.4	162.9	0	0	112.3	D68 R72	D68-E70 PolarHBondContact O-N 3.37Å; D68-E70 WeakPolarHBondContact OD1-CA 3.44Å; D68-E70 PolarHBondContact OD1-N 3.4Å; E70-R72 IonicContact OE2-CZ 2.72Å; E70-R72 IonicContact OE2-NH1 3.78Å; E70-R72 PolarHBondContact OE2-NH1 2.79Å; E70-R72 VanDerWaalsContact OE2-NH1 3.07Å; E70-R72 IonicContact OE2-NH2 3.31Å; E70-R72 PolarHBondContact OE2-NH2 2.94Å
71	G	52.3	Low	51.8	Low	42 Å²	42	95.8 Å²	95.8	43%	0.433	55%	0.545	S	S	.	.	S	Bend	trans	85.3	13.6	175.6	0	0	0	0	0	114.7	Q67 D68	Q67-G71 PolarHBondContact NE2-O 3.46Å; D68-G71 PolarHBondContact O-N 3.36Å; D68-G71 PolarHBondContact OD1-N 2.97Å; D68-G71 VanDerWaalsContact OD1-N 3.13Å
72	R	53.5	Low	51.6	Low	143 Å²	143	98.8 Å²	98.8	54%	0.54	56%	0.56	S	S	.	*			trans	-92.6	137.1	176.9	-59.9	-178.2	-62.9	-127.1	-13.4	111.3	Q67 D68 E70 V74	Q67-R72 CarbonylContact C-O 3.57Å; Q67-R72 WeakPolarHBondContact CA-O 3.34Å; Q67-R72 WeakPolarHBondContact CG-O 3.48Å; D68-R72 PolarHBondContact N-O 3.25Å; D68-R72 PolarHBondContact OD1-N 2.96Å; D68-R72 IonicContact OD2-CZ 2.77Å; D68-R72 IonicContact OD2-NE 3.15Å; D68-R72 PolarHBondContact OD2-NE 3.37Å; D68-R72 IonicContact OD2-NH2 3.07Å; D68-R72 PolarHBondContact OD2-NH2 2.84Å; E70-R72 IonicContact OE2-CZ 2.72Å; E70-R72 IonicContact OE2-NH1 3.78Å; E70-R72 PolarHBondContact OE2-NH1 2.79Å; E70-R72 VanDerWaalsContact OE2-NH1 3.07Å; E70-R72 IonicContact OE2-NH2 3.31Å; E70-R72 PolarHBondContact OE2-NH2 2.94Å; R72-V74 PolarHBondContact O-N 2.73Å
73	C	52.3	Low	51.4	Low	97 Å²	97	98.7 Å²	98.7	66%	0.655	56%	0.563	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.9	124.6	173	-84.1	0	0	0	0	111
74	V	48.6	Very low	51.1	Low	78 Å²	78	97.8 Å²	97.8	47%	0.473	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	117.7	173.6	-176.5	0	0	0	0	108.1	S65 A66 D68 R72	S65-V74 WeakPolarHBondContact CA-O 3.42Å; A66-V74 PolarHBondContact N-O 2.89Å; A66-V74 WeakPolarHBondContact O-CA 3.47Å; A66-V74 PolarHBondContact O-N 2.83Å; A66-V74 VanDerWaalsContact O-O 3.1Å; D68-V74 HydrophobicContact CB-CG2 4.22Å; R72-V74 PolarHBondContact O-N 2.73Å
75	C	53.4	Low	50.7	Low	69 Å²	69	100.9 Å²	100.9	47%	0.466	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	132.6	178.8	-63	0	0	0	0	110.4	V62 S64 S65	V62-C75 HydrophobicContact CG1-CB 4.18Å; S64-C75 CarbonylContact O-C 3.48Å; S64-C75 WeakPolarHBondContact O-CA 3.48Å; S65-C75 VanDerWaalsContact CB-SG 3.59Å
76	T	53.3	Low	50.2	Low	85 Å²	85	101.7 Å²	101.7	52%	0.521	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.2	113.6	170.4	-43.5	0	0	0	0	108	Y63 S64	Y63-T76 PolarHBondContact N-O 3.44Å; S64-T76 PolarHBondContact N-O 3.11Å; S64-T76 PolarHBondContact O-N 2.95Å; S64-T76 PolarHBondContact OG-OG1 3.33Å
77	V	49.9	Very low	49.8	Very low	69 Å²	69	107.6 Å²	107.6	42%	0.418	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.9	140.8	-180	-68.2	0	0	0	0	110.1	W60 V62	W60-V77 HydrophobicContact CE3-CG2 4.37Å; W60-V77 HydrophobicContact CZ3-CG2 4.36Å; V62-V77 HydrophobicContact CB-CG1 4.28Å; V62-V77 HydrophobicContact CG1-CG1 4.33Å; V62-V77 HydrophobicContact CG2-CG1 3.83Å
78	V	46.4	Very low	49.7	Very low	88 Å²	88	104.6 Å²	104.6	53%	0.533	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	107.5	164.9	179.7	0	0	0	0	106.4	Q61 Y63	Q61-V78 PolarHBondContact O-N 2.91Å; Y63-V78 HydrophobicContact CD2-CG2 4.17Å
79	A	47.2	Very low	49.5	Very low	49 Å²	49	105.7 Å²	105.7	41%	0.405	61%	0.606	S	S	.	*			trans	-70	133.9	171.3	0	0	0	0	0	108.4	W60 Q81	W60-A79 HydrophobicContact CE3-CB 4.04Å; W60-A79 HydrophobicContact CH2-CB 3.76Å; W60-A79 HydrophobicContact CZ3-CB 3.4Å; A79-Q81 PolarHBondContact O-N 2.97Å
80	P	49.6	Very low	49.1	Very low	46 Å²	46	104 Å²	104	30%	0.299	58%	0.579	S	S	.	*			trans	-56	137.2	168.6	24.1	-31.1	0	0	0	108	Q82	P80-Q82 VanDerWaalsContact C-N 3.32Å; P80-Q82 PolarHBondContact O-N 2.94Å
81	Q	41	Very low	48.5	Very low	198 Å²	198	99.2 Å²	99.2	93%	0.925	56%	0.56	S	S	*	*			trans	-58.3	91.3	-171.4	-76	-158.9	-18.2	0	0	111.8	A79 S83	A79-Q81 PolarHBondContact O-N 2.97Å; Q81-S83 PolarHBondContact O-N 3.04Å
82	Q	45.7	Very low	48.7	Very low	170 Å²	170	102.4 Å²	102.4	79%	0.794	56%	0.562	S	S	*	*			trans	-81.3	106.1	160.3	-74.9	-172.1	-20.9	0	0	107.4	P80	P80-Q82 VanDerWaalsContact C-N 3.32Å; P80-Q82 PolarHBondContact O-N 2.94Å
83	S	48.6	Very low	48.9	Very low	91 Å²	91	98.1 Å²	98.1	64%	0.636	55%	0.548	S	S	*	.	S	Bend	trans	53.7	92.2	151.3	61.8	0	0	0	0	116.5	Q81	Q81-S83 PolarHBondContact O-N 3.04Å
84	M	38.6	Very low	49.1	Very low	169 Å²	169	94 Å²	94	83%	0.833	52%	0.519	S	S	*	.			trans	-161.9	126.3	135.5	-88.8	-48.5	111.7	0	0	110.1
85	C	42.8	Very low	49.7	Very low	123 Å²	123	97.4 Å²	97.4	83%	0.831	52%	0.524	S	S	*	.	S	Bend	trans	73.1	64.5	157.1	-55.1	0	0	0	0	119.7
86	S	39	Very low	50.1	Low	107 Å²	107	99.6 Å²	99.6	75%	0.748	53%	0.527	S	S	*	.	S	Bend		-173.6	130.3	121.4	64.6	0	0	0	0	111.3
87	R	46	Very low	50.3	Low	187 Å²	187	95.7 Å²	95.7	71%	0.706	50%	0.503	S	S	*	.			trans	50.7	69.7	158.4	-57.2	172.6	80.6	174.2	6	114.6	A89	R87-A89 PolarHBondContact O-N 2.9Å
88	D	53	Low	50.8	Low	71 Å²	71	94.7 Å²	94.7	38%	0.38	50%	0.495	S	S	.	.			trans	-43	130.2	172.9	-160.4	-11.2	0	0	0	111.6	R90 T91 K92	D88-R90 HydrophobicContact CB-CB 4.38Å; D88-R90 PolarHBondContact O-N 3.31Å; D88-R90 VanDerWaalsContact O-N 3.15Å; D88-R90 VanDerWaalsContact OD1-CG 3.27Å; D88-R90 WeakPolarHBondContact OD1-CG 3.33Å; D88-R90 PolarHBondContact OD1-N 3.31Å; D88-R90 IonicContact OD1-NE 3.23Å; D88-R90 VanDerWaalsContact OD2-CD 3.26Å; D88-R90 WeakPolarHBondContact OD2-CD 3.47Å; D88-R90 IonicContact OD2-NE 2.74Å; D88-T91 PolarHBondContact O-N 3.41Å; D88-K92 PolarHBondContact O-N 3.12Å
89	A	51.1	Low	51.5	Low	68 Å²	68	96.2 Å²	96.2	56%	0.562	50%	0.496	S	S	*	.	H	α-helix	trans	-54.5	-31	172.8	0	0	0	0	0	110.5	R87 K92 Q93	R87-A89 PolarHBondContact O-N 2.9Å; A89-K92 PolarHBondContact O-N 3.41Å; A89-Q93 PolarHBondContact O-N 3.28Å
90	R	52.6	Low	52.1	Low	94 Å²	94	96.7 Å²	96.7	36%	0.355	49%	0.489	S	S	.	.	H	α-helix	trans	-58.2	-48.6	172.3	-56.4	175.8	-159.8	-170.1	-6.7	112.4	D88 L94 Y204	D88-R90 HydrophobicContact CB-CB 4.38Å; D88-R90 PolarHBondContact O-N 3.31Å; D88-R90 VanDerWaalsContact O-N 3.15Å; D88-R90 VanDerWaalsContact OD1-CG 3.27Å; D88-R90 WeakPolarHBondContact OD1-CG 3.33Å; D88-R90 PolarHBondContact OD1-N 3.31Å; D88-R90 IonicContact OD1-NE 3.23Å; D88-R90 VanDerWaalsContact OD2-CD 3.26Å; D88-R90 WeakPolarHBondContact OD2-CD 3.47Å; D88-R90 IonicContact OD2-NE 2.74Å; R90-L94 WeakPolarHBondContact O-CB 3.41Å; R90-L94 PolarHBondContact O-N 3.11Å; R90-Y204 HydrophobicContact CG-CD2 4.13Å; R90-Y204 HydrophobicContact CG-CE2 4Å; R90-Y204 VanDerWaalsContact CZ-CD2 3.5Å
91	T	53.9	Low	52.6	Low	39 Å²	39	94.8 Å²	94.8	24%	0.239	48%	0.477	C	S	.	.	H	α-helix	trans	-70.2	-32.7	179	-44.8	0	0	0	0	111.8	D88 R95	D88-T91 PolarHBondContact O-N 3.41Å; T91-R95 HydrophobicContact CG2-CG 4.35Å; T91-R95 WeakPolarHBondContact O-CB 3.35Å; T91-R95 WeakPolarHBondContact O-CG 3.47Å; T91-R95 PolarHBondContact O-N 3.39Å
92	K	56.8	Low	53.5	Low	109 Å²	109	90.8 Å²	90.8	47%	0.474	46%	0.458	S	S	.	.	H	α-helix	trans	-67.6	-46.5	175.4	-75.6	-177.2	-177.8	172.7	0	111.7	D88 A89 R95 Q96	D88-K92 PolarHBondContact O-N 3.12Å; A89-K92 PolarHBondContact O-N 3.41Å; K92-R95 PolarHBondContact O-N 2.9Å; K92-Q96 WeakPolarHBondContact O-CB 3.29Å; K92-Q96 WeakPolarHBondContact O-CG 3.38Å; K92-Q96 PolarHBondContact O-N 2.91Å
93	Q	56.7	Low	54	Low	54 Å²	54	86.2 Å²	86.2	25%	0.252	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-44.1	179.1	-164.4	173.6	-2.6	0	0	111	A89 R95 Q96 L97 V211 E215	A89-Q93 PolarHBondContact O-N 3.28Å; Q93-R95 PolarHBondContact O-N 3.17Å; Q93-Q96 PolarHBondContact O-N 2.83Å; Q93-L97 PolarHBondContact O-N 3.14Å; Q93-V211 HydrophobicContact CG-CG1 4.18Å; Q93-E215 PolarHBondContact NE2-OE1 3.41Å
94	L	57.5	Low	54.3	Low	10 Å²	10	82 Å²	82	5%	0.052	41%	0.41	C	S	.	.	H	α-helix	trans	-63.7	-39.7	175.2	-163	73.3	0	0	0	112.3	R90 L97 L98 L192 Q196 M199 V211	R90-L94 WeakPolarHBondContact O-CB 3.41Å; R90-L94 PolarHBondContact O-N 3.11Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 3.46Å; L94-L98 HydrophobicContact CG-CD1 4.5Å; L94-L98 WeakPolarHBondContact O-CB 3.44Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 2.92Å; L94-L192 HydrophobicContact CD1-CD2 3.67Å; L94-L192 HydrophobicContact CG-CD2 4.47Å; L94-Q196 HydrophobicContact CD2-CB 4.32Å; L94-Q196 HydrophobicContact CD2-CG 4.49Å; L94-M199 HydrophobicContact CD2-CG 4.42Å; L94-M199 HydrophobicContact CD2-SD 3.69Å; L94-V211 HydrophobicContact CD1-CG2 4.34Å
95	R	61.5	Low	55.2	Low	150 Å²	150	75.9 Å²	75.9	57%	0.566	38%	0.381	S	S	*	.	H	α-helix	trans	-64.6	-41.4	173.3	-81.6	178.4	-178.8	170.9	2.3	112.5	T91 K92 Q93 L97 L98 E99	T91-R95 HydrophobicContact CG2-CG 4.35Å; T91-R95 WeakPolarHBondContact O-CB 3.35Å; T91-R95 WeakPolarHBondContact O-CG 3.47Å; T91-R95 PolarHBondContact O-N 3.39Å; K92-R95 PolarHBondContact O-N 2.9Å; Q93-R95 PolarHBondContact O-N 3.17Å; R95-L97 VanDerWaalsContact C-N 3.3Å; R95-L97 PolarHBondContact O-N 2.91Å; R95-L98 PolarHBondContact O-N 3.45Å; R95-E99 WeakPolarHBondContact O-CB 3.31Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 2.89Å
96	Q	61.7	Low	55.8	Low	114 Å²	114	74.7 Å²	74.7	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-38.7	175.2	-78.2	176.4	-22.6	0	0	111.5	K92 Q93 E99 K100	K92-Q96 WeakPolarHBondContact O-CB 3.29Å; K92-Q96 WeakPolarHBondContact O-CG 3.38Å; K92-Q96 PolarHBondContact O-N 2.91Å; Q93-Q96 PolarHBondContact O-N 2.83Å; Q96-E99 PolarHBondContact O-N 3.23Å; Q96-K100 WeakPolarHBondContact O-CB 3.46Å; Q96-K100 VanDerWaalsContact O-CG 3.3Å; Q96-K100 WeakPolarHBondContact O-CG 3.39Å; Q96-K100 PolarHBondContact O-N 2.75Å
97	L	56	Low	56.4	Low	3 Å²	3	72 Å²	72	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-47	171.6	-95.8	145.2	0	0	0	112.3	Q93 L94 R95 E99 K100 V101 L192 V211 E215 L218	Q93-L97 PolarHBondContact O-N 3.14Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 3.46Å; R95-L97 VanDerWaalsContact C-N 3.3Å; R95-L97 PolarHBondContact O-N 2.91Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3.09Å; L97-K100 PolarHBondContact O-N 3.14Å; L97-V101 WeakPolarHBondContact O-CB 3.33Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 2.9Å; L97-L192 HydrophobicContact CB-CD2 4.36Å; L97-V211 HydrophobicContact CD1-CG1 3.5Å; L97-E215 HydrophobicContact CD1-CG 3.77Å; L97-E215 HydrophobicContact CD2-CG 3.68Å; L97-E215 HydrophobicContact CG-CG 3.91Å; L97-L218 HydrophobicContact CD2-CD2 4.33Å
98	L	60.6	Low	56.7	Low	49 Å²	49	63.5 Å²	63.5	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-59.5	-42.7	175.7	-75.1	164.9	0	0	0	111.3	L94 R95 V101 Q102 L192	L94-L98 HydrophobicContact CG-CD1 4.5Å; L94-L98 WeakPolarHBondContact O-CB 3.44Å; L94-L98 VanDerWaalsContact O-CG 3.32Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 2.92Å; R95-L98 PolarHBondContact O-N 3.45Å; L98-V101 PolarHBondContact O-N 2.7Å; L98-Q102 WeakPolarHBondContact O-CB 3.24Å; L98-Q102 PolarHBondContact O-N 3.37Å; L98-L192 HydrophobicContact CD2-CB 4.19Å; L98-L192 HydrophobicContact CD2-CD2 4.43Å
99	E	62.4	Low	56.8	Low	119 Å²	119	65 Å²	65	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-63.3	-45	174.6	-76.9	175.8	-176.9	0	0	111.8	R95 Q96 L97 Q102 N103	R95-E99 WeakPolarHBondContact O-CB 3.31Å; R95-E99 WeakPolarHBondContact O-CG 3.39Å; R95-E99 PolarHBondContact O-N 2.89Å; Q96-E99 PolarHBondContact O-N 3.23Å; L97-E99 VanDerWaalsContact C-N 3.32Å; L97-E99 PolarHBondContact O-N 3.09Å; E99-Q102 PolarHBondContact O-N 2.92Å; E99-N103 WeakPolarHBondContact O-CB 3.5Å; E99-N103 PolarHBondContact O-N 3.41Å; E99-N103 PolarHBondContact O-ND2 3.42Å
100	K	59	Low	56.8	Low	59 Å²	59	65.3 Å²	65.3	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-61.1	-45.7	175.6	-76.9	175.2	-179.3	176.6	0	111.5	Q96 L97 N103 M104 L218	Q96-K100 WeakPolarHBondContact O-CB 3.46Å; Q96-K100 VanDerWaalsContact O-CG 3.3Å; Q96-K100 WeakPolarHBondContact O-CG 3.39Å; Q96-K100 PolarHBondContact O-N 2.75Å; L97-K100 PolarHBondContact O-N 3.14Å; K100-N103 PolarHBondContact O-N 2.94Å; K100-M104 WeakPolarHBondContact O-CB 3.14Å; K100-M104 PolarHBondContact O-N 3.44Å; K100-L218 HydrophobicContact CB-CD2 4.07Å
101	V	59.9	Low	56.6	Low	7 Å²	7	63.1 Å²	63.1	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-44	177.4	171.5	0	0	0	0	110.3	L97 L98 N103 M104 T105 V185 L192 L218	L97-V101 WeakPolarHBondContact O-CB 3.33Å; L97-V101 WeakPolarHBondContact O-CG2 3.35Å; L97-V101 PolarHBondContact O-N 2.9Å; L98-V101 PolarHBondContact O-N 2.7Å; V101-N103 PolarHBondContact O-N 2.74Å; V101-M104 CarbonylContact O-C 3.58Å; V101-M104 WeakPolarHBondContact O-CB 3.46Å; V101-M104 PolarHBondContact O-N 3.41Å; V101-M104 VanDerWaalsContact O-N 3.17Å; V101-T105 PolarHBondContact O-N 2.74Å; V101-T105 PolarHBondContact O-OG1 2.75Å; V101-V185 HydrophobicContact CG1-CG1 4.47Å; V101-L192 HydrophobicContact CB-CD1 4.35Å; V101-L192 HydrophobicContact CG2-CD1 3.7Å; V101-L218 HydrophobicContact CG2-CD1 4.31Å; V101-L218 HydrophobicContact CG2-CD2 4.03Å
102	Q	60.6	Low	56.5	Low	113 Å²	113	62.1 Å²	62.1	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-41.8	178.5	-171.9	169.8	-0.9	0	0	112.3	L98 E99 M104 T105 Q106	L98-Q102 WeakPolarHBondContact O-CB 3.24Å; L98-Q102 PolarHBondContact O-N 3.37Å; E99-Q102 PolarHBondContact O-N 2.92Å; Q102-M104 VanDerWaalsContact C-N 3.31Å; Q102-M104 PolarHBondContact O-N 2.88Å; Q102-T105 PolarHBondContact O-N 3.04Å; Q102-Q106 WeakPolarHBondContact O-CG 3.34Å; Q102-Q106 PolarHBondContact O-N 3.41Å
103	N	56	Low	56.4	Low	74 Å²	74	62.7 Å²	62.7	40%	0.396	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-39.4	173.2	-73.7	-14.6	0	0	0	111.7	E99 K100 V101 S107	E99-N103 WeakPolarHBondContact O-CB 3.5Å; E99-N103 PolarHBondContact O-N 3.41Å; E99-N103 PolarHBondContact O-ND2 3.42Å; K100-N103 PolarHBondContact O-N 2.94Å; V101-N103 PolarHBondContact O-N 2.74Å; N103-S107 WeakPolarHBondContact O-CB 3.22Å; N103-S107 PolarHBondContact O-N 3.5Å; N103-S107 PolarHBondContact O-OG 2.96Å
104	M	54.8	Low	56.2	Low	4 Å²	4	65.3 Å²	65.3	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-68.2	-43.5	174.4	-176.6	-178.2	57.8	0	0	111.6	K100 V101 Q102 Q106 S107 I108 V185 L218 M222 L225	K100-M104 WeakPolarHBondContact O-CB 3.14Å; K100-M104 PolarHBondContact O-N 3.44Å; V101-M104 CarbonylContact O-C 3.58Å; V101-M104 WeakPolarHBondContact O-CB 3.46Å; V101-M104 PolarHBondContact O-N 3.41Å; V101-M104 VanDerWaalsContact O-N 3.17Å; Q102-M104 VanDerWaalsContact C-N 3.31Å; Q102-M104 PolarHBondContact O-N 2.88Å; M104-Q106 VanDerWaalsContact C-N 3.3Å; M104-Q106 PolarHBondContact O-N 2.82Å; M104-S107 WeakPolarHBondContact O-CB 3.2Å; M104-S107 PolarHBondContact O-N 3.07Å; M104-S107 VanDerWaalsContact O-N 3.12Å; M104-I108 HydrophobicContact CG-CD1 3.77Å; M104-I108 HydrophobicContact CG-CG1 4.31Å; M104-I108 WeakPolarHBondContact O-CB 3.29Å; M104-I108 WeakPolarHBondContact O-CG1 3.4Å; M104-I108 PolarHBondContact O-N 2.85Å; M104-I108 HydrophobicContact SD-CD1 4.36Å; M104-V185 HydrophobicContact CE-CB 4.24Å; M104-V185 HydrophobicContact CE-CG1 4Å; M104-V185 HydrophobicContact CE-CG2 3.27Å; M104-V185 HydrophobicContact SD-CG2 4.02Å; M104-L218 HydrophobicContact CE-CD1 3.12Å; M104-L218 HydrophobicContact SD-CD1 3.46Å; M104-L218 WeakPolarHBondContact SD-CD1 3.28Å; M104-M222 HydrophobicContact CB-SD 4.32Å; M104-M222 HydrophobicContact CG-SD 3.62Å; M104-M222 HydrophobicContact SD-CG 4.04Å; M104-M222 HydrophobicContact SD-SD 3.37Å; M104-L225 HydrophobicContact SD-CD1 4.33Å
105	T	57.2	Low	55.8	Low	39 Å²	39	65.3 Å²	65.3	24%	0.239	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-42.8	175.8	-53.7	0	0	0	0	111	V101 Q102 I108 Q109 V185	V101-T105 PolarHBondContact O-N 2.74Å; V101-T105 PolarHBondContact O-OG1 2.75Å; Q102-T105 PolarHBondContact O-N 3.04Å; T105-I108 PolarHBondContact O-N 3.42Å; T105-Q109 WeakPolarHBondContact O-CB 3.5Å; T105-Q109 VanDerWaalsContact O-CG 3.25Å; T105-Q109 WeakPolarHBondContact O-CG 3.46Å; T105-Q109 PolarHBondContact O-N 2.76Å; T105-V185 WeakPolarHBondContact OG1-CG1 3.32Å
106	Q	56.1	Low	55.3	Low	99 Å²	99	63.6 Å²	63.6	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-43.6	174.4	-72.9	177.7	2.6	0	0	111.7	Q102 M104 I108 Q109 V110	Q102-Q106 WeakPolarHBondContact O-CG 3.34Å; Q102-Q106 PolarHBondContact O-N 3.41Å; M104-Q106 VanDerWaalsContact C-N 3.3Å; M104-Q106 PolarHBondContact O-N 2.82Å; Q106-I108 PolarHBondContact O-N 3.16Å; Q106-Q109 PolarHBondContact O-N 3.46Å; Q106-V110 WeakPolarHBondContact O-CB 3.47Å; Q106-V110 WeakPolarHBondContact O-CG2 3.41Å; Q106-V110 PolarHBondContact O-N 3.27Å
107	S	51.4	Low	55	Low	49 Å²	49	65 Å²	65	34%	0.343	31%	0.312	S	S	.	.	H	α-helix	trans	-62.8	-42	177.6	-60.2	0	0	0	0	111.7	N103 M104 V110 L111	N103-S107 WeakPolarHBondContact O-CB 3.22Å; N103-S107 PolarHBondContact O-N 3.5Å; N103-S107 PolarHBondContact O-OG 2.96Å; M104-S107 WeakPolarHBondContact O-CB 3.2Å; M104-S107 PolarHBondContact O-N 3.07Å; M104-S107 VanDerWaalsContact O-N 3.12Å; S107-V110 PolarHBondContact O-N 2.9Å; S107-L111 WeakPolarHBondContact O-CB 3.41Å; S107-L111 PolarHBondContact O-N 2.71Å
108	I	52.4	Low	54.7	Low	10 Å²	10	67.2 Å²	67.2	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-67.7	-39.6	175	-69.5	169.5	0	0	0	110.9	M104 T105 Q106 L111 D112 V185 L225	M104-I108 HydrophobicContact CG-CD1 3.77Å; M104-I108 HydrophobicContact CG-CG1 4.31Å; M104-I108 WeakPolarHBondContact O-CB 3.29Å; M104-I108 WeakPolarHBondContact O-CG1 3.4Å; M104-I108 PolarHBondContact O-N 2.85Å; M104-I108 HydrophobicContact SD-CD1 4.36Å; T105-I108 PolarHBondContact O-N 3.42Å; Q106-I108 PolarHBondContact O-N 3.16Å; I108-L111 CarbonylContact O-C 3.48Å; I108-L111 PolarHBondContact O-N 3.36Å; I108-D112 WeakPolarHBondContact O-CB 3.37Å; I108-D112 PolarHBondContact O-N 3.04Å; I108-V185 HydrophobicContact CD1-CB 4.32Å; I108-V185 HydrophobicContact CD1-CG2 3.51Å; I108-L225 HydrophobicContact CD1-CD1 4.38Å
109	Q	53.8	Low	54.1	Low	103 Å²	103	67 Å²	67	48%	0.481	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-40.3	175.6	-80.3	175.7	-14	0	0	111.9	T105 Q106 L111 D112 Q113	T105-Q109 WeakPolarHBondContact O-CB 3.5Å; T105-Q109 VanDerWaalsContact O-CG 3.25Å; T105-Q109 WeakPolarHBondContact O-CG 3.46Å; T105-Q109 PolarHBondContact O-N 2.76Å; Q106-Q109 PolarHBondContact O-N 3.46Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; Q109-D112 PolarHBondContact O-N 3.17Å; Q109-Q113 WeakPolarHBondContact O-CB 3.26Å; Q109-Q113 VanDerWaalsContact O-CG 3.29Å; Q109-Q113 WeakPolarHBondContact O-CG 3.48Å; Q109-Q113 PolarHBondContact O-N 2.82Å
110	V	52.8	Low	53.8	Low	74 Å²	74	67.8 Å²	67.8	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-40.7	174.8	172.1	0	0	0	0	110.4	Q106 S107 R114	Q106-V110 WeakPolarHBondContact O-CB 3.47Å; Q106-V110 WeakPolarHBondContact O-CG2 3.41Å; Q106-V110 PolarHBondContact O-N 3.27Å; S107-V110 PolarHBondContact O-N 2.9Å; V110-R114 WeakPolarHBondContact O-CB 3.34Å; V110-R114 WeakPolarHBondContact O-CG 3.49Å; V110-R114 PolarHBondContact O-N 3.33Å; V110-R114 VanDerWaalsContact O-N 3.14Å
111	L	48.2	Very low	53.5	Low	47 Å²	47	72.6 Å²	72.6	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-51.4	174.5	-166.3	71.1	0	0	0	110.5	M22 S107 I108 Q109 Q113 R114 T115 V178	M22-L111 HydrophobicContact CE-CD1 3.87Å; M22-L111 HydrophobicContact SD-CD1 4.48Å; S107-L111 WeakPolarHBondContact O-CB 3.41Å; S107-L111 PolarHBondContact O-N 2.71Å; I108-L111 CarbonylContact O-C 3.48Å; I108-L111 PolarHBondContact O-N 3.36Å; Q109-L111 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 2.99Å; L111-R114 CarbonylContact O-C 3.55Å; L111-R114 WeakPolarHBondContact O-CA 3.25Å; L111-R114 WeakPolarHBondContact O-CB 3.35Å; L111-R114 PolarHBondContact O-N 3.49Å; L111-T115 WeakPolarHBondContact O-CB 2.98Å; L111-T115 PolarHBondContact O-N 2.98Å; L111-T115 PolarHBondContact O-OG1 3.28Å; L111-V178 HydrophobicContact CD2-CG2 3.93Å
112	D	51.8	Low	53	Low	19 Å²	19	73.3 Å²	73.3	10%	0.102	35%	0.349	C	S	.	.	H	α-helix	trans	-57.6	-44.7	178.7	-173.2	36.4	0	0	0	112.1	I108 Q109 R114 T115 Q116 V178 K182	I108-D112 WeakPolarHBondContact O-CB 3.37Å; I108-D112 PolarHBondContact O-N 3.04Å; Q109-D112 PolarHBondContact O-N 3.17Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 2.82Å; D112-T115 PolarHBondContact O-N 3.12Å; D112-Q116 WeakPolarHBondContact O-CB 3.45Å; D112-Q116 WeakPolarHBondContact O-CG 3.12Å; D112-Q116 PolarHBondContact O-N 3.11Å; D112-V178 HydrophobicContact CB-CG1 4.41Å; D112-K182 IonicContact OD2-NZ 3.79Å; D112-K182 PolarHBondContact OD2-NZ 3.49Å
113	Q	54	Low	52.7	Low	121 Å²	121	73 Å²	73	57%	0.565	35%	0.347	S	S	*	.	H	α-helix	trans	-65.7	-33.5	175.5	-76.3	-177.8	-1.4	0	0	112.8	Q109 L111 R117	Q109-Q113 WeakPolarHBondContact O-CB 3.26Å; Q109-Q113 VanDerWaalsContact O-CG 3.29Å; Q109-Q113 WeakPolarHBondContact O-CG 3.48Å; Q109-Q113 PolarHBondContact O-N 2.82Å; L111-Q113 PolarHBondContact O-N 2.99Å; Q113-R117 WeakPolarHBondContact O-CB 3.46Å; Q113-R117 PolarHBondContact O-N 2.88Å
114	R	52.1	Low	52.9	Low	108 Å²	108	76.4 Å²	76.4	41%	0.408	36%	0.359	S	S	.	.	H	α-helix	trans	-75	-43.9	174.6	-80.9	177.3	172.7	175.8	-1.7	110.9	V110 L111 D112 R117 D118	V110-R114 WeakPolarHBondContact O-CB 3.34Å; V110-R114 WeakPolarHBondContact O-CG 3.49Å; V110-R114 PolarHBondContact O-N 3.33Å; V110-R114 VanDerWaalsContact O-N 3.14Å; L111-R114 CarbonylContact O-C 3.55Å; L111-R114 WeakPolarHBondContact O-CA 3.25Å; L111-R114 WeakPolarHBondContact O-CB 3.35Å; L111-R114 PolarHBondContact O-N 3.49Å; D112-R114 VanDerWaalsContact C-N 3.31Å; D112-R114 PolarHBondContact O-N 2.82Å; R114-R117 WeakPolarHBondContact O-CB 3.17Å; R114-R117 PolarHBondContact O-N 2.91Å; R114-R117 VanDerWaalsContact O-N 3.16Å; R114-D118 WeakPolarHBondContact O-CB 3.39Å; R114-D118 PolarHBondContact O-N 2.72Å
115	T	48.7	Very low	53	Low	11 Å²	11	79.3 Å²	79.3	7%	0.067	37%	0.373	C	S	.	.	H	α-helix	trans	-59.9	-46.9	175.5	-56.6	0	0	0	0	110.6	L111 D112 R117 D118 L119 Y171 A175	L111-T115 WeakPolarHBondContact O-CB 2.98Å; L111-T115 PolarHBondContact O-N 2.98Å; L111-T115 PolarHBondContact O-OG1 3.28Å; D112-T115 PolarHBondContact O-N 3.12Å; T115-R117 VanDerWaalsContact C-N 3.33Å; T115-R117 PolarHBondContact O-N 3.28Å; T115-D118 PolarHBondContact O-N 3.49Å; T115-L119 WeakPolarHBondContact O-CB 3.33Å; T115-L119 PolarHBondContact O-N 3.27Å; T115-Y171 WeakPolarHBondContact CA-OH 3.49Å; T115-Y171 HydrophobicContact CG2-CE1 3.75Å; T115-A175 HydrophobicContact CG2-CB 3.94Å
116	Q	52.3	Low	52.9	Low	113 Å²	113	80.2 Å²	80.2	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-60.3	-40.6	174.2	-84.8	-175.2	-21.7	0	0	112.9	D112 L119 Q120	D112-Q116 WeakPolarHBondContact O-CB 3.45Å; D112-Q116 WeakPolarHBondContact O-CG 3.12Å; D112-Q116 PolarHBondContact O-N 3.11Å; Q116-L119 PolarHBondContact O-N 3.02Å; Q116-Q120 WeakPolarHBondContact O-CG 3.37Å; Q116-Q120 PolarHBondContact O-N 3.48Å
117	R	55.6	Low	53.4	Low	144 Å²	144	80.4 Å²	80.4	54%	0.543	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-47.8	178.5	-172.9	-174.4	-55.9	179.6	2.5	110.7	Q113 R114 T115 Q120 Y121	Q113-R117 WeakPolarHBondContact O-CB 3.46Å; Q113-R117 PolarHBondContact O-N 2.88Å; R114-R117 WeakPolarHBondContact O-CB 3.17Å; R114-R117 PolarHBondContact O-N 2.91Å; R114-R117 VanDerWaalsContact O-N 3.16Å; T115-R117 VanDerWaalsContact C-N 3.33Å; T115-R117 PolarHBondContact O-N 3.28Å; R117-Q120 PolarHBondContact O-N 3.46Å; R117-Y121 HydrophobicContact CG-CE2 4.24Å; R117-Y121 WeakPolarHBondContact O-CD2 3.44Å; R117-Y121 PolarHBondContact O-N 2.78Å
118	D	49.2	Very low	53.8	Low	50 Å²	50	84 Å²	84	27%	0.267	39%	0.393	S	S	.	.	H	α-helix	trans	-67.5	-37.1	178	-70.4	-9.8	0	0	0	111.1	R114 T115 Q120 Y121 V122 Y171	R114-D118 WeakPolarHBondContact O-CB 3.39Å; R114-D118 PolarHBondContact O-N 2.72Å; T115-D118 PolarHBondContact O-N 3.49Å; D118-Q120 VanDerWaalsContact C-N 3.32Å; D118-Q120 PolarHBondContact O-N 2.89Å; D118-Y121 WeakPolarHBondContact O-CA 3.21Å; D118-Y121 WeakPolarHBondContact O-CB 3.35Å; D118-Y121 PolarHBondContact O-N 3.16Å; D118-V122 WeakPolarHBondContact O-CB 3.14Å; D118-V122 VanDerWaalsContact O-CG2 3.26Å; D118-V122 WeakPolarHBondContact O-CG2 3.34Å; D118-V122 PolarHBondContact O-N 3.13Å; D118-Y171 HydrophobicContact CB-CE1 3.98Å; D118-Y171 HydrophobicContact CB-CE2 4.08Å; D118-Y171 VanDerWaalsContact CB-CZ 3.42Å; D118-Y171 WeakPolarHBondContact CB-OH 3.45Å; D118-Y171 PolarHBondContact OD2-OH 3.44Å; D118-Y171 VanDerWaalsContact OD2-OH 3.09Å
119	L	48.6	Very low	54.1	Low	45 Å²	45	84.3 Å²	84.3	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-63.5	-36.3	176.1	-155.1	128.6	0	0	0	111.6	T115 Q116 V122 E123 Y171 A175	T115-L119 WeakPolarHBondContact O-CB 3.33Å; T115-L119 PolarHBondContact O-N 3.27Å; Q116-L119 PolarHBondContact O-N 3.02Å; L119-V122 WeakPolarHBondContact O-CB 3.35Å; L119-V122 PolarHBondContact O-N 3.48Å; L119-E123 HydrophobicContact CD2-CG 4.24Å; L119-E123 WeakPolarHBondContact O-CB 3.28Å; L119-E123 WeakPolarHBondContact O-CG 3.49Å; L119-E123 PolarHBondContact O-N 3.3Å; L119-Y171 HydrophobicContact CB-CD1 4.49Å; L119-Y171 HydrophobicContact CB-CE1 4.19Å; L119-Y171 HydrophobicContact CD1-CD1 4.07Å; L119-Y171 HydrophobicContact CD1-CE1 4.28Å; L119-A175 HydrophobicContact CD1-CB 3.54Å
120	Q	55	Low	54.6	Low	134 Å²	134	86.3 Å²	86.3	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-66.1	-35.6	171.4	-75.9	179.6	-5.6	0	0	112.8	Q116 R117 D118 K124	Q116-Q120 WeakPolarHBondContact O-CG 3.37Å; Q116-Q120 PolarHBondContact O-N 3.48Å; R117-Q120 PolarHBondContact O-N 3.46Å; D118-Q120 VanDerWaalsContact C-N 3.32Å; D118-Q120 PolarHBondContact O-N 2.89Å; Q120-K124 VanDerWaalsContact O-CB 3.24Å; Q120-K124 WeakPolarHBondContact O-CB 3.11Å; Q120-K124 PolarHBondContact O-N 3.42Å; Q120-K124 VanDerWaalsContact O-N 3.17Å
121	Y	53.2	Low	55.4	Low	161 Å²	161	84.1 Å²	84.1	63%	0.631	39%	0.391	S	S	*	.	H	α-helix	trans	-68.1	-39.1	173.1	-82.1	-77.1	0	0	0	111.5	R117 D118 M125	R117-Y121 HydrophobicContact CG-CE2 4.24Å; R117-Y121 WeakPolarHBondContact O-CD2 3.44Å; R117-Y121 PolarHBondContact O-N 2.78Å; D118-Y121 WeakPolarHBondContact O-CA 3.21Å; D118-Y121 WeakPolarHBondContact O-CB 3.35Å; D118-Y121 PolarHBondContact O-N 3.16Å; Y121-M125 WeakPolarHBondContact O-CB 3.41Å; Y121-M125 PolarHBondContact O-N 2.82Å
122	V	49.5	Very low	56.1	Low	22 Å²	22	85 Å²	85	13%	0.133	40%	0.395	C	S	.	.	H	α-helix	trans	-65.5	-52.5	177.1	158.2	0	0	0	0	111.4	D118 L119 K124 M125 E126 L168 Y171	D118-V122 WeakPolarHBondContact O-CB 3.14Å; D118-V122 VanDerWaalsContact O-CG2 3.26Å; D118-V122 WeakPolarHBondContact O-CG2 3.34Å; D118-V122 PolarHBondContact O-N 3.13Å; L119-V122 WeakPolarHBondContact O-CB 3.35Å; L119-V122 PolarHBondContact O-N 3.48Å; V122-K124 VanDerWaalsContact C-N 3.29Å; V122-K124 PolarHBondContact O-N 3.16Å; V122-M125 CarbonylContact O-C 3.55Å; V122-M125 WeakPolarHBondContact O-CA 3.24Å; V122-M125 WeakPolarHBondContact O-CB 3.48Å; V122-M125 PolarHBondContact O-N 2.75Å; V122-E126 PolarHBondContact O-N 2.93Å; V122-L168 HydrophobicContact CB-CD2 3.61Å; V122-L168 HydrophobicContact CG1-CB 3.87Å; V122-L168 HydrophobicContact CG1-CD2 3.19Å; V122-L168 HydrophobicContact CG1-CG 4.02Å; V122-L168 HydrophobicContact CG2-CD2 3.53Å; V122-Y171 HydrophobicContact CG2-CG 4.42Å
123	E	53.3	Low	56.6	Low	107 Å²	107	89.3 Å²	89.3	50%	0.5	42%	0.415	S	S	.	.	H	α-helix	trans	-57.7	-42.6	176.6	-79.3	-176.5	157.2	0	0	111.4	L119 M125 E126 V127	L119-E123 HydrophobicContact CD2-CG 4.24Å; L119-E123 WeakPolarHBondContact O-CB 3.28Å; L119-E123 WeakPolarHBondContact O-CG 3.49Å; L119-E123 PolarHBondContact O-N 3.3Å; E123-M125 VanDerWaalsContact C-N 3.27Å; E123-M125 PolarHBondContact O-N 3.42Å; E123-E126 PolarHBondContact O-N 2.98Å; E123-V127 VanDerWaalsContact O-CG2 3.28Å; E123-V127 WeakPolarHBondContact O-CG2 3.25Å; E123-V127 PolarHBondContact O-N 3.39Å
124	K	61.2	Low	57.3	Low	145 Å²	145	87.8 Å²	87.8	63%	0.63	41%	0.414	S	S	*	.	H	α-helix	trans	-64.3	-34.8	177.2	-167.8	174	-174.3	174.1	0	112	Q120 V122 Q128	Q120-K124 VanDerWaalsContact O-CB 3.24Å; Q120-K124 WeakPolarHBondContact O-CB 3.11Å; Q120-K124 PolarHBondContact O-N 3.42Å; Q120-K124 VanDerWaalsContact O-N 3.17Å; V122-K124 VanDerWaalsContact C-N 3.29Å; V122-K124 PolarHBondContact O-N 3.16Å; K124-Q128 VanDerWaalsContact O-CG 3.28Å; K124-Q128 WeakPolarHBondContact O-CG 3.36Å; K124-Q128 PolarHBondContact O-N 2.91Å
125	M	55.9	Low	57.9	Low	64 Å²	64	89.3 Å²	89.3	32%	0.315	42%	0.424	S	S	.	.	H	α-helix	trans	-75.8	-37.3	177.4	-156.3	-179	-31	0	0	111.9	Y121 V122 E123 Q128 L129 L164	Y121-M125 WeakPolarHBondContact O-CB 3.41Å; Y121-M125 PolarHBondContact O-N 2.82Å; V122-M125 CarbonylContact O-C 3.55Å; V122-M125 WeakPolarHBondContact O-CA 3.24Å; V122-M125 WeakPolarHBondContact O-CB 3.48Å; V122-M125 PolarHBondContact O-N 2.75Å; E123-M125 VanDerWaalsContact C-N 3.27Å; E123-M125 PolarHBondContact O-N 3.42Å; M125-Q128 WeakPolarHBondContact O-CB 3.47Å; M125-Q128 PolarHBondContact O-N 3.28Å; M125-L129 WeakPolarHBondContact O-CB 3.42Å; M125-L129 PolarHBondContact O-N 2.67Å; M125-L164 HydrophobicContact SD-CD2 4.2Å
126	E	55.2	Low	58.6	Low	58 Å²	58	90.6 Å²	90.6	27%	0.271	43%	0.428	S	S	.	.	H	α-helix	trans	-62.9	-45.8	173.8	-166.5	-164.9	157.5	0	0	111.2	V122 E123 Q128 L129 R130 L168	V122-E126 PolarHBondContact O-N 2.93Å; E123-E126 PolarHBondContact O-N 2.98Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 2.98Å; E126-L129 WeakPolarHBondContact O-CB 3.5Å; E126-L129 PolarHBondContact O-N 3.3Å; E126-L129 VanDerWaalsContact O-N 3.13Å; E126-R130 PolarHBondContact O-N 3.01Å; E126-R130 IonicContact OE1-CZ 2.88Å; E126-R130 VanDerWaalsContact OE1-CZ 3.23Å; E126-R130 IonicContact OE1-NE 3.73Å; E126-R130 PolarHBondContact OE1-NE 2.85Å; E126-R130 IonicContact OE1-NH2 3.82Å; E126-R130 PolarHBondContact OE1-NH2 3.4Å; E126-L168 HydrophobicContact CB-CD1 4.15Å; E126-L168 HydrophobicContact CG-CD1 4.49Å
127	V	66.2	Low	59.2	Low	103 Å²	103	92.9 Å²	92.9	62%	0.624	43%	0.432	S	S	*	.	H	α-helix	trans	-60.9	-38.5	175.2	171.4	0	0	0	0	110.9	E123 G131	E123-V127 VanDerWaalsContact O-CG2 3.28Å; E123-V127 WeakPolarHBondContact O-CG2 3.25Å; E123-V127 PolarHBondContact O-N 3.39Å; V127-G131 PolarHBondContact O-N 3.29Å
128	Q	61.4	Low	59.7	Low	124 Å²	124	92 Å²	92	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-66.7	-40	174.1	-76.5	-179	-16.7	0	0	112.4	K124 M125 E126 G131 L132	K124-Q128 VanDerWaalsContact O-CG 3.28Å; K124-Q128 WeakPolarHBondContact O-CG 3.36Å; K124-Q128 PolarHBondContact O-N 2.91Å; M125-Q128 WeakPolarHBondContact O-CB 3.47Å; M125-Q128 PolarHBondContact O-N 3.28Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 2.98Å; Q128-G131 PolarHBondContact O-N 2.94Å; Q128-L132 PolarHBondContact O-N 3.1Å
129	L	58.9	Low	60.3	Low	17 Å²	17	92.3 Å²	92.3	9%	0.089	44%	0.438	C	S	.	.	H	α-helix	trans	-65.2	-49.8	176.7	-95.3	154.1	0	0	0	111.9	M125 E126 G131 L132 E133 L161 I165 L168	M125-L129 WeakPolarHBondContact O-CB 3.42Å; M125-L129 PolarHBondContact O-N 2.67Å; E126-L129 WeakPolarHBondContact O-CB 3.5Å; E126-L129 PolarHBondContact O-N 3.3Å; E126-L129 VanDerWaalsContact O-N 3.13Å; L129-G131 VanDerWaalsContact C-N 3.28Å; L129-G131 PolarHBondContact O-N 2.98Å; L129-L132 WeakPolarHBondContact O-CA 3.47Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.25Å; L129-E133 PolarHBondContact O-N 3.06Å; L129-L161 HydrophobicContact CD2-CB 4.02Å; L129-L161 HydrophobicContact CD2-CD1 4.48Å; L129-I165 HydrophobicContact CD1-CG1 4.48Å; L129-L168 HydrophobicContact CD1-CD1 4.39Å
130	R	63.9	Low	60.8	Low	145 Å²	145	95.8 Å²	95.8	55%	0.547	45%	0.453	S	S	.	.	H	α-helix	trans	-61.3	-37.2	174.5	-72	-177.4	-172.9	-94.4	2	112	E126 L132 E133 T134	E126-R130 PolarHBondContact O-N 3.01Å; E126-R130 IonicContact OE1-CZ 2.88Å; E126-R130 VanDerWaalsContact OE1-CZ 3.23Å; E126-R130 IonicContact OE1-NE 3.73Å; E126-R130 PolarHBondContact OE1-NE 2.85Å; E126-R130 IonicContact OE1-NH2 3.82Å; E126-R130 PolarHBondContact OE1-NH2 3.4Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-E133 PolarHBondContact O-N 3.09Å; R130-T134 PolarHBondContact O-N 3.04Å; R130-T134 PolarHBondContact O-OG1 2.77Å
131	G	68.3	Low	61.2	Low	29 Å²	29	95.4 Å²	95.4	30%	0.299	45%	0.451	S	S	.	.	H	α-helix	trans	-65.5	-32.1	173.2	0	0	0	0	0	113.4	V127 Q128 L129 T134 K135	V127-G131 PolarHBondContact O-N 3.29Å; Q128-G131 PolarHBondContact O-N 2.94Å; L129-G131 VanDerWaalsContact C-N 3.28Å; L129-G131 PolarHBondContact O-N 2.98Å; G131-T134 WeakPolarHBondContact CA-OG1 3.37Å; G131-T134 PolarHBondContact O-OG1 2.85Å; G131-K135 VanDerWaalsContact O-CG 3.3Å; G131-K135 WeakPolarHBondContact O-CG 3.32Å; G131-K135 PolarHBondContact O-N 3.2Å
132	L	64.4	Low	61.5	Low	65 Å²	65	93.6 Å²	93.6	34%	0.34	45%	0.452	S	S	.	.	H	α-helix	trans	-72.9	-41.2	173.3	-131.4	82.6	0	0	0	111.3	Q128 L129 R130 K135 F136 I154 M158	Q128-L132 PolarHBondContact O-N 3.1Å; L129-L132 WeakPolarHBondContact O-CA 3.47Å; L129-L132 WeakPolarHBondContact O-CB 3.37Å; L129-L132 PolarHBondContact O-N 3.25Å; R130-L132 VanDerWaalsContact C-N 3.31Å; L132-K135 PolarHBondContact O-N 2.85Å; L132-F136 WeakPolarHBondContact O-CB 3.38Å; L132-F136 PolarHBondContact O-N 2.91Å; L132-I154 HydrophobicContact CD2-CG2 4.48Å; L132-M158 HydrophobicContact CB-SD 4.42Å; L132-M158 HydrophobicContact CD2-SD 4.15Å
133	E	60.7	Low	62	Low	110 Å²	110	100 Å²	100	51%	0.514	48%	0.48	S	S	.	.	H	α-helix	trans	-66.8	-40.3	179.8	-169.5	171.1	-162.5	0	0	112.5	L129 R130 F136 R137 M158	L129-E133 PolarHBondContact O-N 3.06Å; R130-E133 PolarHBondContact O-N 3.09Å; E133-F136 WeakPolarHBondContact O-CB 3.17Å; E133-F136 PolarHBondContact O-N 3.47Å; E133-R137 PolarHBondContact O-N 2.72Å; E133-M158 HydrophobicContact CB-CE 4.21Å; E133-M158 HydrophobicContact CG-CE 4.19Å
134	T	69.6	Low	62	Low	88 Å²	88	103.8 Å²	103.8	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-66.8	-40.7	173.6	34.7	0	0	0	0	112.8	R130 G131 F136 R137 Q138	R130-T134 PolarHBondContact O-N 3.04Å; R130-T134 PolarHBondContact O-OG1 2.77Å; G131-T134 WeakPolarHBondContact CA-OG1 3.37Å; G131-T134 PolarHBondContact O-OG1 2.85Å; T134-F136 VanDerWaalsContact C-N 3.28Å; T134-F136 PolarHBondContact O-N 2.98Å; T134-R137 PolarHBondContact O-N 3.38Å; T134-Q138 PolarHBondContact O-N 3.23Å; T134-Q138 VanDerWaalsContact O-N 3.11Å
135	K	65.6	Low	61.6	Low	141 Å²	141	105.2 Å²	105.2	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-63.3	-35.6	171.8	-76.1	177	-178.1	179.6	0	111.9	G131 L132 Q138 V139	G131-K135 VanDerWaalsContact O-CG 3.3Å; G131-K135 WeakPolarHBondContact O-CG 3.32Å; G131-K135 PolarHBondContact O-N 3.2Å; L132-K135 PolarHBondContact O-N 2.85Å; K135-Q138 PolarHBondContact O-N 3.36Å; K135-V139 VanDerWaalsContact O-CG2 3.23Å; K135-V139 WeakPolarHBondContact O-CG2 3.35Å; K135-V139 PolarHBondContact O-N 2.88Å; K135-V139 VanDerWaalsContact O-N 3.09Å
136	F	62.1	Low	61.7	Low	38 Å²	38	109.4 Å²	109.4	17%	0.167	53%	0.528	C	S	.	.	H	α-helix	trans	-63.9	-46.4	174.9	-176.7	-88.9	0	0	0	111.4	L132 E133 T134 Q138 V139 E140 Y151 M158	L132-F136 WeakPolarHBondContact O-CB 3.38Å; L132-F136 PolarHBondContact O-N 2.91Å; E133-F136 WeakPolarHBondContact O-CB 3.17Å; E133-F136 PolarHBondContact O-N 3.47Å; T134-F136 VanDerWaalsContact C-N 3.28Å; T134-F136 PolarHBondContact O-N 2.98Å; F136-Q138 VanDerWaalsContact C-N 3.3Å; F136-Q138 PolarHBondContact O-N 3.37Å; F136-V139 CarbonylContact O-C 3.55Å; F136-V139 PolarHBondContact O-N 2.98Å; F136-E140 WeakPolarHBondContact O-CB 3.47Å; F136-E140 PolarHBondContact O-N 3.17Å; F136-Y151 HydrophobicContact CD2-CE2 4.05Å; F136-Y151 HydrophobicContact CE2-CD2 4Å; F136-Y151 AromaticContact CE2-CE2 3.27Å; F136-Y151 HydrophobicContact CE2-CE2 3.27Å; F136-Y151 AromaticContact CE2-CZ 3.67Å; F136-Y151 AromaticContact CZ-CE2 3.57Å; F136-Y151 HydrophobicContact CZ-CE2 3.57Å; F136-Y151 AromaticContact CZ-CZ 3.63Å; F136-Y151 WeakPolarHBondContact CZ-OH 3.37Å; F136-M158 HydrophobicContact CB-CE 4.28Å; F136-M158 HydrophobicContact CG-CE 4.25Å
137	R	65.8	Low	61.7	Low	160 Å²	160	109 Å²	109	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-59.9	-40.5	177.1	-156.7	-179.4	109.4	-172.7	0.4	112.2	E133 T134 V139 E140 E141	E133-R137 PolarHBondContact O-N 2.72Å; T134-R137 PolarHBondContact O-N 3.38Å; R137-V139 VanDerWaalsContact C-N 3.32Å; R137-V139 PolarHBondContact O-N 3.17Å; R137-E140 PolarHBondContact O-N 3Å; R137-E141 IonicContact CZ-OE1 3.47Å; R137-E141 IonicContact NE-OE1 3.49Å; R137-E141 PolarHBondContact NE-OE1 2.83Å; R137-E141 IonicContact NH2-OE1 2.77Å; R137-E141 WeakPolarHBondContact O-CB 3.34Å; R137-E141 VanDerWaalsContact O-CG 3.31Å; R137-E141 WeakPolarHBondContact O-CG 3.45Å; R137-E141 PolarHBondContact O-N 3.46Å
138	Q	65.4	Low	61.3	Low	126 Å²	126	108.1 Å²	108.1	59%	0.589	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-29.5	173.7	-88.5	-178.9	-17.7	0	0	114.2	T134 K135 F136 N142	T134-Q138 PolarHBondContact O-N 3.23Å; T134-Q138 VanDerWaalsContact O-N 3.11Å; K135-Q138 PolarHBondContact O-N 3.36Å; F136-Q138 VanDerWaalsContact C-N 3.3Å; F136-Q138 PolarHBondContact O-N 3.37Å; Q138-N142 WeakPolarHBondContact O-CB 3.34Å; Q138-N142 PolarHBondContact O-N 3.49Å; Q138-N142 PolarHBondContact O-ND2 3.44Å
139	V	62.9	Low	61	Low	57 Å²	57	111.4 Å²	111.4	35%	0.345	55%	0.545	S	S	.	.	H	α-helix	trans	-82.5	-29.7	176.8	170.5	0	0	0	0	111.6	K135 F136 R137 N142 Y151	K135-V139 VanDerWaalsContact O-CG2 3.23Å; K135-V139 WeakPolarHBondContact O-CG2 3.35Å; K135-V139 PolarHBondContact O-N 2.88Å; K135-V139 VanDerWaalsContact O-N 3.09Å; F136-V139 CarbonylContact O-C 3.55Å; F136-V139 PolarHBondContact O-N 2.98Å; R137-V139 VanDerWaalsContact C-N 3.32Å; R137-V139 PolarHBondContact O-N 3.17Å; V139-N142 VanDerWaalsContact O-O 3.09Å; V139-Y151 HydrophobicContact CG1-CD2 4.28Å
140	E	58.3	Low	61	Low	118 Å²	118	116.6 Å²	116.6	55%	0.551	57%	0.569	S	S	*	*	H	α-helix	trans	-72.4	-39.1	172.9	-172.4	167.9	-148.2	0	0	111.6	F136 R137	F136-E140 WeakPolarHBondContact O-CB 3.47Å; F136-E140 PolarHBondContact O-N 3.17Å; R137-E140 PolarHBondContact O-N 3Å
141	E	63	Low	60.9	Low	125 Å²	125	112.9 Å²	112.9	58%	0.584	56%	0.555	S	S	*	*	H	α-helix	trans	-72.8	-24.4	176.6	-72.9	171.9	-171	0	0	113.1	R137	R137-E141 IonicContact CZ-OE1 3.47Å; R137-E141 IonicContact NE-OE1 3.49Å; R137-E141 PolarHBondContact NE-OE1 2.83Å; R137-E141 IonicContact NH2-OE1 2.77Å; R137-E141 WeakPolarHBondContact O-CB 3.34Å; R137-E141 VanDerWaalsContact O-CG 3.31Å; R137-E141 WeakPolarHBondContact O-CG 3.45Å; R137-E141 PolarHBondContact O-N 3.46Å
142	N	59.2	Low	60.6	Low	123 Å²	123	119.2 Å²	119.2	66%	0.658	58%	0.575	S	S	*	*	S	Bend	trans	-111.8	104	-179.7	-72.7	-54.6	0	0	0	112.2	Q138 V139	Q138-N142 WeakPolarHBondContact O-CB 3.34Å; Q138-N142 PolarHBondContact O-N 3.49Å; Q138-N142 PolarHBondContact O-ND2 3.44Å; V139-N142 VanDerWaalsContact O-O 3.09Å
143	H	61.1	Low	60.6	Low	157 Å²	157	118.9 Å²	118.9	73%	0.727	58%	0.581	S	S	*	*			trans	-116.7	112	176.7	-124.7	34.9	0	0	0	114.4
144	K	51.9	Low	60.6	Low	186 Å²	186	117.4 Å²	117.4	81%	0.809	58%	0.576	S	S	*	*				-173.1	141.6	113.2	-102	173.7	-175.5	177.3	0	113.6
145	Q	54.3	Low	60.2	Low	176 Å²	176	118 Å²	118	82%	0.822	57%	0.571	S	S	*	*	S	Bend	trans	101.3	3.2	140.5	-88.2	179.2	-14.6	0	0	124
146	N	56.6	Low	60.2	Low	151 Å²	151	114.2 Å²	114.2	81%	0.807	57%	0.566	S	S	*	*	S	Bend	trans	-149.6	27.2	165.9	-129.6	-7.2	0	0	0	119
147	T	56.6	Low	60.2	Low	51 Å²	51	117.4 Å²	117.4	31%	0.313	58%	0.58	S	S	.	*			trans	-130.7	13.1	-163	-10.9	0	0	0	0	115	K149 Q150 Y151	T147-K149 PolarHBondContact O-N 3.27Å; T147-Q150 HydrophobicContact CG2-CB 3.8Å; T147-Y151 WeakPolarHBondContact O-CA 3.48Å; T147-Y151 WeakPolarHBondContact O-CB 3.42Å; T147-Y151 PolarHBondContact O-N 2.82Å
148	A	57	Low	59.9	Low	83 Å²	83	111.7 Å²	111.7	69%	0.686	56%	0.56	S	S	*	*	H	α-helix	trans	-66.9	-40.3	-179.7	0	0	0	0	0	113.2	K152	A148-K152 WeakPolarHBondContact O-CB 3.03Å; A148-K152 PolarHBondContact O-N 2.9Å
149	K	56.3	Low	59.7	Low	194 Å²	194	110.5 Å²	110.5	84%	0.843	56%	0.555	S	S	*	*	H	α-helix	trans	-73.4	-42	176	-86.7	-176.2	176.9	177.9	0	112.6	T147 K152 A153	T147-K149 PolarHBondContact O-N 3.27Å; K149-K152 PolarHBondContact O-N 2.86Å; K149-A153 VanDerWaalsContact O-CB 3.32Å; K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.47Å
150	Q	59	Low	59.6	Low	126 Å²	126	112.8 Å²	112.8	59%	0.589	56%	0.562	S	S	*	*	H	α-helix	trans	-66.8	-42.5	175.5	-82.6	179.5	-11	0	0	111.6	T147 A153 I154	T147-Q150 HydrophobicContact CG2-CB 3.8Å; Q150-A153 PolarHBondContact O-N 2.8Å; Q150-I154 WeakPolarHBondContact O-CB 3.47Å; Q150-I154 WeakPolarHBondContact O-CD1 3.48Å; Q150-I154 WeakPolarHBondContact O-CG1 3.43Å; Q150-I154 PolarHBondContact O-N 3.43Å
151	Y	60.7	Low	59.6	Low	67 Å²	67	109.8 Å²	109.8	26%	0.263	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-43.1	173.9	-177.9	-95.2	0	0	0	111.5	F136 V139 T147 I154 K155	F136-Y151 HydrophobicContact CD2-CE2 4.05Å; F136-Y151 HydrophobicContact CE2-CD2 4Å; F136-Y151 AromaticContact CE2-CE2 3.27Å; F136-Y151 HydrophobicContact CE2-CE2 3.27Å; F136-Y151 AromaticContact CE2-CZ 3.67Å; F136-Y151 AromaticContact CZ-CE2 3.57Å; F136-Y151 HydrophobicContact CZ-CE2 3.57Å; F136-Y151 AromaticContact CZ-CZ 3.63Å; F136-Y151 WeakPolarHBondContact CZ-OH 3.37Å; V139-Y151 HydrophobicContact CG1-CD2 4.28Å; T147-Y151 WeakPolarHBondContact O-CA 3.48Å; T147-Y151 WeakPolarHBondContact O-CB 3.42Å; T147-Y151 PolarHBondContact O-N 2.82Å; Y151-I154 PolarHBondContact O-N 2.87Å; Y151-K155 HydrophobicContact CE1-CD 4.07Å; Y151-K155 WeakPolarHBondContact O-CB 3.29Å; Y151-K155 PolarHBondContact O-N 3.23Å
152	K	62.6	Low	59.1	Low	161 Å²	161	111.3 Å²	111.3	70%	0.7	55%	0.549	S	S	*	.	H	α-helix	trans	-66.4	-38.5	176.7	-161.5	175.4	-171.8	-179.8	0	112.2	A148 K149 A156	A148-K152 WeakPolarHBondContact O-CB 3.03Å; A148-K152 PolarHBondContact O-N 2.9Å; K149-K152 PolarHBondContact O-N 2.86Å; K152-A156 WeakPolarHBondContact O-CB 3.07Å; K152-A156 PolarHBondContact O-N 3.45Å
153	A	64.8	Low	58.9	Low	58 Å²	58	109.4 Å²	109.4	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-68.5	-41.4	175.9	0	0	0	0	0	112.5	K149 Q150 K157	K149-A153 VanDerWaalsContact O-CB 3.32Å; K149-A153 WeakPolarHBondContact O-CB 3.26Å; K149-A153 PolarHBondContact O-N 3.47Å; Q150-A153 PolarHBondContact O-N 2.8Å; A153-K157 WeakPolarHBondContact O-CB 3.22Å; A153-K157 WeakPolarHBondContact O-CG 3.41Å; A153-K157 PolarHBondContact O-N 2.92Å
154	I	60.8	Low	58.5	Low	80 Å²	80	104.5 Å²	104.5	41%	0.41	52%	0.523	S	S	.	.	H	α-helix	trans	-70.9	-41.8	177.1	-67.8	165.7	0	0	0	110.8	L132 Q150 Y151 A156 K157 M158	L132-I154 HydrophobicContact CD2-CG2 4.48Å; Q150-I154 WeakPolarHBondContact O-CB 3.47Å; Q150-I154 WeakPolarHBondContact O-CD1 3.48Å; Q150-I154 WeakPolarHBondContact O-CG1 3.43Å; Q150-I154 PolarHBondContact O-N 3.43Å; Y151-I154 PolarHBondContact O-N 2.87Å; I154-A156 PolarHBondContact O-N 2.84Å; I154-K157 CarbonylContact O-C 3.51Å; I154-K157 WeakPolarHBondContact O-CB 3.18Å; I154-K157 PolarHBondContact O-N 3.37Å; I154-M158 WeakPolarHBondContact O-CB 3.37Å; I154-M158 PolarHBondContact O-N 3.34Å
155	K	59.5	Low	58.5	Low	101 Å²	101	99.1 Å²	99.1	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-42	173.8	-174.9	173.4	-177.8	171.6	0	111.7	Y151 M158 E159	Y151-K155 HydrophobicContact CE1-CD 4.07Å; Y151-K155 WeakPolarHBondContact O-CB 3.29Å; Y151-K155 PolarHBondContact O-N 3.23Å; K155-M158 PolarHBondContact O-N 2.89Å; K155-E159 PolarHBondContact O-N 3.22Å
156	A	65.6	Low	58.2	Low	60 Å²	60	92.1 Å²	92.1	50%	0.496	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-41.8	173.4	0	0	0	0	0	111.8	K152 I154 M158 E160	K152-A156 WeakPolarHBondContact O-CB 3.07Å; K152-A156 PolarHBondContact O-N 3.45Å; I154-A156 PolarHBondContact O-N 2.84Å; A156-M158 VanDerWaalsContact C-N 3.3Å; A156-M158 PolarHBondContact O-N 3.15Å; A156-E160 VanDerWaalsContact O-CB 3.29Å; A156-E160 WeakPolarHBondContact O-CB 3.36Å; A156-E160 PolarHBondContact O-N 2.68Å
157	K	63.6	Low	57.8	Low	106 Å²	106	87.1 Å²	87.1	46%	0.461	45%	0.447	S	S	.	.	H	α-helix	trans	-62	-35.3	172.6	-88.2	-80.7	171	-152.2	0	113	A153 I154 E160 L161	A153-K157 WeakPolarHBondContact O-CB 3.22Å; A153-K157 WeakPolarHBondContact O-CG 3.41Å; A153-K157 PolarHBondContact O-N 2.92Å; I154-K157 CarbonylContact O-C 3.51Å; I154-K157 WeakPolarHBondContact O-CB 3.18Å; I154-K157 PolarHBondContact O-N 3.37Å; K157-E160 IonicContact NZ-OE2 3.81Å; K157-E160 PolarHBondContact NZ-OE2 3.29Å; K157-E160 WeakPolarHBondContact O-CB 2.98Å; K157-E160 PolarHBondContact O-N 3.2Å; K157-L161 WeakPolarHBondContact O-CB 3.17Å; K157-L161 VanDerWaalsContact O-CG 3.23Å; K157-L161 WeakPolarHBondContact O-CG 3.34Å; K157-L161 PolarHBondContact O-N 3.04Å
158	M	59.5	Low	57.5	Low	39 Å²	39	85.3 Å²	85.3	19%	0.192	44%	0.435	C	S	.	.	H	α-helix	trans	-78.7	-38	-179	-155.7	139	121	0	0	111.5	L132 E133 F136 I154 K155 A156 E160 L161 R162	L132-M158 HydrophobicContact CB-SD 4.42Å; L132-M158 HydrophobicContact CD2-SD 4.15Å; E133-M158 HydrophobicContact CB-CE 4.21Å; E133-M158 HydrophobicContact CG-CE 4.19Å; F136-M158 HydrophobicContact CB-CE 4.28Å; F136-M158 HydrophobicContact CG-CE 4.25Å; I154-M158 WeakPolarHBondContact O-CB 3.37Å; I154-M158 PolarHBondContact O-N 3.34Å; K155-M158 PolarHBondContact O-N 2.89Å; A156-M158 VanDerWaalsContact C-N 3.3Å; A156-M158 PolarHBondContact O-N 3.15Å; M158-E160 VanDerWaalsContact C-N 3.25Å; M158-E160 PolarHBondContact O-N 2.86Å; M158-L161 CarbonylContact O-C 3.48Å; M158-L161 PolarHBondContact O-N 3.26Å; M158-L161 VanDerWaalsContact O-N 3.14Å; M158-R162 VanDerWaalsContact O-CB 3.32Å; M158-R162 WeakPolarHBondContact O-CB 2.87Å; M158-R162 PolarHBondContact O-N 2.91Å
159	E	60	Low	57.1	Low	101 Å²	101	85.4 Å²	85.4	47%	0.472	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-31	167.3	-72.9	-61.3	159.2	0	0	112.1	K155 L161 R162 P163	K155-E159 PolarHBondContact O-N 3.22Å; E159-L161 VanDerWaalsContact C-N 3.33Å; E159-R162 IonicContact OE1-NH1 3.04Å; E159-R162 PolarHBondContact OE1-NH1 3.25Å; E159-R162 VanDerWaalsContact OE1-NH1 3.11Å; E159-R162 IonicContact OE2-NH1 3.74Å; E159-P163 WeakPolarHBondContact O-CD 3.44Å
160	E	61.5	Low	56.9	Low	106 Å²	106	78.7 Å²	78.7	50%	0.495	39%	0.393	S	S	.	.	H	α-helix	trans	-69.1	-30.7	171.8	-164.5	-178.2	-148.3	0	0	111.9	A156 K157 M158	A156-E160 VanDerWaalsContact O-CB 3.29Å; A156-E160 WeakPolarHBondContact O-CB 3.36Å; A156-E160 PolarHBondContact O-N 2.68Å; K157-E160 IonicContact NZ-OE2 3.81Å; K157-E160 PolarHBondContact NZ-OE2 3.29Å; K157-E160 WeakPolarHBondContact O-CB 2.98Å; K157-E160 PolarHBondContact O-N 3.2Å; M158-E160 VanDerWaalsContact C-N 3.25Å; M158-E160 PolarHBondContact O-N 2.86Å
161	L	57.6	Low	56.5	Low	55 Å²	55	73.4 Å²	73.4	29%	0.288	37%	0.368	S	S	.	.	H	α-helix	trans	-97.2	-19.1	-178.1	-68.2	171.2	0	0	0	114.6	L129 K157 M158 E159 P163 L164	L129-L161 HydrophobicContact CD2-CB 4.02Å; L129-L161 HydrophobicContact CD2-CD1 4.48Å; K157-L161 WeakPolarHBondContact O-CB 3.17Å; K157-L161 VanDerWaalsContact O-CG 3.23Å; K157-L161 WeakPolarHBondContact O-CG 3.34Å; K157-L161 PolarHBondContact O-N 3.04Å; M158-L161 CarbonylContact O-C 3.48Å; M158-L161 PolarHBondContact O-N 3.26Å; M158-L161 VanDerWaalsContact O-N 3.14Å; E159-L161 VanDerWaalsContact C-N 3.33Å; L161-P163 VanDerWaalsContact C-N 3.31Å; L161-L164 HydrophobicContact CB-CD1 4.37Å; L161-L164 HydrophobicContact CD2-CD1 3.55Å; L161-L164 VanDerWaalsContact O-CB 3.28Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.39Å
162	R	52.2	Low	56	Low	156 Å²	156	76.1 Å²	76.1	59%	0.589	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.9	178.6	-168	178.7	-170.2	153.3	4.5	113.6	M158 E159 L164 I165 P166	M158-R162 VanDerWaalsContact O-CB 3.32Å; M158-R162 WeakPolarHBondContact O-CB 2.87Å; M158-R162 PolarHBondContact O-N 2.91Å; E159-R162 IonicContact OE1-NH1 3.04Å; E159-R162 PolarHBondContact OE1-NH1 3.25Å; E159-R162 VanDerWaalsContact OE1-NH1 3.11Å; E159-R162 IonicContact OE2-NH1 3.74Å; R162-L164 PolarHBondContact O-N 2.85Å; R162-L164 VanDerWaalsContact O-N 3.17Å; R162-I165 PolarHBondContact O-N 3.24Å; R162-P166 WeakPolarHBondContact O-CD 3.48Å
163	P	56.4	Low	55.3	Low	84 Å²	84	71.2 Å²	71.2	55%	0.545	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.2	174.8	-20.5	33.4	0	0	0	114.1	E159 L161 P166	E159-P163 WeakPolarHBondContact O-CD 3.44Å; L161-P163 VanDerWaalsContact C-N 3.31Å; P163-P166 WeakPolarHBondContact O-CD 3.18Å
164	L	52.7	Low	54.5	Low	53 Å²	53	70.7 Å²	70.7	28%	0.277	36%	0.359	S	S	.	.	H	α-helix	trans	-79.2	-25.5	176.9	-78.2	125.7	0	0	0	113.2	M125 L161 R162 V167 L168	M125-L164 HydrophobicContact SD-CD2 4.2Å; L161-L164 HydrophobicContact CB-CD1 4.37Å; L161-L164 HydrophobicContact CD2-CD1 3.55Å; L161-L164 VanDerWaalsContact O-CB 3.28Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.39Å; R162-L164 PolarHBondContact O-N 2.85Å; R162-L164 VanDerWaalsContact O-N 3.17Å; L164-V167 WeakPolarHBondContact O-CA 3.16Å; L164-V167 VanDerWaalsContact O-CB 3.24Å; L164-V167 WeakPolarHBondContact O-CB 3.38Å; L164-V167 PolarHBondContact O-N 2.92Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 3.42Å
165	I	52.2	Low	54.1	Low	74 Å²	74	67.6 Å²	67.6	38%	0.379	35%	0.346	S	S	.	.	H	α-helix	trans	-58.5	-45.8	-178.7	-66.1	170.6	0	0	0	111.8	L129 R162 V167 L168 E169	L129-I165 HydrophobicContact CD1-CG1 4.48Å; R162-I165 PolarHBondContact O-N 3.24Å; I165-V167 VanDerWaalsContact C-N 3.28Å; I165-V167 PolarHBondContact O-N 3.43Å; I165-L168 PolarHBondContact O-N 3.32Å; I165-L168 VanDerWaalsContact O-N 3.16Å; I165-E169 PolarHBondContact O-N 3.23Å; I165-E169 VanDerWaalsContact O-N 3.16Å
166	P	47.6	Very low	53.7	Low	28 Å²	28	69.4 Å²	69.4	18%	0.182	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-34.7	171.6	-26.1	36	0	0	0	113.8	R162 P163 L168 E169 E170 S482	R162-P166 WeakPolarHBondContact O-CD 3.48Å; P163-P166 WeakPolarHBondContact O-CD 3.18Å; P166-L168 VanDerWaalsContact C-N 3.31Å; P166-L168 PolarHBondContact O-N 3Å; P166-E169 PolarHBondContact O-N 2.97Å; P166-E170 PolarHBondContact O-N 3.13Å; P166-S482 WeakPolarHBondContact O-CB 3.44Å
167	V	47.7	Very low	52.9	Low	46 Å²	46	70.1 Å²	70.1	28%	0.279	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-41.3	175.4	-175.1	0	0	0	0	110.5	L164 I165 Y171 S482	L164-V167 WeakPolarHBondContact O-CA 3.16Å; L164-V167 VanDerWaalsContact O-CB 3.24Å; L164-V167 WeakPolarHBondContact O-CB 3.38Å; L164-V167 PolarHBondContact O-N 2.92Å; I165-V167 VanDerWaalsContact C-N 3.28Å; I165-V167 PolarHBondContact O-N 3.43Å; V167-Y171 WeakPolarHBondContact O-CB 3.25Å; V167-Y171 PolarHBondContact O-N 3.38Å; V167-S482 WeakPolarHBondContact CG2-OG 3.45Å; V167-S482 VanDerWaalsContact N-CB 3.29Å
168	L	50.9	Low	52.4	Low	14 Å²	14	65.7 Å²	65.7	7%	0.073	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-39.8	-180	-55.1	170.9	0	0	0	111.9	V122 E126 L129 L164 I165 P166 Y171 K172	V122-L168 HydrophobicContact CB-CD2 3.61Å; V122-L168 HydrophobicContact CG1-CB 3.87Å; V122-L168 HydrophobicContact CG1-CD2 3.19Å; V122-L168 HydrophobicContact CG1-CG 4.02Å; V122-L168 HydrophobicContact CG2-CD2 3.53Å; E126-L168 HydrophobicContact CB-CD1 4.15Å; E126-L168 HydrophobicContact CG-CD1 4.49Å; L129-L168 HydrophobicContact CD1-CD1 4.39Å; L164-L168 WeakPolarHBondContact O-CG 3.41Å; L164-L168 PolarHBondContact O-N 3.42Å; I165-L168 PolarHBondContact O-N 3.32Å; I165-L168 VanDerWaalsContact O-N 3.16Å; P166-L168 VanDerWaalsContact C-N 3.31Å; P166-L168 PolarHBondContact O-N 3Å; L168-Y171 WeakPolarHBondContact O-CB 3.19Å; L168-Y171 PolarHBondContact O-N 2.93Å; L168-K172 PolarHBondContact O-N 3.47Å; L168-K172 VanDerWaalsContact O-N 3.13Å
169	E	48.7	Very low	52.1	Low	85 Å²	85	68.6 Å²	68.6	40%	0.397	35%	0.346	S	S	.	.	H	α-helix	trans	-70.1	-36	177.2	-72.6	-67.3	167.8	0	0	112.4	I165 P166 K172 A173	I165-E169 PolarHBondContact O-N 3.23Å; I165-E169 VanDerWaalsContact O-N 3.16Å; P166-E169 PolarHBondContact O-N 2.97Å; E169-K172 WeakPolarHBondContact O-CB 3.39Å; E169-K172 PolarHBondContact O-N 2.91Å; E169-K172 IonicContact OE1-NZ 2.81Å; E169-K172 WeakPolarHBondContact OE2-CD 3.48Å; E169-K172 IonicContact OE2-NZ 3.24Å; E169-K172 PolarHBondContact OE2-NZ 3.3Å; E169-A173 PolarHBondContact O-N 2.86Å
170	E	51.2	Low	52	Low	52 Å²	52	69 Å²	69	24%	0.243	35%	0.348	C	S	.	.	H	α-helix	trans	-66.9	-41.9	172.5	-173.6	162.2	137.4	0	0	111.7	P166 K172 A173 D174 I480 S481 S482 Q483	P166-E170 PolarHBondContact O-N 3.13Å; E170-K172 PolarHBondContact O-N 2.98Å; E170-K172 VanDerWaalsContact O-N 3.17Å; E170-A173 WeakPolarHBondContact O-CA 3.46Å; E170-A173 WeakPolarHBondContact O-CB 3.44Å; E170-A173 PolarHBondContact O-N 2.76Å; E170-D174 PolarHBondContact O-N 3.08Å; E170-I480 HydrophobicContact CG-CG2 4.49Å; E170-S481 VanDerWaalsContact CD-O 3.28Å; E170-S481 WeakPolarHBondContact OE1-CA 3.28Å; E170-S481 PolarHBondContact OE1-N 2.92Å; E170-S482 PolarHBondContact OE1-N 2.99Å; E170-S482 WeakPolarHBondContact OE2-CA 3.34Å; E170-S482 PolarHBondContact OE2-N 3.13Å; E170-Q483 PolarHBondContact OE2-N 3.21Å
171	Y	50.9	Low	51.6	Low	15 Å²	15	64.4 Å²	64.4	6%	0.059	33%	0.327	C	S	.	.	H	α-helix	trans	-55.6	-36.1	174.2	-154.5	-82.3	0	0	0	112.1	T115 D118 L119 V122 V167 L168 A175 I480	T115-Y171 WeakPolarHBondContact CA-OH 3.49Å; T115-Y171 HydrophobicContact CG2-CE1 3.75Å; D118-Y171 HydrophobicContact CB-CE1 3.98Å; D118-Y171 HydrophobicContact CB-CE2 4.08Å; D118-Y171 VanDerWaalsContact CB-CZ 3.42Å; D118-Y171 WeakPolarHBondContact CB-OH 3.45Å; D118-Y171 PolarHBondContact OD2-OH 3.44Å; D118-Y171 VanDerWaalsContact OD2-OH 3.09Å; L119-Y171 HydrophobicContact CB-CD1 4.49Å; L119-Y171 HydrophobicContact CB-CE1 4.19Å; L119-Y171 HydrophobicContact CD1-CD1 4.07Å; L119-Y171 HydrophobicContact CD1-CE1 4.28Å; V122-Y171 HydrophobicContact CG2-CG 4.42Å; V167-Y171 WeakPolarHBondContact O-CB 3.25Å; V167-Y171 PolarHBondContact O-N 3.38Å; L168-Y171 WeakPolarHBondContact O-CB 3.19Å; L168-Y171 PolarHBondContact O-N 2.93Å; Y171-A175 WeakPolarHBondContact O-CB 3.43Å; Y171-A175 PolarHBondContact O-N 3.5Å; Y171-I480 HydrophobicContact CD2-CD1 4Å; Y171-I480 HydrophobicContact CD2-CG2 3.6Å; Y171-I480 HydrophobicContact CE2-CD1 3.54Å; Y171-I480 HydrophobicContact CE2-CG2 4.25Å; Y171-I480 HydrophobicContact CG-CG2 4.29Å
172	K	49.6	Very low	51.6	Low	125 Å²	125	65.2 Å²	65.2	54%	0.543	33%	0.328	S	S	.	.	H	α-helix	trans	-72.9	-35.6	176	-178.4	-176.1	172.5	-169.1	0	112.7	L168 E169 E170 K176	L168-K172 PolarHBondContact O-N 3.47Å; L168-K172 VanDerWaalsContact O-N 3.13Å; E169-K172 WeakPolarHBondContact O-CB 3.39Å; E169-K172 PolarHBondContact O-N 2.91Å; E169-K172 IonicContact OE1-NZ 2.81Å; E169-K172 WeakPolarHBondContact OE2-CD 3.48Å; E169-K172 IonicContact OE2-NZ 3.24Å; E169-K172 PolarHBondContact OE2-NZ 3.3Å; E170-K172 PolarHBondContact O-N 2.98Å; E170-K172 VanDerWaalsContact O-N 3.17Å; K172-K176 WeakPolarHBondContact O-CB 3.32Å; K172-K176 PolarHBondContact O-N 3.14Å
173	A	48.9	Very low	52.2	Low	57 Å²	57	64.1 Å²	64.1	47%	0.471	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-43.5	172.4	0	0	0	0	0	111.2	E169 E170 K176 L177	E169-A173 PolarHBondContact O-N 2.86Å; E170-A173 WeakPolarHBondContact O-CA 3.46Å; E170-A173 WeakPolarHBondContact O-CB 3.44Å; E170-A173 PolarHBondContact O-N 2.76Å; A173-K176 WeakPolarHBondContact O-CB 3.38Å; A173-K176 PolarHBondContact O-N 2.99Å; A173-L177 PolarHBondContact O-N 3.41Å
174	D	48.4	Very low	52.5	Low	47 Å²	47	63.3 Å²	63.3	25%	0.251	32%	0.318	S	S	.	.	H	α-helix	trans	-65.7	-40.8	175.3	-73.1	-18.2	0	0	0	111.9	E170 K176 L177 V178 I480	E170-D174 PolarHBondContact O-N 3.08Å; D174-K176 VanDerWaalsContact C-N 3.28Å; D174-K176 PolarHBondContact O-N 2.89Å; D174-L177 WeakPolarHBondContact O-CB 3.43Å; D174-L177 PolarHBondContact O-N 3.49Å; D174-L177 VanDerWaalsContact O-N 3.15Å; D174-V178 WeakPolarHBondContact O-CG2 3.49Å; D174-V178 PolarHBondContact O-N 2.83Å; D174-I480 WeakPolarHBondContact OD2-CB 3.44Å; D174-I480 VanDerWaalsContact OD2-CG1 3.28Å; D174-I480 WeakPolarHBondContact OD2-CG1 3.36Å; D174-I480 VanDerWaalsContact OD2-CG2 3.25Å; D174-I480 WeakPolarHBondContact OD2-CG2 3.3Å
175	A	51.2	Low	52.9	Low	15 Å²	15	61 Å²	61	12%	0.124	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-37.7	172.8	0	0	0	0	0	112.1	T115 L119 Y171 V178 L179	T115-A175 HydrophobicContact CG2-CB 3.94Å; L119-A175 HydrophobicContact CD1-CB 3.54Å; Y171-A175 WeakPolarHBondContact O-CB 3.43Å; Y171-A175 PolarHBondContact O-N 3.5Å; A175-V178 PolarHBondContact O-N 3.19Å; A175-L179 WeakPolarHBondContact O-CG 3.49Å; A175-L179 PolarHBondContact O-N 3.35Å
176	K	51	Low	53.5	Low	140 Å²	140	63.4 Å²	63.4	61%	0.609	32%	0.316	S	S	*	.	H	α-helix	trans	-67.1	-39.1	174.1	-170.6	-179.8	-179.3	-178.2	0	111.9	K172 A173 D174 L179 Q180	K172-K176 WeakPolarHBondContact O-CB 3.32Å; K172-K176 PolarHBondContact O-N 3.14Å; A173-K176 WeakPolarHBondContact O-CB 3.38Å; A173-K176 PolarHBondContact O-N 2.99Å; D174-K176 VanDerWaalsContact C-N 3.28Å; D174-K176 PolarHBondContact O-N 2.89Å; K176-L179 WeakPolarHBondContact O-CB 3.43Å; K176-L179 PolarHBondContact O-N 2.59Å; K176-Q180 WeakPolarHBondContact O-CG 3.43Å; K176-Q180 PolarHBondContact O-N 2.82Å
177	L	49.8	Very low	54.5	Low	74 Å²	74	66 Å²	66	39%	0.387	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-41.8	174.7	-173.7	67.8	0	0	0	111.1	A173 D174 L179 Q180 F181	A173-L177 PolarHBondContact O-N 3.41Å; D174-L177 WeakPolarHBondContact O-CB 3.43Å; D174-L177 PolarHBondContact O-N 3.49Å; D174-L177 VanDerWaalsContact O-N 3.15Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 3.22Å; L177-Q180 WeakPolarHBondContact O-CB 3.43Å; L177-Q180 PolarHBondContact O-N 3.21Å; L177-F181 HydrophobicContact CD1-CD2 4.46Å; L177-F181 HydrophobicContact CD1-CE2 3.94Å; L177-F181 HydrophobicContact CD1-CZ 4.33Å; L177-F181 HydrophobicContact CD2-CE2 3.85Å; L177-F181 HydrophobicContact CG-CD2 3.93Å; L177-F181 HydrophobicContact CG-CE2 3.52Å; L177-F181 HydrophobicContact CG-CZ 4.35Å; L177-F181 WeakPolarHBondContact O-CD2 3.34Å; L177-F181 PolarHBondContact O-N 3.19Å
178	V	51.7	Low	55.3	Low	13 Å²	13	64 Å²	64	8%	0.079	32%	0.316	C	S	.	.	H	α-helix	trans	-60.8	-40.8	173.1	171.8	0	0	0	0	111.4	L111 D112 D174 A175 F181 K182	L111-V178 HydrophobicContact CD2-CG2 3.93Å; D112-V178 HydrophobicContact CB-CG1 4.41Å; D174-V178 WeakPolarHBondContact O-CG2 3.49Å; D174-V178 PolarHBondContact O-N 2.83Å; A175-V178 PolarHBondContact O-N 3.19Å; V178-F181 PolarHBondContact O-N 2.8Å; V178-K182 WeakPolarHBondContact O-CB 3.3Å; V178-K182 PolarHBondContact O-N 2.75Å
179	L	54.4	Low	56	Low	101 Å²	101	66 Å²	66	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-63.4	-41.9	174.6	-73.3	169.8	0	0	0	112.3	A175 K176 L177 K182 E183	A175-L179 WeakPolarHBondContact O-CG 3.49Å; A175-L179 PolarHBondContact O-N 3.35Å; K176-L179 WeakPolarHBondContact O-CB 3.43Å; K176-L179 PolarHBondContact O-N 2.59Å; L177-L179 VanDerWaalsContact C-N 3.33Å; L177-L179 PolarHBondContact O-N 3.22Å; L179-K182 WeakPolarHBondContact O-CB 3.46Å; L179-K182 PolarHBondContact O-N 3.25Å; L179-E183 PolarHBondContact O-N 2.83Å
180	Q	56.8	Low	57	Low	108 Å²	108	64.8 Å²	64.8	51%	0.505	33%	0.33	S	S	.	.	H	α-helix	trans	-62.8	-42.8	174.7	-73.7	178	-19.9	0	0	111.6	K176 L177 K182 E183 E184	K176-Q180 WeakPolarHBondContact O-CG 3.43Å; K176-Q180 PolarHBondContact O-N 2.82Å; L177-Q180 WeakPolarHBondContact O-CB 3.43Å; L177-Q180 PolarHBondContact O-N 3.21Å; Q180-K182 VanDerWaalsContact C-N 3.33Å; Q180-K182 PolarHBondContact O-N 2.78Å; Q180-E183 PolarHBondContact O-N 3.28Å; Q180-E184 WeakPolarHBondContact O-CB 3.48Å; Q180-E184 PolarHBondContact O-N 3.31Å
181	F	53.7	Low	57.9	Low	11 Å²	11	64.2 Å²	64.2	5%	0.048	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-40.8	173.6	-76.2	-53.3	0	0	0	111.8	L177 V178 E183 E184 V185 C221 K224 L225	L177-F181 HydrophobicContact CD1-CD2 4.46Å; L177-F181 HydrophobicContact CD1-CE2 3.94Å; L177-F181 HydrophobicContact CD1-CZ 4.33Å; L177-F181 HydrophobicContact CD2-CE2 3.85Å; L177-F181 HydrophobicContact CG-CD2 3.93Å; L177-F181 HydrophobicContact CG-CE2 3.52Å; L177-F181 HydrophobicContact CG-CZ 4.35Å; L177-F181 WeakPolarHBondContact O-CD2 3.34Å; L177-F181 PolarHBondContact O-N 3.19Å; V178-F181 PolarHBondContact O-N 2.8Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.98Å; F181-E184 PolarHBondContact O-N 3.26Å; F181-V185 WeakPolarHBondContact O-CB 3.38Å; F181-V185 VanDerWaalsContact O-CG2 3.25Å; F181-V185 WeakPolarHBondContact O-CG2 3.23Å; F181-V185 PolarHBondContact O-N 2.98Å; F181-C221 WeakPolarHBondContact CD1-SG 3.27Å; F181-C221 VanDerWaalsContact CE1-SG 3.55Å; F181-K224 HydrophobicContact CE1-CB 4.28Å; F181-K224 HydrophobicContact CZ-CB 3.78Å; F181-L225 HydrophobicContact CB-CD2 4.44Å; F181-L225 HydrophobicContact CD1-CD1 4.11Å; F181-L225 HydrophobicContact CD1-CD2 4.49Å; F181-L225 HydrophobicContact CD1-CG 4.02Å; F181-L225 HydrophobicContact CD2-CD2 3.5Å; F181-L225 HydrophobicContact CD2-CG 3.79Å; F181-L225 HydrophobicContact CE1-CD1 4.3Å; F181-L225 HydrophobicContact CE1-CG 3.92Å; F181-L225 HydrophobicContact CE2-CD2 3.72Å; F181-L225 HydrophobicContact CE2-CG 3.66Å; F181-L225 HydrophobicContact CG-CD1 4.25Å; F181-L225 HydrophobicContact CG-CD2 3.92Å; F181-L225 HydrophobicContact CG-CG 3.96Å; F181-L225 HydrophobicContact CZ-CD2 4.33Å; F181-L225 HydrophobicContact CZ-CG 3.75Å
182	K	56.8	Low	58.5	Low	71 Å²	71	63.6 Å²	63.6	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-42.4	176.7	-170.3	175.5	-175.9	170.4	0	111.9	D112 V178 L179 Q180 Q186	D112-K182 IonicContact OD2-NZ 3.79Å; D112-K182 PolarHBondContact OD2-NZ 3.49Å; V178-K182 WeakPolarHBondContact O-CB 3.3Å; V178-K182 PolarHBondContact O-N 2.75Å; L179-K182 WeakPolarHBondContact O-CB 3.46Å; L179-K182 PolarHBondContact O-N 3.25Å; Q180-K182 VanDerWaalsContact C-N 3.33Å; Q180-K182 PolarHBondContact O-N 2.78Å; K182-Q186 WeakPolarHBondContact O-CB 3.45Å; K182-Q186 VanDerWaalsContact O-CG 3.3Å; K182-Q186 WeakPolarHBondContact O-CG 3.49Å; K182-Q186 PolarHBondContact O-N 3.35Å
183	E	66.3	Low	59.3	Low	133 Å²	133	60 Å²	60	62%	0.621	32%	0.318	S	S	*	.	H	α-helix	trans	-64.7	-44.7	174.7	-173.3	179.1	-175.8	0	0	111.6	L179 Q180 F181 V185 Q186 N187	L179-E183 PolarHBondContact O-N 2.83Å; Q180-E183 PolarHBondContact O-N 3.28Å; F181-E183 VanDerWaalsContact C-N 3.33Å; F181-E183 PolarHBondContact O-N 2.98Å; E183-V185 VanDerWaalsContact C-N 3.32Å; E183-V185 PolarHBondContact O-N 3.27Å; E183-Q186 PolarHBondContact O-N 3.3Å; E183-N187 WeakPolarHBondContact O-CB 3.47Å; E183-N187 PolarHBondContact O-N 2.94Å
184	E	61.2	Low	60.3	Low	68 Å²	68	62.4 Å²	62.4	32%	0.318	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-37.9	178.6	-165.8	169.1	-159.7	0	0	111.9	Q180 F181 N187 L188	Q180-E184 WeakPolarHBondContact O-CB 3.48Å; Q180-E184 PolarHBondContact O-N 3.31Å; F181-E184 PolarHBondContact O-N 3.26Å; E184-N187 PolarHBondContact O-N 3.29Å; E184-L188 WeakPolarHBondContact O-CB 3.42Å; E184-L188 VanDerWaalsContact O-CG 3.3Å; E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.32Å
185	V	61.3	Low	61	Low	5 Å²	5	60.3 Å²	60.3	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-70.4	-38.7	174.4	174	0	0	0	0	112.1	V101 M104 T105 I108 F181 E183 N187 L188 T189	V101-V185 HydrophobicContact CG1-CG1 4.47Å; M104-V185 HydrophobicContact CE-CB 4.24Å; M104-V185 HydrophobicContact CE-CG1 4Å; M104-V185 HydrophobicContact CE-CG2 3.27Å; M104-V185 HydrophobicContact SD-CG2 4.02Å; T105-V185 WeakPolarHBondContact OG1-CG1 3.32Å; I108-V185 HydrophobicContact CD1-CB 4.32Å; I108-V185 HydrophobicContact CD1-CG2 3.51Å; F181-V185 WeakPolarHBondContact O-CB 3.38Å; F181-V185 VanDerWaalsContact O-CG2 3.25Å; F181-V185 WeakPolarHBondContact O-CG2 3.23Å; F181-V185 PolarHBondContact O-N 2.98Å; E183-V185 VanDerWaalsContact C-N 3.32Å; E183-V185 PolarHBondContact O-N 3.27Å; V185-N187 VanDerWaalsContact C-N 3.33Å; V185-L188 PolarHBondContact O-N 3.49Å; V185-T189 WeakPolarHBondContact O-CB 3.21Å; V185-T189 PolarHBondContact O-N 3.42Å; V185-T189 PolarHBondContact O-OG1 3.15Å
186	Q	64.5	Low	61.4	Low	123 Å²	123	64.6 Å²	64.6	58%	0.575	33%	0.326	S	S	*	.	H	α-helix	trans	-62.1	-42.5	172.4	-79.5	177.6	-21.7	0	0	111.4	K182 E183 T189 S190	K182-Q186 WeakPolarHBondContact O-CB 3.45Å; K182-Q186 VanDerWaalsContact O-CG 3.3Å; K182-Q186 WeakPolarHBondContact O-CG 3.49Å; K182-Q186 PolarHBondContact O-N 3.35Å; E183-Q186 PolarHBondContact O-N 3.3Å; Q186-T189 WeakPolarHBondContact O-CB 3.13Å; Q186-T189 PolarHBondContact O-N 3.21Å; Q186-S190 PolarHBondContact O-N 2.99Å
187	N	70.4	Confident	62	Low	84 Å²	84	66 Å²	66	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-49.2	174.9	-173.2	-22	0	0	0	111.1	E183 E184 V185 T189 S190 V191	E183-N187 WeakPolarHBondContact O-CB 3.47Å; E183-N187 PolarHBondContact O-N 2.94Å; E184-N187 PolarHBondContact O-N 3.29Å; V185-N187 VanDerWaalsContact C-N 3.33Å; N187-T189 VanDerWaalsContact C-N 3.26Å; N187-T189 PolarHBondContact O-N 2.87Å; N187-S190 WeakPolarHBondContact O-CB 3.45Å; N187-S190 PolarHBondContact O-N 3.07Å; N187-S190 VanDerWaalsContact O-N 3.14Å; N187-V191 WeakPolarHBondContact O-CG2 3.35Å; N187-V191 PolarHBondContact O-N 3.46Å
188	L	63.2	Low	62.6	Low	3 Å²	3	67 Å²	67	2%	0.016	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-41.6	174	-76.3	165.9	0	0	0	112	E184 V185 V191 L192 L214	E184-L188 WeakPolarHBondContact O-CB 3.42Å; E184-L188 VanDerWaalsContact O-CG 3.3Å; E184-L188 WeakPolarHBondContact O-CG 3.43Å; E184-L188 PolarHBondContact O-N 3.32Å; V185-L188 PolarHBondContact O-N 3.49Å; L188-V191 PolarHBondContact O-N 2.99Å; L188-L192 WeakPolarHBondContact O-CB 2.84Å; L188-L192 WeakPolarHBondContact O-CD1 3.21Å; L188-L192 WeakPolarHBondContact O-CG 3.27Å; L188-L192 PolarHBondContact O-N 2.94Å; L188-L214 HydrophobicContact CD2-CD2 3.38Å
189	T	65.2	Low	62.7	Low	56 Å²	56	69.1 Å²	69.1	34%	0.344	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-41.1	178.4	-53.2	0	0	0	0	111.6	V185 Q186 N187 L192 S193	V185-T189 WeakPolarHBondContact O-CB 3.21Å; V185-T189 PolarHBondContact O-N 3.42Å; V185-T189 PolarHBondContact O-OG1 3.15Å; Q186-T189 WeakPolarHBondContact O-CB 3.13Å; Q186-T189 PolarHBondContact O-N 3.21Å; N187-T189 VanDerWaalsContact C-N 3.26Å; N187-T189 PolarHBondContact O-N 2.87Å; T189-L192 PolarHBondContact O-N 3.41Å; T189-S193 WeakPolarHBondContact O-CB 3.49Å; T189-S193 PolarHBondContact O-N 2.88Å; T189-S193 PolarHBondContact O-OG 3.25Å
190	S	69.4	Low	62.7	Low	59 Å²	59	68.5 Å²	68.5	41%	0.413	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-50.3	175.4	-163.5	0	0	0	0	111.1	Q186 N187 L192 S193 E194	Q186-S190 PolarHBondContact O-N 2.99Å; N187-S190 WeakPolarHBondContact O-CB 3.45Å; N187-S190 PolarHBondContact O-N 3.07Å; N187-S190 VanDerWaalsContact O-N 3.14Å; S190-L192 VanDerWaalsContact C-N 3.32Å; S190-L192 PolarHBondContact O-N 3.39Å; S190-S193 WeakPolarHBondContact O-CB 3.33Å; S190-S193 PolarHBondContact O-N 3.3Å; S190-S193 VanDerWaalsContact O-N 3.08Å; S190-E194 WeakPolarHBondContact O-CG 3.29Å; S190-E194 PolarHBondContact O-N 2.91Å
191	V	71.3	Confident	62.5	Low	40 Å²	40	67.3 Å²	67.3	24%	0.242	37%	0.374	C	S	.	.	H	α-helix	trans	-61.7	-40.5	179.5	175.3	0	0	0	0	111.3	N187 L188 S193 L195 L214	N187-V191 WeakPolarHBondContact O-CG2 3.35Å; N187-V191 PolarHBondContact O-N 3.46Å; L188-V191 PolarHBondContact O-N 2.99Å; V191-S193 VanDerWaalsContact C-N 3.33Å; V191-L195 HydrophobicContact CG1-CD1 4.12Å; V191-L195 WeakPolarHBondContact O-CB 3.46Å; V191-L195 VanDerWaalsContact O-CG 3.27Å; V191-L195 WeakPolarHBondContact O-CG 3.3Å; V191-L195 PolarHBondContact O-N 3.35Å; V191-L214 HydrophobicContact CG1-CD1 4.17Å; V191-L214 HydrophobicContact CG1-CD2 4.1Å
192	L	62.5	Low	62.4	Low	2 Å²	2	68.8 Å²	68.8	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-64.3	-36.9	174.8	-88.3	156.4	0	0	0	112.5	L94 L97 L98 V101 L188 T189 S190 Q196 L214	L94-L192 HydrophobicContact CD1-CD2 3.67Å; L94-L192 HydrophobicContact CG-CD2 4.47Å; L97-L192 HydrophobicContact CB-CD2 4.36Å; L98-L192 HydrophobicContact CD2-CB 4.19Å; L98-L192 HydrophobicContact CD2-CD2 4.43Å; V101-L192 HydrophobicContact CB-CD1 4.35Å; V101-L192 HydrophobicContact CG2-CD1 3.7Å; L188-L192 WeakPolarHBondContact O-CB 2.84Å; L188-L192 WeakPolarHBondContact O-CD1 3.21Å; L188-L192 WeakPolarHBondContact O-CG 3.27Å; L188-L192 PolarHBondContact O-N 2.94Å; T189-L192 PolarHBondContact O-N 3.41Å; S190-L192 VanDerWaalsContact C-N 3.32Å; S190-L192 PolarHBondContact O-N 3.39Å; L192-Q196 WeakPolarHBondContact O-CB 3.43Å; L192-Q196 PolarHBondContact O-N 3.44Å; L192-L214 HydrophobicContact CG-CD1 4.43Å
193	S	66.6	Low	62.4	Low	51 Å²	51	70.7 Å²	70.7	36%	0.357	39%	0.393	S	S	.	.	H	α-helix	trans	-69.5	-44.3	178.2	-56.3	0	0	0	0	111.2	T189 S190 V191 Q196 E197	T189-S193 WeakPolarHBondContact O-CB 3.49Å; T189-S193 PolarHBondContact O-N 2.88Å; T189-S193 PolarHBondContact O-OG 3.25Å; S190-S193 WeakPolarHBondContact O-CB 3.33Å; S190-S193 PolarHBondContact O-N 3.3Å; S190-S193 VanDerWaalsContact O-N 3.08Å; V191-S193 VanDerWaalsContact C-N 3.33Å; S193-Q196 WeakPolarHBondContact O-CB 3.32Å; S193-Q196 PolarHBondContact O-N 2.93Å; S193-Q196 VanDerWaalsContact O-N 3.13Å; S193-E197 PolarHBondContact O-N 3.34Å
194	E	71.3	Confident	61.6	Low	106 Å²	106	69.7 Å²	69.7	50%	0.495	38%	0.384	S	S	.	.	H	α-helix	trans	-59.4	-46.7	173.2	-72.2	168.3	-161.5	0	0	111.3	S190 Q196 E197 E198	S190-E194 WeakPolarHBondContact O-CG 3.29Å; S190-E194 PolarHBondContact O-N 2.91Å; E194-Q196 PolarHBondContact O-N 2.98Å; E194-E197 PolarHBondContact O-N 3.3Å; E194-E198 WeakPolarHBondContact O-CB 3.43Å; E194-E198 PolarHBondContact O-N 3.23Å
195	L	62.2	Low	61.2	Low	4 Å²	4	73.5 Å²	73.5	2%	0.021	40%	0.402	C	S	.	.	H	α-helix	trans	-61.1	-33.2	175.4	-75.9	172.9	0	0	0	112.7	V191 M199 Y202 L207 L214	V191-L195 HydrophobicContact CG1-CD1 4.12Å; V191-L195 WeakPolarHBondContact O-CB 3.46Å; V191-L195 VanDerWaalsContact O-CG 3.27Å; V191-L195 WeakPolarHBondContact O-CG 3.3Å; V191-L195 PolarHBondContact O-N 3.35Å; L195-M199 WeakPolarHBondContact O-CG 3.35Å; L195-M199 PolarHBondContact O-N 2.89Å; L195-Y202 HydrophobicContact CD2-CD2 4.45Å; L195-Y202 HydrophobicContact CD2-CE2 4.06Å; L195-L207 HydrophobicContact CD2-CD1 4.05Å; L195-L214 HydrophobicContact CD1-CD1 3.48Å; L195-L214 VanDerWaalsContact CD1-CD1 3.48Å
196	Q	59.1	Low	61.1	Low	104 Å²	104	77.4 Å²	77.4	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-72.4	-36	177.2	-172	176.4	-23.8	0	0	112.1	L94 L192 S193 E194 M199	L94-Q196 HydrophobicContact CD2-CB 4.32Å; L94-Q196 HydrophobicContact CD2-CG 4.49Å; L192-Q196 WeakPolarHBondContact O-CB 3.43Å; L192-Q196 PolarHBondContact O-N 3.44Å; S193-Q196 WeakPolarHBondContact O-CB 3.32Å; S193-Q196 PolarHBondContact O-N 2.93Å; S193-Q196 VanDerWaalsContact O-N 3.13Å; E194-Q196 PolarHBondContact O-N 2.98Å; Q196-M199 HydrophobicContact CG-SD 4.46Å; Q196-M199 WeakPolarHBondContact O-CG 3.41Å
197	E	64.7	Low	60.9	Low	170 Å²	170	72.2 Å²	72.2	79%	0.794	40%	0.396	S	S	*	.	H	α-helix	trans	-74.1	-34.2	176.8	-72	-176.6	177.6	0	0	112.4	S193 E194	S193-E197 PolarHBondContact O-N 3.34Å; E194-E197 PolarHBondContact O-N 3.3Å
198	E	61.7	Low	60.3	Low	96 Å²	96	72.1 Å²	72.1	45%	0.449	39%	0.393	S	S	.	.	S	Bend	trans	-98.3	11.3	-176.8	-68.9	-175.7	163	0	0	114	E194 G200 A201 Y202	E194-E198 WeakPolarHBondContact O-CB 3.43Å; E194-E198 PolarHBondContact O-N 3.23Å; E198-G200 PolarHBondContact O-N 2.93Å; E198-A201 WeakPolarHBondContact O-CB 3.34Å; E198-A201 PolarHBondContact O-N 3.49Å; E198-Y202 HydrophobicContact CB-CD2 4.09Å; E198-Y202 HydrophobicContact CB-CE2 3.45Å; E198-Y202 VanDerWaalsContact CB-CE2 3.45Å; E198-Y202 VanDerWaalsContact O-CD2 3.29Å; E198-Y202 WeakPolarHBondContact O-CD2 3.28Å; E198-Y202 WeakPolarHBondContact OE2-CE2 3.36Å; E198-Y202 VanDerWaalsContact OE2-CZ 3.26Å; E198-Y202 PolarHBondContact OE2-OH 2.95Å
199	M	54.1	Low	60.3	Low	56 Å²	56	76.5 Å²	76.5	28%	0.276	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-26.7	-178	-76.2	-175.7	35.8	0	0	114.7	L94 L195 Q196	L94-M199 HydrophobicContact CD2-CG 4.42Å; L94-M199 HydrophobicContact CD2-SD 3.69Å; L195-M199 WeakPolarHBondContact O-CG 3.35Å; L195-M199 PolarHBondContact O-N 2.89Å; Q196-M199 HydrophobicContact CG-SD 4.46Å; Q196-M199 WeakPolarHBondContact O-CG 3.41Å
200	G	54	Low	60.3	Low	88 Å²	88	78.5 Å²	78.5	91%	0.907	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.1	178.1	0	0	0	0	0	115.1	E198	E198-G200 PolarHBondContact O-N 2.93Å
201	A	52.6	Low	60	Low	84 Å²	84	76.2 Å²	76.2	69%	0.694	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-15.3	-175.3	0	0	0	0	0	113.9	E198	E198-A201 WeakPolarHBondContact O-CB 3.34Å; E198-A201 PolarHBondContact O-N 3.49Å
202	Y	51.3	Low	59.6	Low	41 Å²	41	76.4 Å²	76.4	16%	0.161	41%	0.408	C	S	.	.	S	Bend	trans	-96.3	137.9	-176.7	-67.9	-68.1	0	0	0	113.2	L195 E198 E206 R210	L195-Y202 HydrophobicContact CD2-CD2 4.45Å; L195-Y202 HydrophobicContact CD2-CE2 4.06Å; E198-Y202 HydrophobicContact CB-CD2 4.09Å; E198-Y202 HydrophobicContact CB-CE2 3.45Å; E198-Y202 VanDerWaalsContact CB-CE2 3.45Å; E198-Y202 VanDerWaalsContact O-CD2 3.29Å; E198-Y202 WeakPolarHBondContact O-CD2 3.28Å; E198-Y202 WeakPolarHBondContact OE2-CE2 3.36Å; E198-Y202 VanDerWaalsContact OE2-CZ 3.26Å; E198-Y202 PolarHBondContact OE2-OH 2.95Å; Y202-E206 HydrophobicContact CD1-CG 4.32Å; Y202-R210 VanDerWaalsContact CE1-CZ 3.49Å; Y202-R210 VanDerWaalsContact CZ-NH1 3.3Å; Y202-R210 PolarHBondContact OH-NH1 2.95Å
203	D	57	Low	59.7	Low	111 Å²	111	80.3 Å²	80.3	59%	0.594	43%	0.429	S	S	*	.			trans	-67.5	150.1	165.9	-166.5	4.5	0	0	0	110.4	E205 E206 L207	D203-E205 VanDerWaalsContact C-N 3.29Å; D203-E205 PolarHBondContact O-N 2.54Å; D203-E206 PolarHBondContact O-N 2.93Å; D203-E206 VanDerWaalsContact O-N 3.15Å; D203-L207 PolarHBondContact O-N 2.96Å
204	Y	50.3	Low	59.5	Low	113 Å²	113	78.2 Å²	78.2	44%	0.443	41%	0.414	S	S	.	.	H	α-helix	trans	-56.1	-42	-175.2	179.1	-112.5	0	0	0	112.6	R90 H208	R90-Y204 HydrophobicContact CG-CD2 4.13Å; R90-Y204 HydrophobicContact CG-CE2 4Å; R90-Y204 VanDerWaalsContact CZ-CD2 3.5Å; Y204-H208 VanDerWaalsContact O-CB 3.22Å; Y204-H208 WeakPolarHBondContact O-CB 3.47Å; Y204-H208 PolarHBondContact O-N 2.94Å
205	E	52.9	Low	59	Low	147 Å²	147	74.6 Å²	74.6	69%	0.687	40%	0.397	S	S	*	.	H	α-helix	trans	-67	-39	179.6	-69.9	-172.2	166.8	0	0	112.2	D203 T209	D203-E205 VanDerWaalsContact C-N 3.29Å; D203-E205 PolarHBondContact O-N 2.54Å; E205-T209 WeakPolarHBondContact O-CB 3.33Å; E205-T209 PolarHBondContact O-N 2.96Å; E205-T209 VanDerWaalsContact O-N 3.07Å; E205-T209 PolarHBondContact O-OG1 3.28Å
206	E	59.4	Low	59.1	Low	88 Å²	88	78.7 Å²	78.7	41%	0.411	42%	0.416	S	S	.	.	H	α-helix	trans	-68.2	-45.5	177.8	-169.1	-179.4	171.8	0	0	110.9	Y202 D203 T209 R210	Y202-E206 HydrophobicContact CD1-CG 4.32Å; D203-E206 PolarHBondContact O-N 2.93Å; D203-E206 VanDerWaalsContact O-N 3.15Å; E206-T209 PolarHBondContact O-N 3.31Å; E206-R210 WeakPolarHBondContact O-CG 3.32Å; E206-R210 PolarHBondContact O-N 2.82Å; E206-R210 IonicContact OE1-CZ 2.75Å; E206-R210 IonicContact OE1-NE 3.39Å; E206-R210 PolarHBondContact OE1-NE 2.72Å; E206-R210 IonicContact OE1-NH2 3.03Å; E206-R210 PolarHBondContact OE1-NH2 3.35Å
207	L	58.9	Low	59.4	Low	13 Å²	13	77.6 Å²	77.6	7%	0.068	41%	0.407	C	S	.	.	H	α-helix	trans	-63.8	-44.1	178.1	-173.3	65.2	0	0	0	111.5	L195 D203 T209 R210 V211	L195-L207 HydrophobicContact CD2-CD1 4.05Å; D203-L207 PolarHBondContact O-N 2.96Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 2.91Å; L207-R210 PolarHBondContact O-N 2.81Å; L207-V211 HydrophobicContact CD1-CG2 4.42Å; L207-V211 HydrophobicContact CG-CG2 4.39Å; L207-V211 WeakPolarHBondContact O-CB 3.3Å; L207-V211 VanDerWaalsContact O-CG2 3.24Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.44Å
208	H	59.1	Low	59.2	Low	82 Å²	82	70.1 Å²	70.1	38%	0.38	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-39	178.5	-174.3	69.8	0	0	0	112.1	Y204 S212	Y204-H208 VanDerWaalsContact O-CB 3.22Å; Y204-H208 WeakPolarHBondContact O-CB 3.47Å; Y204-H208 PolarHBondContact O-N 2.94Å; H208-S212 WeakPolarHBondContact O-CB 3.5Å; H208-S212 PolarHBondContact O-N 2.88Å; H208-S212 PolarHBondContact O-OG 2.91Å
209	T	63.9	Low	59.3	Low	96 Å²	96	68.2 Å²	68.2	59%	0.589	36%	0.361	S	S	*	.	H	α-helix	trans	-65.3	-45.6	176.5	-56.9	0	0	0	0	111.5	E205 E206 L207 S212 N213	E205-T209 WeakPolarHBondContact O-CB 3.33Å; E205-T209 PolarHBondContact O-N 2.96Å; E205-T209 VanDerWaalsContact O-N 3.07Å; E205-T209 PolarHBondContact O-OG1 3.28Å; E206-T209 PolarHBondContact O-N 3.31Å; L207-T209 VanDerWaalsContact C-N 3.31Å; L207-T209 PolarHBondContact O-N 2.91Å; T209-S212 PolarHBondContact O-N 2.96Å; T209-N213 PolarHBondContact O-N 2.92Å
210	R	65	Low	59.7	Low	98 Å²	98	67.3 Å²	67.3	37%	0.37	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-43	177.4	-71.4	-173.1	-175	-164.9	7.9	112.2	Y202 E206 L207 N213 L214	Y202-R210 VanDerWaalsContact CE1-CZ 3.49Å; Y202-R210 VanDerWaalsContact CZ-NH1 3.3Å; Y202-R210 PolarHBondContact OH-NH1 2.95Å; E206-R210 WeakPolarHBondContact O-CG 3.32Å; E206-R210 PolarHBondContact O-N 2.82Å; E206-R210 IonicContact OE1-CZ 2.75Å; E206-R210 IonicContact OE1-NE 3.39Å; E206-R210 PolarHBondContact OE1-NE 2.72Å; E206-R210 IonicContact OE1-NH2 3.03Å; E206-R210 PolarHBondContact OE1-NH2 3.35Å; L207-R210 PolarHBondContact O-N 2.81Å; R210-N213 PolarHBondContact O-N 2.93Å; R210-L214 WeakPolarHBondContact O-CG 3.07Å; R210-L214 PolarHBondContact O-N 3.27Å
211	V	62.9	Low	60.1	Low	10 Å²	10	63.2 Å²	63.2	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-61.1	-46	176.5	166.1	0	0	0	0	111.1	Q93 L94 L97 L207 N213 L214 E215	Q93-V211 HydrophobicContact CG-CG1 4.18Å; L94-V211 HydrophobicContact CD1-CG2 4.34Å; L97-V211 HydrophobicContact CD1-CG1 3.5Å; L207-V211 HydrophobicContact CD1-CG2 4.42Å; L207-V211 HydrophobicContact CG-CG2 4.39Å; L207-V211 WeakPolarHBondContact O-CB 3.3Å; L207-V211 VanDerWaalsContact O-CG2 3.24Å; L207-V211 WeakPolarHBondContact O-CG2 3.46Å; L207-V211 PolarHBondContact O-N 3.44Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 2.63Å; V211-L214 PolarHBondContact O-N 3.31Å; V211-E215 PolarHBondContact O-N 2.03Å
212	S	61.8	Low	60.5	Low	45 Å²	45	59.8 Å²	59.8	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-40.1	177.5	-60.8	0	0	0	0	112.2	H208 T209 E215 E216	H208-S212 WeakPolarHBondContact O-CB 3.5Å; H208-S212 PolarHBondContact O-N 2.88Å; H208-S212 PolarHBondContact O-OG 2.91Å; T209-S212 PolarHBondContact O-N 2.96Å; S212-E215 PolarHBondContact O-N 2.89Å; S212-E216 PolarHBondContact O-N 3.36Å
213	N	65.6	Low	61	Low	84 Å²	84	59 Å²	59	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-63.7	-40.6	175.3	-174.7	-92.4	0	0	0	112.2	T209 R210 V211 E216 R217	T209-N213 PolarHBondContact O-N 2.92Å; R210-N213 PolarHBondContact O-N 2.93Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 2.63Å; N213-E216 PolarHBondContact O-N 3.15Å; N213-R217 WeakPolarHBondContact O-CG 3.39Å; N213-R217 PolarHBondContact O-N 2.99Å; N213-R217 WeakPolarHBondContact OD1-CD 3.39Å
214	L	61.9	Low	61.2	Low	7 Å²	7	58.7 Å²	58.7	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-41.4	176.3	-73.6	167	0	0	0	112	L188 V191 L192 L195 R210 V211 E216 R217 L218	L188-L214 HydrophobicContact CD2-CD2 3.38Å; V191-L214 HydrophobicContact CG1-CD1 4.17Å; V191-L214 HydrophobicContact CG1-CD2 4.1Å; L192-L214 HydrophobicContact CG-CD1 4.43Å; L195-L214 HydrophobicContact CD1-CD1 3.48Å; L195-L214 VanDerWaalsContact CD1-CD1 3.48Å; R210-L214 WeakPolarHBondContact O-CG 3.07Å; R210-L214 PolarHBondContact O-N 3.27Å; V211-L214 PolarHBondContact O-N 3.31Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 2.9Å; L214-R217 PolarHBondContact O-N 3.46Å; L214-L218 VanDerWaalsContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CB 3.35Å; L214-L218 PolarHBondContact O-N 2.69Å
215	E	60.8	Low	61.5	Low	30 Å²	30	55 Å²	55	14%	0.14	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-41.6	174.3	-73.5	179.4	177.4	0	0	112.1	Q93 L97 V211 S212 L218 R219	Q93-E215 PolarHBondContact NE2-OE1 3.41Å; L97-E215 HydrophobicContact CD1-CG 3.77Å; L97-E215 HydrophobicContact CD2-CG 3.68Å; L97-E215 HydrophobicContact CG-CG 3.91Å; V211-E215 PolarHBondContact O-N 2.03Å; S212-E215 PolarHBondContact O-N 2.89Å; E215-L218 PolarHBondContact O-N 2.88Å; E215-R219 WeakPolarHBondContact O-CB 3.47Å; E215-R219 PolarHBondContact O-N 3.19Å
216	E	63.8	Low	61.9	Low	89 Å²	89	48.1 Å²	48.1	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-46.7	176.8	-169.8	-177.6	178.9	0	0	111.7	S212 N213 L214 L218 R219 A220	S212-E216 PolarHBondContact O-N 3.36Å; N213-E216 PolarHBondContact O-N 3.15Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 2.9Å; E216-L218 PolarHBondContact O-N 3.48Å; E216-R219 PolarHBondContact O-N 3.48Å; E216-A220 WeakPolarHBondContact O-CB 3.27Å; E216-A220 PolarHBondContact O-N 3.5Å
217	R	64.9	Low	62.5	Low	81 Å²	81	45.3 Å²	45.3	31%	0.306	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-44.9	175.9	-72.8	178.4	64	-167.5	-2.8	111.9	N213 L214 A220 C221	N213-R217 WeakPolarHBondContact O-CG 3.39Å; N213-R217 PolarHBondContact O-N 2.99Å; N213-R217 WeakPolarHBondContact OD1-CD 3.39Å; L214-R217 PolarHBondContact O-N 3.46Å; R217-A220 PolarHBondContact O-N 3.46Å; R217-C221 WeakPolarHBondContact O-CB 3.2Å; R217-C221 PolarHBondContact O-N 3.3Å
218	L	62.3	Low	63	Low	13 Å²	13	45.3 Å²	45.3	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-44.5	177.7	-179.7	62.4	0	0	0	111.3	L97 K100 V101 M104 L214 E215 E216 C221 M222	L97-L218 HydrophobicContact CD2-CD2 4.33Å; K100-L218 HydrophobicContact CB-CD2 4.07Å; V101-L218 HydrophobicContact CG2-CD1 4.31Å; V101-L218 HydrophobicContact CG2-CD2 4.03Å; M104-L218 HydrophobicContact CE-CD1 3.12Å; M104-L218 HydrophobicContact SD-CD1 3.46Å; M104-L218 WeakPolarHBondContact SD-CD1 3.28Å; L214-L218 VanDerWaalsContact O-CB 3.28Å; L214-L218 WeakPolarHBondContact O-CB 3.35Å; L214-L218 PolarHBondContact O-N 2.69Å; E215-L218 PolarHBondContact O-N 2.88Å; E216-L218 PolarHBondContact O-N 3.48Å; L218-C221 PolarHBondContact O-N 2.95Å; L218-M222 HydrophobicContact CD1-CG 4.48Å; L218-M222 VanDerWaalsContact O-CG 3.32Å; L218-M222 WeakPolarHBondContact O-CG 3.47Å; L218-M222 PolarHBondContact O-N 3Å
219	R	62.7	Low	64	Low	56 Å²	56	44 Å²	44	21%	0.211	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-46.5	177.1	-172.3	-177.2	-65.8	109.8	-0.7	111.6	L32 E215 E216 C221 M222 Q223	L32-R219 HydrophobicContact CD2-CG 3.77Å; E215-R219 WeakPolarHBondContact O-CB 3.47Å; E215-R219 PolarHBondContact O-N 3.19Å; E216-R219 PolarHBondContact O-N 3.48Å; R219-C221 VanDerWaalsContact C-N 3.34Å; R219-C221 PolarHBondContact O-N 2.74Å; R219-M222 PolarHBondContact O-N 3.38Å; R219-Q223 WeakPolarHBondContact O-CG 3.3Å; R219-Q223 PolarHBondContact O-N 2.92Å
220	A	62.9	Low	65	Low	37 Å²	37	39.6 Å²	39.6	31%	0.306	20%	0.196	S	C	.	.	H	α-helix	trans	-63	-40.4	177.8	0	0	0	0	0	112.2	E216 R217 Q223 K224	E216-A220 WeakPolarHBondContact O-CB 3.27Å; E216-A220 PolarHBondContact O-N 3.5Å; R217-A220 PolarHBondContact O-N 3.46Å; A220-Q223 PolarHBondContact O-N 3.49Å; A220-K224 WeakPolarHBondContact O-CG 2.94Å; A220-K224 PolarHBondContact O-N 3.46Å
221	C	61.4	Low	65.9	Low	3 Å²	3	38.3 Å²	38.3	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-47.9	174.3	178.6	0	0	0	0	111.2	F181 R217 L218 R219 Q223 K224 L225	F181-C221 WeakPolarHBondContact CD1-SG 3.27Å; F181-C221 VanDerWaalsContact CE1-SG 3.55Å; R217-C221 WeakPolarHBondContact O-CB 3.2Å; R217-C221 PolarHBondContact O-N 3.3Å; L218-C221 PolarHBondContact O-N 2.95Å; R219-C221 VanDerWaalsContact C-N 3.34Å; R219-C221 PolarHBondContact O-N 2.74Å; C221-Q223 PolarHBondContact O-N 2.84Å; C221-K224 PolarHBondContact O-N 2.81Å; C221-L225 PolarHBondContact O-N 3.36Å
222	M	61.6	Low	66.8	Low	11 Å²	11	38.8 Å²	38.8	5%	0.054	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-38.1	178.9	-71.7	-61.3	-72.7	0	0	113.3	L26 V30 L32 M104 L218 R219 K224 L225 A226	L26-M222 HydrophobicContact CD2-CE 3.79Å; V30-M222 HydrophobicContact CB-CE 4.2Å; V30-M222 HydrophobicContact CG1-CE 4.02Å; V30-M222 HydrophobicContact CG2-CE 3.48Å; V30-M222 VanDerWaalsContact CG2-CE 3.48Å; L32-M222 HydrophobicContact CD1-CB 4.01Å; M104-M222 HydrophobicContact CB-SD 4.32Å; M104-M222 HydrophobicContact CG-SD 3.62Å; M104-M222 HydrophobicContact SD-CG 4.04Å; M104-M222 HydrophobicContact SD-SD 3.37Å; L218-M222 HydrophobicContact CD1-CG 4.48Å; L218-M222 VanDerWaalsContact O-CG 3.32Å; L218-M222 WeakPolarHBondContact O-CG 3.47Å; L218-M222 PolarHBondContact O-N 3Å; R219-M222 PolarHBondContact O-N 3.38Å; M222-K224 VanDerWaalsContact C-N 3.33Å; M222-K224 PolarHBondContact O-N 2.97Å; M222-L225 PolarHBondContact O-N 3.32Å; M222-L225 HydrophobicContact SD-CD1 4.01Å; M222-A226 VanDerWaalsContact O-CB 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.38Å; M222-A226 PolarHBondContact O-N 3.47Å
223	Q	62.4	Low	68.3	Low	25 Å²	25	37.6 Å²	37.6	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-43.7	175.1	-78.6	175	-24.3	0	0	111.4	R219 A220 C221 A226 C227 E361 P456	R219-Q223 WeakPolarHBondContact O-CG 3.3Å; R219-Q223 PolarHBondContact O-N 2.92Å; A220-Q223 PolarHBondContact O-N 3.49Å; C221-Q223 PolarHBondContact O-N 2.84Å; Q223-A226 CarbonylContact O-C 3.59Å; Q223-A226 PolarHBondContact O-N 2.89Å; Q223-C227 PolarHBondContact O-N 3Å; Q223-E361 HydrophobicContact CB-CB 4.41Å; Q223-E361 HydrophobicContact CB-CG 3.89Å; Q223-P456 PolarHBondContact NE2-O 3.16Å
224	K	61.1	Low	69.3	Low	105 Å²	105	35.7 Å²	35.7	46%	0.457	19%	0.189	S	C	.	.	H	α-helix	trans	-69.3	-37.7	175.5	-67	175.1	-176.6	173.4	0	113.1	F181 A220 C221 M222 A226 C227 E361	F181-K224 HydrophobicContact CE1-CB 4.28Å; F181-K224 HydrophobicContact CZ-CB 3.78Å; A220-K224 WeakPolarHBondContact O-CG 2.94Å; A220-K224 PolarHBondContact O-N 3.46Å; C221-K224 PolarHBondContact O-N 2.81Å; M222-K224 VanDerWaalsContact C-N 3.33Å; M222-K224 PolarHBondContact O-N 2.97Å; K224-A226 PolarHBondContact O-N 3.39Å; K224-C227 VanDerWaalsContact O-CB 3.27Å; K224-C227 WeakPolarHBondContact O-CB 3.38Å; K224-C227 PolarHBondContact O-N 2.96Å; K224-E361 WeakPolarHBondContact CE-O 3.36Å; K224-E361 HydrophobicContact CG-CB 4.27Å
225	L	56.4	Low	70.7	Confident	34 Å²	34	41 Å²	41	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-29.2	173.9	-88.8	155.2	0	0	0	112.2	M104 I108 F181 C221 M222 H478	M104-L225 HydrophobicContact SD-CD1 4.33Å; I108-L225 HydrophobicContact CD1-CD1 4.38Å; F181-L225 HydrophobicContact CB-CD2 4.44Å; F181-L225 HydrophobicContact CD1-CD1 4.11Å; F181-L225 HydrophobicContact CD1-CD2 4.49Å; F181-L225 HydrophobicContact CD1-CG 4.02Å; F181-L225 HydrophobicContact CD2-CD2 3.5Å; F181-L225 HydrophobicContact CD2-CG 3.79Å; F181-L225 HydrophobicContact CE1-CD1 4.3Å; F181-L225 HydrophobicContact CE1-CG 3.92Å; F181-L225 HydrophobicContact CE2-CD2 3.72Å; F181-L225 HydrophobicContact CE2-CG 3.66Å; F181-L225 HydrophobicContact CG-CD1 4.25Å; F181-L225 HydrophobicContact CG-CD2 3.92Å; F181-L225 HydrophobicContact CG-CG 3.96Å; F181-L225 HydrophobicContact CZ-CD2 4.33Å; F181-L225 HydrophobicContact CZ-CG 3.75Å; C221-L225 PolarHBondContact O-N 3.36Å; M222-L225 PolarHBondContact O-N 3.32Å; M222-L225 HydrophobicContact SD-CD1 4.01Å; L225-H478 PolarHBondContact O-CE1 3.12Å
226	A	61.6	Low	72.3	Confident	3 Å²	3	40.2 Å²	40.2	3%	0.025	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	18.3	-178.5	0	0	0	0	0	112.8	M222 Q223 K224 R459 H478	M222-A226 VanDerWaalsContact O-CB 3.29Å; M222-A226 WeakPolarHBondContact O-CB 3.38Å; M222-A226 PolarHBondContact O-N 3.47Å; Q223-A226 CarbonylContact O-C 3.59Å; Q223-A226 PolarHBondContact O-N 2.89Å; K224-A226 PolarHBondContact O-N 3.39Å; A226-R459 PolarHBondContact O-NH2 2.8Å; A226-H478 WeakPolarHBondContact CA-CE1 3.21Å; A226-H478 WeakPolarHBondContact CA-NE2 3.45Å; A226-H478 PolarHBondContact O-NE2 3.3Å
227	C	70.9	Confident	73.8	Confident	29 Å²	29	39.5 Å²	39.5	20%	0.196	22%	0.217	C	C	.	.			trans	-79.6	141.3	176.3	-98	0	0	0	0	114.7	Q223 K224 E361 C409 H478	Q223-C227 PolarHBondContact O-N 3Å; K224-C227 VanDerWaalsContact O-CB 3.27Å; K224-C227 WeakPolarHBondContact O-CB 3.38Å; K224-C227 PolarHBondContact O-N 2.96Å; C227-E361 VanDerWaalsContact SG-CD 3.54Å; C227-E361 VanDerWaalsContact SG-CG 3.55Å; C227-C409 WeakPolarHBondContact CA-SG 3.48Å; C227-C409 HydrophobicContact CB-CB 3.55Å; C227-C409 WeakPolarHBondContact CB-SG 3.17Å; C227-C409 VanDerWaalsContact SG-CA 3.6Å; C227-C409 WeakPolarHBondContact SG-CB 3.47Å; C227-C409 CovalentContact SG-SG 2.03Å; C227-C409 PolarHBondContact SG-SG 2.85Å; C227-H478 VanDerWaalsContact C-CE1 3.49Å; C227-H478 PolarHBondContact N-CE1 3.06Å; C227-H478 VanDerWaalsContact N-CE1 3.28Å; C227-H478 PolarHBondContact O-CE1 3.24Å; C227-H478 PolarHBondContact O-ND1 3.34Å
228	G	70.9	Confident	75.3	Confident	13 Å²	13	37.5 Å²	37.5	13%	0.134	21%	0.213	C	C	.	.			trans	-161	176.4	177.7	0	0	0	0	0	114	F477	G228-F477 CarbonylContact C-O 3.57Å; G228-F477 WeakPolarHBondContact CA-O 3.33Å
229	K	78.6	Confident	77	Confident	56 Å²	56	37.4 Å²	37.4	24%	0.243	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.6	176.2	-177.3	171.8	173.6	170.9	0	110.2	T231 E436 L476 F477 V479	K229-T231 PolarHBondContact O-N 3.37Å; K229-E436 WeakPolarHBondContact CE-OE1 3.28Å; K229-E436 IonicContact NZ-OE1 3.05Å; K229-E436 PolarHBondContact NZ-OE1 2.96Å; K229-E436 IonicContact NZ-OE2 3.76Å; K229-E436 PolarHBondContact NZ-OE2 3.36Å; K229-L476 CarbonylContact O-C 3.58Å; K229-L476 WeakPolarHBondContact O-CA 3.38Å; K229-F477 PolarHBondContact N-O 2.98Å; K229-F477 PolarHBondContact O-N 2.8Å; K229-V479 HydrophobicContact CB-CG2 3.87Å; K229-V479 HydrophobicContact CD-CG2 4.42Å
230	L	86.3	Confident	78.6	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	131	175.1	-177	67.2	0	0	0	109.9	G232 I233 F406 I408 Y413 V424 I440 V474 L476	L230-G232 WeakPolarHBondContact CD1-O 3.35Å; L230-I233 HydrophobicContact CD1-CG1 4.27Å; L230-I233 HydrophobicContact CD2-CD1 4.21Å; L230-I233 HydrophobicContact CD2-CG1 4.27Å; L230-F406 HydrophobicContact CD2-CE2 3.98Å; L230-F406 HydrophobicContact CD2-CZ 3.87Å; L230-I408 HydrophobicContact CD1-CD1 4.27Å; L230-Y413 HydrophobicContact CB-CD1 4.16Å; L230-Y413 HydrophobicContact CB-CE1 3.55Å; L230-Y413 HydrophobicContact CB-CE2 4.11Å; L230-Y413 HydrophobicContact CD2-CD1 4.03Å; L230-Y413 HydrophobicContact CD2-CE1 4.28Å; L230-Y413 HydrophobicContact CD2-CG 4.21Å; L230-Y413 PolarHBondContact N-OH 3.48Å; L230-V424 HydrophobicContact CD2-CG2 4.27Å; L230-I440 HydrophobicContact CB-CD1 4.25Å; L230-I440 HydrophobicContact CD2-CD1 4.1Å; L230-I440 HydrophobicContact CG-CD1 3.86Å; L230-I440 VanDerWaalsContact O-CD1 3.23Å; L230-I440 WeakPolarHBondContact O-CD1 2.97Å; L230-V474 HydrophobicContact CD1-CB 3.72Å; L230-V474 HydrophobicContact CD1-CG1 3.92Å; L230-L476 HydrophobicContact CB-CD2 4.36Å; L230-L476 HydrophobicContact CD1-CD2 4.01Å
231	T	83.4	Confident	80.2	Confident	70 Å²	70	38.3 Å²	38.3	43%	0.429	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	-19.6	178.8	51.6	0	0	0	0	113.8	K229 T475 F477	K229-T231 PolarHBondContact O-N 3.37Å; T231-T475 PolarHBondContact N-O 3.18Å; T231-T475 PolarHBondContact OG1-O 2.98Å; T231-F477 HydrophobicContact CG2-CB 3.37Å; T231-F477 HydrophobicContact CG2-CG 4.29Å
232	G	81.2	Confident	81.9	Confident	21 Å²	21	39.2 Å²	39.2	22%	0.216	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	152	178.4	0	0	0	0	0	112.1	L230 T475	L230-G232 WeakPolarHBondContact CD1-O 3.35Å; G232-T475 PolarHBondContact N-O 3.29Å; G232-T475 PolarHBondContact O-N 2.98Å
233	I	93	Very high	83.6	Confident	20 Å²	20	40.8 Å²	40.8	10%	0.103	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.6	172.3	-61	175.3	0	0	0	105.9	L230 V424 I440 F442 L461 Y472	L230-I233 HydrophobicContact CD1-CG1 4.27Å; L230-I233 HydrophobicContact CD2-CD1 4.21Å; L230-I233 HydrophobicContact CD2-CG1 4.27Å; I233-V424 HydrophobicContact CD1-CG2 3.68Å; I233-I440 HydrophobicContact CD1-CG2 4.4Å; I233-I440 HydrophobicContact CG1-CG2 4.19Å; I233-F442 HydrophobicContact CB-CB 3.8Å; I233-F442 HydrophobicContact CD1-CB 4.03Å; I233-F442 HydrophobicContact CD1-CD1 3.92Å; I233-F442 HydrophobicContact CD1-CG 4.08Å; I233-F442 HydrophobicContact CG2-CB 3.65Å; I233-F442 HydrophobicContact CG2-CG 4.33Å; I233-L461 HydrophobicContact CD1-CD1 3.94Å; I233-L461 HydrophobicContact CG1-CD1 4.37Å; I233-L461 HydrophobicContact CG2-CD1 4.42Å; I233-Y472 HydrophobicContact CG2-CD1 3.77Å; I233-Y472 HydrophobicContact CG2-CG 3.91Å
234	S	87.8	Confident	85.2	Confident	43 Å²	43	42 Å²	42	30%	0.301	26%	0.256	S	S	.	.			trans	-70.3	175.6	-178.6	75.3	0	0	0	0	112.5	Y472 N473	S234-Y472 WeakPolarHBondContact O-CD1 3.49Å; S234-N473 PolarHBondContact N-O 3.05Å; S234-N473 PolarHBondContact OG-N 2.93Å
235	D	90.8	Very high	87	Confident	120 Å²	120	43 Å²	43	64%	0.642	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-62.6	149	164.9	-71	-26.6	0	0	0	111.4
236	P	95.3	Very high	89	Confident	12 Å²	12	43.3 Å²	43.3	8%	0.078	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-70.3	130.9	-179.4	21.3	-29.8	0	0	0	113.2	Q443 K445 V470 L471 Y472	P236-Q443 HydrophobicContact CG-CB 4.16Å; P236-Q443 HydrophobicContact CG-CG 4.31Å; P236-K445 HydrophobicContact CB-CB 4.39Å; P236-K445 HydrophobicContact CB-CD 4.43Å; P236-K445 HydrophobicContact CG-CB 3.78Å; P236-K445 HydrophobicContact CG-CD 4.02Å; P236-K445 HydrophobicContact CG-CG 4.47Å; P236-V470 HydrophobicContact CB-CG1 3.3Å; P236-L471 WeakPolarHBondContact CA-O 3.49Å; P236-Y472 HydrophobicContact CB-CD1 4.07Å; P236-Y472 HydrophobicContact CB-CE1 3.47Å; P236-Y472 VanDerWaalsContact CB-CE1 3.47Å; P236-Y472 HydrophobicContact CG-CE1 3.94Å
237	V	94.2	Very high	90.7	Very high	75 Å²	75	43.2 Å²	43.2	46%	0.455	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	118.6	168.6	-175.5	0	0	0	0	109.4	I239 V470 L471	V237-I239 HydrophobicContact CB-CD1 4.48Å; V237-I239 HydrophobicContact CG1-CD1 3.89Å; V237-I239 PolarHBondContact O-N 2.91Å; V237-V470 CarbonylContact O-C 3.4Å; V237-V470 VanDerWaalsContact O-CA 3.31Å; V237-V470 WeakPolarHBondContact O-CA 3.22Å; V237-L471 PolarHBondContact N-O 3.38Å; V237-L471 PolarHBondContact O-N 2.78Å
238	T	97.3	Very high	92	Very high	38 Å²	38	41.8 Å²	41.8	23%	0.233	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.9	175.6	-50.1	0	0	0	0	109.5	K445 Y446 H468	T238-K445 PolarHBondContact OG1-NZ 2.96Å; T238-Y446 HydrophobicContact CG2-CE2 4.36Å; T238-Y446 WeakPolarHBondContact CG2-OH 3.21Å; T238-Y446 PolarHBondContact OG1-OH 3.24Å; T238-H468 HydrophobicContact CG2-CB 4.42Å
239	I	96.9	Very high	93.4	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-47.5	-178.5	-57.5	-54.4	0	0	0	111.1	V237 W249 M280 F283 M284 Q469 L471	V237-I239 HydrophobicContact CB-CD1 4.48Å; V237-I239 HydrophobicContact CG1-CD1 3.89Å; V237-I239 PolarHBondContact O-N 2.91Å; I239-W249 HydrophobicContact CB-CH2 4.07Å; I239-W249 HydrophobicContact CG1-CH2 3.82Å; I239-W249 HydrophobicContact CG1-CZ2 4.32Å; I239-W249 HydrophobicContact CG2-CH2 4.12Å; I239-W249 HydrophobicContact CG2-CZ3 4.21Å; I239-M280 HydrophobicContact CG2-SD 3.73Å; I239-F283 HydrophobicContact CG2-CD1 3.77Å; I239-F283 HydrophobicContact CG2-CE1 3.79Å; I239-M284 HydrophobicContact CB-CE 4.41Å; I239-M284 HydrophobicContact CD1-CE 3.85Å; I239-M284 HydrophobicContact CG2-CE 4.02Å; I239-M284 HydrophobicContact CG2-CG 3.56Å; I239-M284 HydrophobicContact CG2-SD 4.23Å; I239-Q469 PolarHBondContact N-O 3.2Å; I239-L471 HydrophobicContact CD1-CD1 3.82Å; I239-L471 HydrophobicContact CD1-CG 4.2Å; I239-L471 HydrophobicContact CG1-CB 4.36Å; I239-L471 HydrophobicContact CG1-CD1 3.85Å; I239-L471 HydrophobicContact CG1-CG 3.8Å
240	K	96.3	Very high	94.3	Very high	19 Å²	19	39 Å²	39	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.1	178.3	-167.4	-178.7	-178.6	72	0	110.5	S242 F283 T286 D287 H468 Q469	K240-S242 VanDerWaalsContact CD-OG 3.25Å; K240-S242 WeakPolarHBondContact CD-OG 3.4Å; K240-S242 WeakPolarHBondContact CE-OG 3.32Å; K240-F283 HydrophobicContact CB-CD1 4.37Å; K240-F283 HydrophobicContact CB-CE1 3.72Å; K240-F283 HydrophobicContact CB-CE2 4.45Å; K240-F283 HydrophobicContact CB-CZ 3.76Å; K240-F283 HydrophobicContact CD-CD1 4.46Å; K240-F283 HydrophobicContact CD-CD2 3.76Å; K240-F283 HydrophobicContact CD-CE1 4.12Å; K240-F283 HydrophobicContact CD-CE2 3.36Å; K240-F283 HydrophobicContact CD-CG 4.29Å; K240-F283 HydrophobicContact CD-CZ 3.55Å; K240-F283 VanDerWaalsContact CD-O 3.23Å; K240-F283 WeakPolarHBondContact CD-O 3.43Å; K240-F283 WeakPolarHBondContact CE-O 3.34Å; K240-F283 HydrophobicContact CG-CZ 4.28Å; K240-F283 PolarHBondContact NZ-O 3.43Å; K240-T286 PolarHBondContact NZ-O 3.04Å; K240-D287 IonicContact NZ-OD1 2.95Å; K240-D287 PolarHBondContact NZ-OD1 2.77Å; K240-H468 WeakPolarHBondContact O-CA 3.28Å; K240-Q469 HydrophobicContact CB-CB 4.36Å; K240-Q469 PolarHBondContact N-O 3.03Å; K240-Q469 PolarHBondContact O-N 3.43Å; K240-Q469 PolarHBondContact O-OE1 3.33Å
241	T	97.9	Very high	94.9	Very high	94 Å²	94	39.6 Å²	39.6	58%	0.577	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	100.3	168.5	-58.9	0	0	0	0	107.3	H468	T241-H468 WeakPolarHBondContact CG2-CE1 3.35Å; T241-H468 WeakPolarHBondContact CG2-ND1 3.3Å; T241-H468 PolarHBondContact OG1-CE1 2.9Å; T241-H468 PolarHBondContact OG1-ND1 2.86Å
242	S	96.3	Very high	95.6	Very high	21 Å²	21	36.8 Å²	36.8	15%	0.147	22%	0.217	C	C	.	.			trans	-162.6	156	-177.1	68.9	0	0	0	0	112.3	K240 Y264 G467 Q469	K240-S242 VanDerWaalsContact CD-OG 3.25Å; K240-S242 WeakPolarHBondContact CD-OG 3.4Å; K240-S242 WeakPolarHBondContact CE-OG 3.32Å; S242-Y264 PolarHBondContact O-OH 3.35Å; S242-Y264 PolarHBondContact OG-OH 2.96Å; S242-G467 PolarHBondContact N-O 2.88Å; S242-Q469 PolarHBondContact O-NE2 2.91Å; S242-Q469 PolarHBondContact OG-OE1 2.84Å
243	G	96.6	Very high	96.2	Very high	44 Å²	44	36.3 Å²	36.3	45%	0.454	21%	0.21	S	C	.	.	S	Bend	trans	90.3	-173.9	176.8	0	0	0	0	0	114.6	Y264 D266	G243-Y264 WeakPolarHBondContact CA-OH 3.3Å; G243-Y264 PolarHBondContact N-OH 2.84Å; G243-D266 WeakPolarHBondContact CA-OD2 3.26Å
244	S	96.9	Very high	96.1	Very high	50 Å²	50	36.5 Å²	36.5	35%	0.35	21%	0.214	S	C	.	.	S	Bend	trans	-75.9	-177.7	173.9	76.7	0	0	0	0	111.7	F246 D266 W464 G467	S244-F246 PolarHBondContact O-N 2.88Å; S244-F246 VanDerWaalsContact O-N 3.16Å; S244-F246 PolarHBondContact OG-N 2.91Å; S244-F246 PolarHBondContact OG-O 3.33Å; S244-D266 WeakPolarHBondContact CB-OD1 3.21Å; S244-D266 PolarHBondContact N-OD1 3.13Å; S244-D266 PolarHBondContact N-OD2 2.91Å; S244-D266 PolarHBondContact OG-OD1 3.47Å; S244-W464 VanDerWaalsContact O-CZ2 3.31Å; S244-W464 WeakPolarHBondContact O-CZ2 3.28Å; S244-W464 PolarHBondContact O-NE1 3.31Å; S244-G467 VanDerWaalsContact O-CA 3.24Å; S244-G467 WeakPolarHBondContact O-CA 3.44Å
245	R	97.7	Very high	96.3	Very high	126 Å²	126	34.6 Å²	34.6	48%	0.475	20%	0.202	S	C	.	.	S	Bend	trans	-58.8	-28	178.3	-177.9	166.7	-172.4	-160.9	-0.2	113.5	H448 W464 N466	R245-H448 PolarHBondContact NH2-CD2 3.06Å; R245-W464 PolarHBondContact O-NE1 3.36Å; R245-W464 VanDerWaalsContact O-NE1 3.15Å; R245-N466 WeakPolarHBondContact CG-OD1 3.45Å; R245-N466 PolarHBondContact NE-OD1 2.8Å
246	F	98.3	Very high	95.9	Very high	42 Å²	42	33.1 Å²	33.1	18%	0.184	20%	0.199	C	C	.	.	S	Bend	trans	-128.9	150	-172.3	-41.7	-78.6	0	0	0	110.3	S244 G267 Y268 W349 H448 W464	S244-F246 PolarHBondContact O-N 2.88Å; S244-F246 VanDerWaalsContact O-N 3.16Å; S244-F246 PolarHBondContact OG-N 2.91Å; S244-F246 PolarHBondContact OG-O 3.33Å; F246-G267 VanDerWaalsContact O-CA 3.23Å; F246-G267 WeakPolarHBondContact O-CA 3.43Å; F246-G267 PolarHBondContact O-N 2.89Å; F246-Y268 HydrophobicContact CB-CD1 3.83Å; F246-Y268 AromaticContact CD2-CD1 3.67Å; F246-Y268 HydrophobicContact CD2-CD1 3.67Å; F246-Y268 AromaticContact CD2-CE1 3.55Å; F246-Y268 HydrophobicContact CD2-CE1 3.55Å; F246-Y268 HydrophobicContact CE2-CD1 4.39Å; F246-Y268 AromaticContact CE2-CE1 3.84Å; F246-Y268 HydrophobicContact CE2-CE1 3.84Å; F246-Y268 AromaticContact CG-CD1 3.82Å; F246-Y268 HydrophobicContact CG-CD1 3.82Å; F246-Y268 HydrophobicContact CG-CE1 4.11Å; F246-W349 HydrophobicContact CD1-CE3 4.18Å; F246-W349 HydrophobicContact CD1-CZ3 4.01Å; F246-W349 HydrophobicContact CE1-CE3 4.33Å; F246-W349 HydrophobicContact CE1-CZ3 4.48Å; F246-W349 HydrophobicContact CG-CZ3 4.47Å; F246-H448 AromaticContact CD1-CE1 3.86Å; F246-H448 AromaticContact CE1-CE1 3.44Å; F246-H448 VanDerWaalsContact CE1-CE1 3.44Å; F246-H448 WeakPolarHBondContact CE1-CE1 3.09Å; F246-H448 AromaticContact CE1-NE2 3.86Å; F246-W464 VanDerWaalsContact C-CE2 3.48Å
247	G	98.4	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-172.5	177.1	0	0	0	0	0	110.3	M265 T301 M451 W464	G247-M265 CarbonylContact C-O 3.57Å; G247-M265 WeakPolarHBondContact CA-O 3.42Å; G247-T301 WeakPolarHBondContact O-CG2 3.38Å; G247-M451 WeakPolarHBondContact O-CB 3.23Å; G247-W464 VanDerWaalsContact C-CD2 3.49Å; G247-W464 WeakPolarHBondContact O-CB 3.43Å
248	S	98.6	Very high	94.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.8	174.9	61.4	0	0	0	0	110	M265 T301 Q303	S248-M265 PolarHBondContact N-O 3.22Å; S248-M265 PolarHBondContact O-N 2.94Å; S248-T301 VanDerWaalsContact CB-O 3.24Å; S248-T301 WeakPolarHBondContact CB-O 3.48Å; S248-Q303 PolarHBondContact OG-OE1 2.98Å
249	W	98.8	Very high	93.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.5	176.4	74.2	-65.2	0	0	0	109.2	I239 V262 W263 Y264 M280 F283 M451 Y462 A463 Q469 L471	I239-W249 HydrophobicContact CB-CH2 4.07Å; I239-W249 HydrophobicContact CG1-CH2 3.82Å; I239-W249 HydrophobicContact CG1-CZ2 4.32Å; I239-W249 HydrophobicContact CG2-CH2 4.12Å; I239-W249 HydrophobicContact CG2-CZ3 4.21Å; W249-V262 HydrophobicContact CE3-CG1 3.86Å; W249-V262 HydrophobicContact CZ3-CG1 4.39Å; W249-W263 CarbonylContact C-O 3.55Å; W249-W263 WeakPolarHBondContact CA-O 3.16Å; W249-Y264 HydrophobicContact CB-CD2 4.2Å; W249-M280 HydrophobicContact CH2-CE 4.44Å; W249-M280 HydrophobicContact CZ3-CE 3.95Å; W249-M280 HydrophobicContact CZ3-SD 4.06Å; W249-F283 HydrophobicContact CD2-CE1 4.38Å; W249-F283 HydrophobicContact CE3-CD1 4.33Å; W249-F283 AromaticContact CE3-CE1 3.63Å; W249-F283 HydrophobicContact CE3-CE1 3.63Å; W249-F283 HydrophobicContact CE3-CZ 4.08Å; W249-F283 HydrophobicContact CZ3-CD1 4.23Å; W249-F283 AromaticContact CZ3-CE1 3.77Å; W249-F283 HydrophobicContact CZ3-CE1 3.77Å; W249-M451 WeakPolarHBondContact O-CE 3.48Å; W249-Y462 AromaticContact CD2-CD1 3.81Å; W249-Y462 HydrophobicContact CD2-CD1 3.81Å; W249-Y462 HydrophobicContact CD2-CE1 4.44Å; W249-Y462 AromaticContact CE2-CD1 3.65Å; W249-Y462 AromaticContact CE3-CD1 3.79Å; W249-Y462 HydrophobicContact CE3-CD1 3.79Å; W249-Y462 AromaticContact CE3-CE1 3.96Å; W249-Y462 HydrophobicContact CE3-CE1 3.96Å; W249-Y462 AromaticContact CH2-CD1 3.48Å; W249-Y462 HydrophobicContact CH2-CD1 3.48Å; W249-Y462 VanDerWaalsContact CH2-CD1 3.48Å; W249-Y462 AromaticContact CH2-CE1 3.53Å; W249-Y462 HydrophobicContact CH2-CE1 3.53Å; W249-Y462 HydrophobicContact CH2-CG 4.47Å; W249-Y462 AromaticContact CZ2-CD1 3.5Å; W249-Y462 HydrophobicContact CZ2-CD1 3.5Å; W249-Y462 VanDerWaalsContact CZ2-CD1 3.5Å; W249-Y462 HydrophobicContact CZ2-CE1 4.07Å; W249-Y462 HydrophobicContact CZ2-CG 4.21Å; W249-Y462 AromaticContact CZ3-CD1 3.65Å; W249-Y462 HydrophobicContact CZ3-CD1 3.65Å; W249-Y462 AromaticContact CZ3-CE1 3.5Å; W249-Y462 HydrophobicContact CZ3-CE1 3.5Å; W249-Y462 VanDerWaalsContact CZ3-CE1 3.5Å; W249-A463 PolarHBondContact NE1-O 3.03Å; W249-Q469 HydrophobicContact CB-CG 4.23Å; W249-Q469 HydrophobicContact CD2-CB 3.78Å; W249-Q469 HydrophobicContact CD2-CG 3.9Å; W249-Q469 HydrophobicContact CE3-CB 4.39Å; W249-Q469 HydrophobicContact CG-CB 4.03Å; W249-Q469 HydrophobicContact CG-CG 3.61Å; W249-Q469 HydrophobicContact CZ2-CB 4.04Å; W249-L471 HydrophobicContact CH2-CD1 4.16Å; W249-L471 HydrophobicContact CH2-CD2 3.72Å; W249-L471 HydrophobicContact CH2-CG 3.71Å; W249-L471 HydrophobicContact CZ2-CD2 3.78Å; W249-L471 HydrophobicContact CZ2-CG 3.91Å
250	M	98.6	Very high	93.7	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.049	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	164.1	-170.7	61	-153.9	58.9	0	0	111.3	W263 M265 Q303 V304 V305 M451	M250-W263 HydrophobicContact CG-CB 4.16Å; M250-W263 PolarHBondContact N-O 2.84Å; M250-W263 PolarHBondContact O-N 2.87Å; M250-M265 HydrophobicContact CE-CE 3.62Å; M250-M265 HydrophobicContact CE-SD 4.47Å; M250-M265 HydrophobicContact CG-CE 4.32Å; M250-M265 HydrophobicContact SD-CE 4.01Å; M250-Q303 HydrophobicContact CE-CB 4.47Å; M250-Q303 WeakPolarHBondContact CE-O 3.26Å; M250-V304 WeakPolarHBondContact SD-CA 3.48Å; M250-V305 HydrophobicContact CG-CB 4.33Å; M250-V305 HydrophobicContact CG-CG2 4.12Å; M250-V305 HydrophobicContact SD-CB 4.25Å; M250-V305 HydrophobicContact SD-CG2 3.88Å; M250-V305 PolarHBondContact SD-N 2.9Å; M250-M451 HydrophobicContact CE-CE 4.43Å
251	T	98.3	Very high	93.8	Very high	16 Å²	16	43.7 Å²	43.7	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	161.5	163.9	60.3	0	0	0	0	108.5	P253 V262 M280 N455 D458 Y462	T251-P253 WeakPolarHBondContact O-CD 3.24Å; T251-V262 HydrophobicContact CG2-CG2 4.05Å; T251-M280 HydrophobicContact CG2-CE 4.16Å; T251-N455 PolarHBondContact O-ND2 2.65Å; T251-N455 PolarHBondContact OG1-ND2 3.09Å; T251-D458 PolarHBondContact OG1-OD2 3.48Å; T251-Y462 HydrophobicContact CG2-CE1 4.19Å; T251-Y462 PolarHBondContact OG1-OH 3.37Å
252	D	97.9	Very high	93.8	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.059	23%	0.233	C	C	.	.			trans	-84.6	113.6	177.7	-178.4	-8.2	0	0	0	110.2	A254 A255 V305 Y306 N307 G308	D252-A254 PolarHBondContact O-N 2.96Å; D252-A254 WeakPolarHBondContact OD1-CA 3.41Å; D252-A254 PolarHBondContact OD1-N 2.97Å; D252-A255 HydrophobicContact CB-CB 4.1Å; D252-A255 VanDerWaalsContact O-CB 3.3Å; D252-A255 WeakPolarHBondContact O-CB 3.48Å; D252-A255 PolarHBondContact O-N 2.84Å; D252-A255 VanDerWaalsContact O-N 3.13Å; D252-V305 HydrophobicContact CB-CG1 3.9Å; D252-Y306 WeakPolarHBondContact OD1-CA 3.27Å; D252-N307 VanDerWaalsContact CG-N 3.29Å; D252-N307 PolarHBondContact OD1-N 2.79Å; D252-N307 WeakPolarHBondContact OD2-CA 3.38Å; D252-N307 PolarHBondContact OD2-N 3.44Å; D252-G308 PolarHBondContact OD2-N 2.83Å
253	P	93.6	Very high	93.9	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.065	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.8	-179.1	27.2	-33.7	0	0	0	113.1	T251 V305 Y306 V359 P456 R457	T251-P253 WeakPolarHBondContact O-CD 3.24Å; P253-V305 WeakPolarHBondContact CD-O 3.35Å; P253-Y306 HydrophobicContact CG-CD2 3.93Å; P253-Y306 HydrophobicContact CG-CE2 4.32Å; P253-V359 HydrophobicContact CG-CB 4.4Å; P253-V359 HydrophobicContact CG-CG1 3.82Å; P253-P456 HydrophobicContact CB-CG 3.79Å; P253-P456 HydrophobicContact CG-CG 4.28Å; P253-R457 HydrophobicContact CB-CB 4.08Å; P253-R457 VanDerWaalsContact O-CZ 3.27Å; P253-R457 PolarHBondContact O-NE 2.91Å; P253-R457 PolarHBondContact O-NH2 2.8Å
254	A	92.1	Very high	94	Very high	24 Å²	24	36.5 Å²	36.5	20%	0.198	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	8.2	177.1	0	0	0	0	0	113.5	D252 Y306 N307	D252-A254 PolarHBondContact O-N 2.96Å; D252-A254 WeakPolarHBondContact OD1-CA 3.41Å; D252-A254 PolarHBondContact OD1-N 2.97Å; A254-Y306 HydrophobicContact CB-CD2 4.07Å; A254-Y306 HydrophobicContact CB-CE2 3.81Å; A254-N307 HydrophobicContact CB-CB 3.94Å
255	A	90.6	Very high	94.1	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.033	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-59.9	146.3	-179.7	0	0	0	0	0	113.3	D252 D259 R457	D252-A255 HydrophobicContact CB-CB 4.1Å; D252-A255 VanDerWaalsContact O-CB 3.3Å; D252-A255 WeakPolarHBondContact O-CB 3.48Å; D252-A255 PolarHBondContact O-N 2.84Å; D252-A255 VanDerWaalsContact O-N 3.13Å; A255-D259 HydrophobicContact CB-CB 3.92Å; A255-R457 PolarHBondContact O-NH1 3.39Å; A255-R457 PolarHBondContact O-NH2 2.89Å
256	P	83.8	Confident	94.2	Very high	89 Å²	89	29.6 Å²	29.6	58%	0.578	17%	0.174	S	C	*	.	P	Polyproline II helix	trans	-56.9	164.3	172.4	-25.1	35.2	0	0	0	113.3	G258 D259	P256-G258 PolarHBondContact O-N 2.59Å; P256-D259 WeakPolarHBondContact O-CB 3.38Å; P256-D259 PolarHBondContact O-N 2.92Å
257	E	77.3	Confident	94.1	Very high	127 Å²	127	28.2 Å²	28.2	59%	0.593	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	137.1	174.4	-167.9	168.2	170.7	0	0	110.6	D259	E257-D259 VanDerWaalsContact C-N 3.26Å; E257-D259 PolarHBondContact O-N 2.84Å
258	G	79.6	Confident	94.1	Very high	70 Å²	70	31.4 Å²	31.4	72%	0.722	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.4	-16.9	-174.9	0	0	0	0	0	115	P256 T260	P256-G258 PolarHBondContact O-N 2.59Å; G258-T260 PolarHBondContact O-N 3.45Å
259	D	88.5	Confident	93.9	Very high	37 Å²	37	35.6 Å²	35.6	20%	0.198	20%	0.204	C	C	.	.			trans	-80.3	110.3	173	-171.7	-9.6	0	0	0	110.5	A255 P256 E257 R261	A255-D259 HydrophobicContact CB-CB 3.92Å; P256-D259 WeakPolarHBondContact O-CB 3.38Å; P256-D259 PolarHBondContact O-N 2.92Å; E257-D259 VanDerWaalsContact C-N 3.26Å; E257-D259 PolarHBondContact O-N 2.84Å; D259-R261 VanDerWaalsContact CG-NE 3.28Å; D259-R261 WeakPolarHBondContact OD1-CB 3.48Å; D259-R261 WeakPolarHBondContact OD1-CG 3.44Å; D259-R261 IonicContact OD1-CZ 2.82Å; D259-R261 PolarHBondContact OD1-N 3.35Å; D259-R261 IonicContact OD1-NE 3.28Å; D259-R261 PolarHBondContact OD1-NE 3.34Å; D259-R261 IonicContact OD1-NH2 2.85Å; D259-R261 IonicContact OD2-CZ 3.11Å; D259-R261 VanDerWaalsContact OD2-CZ 3.24Å; D259-R261 IonicContact OD2-NE 2.75Å; D259-R261 PolarHBondContact OD2-NE 3.3Å; D259-R261 IonicContact OD2-NH2 2.59Å; D259-R261 PolarHBondContact OD2-NH2 2.83Å
260	T	92.4	Very high	93.5	Very high	64 Å²	64	39.4 Å²	39.4	39%	0.393	22%	0.224	S	C	.	.			trans	-122.2	24.1	-176.6	56.4	0	0	0	0	112.1	G258 S279 M280	G258-T260 PolarHBondContact O-N 3.45Å; T260-S279 CarbonylContact O-C 3.57Å; T260-S279 WeakPolarHBondContact O-CA 3.49Å; T260-S279 WeakPolarHBondContact OG1-CB 3.29Å; T260-M280 PolarHBondContact O-N 2.82Å
261	R	97.4	Very high	93.4	Very high	79 Å²	79	40.8 Å²	40.8	30%	0.298	23%	0.232	S	C	.	.			trans	-62	142.6	-176.6	-70.4	178.9	-76	172.4	1.2	112.2	D259 E276 Y277 K278	D259-R261 VanDerWaalsContact CG-NE 3.28Å; D259-R261 WeakPolarHBondContact OD1-CB 3.48Å; D259-R261 WeakPolarHBondContact OD1-CG 3.44Å; D259-R261 IonicContact OD1-CZ 2.82Å; D259-R261 PolarHBondContact OD1-N 3.35Å; D259-R261 IonicContact OD1-NE 3.28Å; D259-R261 PolarHBondContact OD1-NE 3.34Å; D259-R261 IonicContact OD1-NH2 2.85Å; D259-R261 IonicContact OD2-CZ 3.11Å; D259-R261 VanDerWaalsContact OD2-CZ 3.24Å; D259-R261 IonicContact OD2-NE 2.75Å; D259-R261 PolarHBondContact OD2-NE 3.3Å; D259-R261 IonicContact OD2-NH2 2.59Å; D259-R261 PolarHBondContact OD2-NH2 2.83Å; R261-E276 WeakPolarHBondContact CD-OE1 3.46Å; R261-E276 IonicContact CZ-OE1 3.99Å; R261-E276 IonicContact NE-OE1 3.79Å; R261-E276 IonicContact NH1-OE1 2.89Å; R261-E276 PolarHBondContact NH1-OE1 2.72Å; R261-Y277 VanDerWaalsContact CA-O 3.26Å; R261-Y277 WeakPolarHBondContact CA-O 3.42Å; R261-K278 WeakPolarHBondContact CG-O 3.25Å
262	V	98.6	Very high	93.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.2	177.4	-177.2	0	0	0	0	109.1	W249 T251 Y277 M280 F283	W249-V262 HydrophobicContact CE3-CG1 3.86Å; W249-V262 HydrophobicContact CZ3-CG1 4.39Å; T251-V262 HydrophobicContact CG2-CG2 4.05Å; V262-Y277 PolarHBondContact N-O 2.93Å; V262-Y277 PolarHBondContact O-N 2.63Å; V262-M280 HydrophobicContact CG2-CB 4.42Å; V262-M280 HydrophobicContact CG2-CE 4.06Å; V262-M280 HydrophobicContact CG2-SD 4.08Å; V262-F283 HydrophobicContact CB-CB 4.24Å; V262-F283 HydrophobicContact CB-CG 4.28Å; V262-F283 HydrophobicContact CG1-CB 4.49Å; V262-F283 HydrophobicContact CG1-CD1 4.11Å; V262-F283 HydrophobicContact CG1-CD2 4.15Å; V262-F283 HydrophobicContact CG1-CE1 4.39Å; V262-F283 HydrophobicContact CG1-CE2 4.42Å; V262-F283 HydrophobicContact CG1-CG 3.99Å; V262-F283 HydrophobicContact CG2-CB 4.09Å; V262-F283 HydrophobicContact CG2-CG 4.39Å
263	W	98.8	Very high	93.4	Very high	6 Å²	6	47.3 Å²	47.3	2%	0.023	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.2	176.4	-58.5	92.3	0	0	0	109.7	W249 M250 M265 V274 R275 E276 H292 V305 F325	W249-W263 CarbonylContact C-O 3.55Å; W249-W263 WeakPolarHBondContact CA-O 3.16Å; M250-W263 HydrophobicContact CG-CB 4.16Å; M250-W263 PolarHBondContact N-O 2.84Å; M250-W263 PolarHBondContact O-N 2.87Å; W263-M265 HydrophobicContact CB-CE 4.27Å; W263-V274 HydrophobicContact CB-CG1 4.5Å; W263-V274 HydrophobicContact CE3-CG1 3.75Å; W263-V274 HydrophobicContact CZ3-CG1 4.47Å; W263-R275 CarbonylContact C-O 3.54Å; W263-R275 WeakPolarHBondContact CA-O 3.37Å; W263-E276 HydrophobicContact CE3-CB 4.01Å; W263-E276 HydrophobicContact CE3-CG 4.37Å; W263-E276 HydrophobicContact CH2-CB 4.19Å; W263-E276 HydrophobicContact CH2-CG 3.94Å; W263-E276 HydrophobicContact CZ2-CG 4.26Å; W263-E276 HydrophobicContact CZ3-CB 3.74Å; W263-E276 HydrophobicContact CZ3-CG 4Å; W263-H292 AromaticContact CZ3-CD2 3.59Å; W263-H292 AromaticContact CZ3-NE2 3.75Å; W263-V305 HydrophobicContact CB-CG2 3.87Å; W263-V305 HydrophobicContact CD2-CG2 4.15Å; W263-V305 HydrophobicContact CG-CB 4.32Å; W263-V305 HydrophobicContact CG-CG1 4.4Å; W263-V305 HydrophobicContact CG-CG2 3.66Å; W263-F325 AromaticContact CD2-CE2 3.96Å; W263-F325 HydrophobicContact CD2-CE2 3.96Å; W263-F325 HydrophobicContact CD2-CZ 4.09Å; W263-F325 HydrophobicContact CE3-CD1 4.41Å; W263-F325 HydrophobicContact CE3-CD2 4.33Å; W263-F325 AromaticContact CE3-CE1 3.84Å; W263-F325 HydrophobicContact CE3-CE1 3.84Å; W263-F325 AromaticContact CE3-CE2 3.72Å; W263-F325 HydrophobicContact CE3-CE2 3.72Å; W263-F325 AromaticContact CE3-CZ 3.44Å; W263-F325 HydrophobicContact CE3-CZ 3.44Å; W263-F325 VanDerWaalsContact CE3-CZ 3.44Å; W263-F325 HydrophobicContact CH2-CB 3.9Å; W263-F325 AromaticContact CH2-CD1 3.64Å; W263-F325 HydrophobicContact CH2-CD1 3.64Å; W263-F325 AromaticContact CH2-CD2 3.35Å; W263-F325 HydrophobicContact CH2-CD2 3.35Å; W263-F325 AromaticContact CH2-CE1 3.92Å; W263-F325 HydrophobicContact CH2-CE1 3.92Å; W263-F325 AromaticContact CH2-CE2 3.62Å; W263-F325 HydrophobicContact CH2-CE2 3.62Å; W263-F325 AromaticContact CH2-CG 3.35Å; W263-F325 HydrophobicContact CH2-CG 3.35Å; W263-F325 AromaticContact CH2-CZ 3.89Å; W263-F325 HydrophobicContact CH2-CZ 3.89Å; W263-F325 AromaticContact CZ2-CD2 3.65Å; W263-F325 HydrophobicContact CZ2-CD2 3.65Å; W263-F325 AromaticContact CZ2-CE2 3.86Å; W263-F325 HydrophobicContact CZ2-CE2 3.86Å; W263-F325 HydrophobicContact CZ2-CG 4.1Å; W263-F325 HydrophobicContact CZ2-CZ 4.47Å; W263-F325 AromaticContact CZ3-CD1 3.46Å; W263-F325 HydrophobicContact CZ3-CD1 3.46Å; W263-F325 VanDerWaalsContact CZ3-CD1 3.46Å; W263-F325 AromaticContact CZ3-CD2 3.73Å; W263-F325 HydrophobicContact CZ3-CD2 3.73Å; W263-F325 AromaticContact CZ3-CE1 3.29Å; W263-F325 HydrophobicContact CZ3-CE1 3.29Å; W263-F325 AromaticContact CZ3-CE2 3.54Å; W263-F325 HydrophobicContact CZ3-CE2 3.54Å; W263-F325 AromaticContact CZ3-CG 3.68Å; W263-F325 HydrophobicContact CZ3-CG 3.68Å; W263-F325 AromaticContact CZ3-CZ 3.32Å; W263-F325 HydrophobicContact CZ3-CZ 3.32Å
264	Y	98.8	Very high	93.6	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.5	-171.2	173.1	-78.5	0	0	0	110.9	S242 G243 W249 D266 R275 Y277 F283 W464 Q469	S242-Y264 PolarHBondContact O-OH 3.35Å; S242-Y264 PolarHBondContact OG-OH 2.96Å; G243-Y264 WeakPolarHBondContact CA-OH 3.3Å; G243-Y264 PolarHBondContact N-OH 2.84Å; W249-Y264 HydrophobicContact CB-CD2 4.2Å; Y264-D266 HydrophobicContact CE1-CB 3.83Å; Y264-R275 HydrophobicContact CD1-CB 4.13Å; Y264-R275 HydrophobicContact CD1-CG 4.14Å; Y264-R275 PolarHBondContact N-O 3.05Å; Y264-R275 PolarHBondContact O-N 2.61Å; Y264-Y277 HydrophobicContact CG-CE2 4.27Å; Y264-F283 AromaticContact CD2-CE2 3.78Å; Y264-F283 HydrophobicContact CD2-CE2 3.78Å; Y264-F283 HydrophobicContact CD2-CZ 4.08Å; Y264-F283 HydrophobicContact CE2-CE2 4.35Å; Y264-F283 HydrophobicContact CG-CE2 4.5Å; Y264-W464 HydrophobicContact CD2-CH2 4.36Å; Y264-W464 AromaticContact CD2-CZ3 3.84Å; Y264-W464 HydrophobicContact CD2-CZ3 3.84Å; Y264-W464 HydrophobicContact CE1-CH2 4.17Å; Y264-W464 HydrophobicContact CE1-CZ3 4.47Å; Y264-W464 HydrophobicContact CE2-CE3 4.47Å; Y264-W464 AromaticContact CE2-CH2 3.47Å; Y264-W464 HydrophobicContact CE2-CH2 3.47Å; Y264-W464 VanDerWaalsContact CE2-CH2 3.47Å; Y264-W464 AromaticContact CE2-CZ3 3.33Å; Y264-W464 HydrophobicContact CE2-CZ3 3.33Å; Y264-W464 AromaticContact CZ-CH2 3.35Å; Y264-W464 AromaticContact CZ-CZ3 3.69Å; Y264-W464 WeakPolarHBondContact OH-CH2 3.25Å; Y264-Q469 HydrophobicContact CE2-CG 4.32Å
265	M	98.7	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	106.4	-176.9	-70.3	129.7	-65.9	0	0	109.4	G247 S248 M250 W263 V274 W298 Q303 I310	G247-M265 CarbonylContact C-O 3.57Å; G247-M265 WeakPolarHBondContact CA-O 3.42Å; S248-M265 PolarHBondContact N-O 3.22Å; S248-M265 PolarHBondContact O-N 2.94Å; M250-M265 HydrophobicContact CE-CE 3.62Å; M250-M265 HydrophobicContact CE-SD 4.47Å; M250-M265 HydrophobicContact CG-CE 4.32Å; M250-M265 HydrophobicContact SD-CE 4.01Å; W263-M265 HydrophobicContact CB-CE 4.27Å; M265-V274 HydrophobicContact CG-CB 4.36Å; M265-V274 HydrophobicContact CG-CG1 4.03Å; M265-V274 HydrophobicContact CG-CG2 3.89Å; M265-V274 HydrophobicContact SD-CG1 4.32Å; M265-V274 HydrophobicContact SD-CG2 4.48Å; M265-W298 HydrophobicContact CB-CH2 3.94Å; M265-W298 HydrophobicContact CB-CZ2 3.74Å; M265-W298 HydrophobicContact CG-CH2 4.04Å; M265-W298 HydrophobicContact CG-CZ2 4.28Å; M265-W298 HydrophobicContact CG-CZ3 4.31Å; M265-Q303 HydrophobicContact SD-CB 3.85Å; M265-Q303 HydrophobicContact SD-CG 4.02Å; M265-I310 HydrophobicContact SD-CD1 3.63Å
266	D	98.5	Very high	94.3	Very high	31 Å²	31	50.5 Å²	50.5	17%	0.166	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.6	-179.4	-164.5	0.1	0	0	0	111.6	G243 S244 Y264 N271 W298 W464	G243-D266 WeakPolarHBondContact CA-OD2 3.26Å; S244-D266 WeakPolarHBondContact CB-OD1 3.21Å; S244-D266 PolarHBondContact N-OD1 3.13Å; S244-D266 PolarHBondContact N-OD2 2.91Å; S244-D266 PolarHBondContact OG-OD1 3.47Å; Y264-D266 HydrophobicContact CE1-CB 3.83Å; D266-N271 PolarHBondContact O-ND2 2.65Å; D266-W298 WeakPolarHBondContact O-CZ2 3.47Å; D266-W464 HydrophobicContact CB-CH2 4.48Å
267	G	97.9	Very high	95	Very high	13 Å²	13	46.3 Å²	46.3	13%	0.134	24%	0.235	C	C	.	.			trans	77.4	166	179.8	0	0	0	0	0	114	F246 W298	F246-G267 VanDerWaalsContact O-CA 3.23Å; F246-G267 WeakPolarHBondContact O-CA 3.43Å; F246-G267 PolarHBondContact O-N 2.89Å; G267-W298 PolarHBondContact O-NE1 2.9Å
268	Y	97.5	Very high	95.9	Very high	67 Å²	67	48.4 Å²	48.4	26%	0.263	24%	0.242	S	C	.	.	S	Bend	trans	-109.6	-3.3	-178.5	67.9	-97.6	0	0	0	113.7	F246 S299 G300 W349 G351	F246-Y268 HydrophobicContact CB-CD1 3.83Å; F246-Y268 AromaticContact CD2-CD1 3.67Å; F246-Y268 HydrophobicContact CD2-CD1 3.67Å; F246-Y268 AromaticContact CD2-CE1 3.55Å; F246-Y268 HydrophobicContact CD2-CE1 3.55Å; F246-Y268 HydrophobicContact CE2-CD1 4.39Å; F246-Y268 AromaticContact CE2-CE1 3.84Å; F246-Y268 HydrophobicContact CE2-CE1 3.84Å; F246-Y268 AromaticContact CG-CD1 3.82Å; F246-Y268 HydrophobicContact CG-CD1 3.82Å; F246-Y268 HydrophobicContact CG-CE1 4.11Å; Y268-S299 CarbonylContact O-C 3.58Å; Y268-G300 WeakPolarHBondContact CA-O 3.44Å; Y268-G300 PolarHBondContact O-N 3.02Å; Y268-W349 HydrophobicContact CD1-CZ3 4.25Å; Y268-W349 HydrophobicContact CG-CZ3 4.46Å; Y268-G351 WeakPolarHBondContact CB-O 3.5Å; Y268-G351 VanDerWaalsContact CD2-CA 3.45Å; Y268-G351 WeakPolarHBondContact CD2-O 3.37Å
269	H	94.5	Very high	96.6	Very high	88 Å²	88	46 Å²	46	41%	0.407	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-139.1	120.8	-164.2	-177.5	-82.2	0	0	0	112.8	N271 F315 H352	H269-N271 PolarHBondContact O-N 3.12Å; H269-F315 AromaticContact CD2-CE2 3.51Å; H269-F315 AromaticContact CD2-CZ 3.92Å; H269-F315 AromaticContact CE1-CZ 3.85Å; H269-F315 AromaticContact NE2-CE2 3.51Å; H269-F315 AromaticContact NE2-CZ 3.38Å; H269-F315 WeakPolarHBondContact NE2-CZ 3.31Å; H269-H352 AromaticContact CD2-CE1 3.62Å; H269-H352 AromaticContact CD2-NE2 3.95Å
270	N	90.3	Very high	96.8	Very high	81 Å²	81	45.7 Å²	45.7	43%	0.433	21%	0.212	S	C	.	.	S	Bend	trans	55.7	17.3	171	-164.3	28.9	0	0	0	115.5	P297 F315	N270-P297 WeakPolarHBondContact OD1-CG 3.44Å; N270-F315 HydrophobicContact CB-CZ 4.45Å
271	N	95.9	Very high	96.9	Very high	38 Å²	38	45.5 Å²	45.5	20%	0.203	22%	0.217	C	C	.	.			trans	-88.9	150.3	165.2	-170.2	10.1	0	0	0	109.5	D266 H269 F273 P297 W298	D266-N271 PolarHBondContact O-ND2 2.65Å; H269-N271 PolarHBondContact O-N 3.12Å; N271-F273 PolarHBondContact OD1-N 2.82Å; N271-P297 WeakPolarHBondContact O-CA 3.34Å; N271-P297 WeakPolarHBondContact O-CB 3.21Å; N271-W298 HydrophobicContact CB-CH2 3.76Å; N271-W298 HydrophobicContact CB-CZ2 3.53Å; N271-W298 HydrophobicContact CB-CZ3 4.46Å; N271-W298 VanDerWaalsContact CG-CH2 3.46Å; N271-W298 WeakPolarHBondContact ND2-CH2 3.26Å; N271-W298 WeakPolarHBondContact ND2-CZ2 3.31Å; N271-W298 PolarHBondContact O-N 3.01Å
272	R	98	Very high	96.8	Very high	72 Å²	72	44.1 Å²	44.1	27%	0.272	22%	0.216	S	C	.	.			trans	-141.2	13.9	-179	68.7	-173	74.1	141.5	7	112.8	R293 L294 P297	R272-R293 HydrophobicContact CG-CG 4.29Å; R272-R293 CarbonylContact O-C 3.56Å; R272-R293 WeakPolarHBondContact O-CA 3.46Å; R272-L294 HydrophobicContact CB-CB 4.34Å; R272-L294 PolarHBondContact O-N 2.76Å; R272-P297 HydrophobicContact CB-CB 4.44Å
273	F	98.5	Very high	96.8	Very high	93 Å²	93	44.1 Å²	44.1	41%	0.408	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.3	179.9	-67.4	-79.8	0	0	0	110.3	N271 S291 H292 R293 W298	N271-F273 PolarHBondContact OD1-N 2.82Å; F273-S291 WeakPolarHBondContact CD1-OG 3.41Å; F273-H292 WeakPolarHBondContact CA-O 3.24Å; F273-R293 HydrophobicContact CD1-CB 4.03Å; F273-R293 HydrophobicContact CD1-CG 4.2Å; F273-R293 HydrophobicContact CE1-CB 3.83Å; F273-R293 HydrophobicContact CE1-CG 3.74Å; F273-R293 HydrophobicContact CZ-CG 4.18Å; F273-W298 WeakPolarHBondContact O-CH2 3.37Å
274	V	98.8	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.6	174	-175.8	0	0	0	0	108.2	W263 M265 S291 H292 L294 W298 I310 F325	W263-V274 HydrophobicContact CB-CG1 4.5Å; W263-V274 HydrophobicContact CE3-CG1 3.75Å; W263-V274 HydrophobicContact CZ3-CG1 4.47Å; M265-V274 HydrophobicContact CG-CB 4.36Å; M265-V274 HydrophobicContact CG-CG1 4.03Å; M265-V274 HydrophobicContact CG-CG2 3.89Å; M265-V274 HydrophobicContact SD-CG1 4.32Å; M265-V274 HydrophobicContact SD-CG2 4.48Å; V274-S291 WeakPolarHBondContact O-CA 3.34Å; V274-H292 HydrophobicContact CB-CB 4.33Å; V274-H292 PolarHBondContact N-O 3.41Å; V274-H292 PolarHBondContact O-N 2.78Å; V274-L294 HydrophobicContact CG2-CD1 3.79Å; V274-L294 HydrophobicContact CG2-CD2 4.13Å; V274-L294 HydrophobicContact CG2-CG 3.9Å; V274-W298 HydrophobicContact CG2-CZ3 4.16Å; V274-I310 HydrophobicContact CG2-CD1 3.89Å; V274-F325 HydrophobicContact CB-CE1 4.44Å; V274-F325 HydrophobicContact CG1-CE1 4.37Å; V274-F325 HydrophobicContact CG1-CZ 4.2Å
275	R	98.8	Very high	96.4	Very high	74 Å²	74	52.5 Å²	52.5	28%	0.279	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.7	174.4	-57.6	-177.8	-170.5	170.8	4	109.5	W263 Y264 Y277 F289 T290	W263-R275 CarbonylContact C-O 3.54Å; W263-R275 WeakPolarHBondContact CA-O 3.37Å; Y264-R275 HydrophobicContact CD1-CB 4.13Å; Y264-R275 HydrophobicContact CD1-CG 4.14Å; Y264-R275 PolarHBondContact N-O 3.05Å; Y264-R275 PolarHBondContact O-N 2.61Å; R275-Y277 HydrophobicContact CB-CE2 4Å; R275-F289 HydrophobicContact CB-CB 4.13Å; R275-F289 HydrophobicContact CB-CD2 3.96Å; R275-F289 HydrophobicContact CB-CG 4.01Å; R275-F289 HydrophobicContact CG-CD2 3.7Å; R275-F289 HydrophobicContact CG-CE2 3.89Å; R275-F289 HydrophobicContact CG-CG 4.09Å; R275-F289 HydrophobicContact CG-CZ 4.41Å; R275-T290 CarbonylContact C-O 3.49Å; R275-T290 WeakPolarHBondContact CA-O 3.22Å
276	E	98.5	Very high	96.2	Very high	31 Å²	31	54.3 Å²	54.3	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.9	172.4	-179.8	-173.4	-173.6	0	0	108.4	R261 W263 F289 T290 H292	R261-E276 WeakPolarHBondContact CD-OE1 3.46Å; R261-E276 IonicContact CZ-OE1 3.99Å; R261-E276 IonicContact NE-OE1 3.79Å; R261-E276 IonicContact NH1-OE1 2.89Å; R261-E276 PolarHBondContact NH1-OE1 2.72Å; W263-E276 HydrophobicContact CE3-CB 4.01Å; W263-E276 HydrophobicContact CE3-CG 4.37Å; W263-E276 HydrophobicContact CH2-CB 4.19Å; W263-E276 HydrophobicContact CH2-CG 3.94Å; W263-E276 HydrophobicContact CZ2-CG 4.26Å; W263-E276 HydrophobicContact CZ3-CB 3.74Å; W263-E276 HydrophobicContact CZ3-CG 4Å; E276-F289 CarbonylContact O-C 3.48Å; E276-F289 VanDerWaalsContact O-CA 3.27Å; E276-F289 WeakPolarHBondContact O-CA 3.31Å; E276-F289 WeakPolarHBondContact O-CB 3.38Å; E276-T290 PolarHBondContact N-O 3.22Å; E276-T290 PolarHBondContact O-N 3.13Å; E276-H292 IonicContact OE2-CD2 3.73Å; E276-H292 IonicContact OE2-CE1 3.49Å; E276-H292 PolarHBondContact OE2-CE1 2.68Å; E276-H292 IonicContact OE2-NE2 2.66Å; E276-H292 PolarHBondContact OE2-NE2 3.33Å
277	Y	98.3	Very high	96	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	139.9	168.3	-62.3	-99.9	0	0	0	108.6	R261 V262 Y264 R275 S279 F283 N288 F289	R261-Y277 VanDerWaalsContact CA-O 3.26Å; R261-Y277 WeakPolarHBondContact CA-O 3.42Å; V262-Y277 PolarHBondContact N-O 2.93Å; V262-Y277 PolarHBondContact O-N 2.63Å; Y264-Y277 HydrophobicContact CG-CE2 4.27Å; R275-Y277 HydrophobicContact CB-CE2 4Å; Y277-S279 VanDerWaalsContact C-N 3.28Å; Y277-S279 PolarHBondContact O-N 3.38Å; Y277-F283 HydrophobicContact CD1-CB 4.25Å; Y277-F283 HydrophobicContact CD1-CD2 4.02Å; Y277-F283 AromaticContact CD2-CD2 3.51Å; Y277-F283 HydrophobicContact CD2-CD2 3.51Å; Y277-F283 HydrophobicContact CD2-CE2 4.16Å; Y277-F283 HydrophobicContact CD2-CG 4.44Å; Y277-F283 HydrophobicContact CE1-CD2 4.02Å; Y277-F283 AromaticContact CE2-CD2 3.51Å; Y277-F283 HydrophobicContact CE2-CD2 3.51Å; Y277-F283 AromaticContact CE2-CE2 3.8Å; Y277-F283 HydrophobicContact CE2-CE2 3.8Å; Y277-F283 HydrophobicContact CG-CB 4.04Å; Y277-F283 AromaticContact CG-CD2 3.76Å; Y277-F283 HydrophobicContact CG-CD2 3.76Å; Y277-F283 HydrophobicContact CG-CG 4.39Å; Y277-F283 AromaticContact CZ-CD2 3.77Å; Y277-N288 WeakPolarHBondContact CD1-O 3.49Å; Y277-F289 HydrophobicContact CD1-CB 4.03Å; Y277-F289 HydrophobicContact CD2-CB 4.3Å; Y277-F289 HydrophobicContact CE1-CB 3.9Å; Y277-F289 AromaticContact CE1-CD1 3.98Å; Y277-F289 HydrophobicContact CE1-CD1 3.98Å; Y277-F289 HydrophobicContact CE1-CG 4.42Å; Y277-F289 HydrophobicContact CE2-CB 4.17Å; Y277-F289 HydrophobicContact CG-CB 4.24Å; Y277-F289 AromaticContact CZ-CD1 3.85Å
278	K	96.1	Very high	95.9	Very high	170 Å²	170	63.9 Å²	63.9	74%	0.739	32%	0.323	S	S	*	.	S	Bend	trans	-62.8	-33.2	-174.5	179.5	-174.8	179.8	-173.8	0	113.1	R261 D282	R261-K278 WeakPolarHBondContact CG-O 3.25Å; K278-D282 WeakPolarHBondContact CB-OD2 3.48Å
279	S	94.4	Very high	95.9	Very high	21 Å²	21	64.6 Å²	64.6	15%	0.147	33%	0.328	C	S	.	.	S	Bend	trans	-152.8	166	-179.6	67.8	0	0	0	0	111.9	T260 Y277 A281 D282 F283	T260-S279 CarbonylContact O-C 3.57Å; T260-S279 WeakPolarHBondContact O-CA 3.49Å; T260-S279 WeakPolarHBondContact OG1-CB 3.29Å; Y277-S279 VanDerWaalsContact C-N 3.28Å; Y277-S279 PolarHBondContact O-N 3.38Å; S279-A281 VanDerWaalsContact C-N 3.26Å; S279-A281 PolarHBondContact O-N 2.8Å; S279-D282 PolarHBondContact O-N 3.07Å; S279-D282 PolarHBondContact OG-N 3.35Å; S279-D282 VanDerWaalsContact OG-N 3.1Å; S279-D282 PolarHBondContact OG-OD2 2.93Å; S279-F283 PolarHBondContact O-N 3.31Å
280	M	92.8	Very high	96.1	Very high	29 Å²	29	64.5 Å²	64.5	14%	0.143	33%	0.334	C	S	.	.	H	α-helix	trans	-58.4	-38.1	170.4	-172	63.9	73.5	0	0	112.1	I239 W249 T251 T260 V262 F283 M284 Y462	I239-M280 HydrophobicContact CG2-SD 3.73Å; W249-M280 HydrophobicContact CH2-CE 4.44Å; W249-M280 HydrophobicContact CZ3-CE 3.95Å; W249-M280 HydrophobicContact CZ3-SD 4.06Å; T251-M280 HydrophobicContact CG2-CE 4.16Å; T260-M280 PolarHBondContact O-N 2.82Å; V262-M280 HydrophobicContact CG2-CB 4.42Å; V262-M280 HydrophobicContact CG2-CE 4.06Å; V262-M280 HydrophobicContact CG2-SD 4.08Å; M280-F283 WeakPolarHBondContact O-CB 3.21Å; M280-F283 PolarHBondContact O-N 3.02Å; M280-F283 HydrophobicContact SD-CD1 4.13Å; M280-M284 HydrophobicContact CG-SD 4.31Å; M280-M284 VanDerWaalsContact O-CG 3.26Å; M280-M284 WeakPolarHBondContact O-CG 3.43Å; M280-M284 PolarHBondContact O-N 3.29Å; M280-Y462 HydrophobicContact CE-CE1 4.33Å
281	A	93.9	Very high	96.4	Very high	60 Å²	60	63.5 Å²	63.5	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-65.2	-43.8	178.4	0	0	0	0	0	111.8	S279 F283 M284 T285	S279-A281 VanDerWaalsContact C-N 3.26Å; S279-A281 PolarHBondContact O-N 2.8Å; A281-F283 VanDerWaalsContact C-N 3.33Å; A281-F283 PolarHBondContact O-N 3.36Å; A281-M284 PolarHBondContact O-N 2.7Å; A281-T285 PolarHBondContact O-N 3.41Å; A281-T285 PolarHBondContact O-OG1 3Å
282	D	95.8	Very high	96.5	Very high	50 Å²	50	63 Å²	63	27%	0.267	33%	0.329	S	S	.	.	H	α-helix	trans	-65.1	-39	176.5	-65.2	-38.1	0	0	0	111.1	K278 S279 T286	K278-D282 WeakPolarHBondContact CB-OD2 3.48Å; S279-D282 PolarHBondContact O-N 3.07Å; S279-D282 PolarHBondContact OG-N 3.35Å; S279-D282 VanDerWaalsContact OG-N 3.1Å; S279-D282 PolarHBondContact OG-OD2 2.93Å; D282-T286 WeakPolarHBondContact O-CA 3.17Å; D282-T286 WeakPolarHBondContact O-CB 3.37Å; D282-T286 PolarHBondContact O-N 3.15Å; D282-T286 PolarHBondContact O-OG1 2.95Å
283	F	97.6	Very high	96.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-46.9	174.1	178.4	-117	0	0	0	111.7	I239 K240 W249 V262 Y264 Y277 S279 M280 A281 Q469	I239-F283 HydrophobicContact CG2-CD1 3.77Å; I239-F283 HydrophobicContact CG2-CE1 3.79Å; K240-F283 HydrophobicContact CB-CD1 4.37Å; K240-F283 HydrophobicContact CB-CE1 3.72Å; K240-F283 HydrophobicContact CB-CE2 4.45Å; K240-F283 HydrophobicContact CB-CZ 3.76Å; K240-F283 HydrophobicContact CD-CD1 4.46Å; K240-F283 HydrophobicContact CD-CD2 3.76Å; K240-F283 HydrophobicContact CD-CE1 4.12Å; K240-F283 HydrophobicContact CD-CE2 3.36Å; K240-F283 HydrophobicContact CD-CG 4.29Å; K240-F283 HydrophobicContact CD-CZ 3.55Å; K240-F283 VanDerWaalsContact CD-O 3.23Å; K240-F283 WeakPolarHBondContact CD-O 3.43Å; K240-F283 WeakPolarHBondContact CE-O 3.34Å; K240-F283 HydrophobicContact CG-CZ 4.28Å; K240-F283 PolarHBondContact NZ-O 3.43Å; W249-F283 HydrophobicContact CD2-CE1 4.38Å; W249-F283 HydrophobicContact CE3-CD1 4.33Å; W249-F283 AromaticContact CE3-CE1 3.63Å; W249-F283 HydrophobicContact CE3-CE1 3.63Å; W249-F283 HydrophobicContact CE3-CZ 4.08Å; W249-F283 HydrophobicContact CZ3-CD1 4.23Å; W249-F283 AromaticContact CZ3-CE1 3.77Å; W249-F283 HydrophobicContact CZ3-CE1 3.77Å; V262-F283 HydrophobicContact CB-CB 4.24Å; V262-F283 HydrophobicContact CB-CG 4.28Å; V262-F283 HydrophobicContact CG1-CB 4.49Å; V262-F283 HydrophobicContact CG1-CD1 4.11Å; V262-F283 HydrophobicContact CG1-CD2 4.15Å; V262-F283 HydrophobicContact CG1-CE1 4.39Å; V262-F283 HydrophobicContact CG1-CE2 4.42Å; V262-F283 HydrophobicContact CG1-CG 3.99Å; V262-F283 HydrophobicContact CG2-CB 4.09Å; V262-F283 HydrophobicContact CG2-CG 4.39Å; Y264-F283 AromaticContact CD2-CE2 3.78Å; Y264-F283 HydrophobicContact CD2-CE2 3.78Å; Y264-F283 HydrophobicContact CD2-CZ 4.08Å; Y264-F283 HydrophobicContact CE2-CE2 4.35Å; Y264-F283 HydrophobicContact CG-CE2 4.5Å; Y277-F283 HydrophobicContact CD1-CB 4.25Å; Y277-F283 HydrophobicContact CD1-CD2 4.02Å; Y277-F283 AromaticContact CD2-CD2 3.51Å; Y277-F283 HydrophobicContact CD2-CD2 3.51Å; Y277-F283 HydrophobicContact CD2-CE2 4.16Å; Y277-F283 HydrophobicContact CD2-CG 4.44Å; Y277-F283 HydrophobicContact CE1-CD2 4.02Å; Y277-F283 AromaticContact CE2-CD2 3.51Å; Y277-F283 HydrophobicContact CE2-CD2 3.51Å; Y277-F283 AromaticContact CE2-CE2 3.8Å; Y277-F283 HydrophobicContact CE2-CE2 3.8Å; Y277-F283 HydrophobicContact CG-CB 4.04Å; Y277-F283 AromaticContact CG-CD2 3.76Å; Y277-F283 HydrophobicContact CG-CD2 3.76Å; Y277-F283 HydrophobicContact CG-CG 4.39Å; Y277-F283 AromaticContact CZ-CD2 3.77Å; S279-F283 PolarHBondContact O-N 3.31Å; M280-F283 WeakPolarHBondContact O-CB 3.21Å; M280-F283 PolarHBondContact O-N 3.02Å; M280-F283 HydrophobicContact SD-CD1 4.13Å; A281-F283 VanDerWaalsContact C-N 3.33Å; A281-F283 PolarHBondContact O-N 3.36Å; F283-Q469 HydrophobicContact CE1-CB 4.13Å; F283-Q469 HydrophobicContact CE1-CG 4.42Å; F283-Q469 HydrophobicContact CZ-CB 4.06Å; F283-Q469 HydrophobicContact CZ-CG 3.86Å
284	M	94.8	Very high	96.5	Very high	72 Å²	72	62.2 Å²	62.2	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-39.8	-178.7	-70.1	177.7	105	0	0	113.3	I239 M280 A281	I239-M284 HydrophobicContact CB-CE 4.41Å; I239-M284 HydrophobicContact CD1-CE 3.85Å; I239-M284 HydrophobicContact CG2-CE 4.02Å; I239-M284 HydrophobicContact CG2-CG 3.56Å; I239-M284 HydrophobicContact CG2-SD 4.23Å; M280-M284 HydrophobicContact CG-SD 4.31Å; M280-M284 VanDerWaalsContact O-CG 3.26Å; M280-M284 WeakPolarHBondContact O-CG 3.43Å; M280-M284 PolarHBondContact O-N 3.29Å; A281-M284 PolarHBondContact O-N 2.7Å
285	T	94.3	Very high	96.5	Very high	112 Å²	112	65 Å²	65	69%	0.687	34%	0.342	S	S	*	.	H	α-helix	trans	-107.2	-16.8	-164.9	59.7	0	0	0	0	114.5	A281	A281-T285 PolarHBondContact O-N 3.41Å; A281-T285 PolarHBondContact O-OG1 3Å
286	T	94.9	Very high	96.4	Very high	38 Å²	38	64.7 Å²	64.7	23%	0.233	34%	0.343	C	S	.	.			trans	-129.8	169.9	-174.6	82	0	0	0	0	111.8	K240 D282 N288	K240-T286 PolarHBondContact NZ-O 3.04Å; D282-T286 WeakPolarHBondContact O-CA 3.17Å; D282-T286 WeakPolarHBondContact O-CB 3.37Å; D282-T286 PolarHBondContact O-N 3.15Å; D282-T286 PolarHBondContact O-OG1 2.95Å; T286-N288 PolarHBondContact OG1-N 3.49Å
287	D	94.1	Very high	96.4	Very high	115 Å²	115	64 Å²	64	62%	0.615	34%	0.342	S	S	*	.			trans	-112.6	21.4	167.3	-63.1	-38.3	0	0	0	111.5	K240 F289	K240-D287 IonicContact NZ-OD1 2.95Å; K240-D287 PolarHBondContact NZ-OD1 2.77Å; D287-F289 WeakPolarHBondContact O-CD1 3.32Å; D287-F289 WeakPolarHBondContact O-CE1 3.08Å; D287-F289 PolarHBondContact O-N 3.02Å
288	N	96	Very high	96.5	Very high	129 Å²	129	64 Å²	64	69%	0.69	34%	0.342	S	S	*	.			trans	-81.8	111.2	177.5	-72.1	-11	0	0	0	109.7	Y277 T286	Y277-N288 WeakPolarHBondContact CD1-O 3.49Å; T286-N288 PolarHBondContact OG1-N 3.49Å
289	F	98	Very high	96.6	Very high	83 Å²	83	56 Å²	56	36%	0.364	31%	0.307	S	S	.	.			trans	-139.9	155.7	177.1	56.7	-98	0	0	0	111.8	R275 E276 Y277 D287	R275-F289 HydrophobicContact CB-CB 4.13Å; R275-F289 HydrophobicContact CB-CD2 3.96Å; R275-F289 HydrophobicContact CB-CG 4.01Å; R275-F289 HydrophobicContact CG-CD2 3.7Å; R275-F289 HydrophobicContact CG-CE2 3.89Å; R275-F289 HydrophobicContact CG-CG 4.09Å; R275-F289 HydrophobicContact CG-CZ 4.41Å; E276-F289 CarbonylContact O-C 3.48Å; E276-F289 VanDerWaalsContact O-CA 3.27Å; E276-F289 WeakPolarHBondContact O-CA 3.31Å; E276-F289 WeakPolarHBondContact O-CB 3.38Å; Y277-F289 HydrophobicContact CD1-CB 4.03Å; Y277-F289 HydrophobicContact CD2-CB 4.3Å; Y277-F289 HydrophobicContact CE1-CB 3.9Å; Y277-F289 AromaticContact CE1-CD1 3.98Å; Y277-F289 HydrophobicContact CE1-CD1 3.98Å; Y277-F289 HydrophobicContact CE1-CG 4.42Å; Y277-F289 HydrophobicContact CE2-CB 4.17Å; Y277-F289 HydrophobicContact CG-CB 4.24Å; Y277-F289 AromaticContact CZ-CD1 3.85Å; D287-F289 WeakPolarHBondContact O-CD1 3.32Å; D287-F289 WeakPolarHBondContact O-CE1 3.08Å; D287-F289 PolarHBondContact O-N 3.02Å
290	T	97.9	Very high	96.8	Very high	86 Å²	86	55 Å²	55	53%	0.528	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.4	163.8	-55.9	0	0	0	0	109.1	R275 E276	R275-T290 CarbonylContact C-O 3.49Å; R275-T290 WeakPolarHBondContact CA-O 3.22Å; E276-T290 PolarHBondContact N-O 3.22Å; E276-T290 PolarHBondContact O-N 3.13Å
291	S	97.8	Very high	97	Very high	60 Å²	60	53.7 Å²	53.7	42%	0.42	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.4	-178	-172.3	0	0	0	0	110.7	F273 V274	F273-S291 WeakPolarHBondContact CD1-OG 3.41Å; V274-S291 WeakPolarHBondContact O-CA 3.34Å
292	H	98.1	Very high	97.3	Very high	27 Å²	27	51.1 Å²	51.1	13%	0.125	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.7	176.7	-64.9	-86.3	0	0	0	110.1	W263 F273 V274 E276 F325	W263-H292 AromaticContact CZ3-CD2 3.59Å; W263-H292 AromaticContact CZ3-NE2 3.75Å; F273-H292 WeakPolarHBondContact CA-O 3.24Å; V274-H292 HydrophobicContact CB-CB 4.33Å; V274-H292 PolarHBondContact N-O 3.41Å; V274-H292 PolarHBondContact O-N 2.78Å; E276-H292 IonicContact OE2-CD2 3.73Å; E276-H292 IonicContact OE2-CE1 3.49Å; E276-H292 PolarHBondContact OE2-CE1 2.68Å; E276-H292 IonicContact OE2-NE2 2.66Å; E276-H292 PolarHBondContact OE2-NE2 3.33Å; H292-F325 HydrophobicContact CB-CD1 4.15Å; H292-F325 HydrophobicContact CB-CE1 4.02Å; H292-F325 AromaticContact CG-CD1 3.82Å; H292-F325 AromaticContact ND1-CD1 3.88Å
293	R	98.1	Very high	97.4	Very high	148 Å²	148	48.8 Å²	48.8	56%	0.558	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	109	178.7	-172.7	178	-175.8	-89.1	9.5	110.6	R272 F273	R272-R293 HydrophobicContact CG-CG 4.29Å; R272-R293 CarbonylContact O-C 3.56Å; R272-R293 WeakPolarHBondContact O-CA 3.46Å; F273-R293 HydrophobicContact CD1-CB 4.03Å; F273-R293 HydrophobicContact CD1-CG 4.2Å; F273-R293 HydrophobicContact CE1-CB 3.83Å; F273-R293 HydrophobicContact CE1-CG 3.74Å; F273-R293 HydrophobicContact CZ-CG 4.18Å
294	L	98.4	Very high	97.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.			trans	-68.5	145.6	174.2	-56.5	-178.3	0	0	0	111.2	R272 V274 H296 W298 I310 F312 F323	R272-L294 HydrophobicContact CB-CB 4.34Å; R272-L294 PolarHBondContact O-N 2.76Å; V274-L294 HydrophobicContact CG2-CD1 3.79Å; V274-L294 HydrophobicContact CG2-CD2 4.13Å; V274-L294 HydrophobicContact CG2-CG 3.9Å; L294-H296 WeakPolarHBondContact CB-O 3.37Å; L294-H296 PolarHBondContact O-N 3.12Å; L294-W298 HydrophobicContact CD1-CE3 3.87Å; L294-W298 HydrophobicContact CD1-CZ3 4.15Å; L294-I310 HydrophobicContact CD1-CD1 4.44Å; L294-I310 HydrophobicContact CD2-CG2 3.98Å; L294-F312 HydrophobicContact CB-CZ 4.4Å; L294-F312 HydrophobicContact CD1-CD1 4.15Å; L294-F312 HydrophobicContact CD1-CE1 3.92Å; L294-F312 HydrophobicContact CD1-CE2 4.32Å; L294-F312 HydrophobicContact CD1-CG 4.45Å; L294-F312 HydrophobicContact CD1-CZ 4.01Å; L294-F312 HydrophobicContact CD2-CE1 4.46Å; L294-F323 HydrophobicContact CD2-CB 4.4Å; L294-F323 HydrophobicContact CD2-CD1 3.68Å; L294-F323 HydrophobicContact CD2-CD2 4.43Å; L294-F323 HydrophobicContact CD2-CE1 3.96Å; L294-F323 HydrophobicContact CD2-CG 3.92Å; L294-F323 HydrophobicContact CD2-CZ 4.44Å
295	P	97.5	Very high	97.6	Very high	60 Å²	60	46 Å²	46	39%	0.39	25%	0.247	S	C	.	.	S	Bend	trans	-64.4	-26.8	177.6	-25.1	35.6	0	0	0	113.8	F323 I330	P295-F323 HydrophobicContact CG-CD2 4.12Å; P295-F323 HydrophobicContact CG-CE2 3.98Å; P295-I330 HydrophobicContact CB-CD1 4.08Å; P295-I330 HydrophobicContact CG-CD1 4.1Å; P295-I330 HydrophobicContact CG-CG1 4.05Å
296	H	98.3	Very high	97.8	Very high	66 Å²	66	43 Å²	43	31%	0.306	22%	0.224	S	C	.	.	S	Bend	trans	-129.7	146.5	177.2	-62.2	-62	0	0	0	110.3	L294 F312 K314 I321	L294-H296 WeakPolarHBondContact CB-O 3.37Å; L294-H296 PolarHBondContact O-N 3.12Å; H296-F312 HydrophobicContact CB-CE2 4.48Å; H296-K314 HydrophobicContact CB-CG 4.14Å; H296-I321 HydrophobicContact CB-CD1 4.24Å
297	P	98.4	Very high	97.8	Very high	17 Å²	17	45.9 Å²	45.9	11%	0.11	24%	0.238	C	C	.	.			trans	-66.3	159	169.4	-6.3	20.6	0	0	0	111.6	N270 N271 R272 F315	N270-P297 WeakPolarHBondContact OD1-CG 3.44Å; N271-P297 WeakPolarHBondContact O-CA 3.34Å; N271-P297 WeakPolarHBondContact O-CB 3.21Å; R272-P297 HydrophobicContact CB-CB 4.44Å; P297-F315 HydrophobicContact CB-CB 3.96Å; P297-F315 HydrophobicContact CB-CG 4.4Å; P297-F315 HydrophobicContact CG-CB 4.32Å; P297-F315 WeakPolarHBondContact O-CB 3.25Å; P297-F315 PolarHBondContact O-N 3.45Å
298	W	98.6	Very high	97.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-94.4	161.4	173.2	62	80.9	0	0	0	112.7	M265 D266 G267 N271 F273 V274 L294 G300 F312 N313	M265-W298 HydrophobicContact CB-CH2 3.94Å; M265-W298 HydrophobicContact CB-CZ2 3.74Å; M265-W298 HydrophobicContact CG-CH2 4.04Å; M265-W298 HydrophobicContact CG-CZ2 4.28Å; M265-W298 HydrophobicContact CG-CZ3 4.31Å; D266-W298 WeakPolarHBondContact O-CZ2 3.47Å; G267-W298 PolarHBondContact O-NE1 2.9Å; N271-W298 HydrophobicContact CB-CH2 3.76Å; N271-W298 HydrophobicContact CB-CZ2 3.53Å; N271-W298 HydrophobicContact CB-CZ3 4.46Å; N271-W298 VanDerWaalsContact CG-CH2 3.46Å; N271-W298 WeakPolarHBondContact ND2-CH2 3.26Å; N271-W298 WeakPolarHBondContact ND2-CZ2 3.31Å; N271-W298 PolarHBondContact O-N 3.01Å; F273-W298 WeakPolarHBondContact O-CH2 3.37Å; V274-W298 HydrophobicContact CG2-CZ3 4.16Å; L294-W298 HydrophobicContact CD1-CE3 3.87Å; L294-W298 HydrophobicContact CD1-CZ3 4.15Å; W298-G300 VanDerWaalsContact CD1-O 3.23Å; W298-F312 HydrophobicContact CB-CB 4.43Å; W298-F312 HydrophobicContact CB-CD2 3.91Å; W298-N313 CarbonylContact C-O 3.57Å; W298-N313 VanDerWaalsContact CA-O 3.28Å; W298-N313 WeakPolarHBondContact CA-O 3.42Å
299	S	98.5	Very high	98.1	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-108.1	140.5	162.2	-73.9	0	0	0	0	109.3	Y268 N313 F315 Q316	Y268-S299 CarbonylContact O-C 3.58Å; S299-N313 VanDerWaalsContact CB-OD1 3.3Å; S299-N313 WeakPolarHBondContact CB-OD1 3.34Å; S299-N313 PolarHBondContact N-O 2.84Å; S299-F315 VanDerWaalsContact OG-CA 3.3Å; S299-F315 WeakPolarHBondContact OG-CA 3.46Å; S299-Q316 PolarHBondContact OG-N 2.97Å; S299-Q316 VanDerWaalsContact OG-N 3.13Å
300	G	98.5	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	72.7	-163.3	173.1	0	0	0	0	0	113.5	Y268 W298 Q303 G351 H352	Y268-G300 WeakPolarHBondContact CA-O 3.44Å; Y268-G300 PolarHBondContact O-N 3.02Å; W298-G300 VanDerWaalsContact CD1-O 3.23Å; G300-Q303 PolarHBondContact O-NE2 3.5Å; G300-G351 VanDerWaalsContact CA-O 3.31Å; G300-G351 WeakPolarHBondContact CA-O 3.43Å; G300-H352 WeakPolarHBondContact CA-O 3.28Å; G300-H352 PolarHBondContact N-O 3.43Å
301	T	98.7	Very high	98.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.147	C	C	.	.	S	Bend	trans	-125.2	9.5	-177.7	48.6	0	0	0	0	112.4	G247 S248 Q303 W349 S450	G247-T301 WeakPolarHBondContact O-CG2 3.38Å; S248-T301 VanDerWaalsContact CB-O 3.24Å; S248-T301 WeakPolarHBondContact CB-O 3.48Å; T301-Q303 VanDerWaalsContact C-N 3.29Å; T301-Q303 PolarHBondContact O-N 3.33Å; T301-Q303 PolarHBondContact O-OE1 3.07Å; T301-Q303 VanDerWaalsContact O-OE1 3.06Å; T301-W349 HydrophobicContact CG2-CH2 4.01Å; T301-W349 HydrophobicContact CG2-CZ2 4.36Å; T301-W349 VanDerWaalsContact OG1-CZ2 3.31Å; T301-W349 WeakPolarHBondContact OG1-CZ2 3.23Å; T301-S450 WeakPolarHBondContact CB-O 3.44Å; T301-S450 PolarHBondContact OG1-O 3.18Å
302	G	98.3	Very high	98.2	Very high	5 Å²	5	24.8 Å²	24.8	5%	0.052	13%	0.127	C	C	.	.			trans	-91.5	45.1	-178.4	0	0	0	0	0	113.4	D356 L357	G302-D356 WeakPolarHBondContact CA-OD1 3.47Å; G302-L357 WeakPolarHBondContact O-CB 3.05Å; G302-L357 PolarHBondContact O-N 2.87Å
303	Q	98.7	Very high	98.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.122	C	C	.	.			trans	-82.7	152.5	169.7	-50.6	84.7	-4.3	0	0	109.4	S248 M250 M265 G300 T301 I310 Y311 F312	S248-Q303 PolarHBondContact OG-OE1 2.98Å; M250-Q303 HydrophobicContact CE-CB 4.47Å; M250-Q303 WeakPolarHBondContact CE-O 3.26Å; M265-Q303 HydrophobicContact SD-CB 3.85Å; M265-Q303 HydrophobicContact SD-CG 4.02Å; G300-Q303 PolarHBondContact O-NE2 3.5Å; T301-Q303 VanDerWaalsContact C-N 3.29Å; T301-Q303 PolarHBondContact O-N 3.33Å; T301-Q303 PolarHBondContact O-OE1 3.07Å; T301-Q303 VanDerWaalsContact O-OE1 3.06Å; Q303-I310 HydrophobicContact CB-CD1 4.26Å; Q303-I310 HydrophobicContact CB-CG1 4.4Å; Q303-Y311 VanDerWaalsContact CA-O 3.29Å; Q303-Y311 WeakPolarHBondContact CA-O 3.21Å; Q303-F312 HydrophobicContact CB-CB 4.24Å; Q303-F312 HydrophobicContact CG-CB 3.67Å
304	V	98.8	Very high	98.3	Very high	12 Å²	12	19.9 Å²	19.9	7%	0.073	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.6	168.9	65.9	0	0	0	0	110.8	M250 I310 Y311 L357 V359 L364	M250-V304 WeakPolarHBondContact SD-CA 3.48Å; V304-I310 WeakPolarHBondContact O-CA 3.49Å; V304-Y311 HydrophobicContact CG1-CD2 4.37Å; V304-Y311 HydrophobicContact CG1-CG 4.45Å; V304-Y311 PolarHBondContact N-O 2.8Å; V304-Y311 PolarHBondContact O-N 3.42Å; V304-L357 HydrophobicContact CG1-CB 3.9Å; V304-V359 HydrophobicContact CG1-CG2 4.2Å; V304-V359 HydrophobicContact CG2-CB 4.18Å; V304-V359 HydrophobicContact CG2-CG2 3.66Å; V304-L364 HydrophobicContact CG1-CD1 3.59Å
305	V	98.8	Very high	98.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.6	167.5	-177.5	0	0	0	0	108.5	M250 D252 P253 W263 S309 I310 F325	M250-V305 HydrophobicContact CG-CB 4.33Å; M250-V305 HydrophobicContact CG-CG2 4.12Å; M250-V305 HydrophobicContact SD-CB 4.25Å; M250-V305 HydrophobicContact SD-CG2 3.88Å; M250-V305 PolarHBondContact SD-N 2.9Å; D252-V305 HydrophobicContact CB-CG1 3.9Å; P253-V305 WeakPolarHBondContact CD-O 3.35Å; W263-V305 HydrophobicContact CB-CG2 3.87Å; W263-V305 HydrophobicContact CD2-CG2 4.15Å; W263-V305 HydrophobicContact CG-CB 4.32Å; W263-V305 HydrophobicContact CG-CG1 4.4Å; W263-V305 HydrophobicContact CG-CG2 3.66Å; V305-S309 CarbonylContact C-O 3.58Å; V305-S309 WeakPolarHBondContact CA-O 3.33Å; V305-I310 HydrophobicContact CG2-CB 4.17Å; V305-I310 HydrophobicContact CG2-CG1 4.27Å; V305-F325 HydrophobicContact CG1-CE2 4.07Å; V305-F325 HydrophobicContact CG2-CE2 4Å; V305-F325 HydrophobicContact CG2-CZ 4.44Å
306	Y	98	Very high	98.2	Very high	51 Å²	51	23.8 Å²	23.8	20%	0.2	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	121.1	-178.1	-173.9	-119.8	0	0	0	111	D252 P253 A254 G308 S309 V359 P384	D252-Y306 WeakPolarHBondContact OD1-CA 3.27Å; P253-Y306 HydrophobicContact CG-CD2 3.93Å; P253-Y306 HydrophobicContact CG-CE2 4.32Å; A254-Y306 HydrophobicContact CB-CD2 4.07Å; A254-Y306 HydrophobicContact CB-CE2 3.81Å; Y306-G308 PolarHBondContact O-N 3.31Å; Y306-S309 PolarHBondContact N-O 2.89Å; Y306-S309 PolarHBondContact O-N 3.4Å; Y306-V359 HydrophobicContact CD1-CG2 4.46Å; Y306-V359 HydrophobicContact CD2-CB 4.39Å; Y306-V359 HydrophobicContact CD2-CG1 3.73Å; Y306-V359 HydrophobicContact CD2-CG2 3.85Å; Y306-V359 HydrophobicContact CE2-CG1 3.69Å; Y306-V359 HydrophobicContact CE2-CG2 4.46Å; Y306-V359 HydrophobicContact CG-CG1 4.5Å; Y306-V359 HydrophobicContact CG-CG2 3.84Å; Y306-P384 HydrophobicContact CD1-CB 4.15Å; Y306-P384 HydrophobicContact CD1-CG 4.37Å; Y306-P384 HydrophobicContact CE1-CB 4.06Å; Y306-P384 HydrophobicContact CE1-CG 3.89Å
307	N	95.4	Very high	98.2	Very high	97 Å²	97	21.5 Å²	21.5	52%	0.519	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	55.3	179.1	-164.6	6.4	0	0	0	112.8	D252 A254 S309	D252-N307 VanDerWaalsContact CG-N 3.29Å; D252-N307 PolarHBondContact OD1-N 2.79Å; D252-N307 WeakPolarHBondContact OD2-CA 3.38Å; D252-N307 PolarHBondContact OD2-N 3.44Å; A254-N307 HydrophobicContact CB-CB 3.94Å; N307-S309 PolarHBondContact O-N 3.34Å
308	G	96.2	Very high	98.2	Very high	27 Å²	27	22.1 Å²	22.1	28%	0.278	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.3	175.7	0	0	0	0	0	115.6	D252 Y306 F325	D252-G308 PolarHBondContact OD2-N 2.83Å; Y306-G308 PolarHBondContact O-N 3.31Å; G308-F325 WeakPolarHBondContact O-CD2 3.32Å; G308-F325 PolarHBondContact O-N 2.85Å
309	S	98.5	Very high	98.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.6	178.8	-63.7	0	0	0	0	111.7	V305 Y306 N307 K322 F323	V305-S309 CarbonylContact C-O 3.58Å; V305-S309 WeakPolarHBondContact CA-O 3.33Å; Y306-S309 PolarHBondContact N-O 2.89Å; Y306-S309 PolarHBondContact O-N 3.4Å; N307-S309 PolarHBondContact O-N 3.34Å; S309-K322 WeakPolarHBondContact OG-CE 3.37Å; S309-F323 CarbonylContact C-O 3.58Å; S309-F323 WeakPolarHBondContact CA-O 3.2Å; S309-F323 WeakPolarHBondContact CB-O 3.33Å
310	I	98.8	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.5	166.3	-174.6	172.9	0	0	0	110.5	M265 V274 L294 Q303 V304 V305 F312 K322 F323 F325	M265-I310 HydrophobicContact SD-CD1 3.63Å; V274-I310 HydrophobicContact CG2-CD1 3.89Å; L294-I310 HydrophobicContact CD1-CD1 4.44Å; L294-I310 HydrophobicContact CD2-CG2 3.98Å; Q303-I310 HydrophobicContact CB-CD1 4.26Å; Q303-I310 HydrophobicContact CB-CG1 4.4Å; V304-I310 WeakPolarHBondContact O-CA 3.49Å; V305-I310 HydrophobicContact CG2-CB 4.17Å; V305-I310 HydrophobicContact CG2-CG1 4.27Å; I310-F312 HydrophobicContact CG1-CD1 4.39Å; I310-F312 HydrophobicContact CG2-CD1 4.34Å; I310-K322 WeakPolarHBondContact O-CA 3.17Å; I310-F323 HydrophobicContact CG2-CB 3.79Å; I310-F323 HydrophobicContact CG2-CD1 3.9Å; I310-F323 HydrophobicContact CG2-CG 4.29Å; I310-F323 PolarHBondContact N-O 3.47Å; I310-F323 PolarHBondContact O-N 2.75Å; I310-F325 HydrophobicContact CB-CE1 4.49Å; I310-F325 HydrophobicContact CB-CE2 3.64Å; I310-F325 HydrophobicContact CB-CZ 3.51Å; I310-F325 HydrophobicContact CD1-CZ 4.31Å; I310-F325 HydrophobicContact CG1-CZ 4.47Å; I310-F325 HydrophobicContact CG2-CE1 4.02Å; I310-F325 HydrophobicContact CG2-CE2 3.92Å; I310-F325 HydrophobicContact CG2-CZ 3.51Å
311	Y	98.9	Very high	98.3	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125	172.9	-60.9	-102.7	0	0	0	107.9	Q303 V304 I321 K322 L364 P384 L387	Q303-Y311 VanDerWaalsContact CA-O 3.29Å; Q303-Y311 WeakPolarHBondContact CA-O 3.21Å; V304-Y311 HydrophobicContact CG1-CD2 4.37Å; V304-Y311 HydrophobicContact CG1-CG 4.45Å; V304-Y311 PolarHBondContact N-O 2.8Å; V304-Y311 PolarHBondContact O-N 3.42Å; Y311-I321 VanDerWaalsContact CA-O 3.29Å; Y311-I321 WeakPolarHBondContact CA-O 3.41Å; Y311-K322 HydrophobicContact CD1-CB 4.03Å; Y311-K322 HydrophobicContact CD1-CG 4.24Å; Y311-K322 HydrophobicContact CE1-CB 3.85Å; Y311-K322 HydrophobicContact CE1-CD 3.78Å; Y311-K322 HydrophobicContact CE1-CG 3.71Å; Y311-K322 HydrophobicContact CE2-CG 4.42Å; Y311-K322 WeakPolarHBondContact OH-CD 3.42Å; Y311-K322 VanDerWaalsContact OH-CE 3.22Å; Y311-K322 WeakPolarHBondContact OH-CE 3.3Å; Y311-K322 PolarHBondContact OH-NZ 3.41Å; Y311-L364 HydrophobicContact CD1-CD2 3.56Å; Y311-L364 HydrophobicContact CE1-CD2 3.54Å; Y311-L364 HydrophobicContact CG-CD1 4.46Å; Y311-L364 HydrophobicContact CG-CD2 4.15Å; Y311-P384 WeakPolarHBondContact CE1-O 3.41Å; Y311-P384 PolarHBondContact OH-O 2.91Å; Y311-L387 HydrophobicContact CD1-CD2 3.67Å; Y311-L387 HydrophobicContact CE1-CD2 3.62Å
312	F	98.8	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	153.9	-178.2	66.9	-81.7	0	0	0	112.3	L294 H296 W298 Q303 I310 I321 F323	L294-F312 HydrophobicContact CB-CZ 4.4Å; L294-F312 HydrophobicContact CD1-CD1 4.15Å; L294-F312 HydrophobicContact CD1-CE1 3.92Å; L294-F312 HydrophobicContact CD1-CE2 4.32Å; L294-F312 HydrophobicContact CD1-CG 4.45Å; L294-F312 HydrophobicContact CD1-CZ 4.01Å; L294-F312 HydrophobicContact CD2-CE1 4.46Å; H296-F312 HydrophobicContact CB-CE2 4.48Å; W298-F312 HydrophobicContact CB-CB 4.43Å; W298-F312 HydrophobicContact CB-CD2 3.91Å; Q303-F312 HydrophobicContact CB-CB 4.24Å; Q303-F312 HydrophobicContact CG-CB 3.67Å; I310-F312 HydrophobicContact CG1-CD1 4.39Å; I310-F312 HydrophobicContact CG2-CD1 4.34Å; F312-I321 HydrophobicContact CD1-CB 4.2Å; F312-I321 HydrophobicContact CD1-CG2 4.38Å; F312-I321 HydrophobicContact CE1-CB 3.71Å; F312-I321 HydrophobicContact CE1-CG2 3.52Å; F312-I321 HydrophobicContact CE2-CB 4.22Å; F312-I321 HydrophobicContact CE2-CD1 4.12Å; F312-I321 HydrophobicContact CZ-CB 3.72Å; F312-I321 HydrophobicContact CZ-CD1 3.92Å; F312-I321 HydrophobicContact CZ-CG1 4.37Å; F312-I321 HydrophobicContact CZ-CG2 3.66Å; F312-I321 PolarHBondContact N-O 3.29Å; F312-I321 PolarHBondContact O-N 3.42Å; F312-F323 HydrophobicContact CE1-CB 4.16Å
313	N	98.8	Very high	98.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121	170	177.2	-137.2	0	0	0	110.4	W298 S299 F315 S317 V319 I355	W298-N313 CarbonylContact C-O 3.57Å; W298-N313 VanDerWaalsContact CA-O 3.28Å; W298-N313 WeakPolarHBondContact CA-O 3.42Å; S299-N313 VanDerWaalsContact CB-OD1 3.3Å; S299-N313 WeakPolarHBondContact CB-OD1 3.34Å; S299-N313 PolarHBondContact N-O 2.84Å; N313-F315 PolarHBondContact O-N 2.94Å; N313-S317 PolarHBondContact ND2-O 2.75Å; N313-S317 PolarHBondContact OD1-O 2.97Å; N313-V319 PolarHBondContact ND2-O 3.14Å; N313-I355 HydrophobicContact CB-CB 4.25Å; N313-I355 HydrophobicContact CB-CG2 4.45Å
314	K	98.6	Very high	98.2	Very high	71 Å²	71	26.6 Å²	26.6	31%	0.309	14%	0.137	S	C	.	.	B	Isolated β-bridge	trans	-63	133.9	175.2	176	-173.2	-177.4	177.1	0	110.3	H296 Q316 S317 V319 I321	H296-K314 HydrophobicContact CB-CG 4.14Å; K314-Q316 PolarHBondContact O-N 3.32Å; K314-S317 WeakPolarHBondContact CB-OG 3.44Å; K314-S317 PolarHBondContact O-N 3.22Å; K314-S317 PolarHBondContact O-OG 2.81Å; K314-V319 HydrophobicContact CB-CB 4.26Å; K314-V319 HydrophobicContact CD-CB 4.47Å; K314-V319 PolarHBondContact N-O 3.13Å; K314-I321 HydrophobicContact CB-CD1 3.8Å; K314-I321 HydrophobicContact CB-CG1 4.21Å; K314-I321 HydrophobicContact CD-CD1 4.13Å; K314-I321 HydrophobicContact CG-CD1 4.13Å
315	F	98.1	Very high	98.1	Very high	40 Å²	40	26.7 Å²	26.7	18%	0.175	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	131.5	-179.5	-174.6	-115.4	0	0	0	113.6	H269 N270 P297 S299 N313 S317	H269-F315 AromaticContact CD2-CE2 3.51Å; H269-F315 AromaticContact CD2-CZ 3.92Å; H269-F315 AromaticContact CE1-CZ 3.85Å; H269-F315 AromaticContact NE2-CE2 3.51Å; H269-F315 AromaticContact NE2-CZ 3.38Å; H269-F315 WeakPolarHBondContact NE2-CZ 3.31Å; N270-F315 HydrophobicContact CB-CZ 4.45Å; P297-F315 HydrophobicContact CB-CB 3.96Å; P297-F315 HydrophobicContact CB-CG 4.4Å; P297-F315 HydrophobicContact CG-CB 4.32Å; P297-F315 WeakPolarHBondContact O-CB 3.25Å; P297-F315 PolarHBondContact O-N 3.45Å; S299-F315 VanDerWaalsContact OG-CA 3.3Å; S299-F315 WeakPolarHBondContact OG-CA 3.46Å; N313-F315 PolarHBondContact O-N 2.94Å; F315-S317 PolarHBondContact O-N 3.37Å
316	Q	97.2	Very high	97.9	Very high	102 Å²	102	36.1 Å²	36.1	48%	0.477	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	37.1	179	-65.6	-176.8	-35	0	0	114.5	S299 K314 Y341	S299-Q316 PolarHBondContact OG-N 2.97Å; S299-Q316 VanDerWaalsContact OG-N 3.13Å; K314-Q316 PolarHBondContact O-N 3.32Å; Q316-Y341 VanDerWaalsContact O-CE2 3.28Å; Q316-Y341 WeakPolarHBondContact O-CE2 3.29Å
317	S	98.3	Very high	97.8	Very high	18 Å²	18	37.6 Å²	37.6	13%	0.126	19%	0.192	C	C	.	.	S	Bend	trans	-147.6	171.3	176.5	75.9	0	0	0	0	110.5	N313 K314 F315 V319 Y341	N313-S317 PolarHBondContact ND2-O 2.75Å; N313-S317 PolarHBondContact OD1-O 2.97Å; K314-S317 WeakPolarHBondContact CB-OG 3.44Å; K314-S317 PolarHBondContact O-N 3.22Å; K314-S317 PolarHBondContact O-OG 2.81Å; F315-S317 PolarHBondContact O-N 3.37Å; S317-V319 PolarHBondContact OG-N 3.35Å; S317-Y341 VanDerWaalsContact CA-CD2 3.48Å; S317-Y341 WeakPolarHBondContact O-CB 3.33Å
318	H	98.3	Very high	97.9	Very high	30 Å²	30	36.4 Å²	36.4	14%	0.139	19%	0.19	C	C	.	.	S	Bend	trans	-104.3	34.2	167.9	56.9	120.9	0	0	0	111.2	Q335 L336 A339 Y341 I355	H318-Q335 VanDerWaalsContact CE1-CD 3.44Å; H318-Q335 WeakPolarHBondContact CE1-CG 3.49Å; H318-Q335 PolarHBondContact CE1-NE2 3.4Å; H318-Q335 VanDerWaalsContact ND1-CG 3.35Å; H318-Q335 WeakPolarHBondContact ND1-CG 3.35Å; H318-Q335 PolarHBondContact NE2-NE2 3.2Å; H318-L336 PolarHBondContact ND1-O 3.31Å; H318-L336 PolarHBondContact O-N 2.8Å; H318-A339 HydrophobicContact CB-CB 4.05Å; H318-Y341 HydrophobicContact CB-CD1 3.78Å; H318-Y341 HydrophobicContact CB-CG 4.2Å; H318-Y341 AromaticContact CD2-CD1 3.42Å; H318-Y341 VanDerWaalsContact CD2-CD1 3.42Å; H318-Y341 WeakPolarHBondContact CD2-CD1 3.37Å; H318-Y341 AromaticContact CD2-CE1 3.28Å; H318-Y341 WeakPolarHBondContact CD2-CE1 3.32Å; H318-Y341 AromaticContact CG-CD1 3.86Å; H318-Y341 AromaticContact NE2-CE1 3.94Å; H318-I355 HydrophobicContact CB-CD1 3.8Å
319	V	98.8	Very high	97.9	Very high	28 Å²	28	38.6 Å²	38.6	17%	0.17	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.2	177.3	178	0	0	0	0	109.2	N313 K314 S317 I321 S333 R334 Q335	N313-V319 PolarHBondContact ND2-O 3.14Å; K314-V319 HydrophobicContact CB-CB 4.26Å; K314-V319 HydrophobicContact CD-CB 4.47Å; K314-V319 PolarHBondContact N-O 3.13Å; S317-V319 PolarHBondContact OG-N 3.35Å; V319-I321 HydrophobicContact CG1-CG1 4.3Å; V319-S333 WeakPolarHBondContact CG1-OG 3.46Å; V319-R334 CarbonylContact C-O 3.58Å; V319-R334 WeakPolarHBondContact CA-O 3.46Å; V319-Q335 HydrophobicContact CG2-CB 4.42Å; V319-Q335 HydrophobicContact CG2-CG 4.47Å
320	I	98.8	Very high	97.9	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.4	169.3	-60.6	168.6	0	0	0	108.1	S333 R334 L336 L357 A366 L382 L387	I320-S333 WeakPolarHBondContact O-CA 3.43Å; I320-R334 PolarHBondContact N-O 3.18Å; I320-R334 PolarHBondContact O-N 3.31Å; I320-L336 HydrophobicContact CD1-CB 4.31Å; I320-L336 HydrophobicContact CD1-CD1 3.97Å; I320-L336 HydrophobicContact CD1-CD2 4.19Å; I320-L336 HydrophobicContact CD1-CG 4.41Å; I320-L357 HydrophobicContact CD1-CD2 3.7Å; I320-L357 HydrophobicContact CG1-CD1 4.44Å; I320-L357 HydrophobicContact CG1-CD2 4.16Å; I320-L357 HydrophobicContact CG2-CD1 3.81Å; I320-A366 HydrophobicContact CD1-CB 4.4Å; I320-L382 HydrophobicContact CD1-CD1 3.71Å; I320-L387 HydrophobicContact CB-CD1 4.46Å; I320-L387 HydrophobicContact CG2-CD1 4.1Å; I320-L387 HydrophobicContact CG2-CD2 4.18Å
321	I	98.8	Very high	97.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.1	175	-64.3	-177.8	0	0	0	108.8	H296 Y311 F312 K314 V319 I330	H296-I321 HydrophobicContact CB-CD1 4.24Å; Y311-I321 VanDerWaalsContact CA-O 3.29Å; Y311-I321 WeakPolarHBondContact CA-O 3.41Å; F312-I321 HydrophobicContact CD1-CB 4.2Å; F312-I321 HydrophobicContact CD1-CG2 4.38Å; F312-I321 HydrophobicContact CE1-CB 3.71Å; F312-I321 HydrophobicContact CE1-CG2 3.52Å; F312-I321 HydrophobicContact CE2-CB 4.22Å; F312-I321 HydrophobicContact CE2-CD1 4.12Å; F312-I321 HydrophobicContact CZ-CB 3.72Å; F312-I321 HydrophobicContact CZ-CD1 3.92Å; F312-I321 HydrophobicContact CZ-CG1 4.37Å; F312-I321 HydrophobicContact CZ-CG2 3.66Å; F312-I321 PolarHBondContact N-O 3.29Å; F312-I321 PolarHBondContact O-N 3.42Å; K314-I321 HydrophobicContact CB-CD1 3.8Å; K314-I321 HydrophobicContact CB-CG1 4.21Å; K314-I321 HydrophobicContact CD-CD1 4.13Å; K314-I321 HydrophobicContact CG-CD1 4.13Å; V319-I321 HydrophobicContact CG1-CG1 4.3Å; I321-I330 HydrophobicContact CD1-CD1 4.44Å; I321-I330 HydrophobicContact CG2-CD1 4.22Å; I321-I330 HydrophobicContact CG2-CG1 3.93Å; I321-I330 HydrophobicContact CG2-CG2 3.97Å
322	K	98.7	Very high	97.7	Very high	31 Å²	31	48.2 Å²	48.2	14%	0.135	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118	162.7	179.3	-176.2	-178.9	174.2	0	108.4	S309 I310 Y311 S331 K332 P384 L387	S309-K322 WeakPolarHBondContact OG-CE 3.37Å; I310-K322 WeakPolarHBondContact O-CA 3.17Å; Y311-K322 HydrophobicContact CD1-CB 4.03Å; Y311-K322 HydrophobicContact CD1-CG 4.24Å; Y311-K322 HydrophobicContact CE1-CB 3.85Å; Y311-K322 HydrophobicContact CE1-CD 3.78Å; Y311-K322 HydrophobicContact CE1-CG 3.71Å; Y311-K322 HydrophobicContact CE2-CG 4.42Å; Y311-K322 WeakPolarHBondContact OH-CD 3.42Å; Y311-K322 VanDerWaalsContact OH-CE 3.22Å; Y311-K322 WeakPolarHBondContact OH-CE 3.3Å; Y311-K322 PolarHBondContact OH-NZ 3.41Å; K322-S331 PolarHBondContact O-N 2.8Å; K322-K332 HydrophobicContact CB-CB 4.16Å; K322-K332 PolarHBondContact N-O 2.71Å; K322-K332 PolarHBondContact O-N 2.92Å; K322-P384 WeakPolarHBondContact CD-O 3.43Å; K322-P384 PolarHBondContact NZ-O 3.07Å; K322-L387 HydrophobicContact CB-CD1 4.28Å; K322-L387 HydrophobicContact CB-CD2 4.47Å
323	F	98.7	Very high	97.7	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	175.1	175.4	-87.8	0	0	0	109.6	L294 P295 S309 I310 F312 F325 S328 T329 I330	L294-F323 HydrophobicContact CD2-CB 4.4Å; L294-F323 HydrophobicContact CD2-CD1 3.68Å; L294-F323 HydrophobicContact CD2-CD2 4.43Å; L294-F323 HydrophobicContact CD2-CE1 3.96Å; L294-F323 HydrophobicContact CD2-CG 3.92Å; L294-F323 HydrophobicContact CD2-CZ 4.44Å; P295-F323 HydrophobicContact CG-CD2 4.12Å; P295-F323 HydrophobicContact CG-CE2 3.98Å; S309-F323 CarbonylContact C-O 3.58Å; S309-F323 WeakPolarHBondContact CA-O 3.2Å; S309-F323 WeakPolarHBondContact CB-O 3.33Å; I310-F323 HydrophobicContact CG2-CB 3.79Å; I310-F323 HydrophobicContact CG2-CD1 3.9Å; I310-F323 HydrophobicContact CG2-CG 4.29Å; I310-F323 PolarHBondContact N-O 3.47Å; I310-F323 PolarHBondContact O-N 2.75Å; F312-F323 HydrophobicContact CE1-CB 4.16Å; F323-F325 HydrophobicContact CD1-CD1 4.15Å; F323-F325 HydrophobicContact CD1-CE1 4.31Å; F323-F325 AromaticContact CE1-CD1 3.91Å; F323-F325 HydrophobicContact CE1-CD1 3.91Å; F323-F325 HydrophobicContact CE1-CE1 4.31Å; F323-S328 WeakPolarHBondContact CE2-O 3.48Å; F323-S328 VanDerWaalsContact CZ-C 3.46Å; F323-S328 VanDerWaalsContact CZ-CA 3.45Å; F323-T329 WeakPolarHBondContact CA-O 3.5Å; F323-T329 WeakPolarHBondContact CD2-O 3.26Å; F323-I330 HydrophobicContact CD2-CG1 4.39Å
324	D	97.9	Very high	97.7	Very high	36 Å²	36	55.3 Å²	55.3	19%	0.193	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	124.1	178.6	-178.6	-66.7	0	0	0	109.7	K326 T327 S328 T329 S331	D324-K326 WeakPolarHBondContact OD1-CA 3.41Å; D324-K326 VanDerWaalsContact OD1-CB 3.27Å; D324-K326 WeakPolarHBondContact OD1-CB 3.36Å; D324-K326 PolarHBondContact OD1-N 2.89Å; D324-T327 WeakPolarHBondContact CB-OG1 3.39Å; D324-T327 PolarHBondContact OD1-N 2.87Å; D324-T327 PolarHBondContact OD1-OG1 2.92Å; D324-S328 WeakPolarHBondContact O-CA 3.45Å; D324-S328 PolarHBondContact O-N 2.84Å; D324-T329 PolarHBondContact N-O 3.27Å; D324-T329 PolarHBondContact O-N 2.81Å; D324-S331 VanDerWaalsContact CB-OG 3.31Å; D324-S331 WeakPolarHBondContact CB-OG 3.42Å
325	F	96.5	Very high	97.6	Very high	15 Å²	15	57 Å²	57	7%	0.066	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.7	-177.5	-71.6	-67.4	0	0	0	112.8	W263 V274 H292 V305 G308 I310 F323 S328	W263-F325 AromaticContact CD2-CE2 3.96Å; W263-F325 HydrophobicContact CD2-CE2 3.96Å; W263-F325 HydrophobicContact CD2-CZ 4.09Å; W263-F325 HydrophobicContact CE3-CD1 4.41Å; W263-F325 HydrophobicContact CE3-CD2 4.33Å; W263-F325 AromaticContact CE3-CE1 3.84Å; W263-F325 HydrophobicContact CE3-CE1 3.84Å; W263-F325 AromaticContact CE3-CE2 3.72Å; W263-F325 HydrophobicContact CE3-CE2 3.72Å; W263-F325 AromaticContact CE3-CZ 3.44Å; W263-F325 HydrophobicContact CE3-CZ 3.44Å; W263-F325 VanDerWaalsContact CE3-CZ 3.44Å; W263-F325 HydrophobicContact CH2-CB 3.9Å; W263-F325 AromaticContact CH2-CD1 3.64Å; W263-F325 HydrophobicContact CH2-CD1 3.64Å; W263-F325 AromaticContact CH2-CD2 3.35Å; W263-F325 HydrophobicContact CH2-CD2 3.35Å; W263-F325 AromaticContact CH2-CE1 3.92Å; W263-F325 HydrophobicContact CH2-CE1 3.92Å; W263-F325 AromaticContact CH2-CE2 3.62Å; W263-F325 HydrophobicContact CH2-CE2 3.62Å; W263-F325 AromaticContact CH2-CG 3.35Å; W263-F325 HydrophobicContact CH2-CG 3.35Å; W263-F325 AromaticContact CH2-CZ 3.89Å; W263-F325 HydrophobicContact CH2-CZ 3.89Å; W263-F325 AromaticContact CZ2-CD2 3.65Å; W263-F325 HydrophobicContact CZ2-CD2 3.65Å; W263-F325 AromaticContact CZ2-CE2 3.86Å; W263-F325 HydrophobicContact CZ2-CE2 3.86Å; W263-F325 HydrophobicContact CZ2-CG 4.1Å; W263-F325 HydrophobicContact CZ2-CZ 4.47Å; W263-F325 AromaticContact CZ3-CD1 3.46Å; W263-F325 HydrophobicContact CZ3-CD1 3.46Å; W263-F325 VanDerWaalsContact CZ3-CD1 3.46Å; W263-F325 AromaticContact CZ3-CD2 3.73Å; W263-F325 HydrophobicContact CZ3-CD2 3.73Å; W263-F325 AromaticContact CZ3-CE1 3.29Å; W263-F325 HydrophobicContact CZ3-CE1 3.29Å; W263-F325 AromaticContact CZ3-CE2 3.54Å; W263-F325 HydrophobicContact CZ3-CE2 3.54Å; W263-F325 AromaticContact CZ3-CG 3.68Å; W263-F325 HydrophobicContact CZ3-CG 3.68Å; W263-F325 AromaticContact CZ3-CZ 3.32Å; W263-F325 HydrophobicContact CZ3-CZ 3.32Å; V274-F325 HydrophobicContact CB-CE1 4.44Å; V274-F325 HydrophobicContact CG1-CE1 4.37Å; V274-F325 HydrophobicContact CG1-CZ 4.2Å; H292-F325 HydrophobicContact CB-CD1 4.15Å; H292-F325 HydrophobicContact CB-CE1 4.02Å; H292-F325 AromaticContact CG-CD1 3.82Å; H292-F325 AromaticContact ND1-CD1 3.88Å; V305-F325 HydrophobicContact CG1-CE2 4.07Å; V305-F325 HydrophobicContact CG2-CE2 4Å; V305-F325 HydrophobicContact CG2-CZ 4.44Å; G308-F325 WeakPolarHBondContact O-CD2 3.32Å; G308-F325 PolarHBondContact O-N 2.85Å; I310-F325 HydrophobicContact CB-CE1 4.49Å; I310-F325 HydrophobicContact CB-CE2 3.64Å; I310-F325 HydrophobicContact CB-CZ 3.51Å; I310-F325 HydrophobicContact CD1-CZ 4.31Å; I310-F325 HydrophobicContact CG1-CZ 4.47Å; I310-F325 HydrophobicContact CG2-CE1 4.02Å; I310-F325 HydrophobicContact CG2-CE2 3.92Å; I310-F325 HydrophobicContact CG2-CZ 3.51Å; F323-F325 HydrophobicContact CD1-CD1 4.15Å; F323-F325 HydrophobicContact CD1-CE1 4.31Å; F323-F325 AromaticContact CE1-CD1 3.91Å; F323-F325 HydrophobicContact CE1-CD1 3.91Å; F323-F325 HydrophobicContact CE1-CE1 4.31Å; F325-S328 PolarHBondContact O-OG 2.92Å
326	K	94.4	Very high	97.6	Very high	199 Å²	199	55.3 Å²	55.3	87%	0.865	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-44.8	-177.9	-176.8	179.5	-179.9	178.2	0	111.2	D324	D324-K326 WeakPolarHBondContact OD1-CA 3.41Å; D324-K326 VanDerWaalsContact OD1-CB 3.27Å; D324-K326 WeakPolarHBondContact OD1-CB 3.36Å; D324-K326 PolarHBondContact OD1-N 2.89Å
327	T	96	Very high	97.4	Very high	82 Å²	82	55.1 Å²	55.1	50%	0.503	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.3	177.5	63.5	0	0	0	0	112.9	D324 T329	D324-T327 WeakPolarHBondContact CB-OG1 3.39Å; D324-T327 PolarHBondContact OD1-N 2.87Å; D324-T327 PolarHBondContact OD1-OG1 2.92Å; T327-T329 PolarHBondContact O-N 2.85Å; T327-T329 PolarHBondContact OG1-OG1 2.85Å
328	S	96.4	Very high	97.3	Very high	71 Å²	71	59.1 Å²	59.1	50%	0.497	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	38.2	-174.9	-67.1	0	0	0	0	113.1	F323 D324 F325	F323-S328 WeakPolarHBondContact CE2-O 3.48Å; F323-S328 VanDerWaalsContact CZ-C 3.46Å; F323-S328 VanDerWaalsContact CZ-CA 3.45Å; D324-S328 WeakPolarHBondContact O-CA 3.45Å; D324-S328 PolarHBondContact O-N 2.84Å; F325-S328 PolarHBondContact O-OG 2.92Å
329	T	96.9	Very high	97.3	Very high	74 Å²	74	58 Å²	58	45%	0.454	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.5	-177.8	55.8	0	0	0	0	112.6	F323 D324 T327 S331	F323-T329 WeakPolarHBondContact CA-O 3.5Å; F323-T329 WeakPolarHBondContact CD2-O 3.26Å; D324-T329 PolarHBondContact N-O 3.27Å; D324-T329 PolarHBondContact O-N 2.81Å; T327-T329 PolarHBondContact O-N 2.85Å; T327-T329 PolarHBondContact OG1-OG1 2.85Å; T329-S331 PolarHBondContact O-N 3.4Å
330	I	98.2	Very high	97.3	Very high	63 Å²	63	57.1 Å²	57.1	32%	0.323	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	106.5	168.4	-64.4	173.2	0	0	0	107.9	P295 I321 F323 K332	P295-I330 HydrophobicContact CB-CD1 4.08Å; P295-I330 HydrophobicContact CG-CD1 4.1Å; P295-I330 HydrophobicContact CG-CG1 4.05Å; I321-I330 HydrophobicContact CD1-CD1 4.44Å; I321-I330 HydrophobicContact CG2-CD1 4.22Å; I321-I330 HydrophobicContact CG2-CG1 3.93Å; I321-I330 HydrophobicContact CG2-CG2 3.97Å; F323-I330 HydrophobicContact CD2-CG1 4.39Å; I330-K332 WeakPolarHBondContact CG2-O 3.36Å
331	S	96.2	Very high	97.3	Very high	57 Å²	57	61.5 Å²	61.5	40%	0.399	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-35.9	175.1	-33.6	0	0	0	0	111	K322 D324 T329	K322-S331 PolarHBondContact O-N 2.8Å; D324-S331 VanDerWaalsContact CB-OG 3.31Å; D324-S331 WeakPolarHBondContact CB-OG 3.42Å; T329-S331 PolarHBondContact O-N 3.4Å
332	K	97.9	Very high	97.2	Very high	85 Å²	85	64.7 Å²	64.7	37%	0.37	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	149.8	177.7	-157	66	-174.4	175.2	0	112.7	K322 I330 L387	K322-K332 HydrophobicContact CB-CB 4.16Å; K322-K332 PolarHBondContact N-O 2.71Å; K322-K332 PolarHBondContact O-N 2.92Å; I330-K332 WeakPolarHBondContact CG2-O 3.36Å; K332-L387 HydrophobicContact CB-CD1 3.95Å; K332-L387 HydrophobicContact CB-CG 4.2Å; K332-L387 HydrophobicContact CG-CD1 3.99Å; K332-L387 HydrophobicContact CG-CG 4.06Å
333	S	98.1	Very high	97.1	Very high	61 Å²	61	66.2 Å²	66.2	43%	0.427	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.1	170.8	176.9	0	0	0	0	108.6	V319 I320	V319-S333 WeakPolarHBondContact CG1-OG 3.46Å; I320-S333 WeakPolarHBondContact O-CA 3.43Å
334	R	98.2	Very high	97.1	Very high	90 Å²	90	70.8 Å²	70.8	34%	0.34	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.9	178.6	-173.6	176.6	-77.4	-90.2	-2.6	111.3	V319 I320 T386 L387	V319-R334 CarbonylContact C-O 3.58Å; V319-R334 WeakPolarHBondContact CA-O 3.46Å; I320-R334 PolarHBondContact N-O 3.18Å; I320-R334 PolarHBondContact O-N 3.31Å; R334-T386 PolarHBondContact NE-O 2.77Å; R334-L387 HydrophobicContact CB-CB 3.77Å; R334-L387 HydrophobicContact CB-CD1 4.18Å; R334-L387 WeakPolarHBondContact CD-O 3.44Å
335	Q	97.8	Very high	97.2	Very high	107 Å²	107	69.8 Å²	69.8	50%	0.5	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	136.9	173.3	-164.7	168.2	10	0	0	110.1	H318 V319	H318-Q335 VanDerWaalsContact CE1-CD 3.44Å; H318-Q335 WeakPolarHBondContact CE1-CG 3.49Å; H318-Q335 PolarHBondContact CE1-NE2 3.4Å; H318-Q335 VanDerWaalsContact ND1-CG 3.35Å; H318-Q335 WeakPolarHBondContact ND1-CG 3.35Å; H318-Q335 PolarHBondContact NE2-NE2 3.2Å; V319-Q335 HydrophobicContact CG2-CB 4.42Å; V319-Q335 HydrophobicContact CG2-CG 4.47Å
336	L	97.3	Very high	97.3	Very high	3 Å²	3	71.3 Å²	71.3	2%	0.016	37%	0.369	C	S	.	.			trans	-89.8	112	173.5	-164.9	65.7	0	0	0	108	H318 I320 N338 A339 I355 A366 Y368 L382 I389	H318-L336 PolarHBondContact ND1-O 3.31Å; H318-L336 PolarHBondContact O-N 2.8Å; I320-L336 HydrophobicContact CD1-CB 4.31Å; I320-L336 HydrophobicContact CD1-CD1 3.97Å; I320-L336 HydrophobicContact CD1-CD2 4.19Å; I320-L336 HydrophobicContact CD1-CG 4.41Å; L336-N338 PolarHBondContact O-N 2.74Å; L336-A339 HydrophobicContact CB-CB 3.99Å; L336-A339 HydrophobicContact CD2-CB 3.84Å; L336-A339 HydrophobicContact CG-CB 3.96Å; L336-A339 PolarHBondContact O-N 3.45Å; L336-I355 HydrophobicContact CD2-CD1 4.18Å; L336-I355 HydrophobicContact CD2-CG1 4.26Å; L336-I355 HydrophobicContact CD2-CG2 3.94Å; L336-A366 HydrophobicContact CD1-CB 4.38Å; L336-A366 HydrophobicContact CD2-CB 4.16Å; L336-Y368 HydrophobicContact CD1-CE1 4.11Å; L336-Y368 HydrophobicContact CD2-CD1 3.46Å; L336-Y368 VanDerWaalsContact CD2-CD1 3.46Å; L336-Y368 HydrophobicContact CD2-CD2 4.02Å; L336-Y368 HydrophobicContact CD2-CE1 3.69Å; L336-Y368 HydrophobicContact CD2-CE2 4.19Å; L336-Y368 HydrophobicContact CD2-CG 3.62Å; L336-Y368 HydrophobicContact CG-CD1 4.28Å; L336-Y368 HydrophobicContact CG-CD2 4.47Å; L336-Y368 HydrophobicContact CG-CE1 4.02Å; L336-Y368 HydrophobicContact CG-CE2 4.19Å; L336-Y368 HydrophobicContact CG-CG 4.49Å; L336-L382 HydrophobicContact CD1-CD2 4.46Å; L336-I389 HydrophobicContact CD1-CD1 4.07Å; L336-I389 HydrophobicContact CD1-CG1 4.31Å
337	D	92.9	Very high	97.5	Very high	99 Å²	99	61.9 Å²	61.9	53%	0.529	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	128.3	-168.1	-63.9	-31.2	0	0	0	111.5	A339	D337-A339 PolarHBondContact O-N 2.92Å
338	N	96.4	Very high	97.6	Very high	102 Å²	102	59.6 Å²	59.6	55%	0.545	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	7.4	177.8	-53.7	-62.1	0	0	0	116.6	L336 G340 T370 Q372	L336-N338 PolarHBondContact O-N 2.74Å; N338-G340 PolarHBondContact O-N 3.36Å; N338-T370 HydrophobicContact CB-CG2 4.19Å; N338-T370 WeakPolarHBondContact O-CB 3.46Å; N338-T370 WeakPolarHBondContact O-CG2 3.05Å; N338-Q372 VanDerWaalsContact CG-NE2 3.34Å; N338-Q372 PolarHBondContact OD1-NE2 3.22Å
339	A	98.5	Very high	97.7	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.041	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-65.6	130.2	178	0	0	0	0	0	110.7	H318 L336 D337 I355 Y368	H318-A339 HydrophobicContact CB-CB 4.05Å; L336-A339 HydrophobicContact CB-CB 3.99Å; L336-A339 HydrophobicContact CD2-CB 3.84Å; L336-A339 HydrophobicContact CG-CB 3.96Å; L336-A339 PolarHBondContact O-N 3.45Å; D337-A339 PolarHBondContact O-N 2.92Å; A339-I355 HydrophobicContact CB-CD1 4.05Å; A339-I355 HydrophobicContact CB-CG1 4.31Å; A339-Y368 HydrophobicContact CB-CD2 3.38Å; A339-Y368 HydrophobicContact CB-CE2 3.84Å; A339-Y368 HydrophobicContact CB-CG 4.07Å
340	G	98.1	Very high	97.7	Very high	10 Å²	10	54.4 Å²	54.4	10%	0.103	28%	0.283	C	S	.	.			trans	-67	153	167	0	0	0	0	0	110.6	N338 D354 A369	N338-G340 PolarHBondContact O-N 3.36Å; G340-D354 WeakPolarHBondContact O-CB 3.3Å; G340-A369 PolarHBondContact N-O 3.15Å
341	Y	98.4	Very high	97.7	Very high	96 Å²	96	51.7 Å²	51.7	38%	0.376	27%	0.271	S	S	.	.			trans	-152.7	169.6	-178.7	63.4	-82.1	0	0	0	109.6	Q316 S317 H318 M344	Q316-Y341 VanDerWaalsContact O-CE2 3.28Å; Q316-Y341 WeakPolarHBondContact O-CE2 3.29Å; S317-Y341 VanDerWaalsContact CA-CD2 3.48Å; S317-Y341 WeakPolarHBondContact O-CB 3.33Å; H318-Y341 HydrophobicContact CB-CD1 3.78Å; H318-Y341 HydrophobicContact CB-CG 4.2Å; H318-Y341 AromaticContact CD2-CD1 3.42Å; H318-Y341 VanDerWaalsContact CD2-CD1 3.42Å; H318-Y341 WeakPolarHBondContact CD2-CD1 3.37Å; H318-Y341 AromaticContact CD2-CE1 3.28Å; H318-Y341 WeakPolarHBondContact CD2-CE1 3.32Å; H318-Y341 AromaticContact CG-CD1 3.86Å; H318-Y341 AromaticContact NE2-CE1 3.94Å; Y341-M344 WeakPolarHBondContact O-CB 3.07Å
342	N	97.3	Very high	97.8	Very high	69 Å²	69	49.8 Å²	49.8	37%	0.369	26%	0.256	S	S	.	.	S	Bend	trans	63	54.2	176.3	-166	47.4	0	0	0	112.7	M344 D354	N342-M344 VanDerWaalsContact C-N 3.26Å; N342-M344 PolarHBondContact O-N 3.31Å; N342-D354 PolarHBondContact N-OD2 2.84Å
343	N	97.8	Very high	97.8	Very high	62 Å²	62	45.9 Å²	45.9	33%	0.332	24%	0.239	S	C	.	.	S	Bend	trans	63.2	23	-177.8	-83	-23.3	0	0	0	114.5	H346 G351 H352 D354	N343-H346 VanDerWaalsContact C-ND1 3.28Å; N343-H346 PolarHBondContact O-CE1 3.05Å; N343-H346 PolarHBondContact O-ND1 3.34Å; N343-G351 PolarHBondContact OD1-N 2.99Å; N343-H352 PolarHBondContact ND2-CD2 2.88Å; N343-H352 PolarHBondContact ND2-NE2 3.31Å; N343-H352 VanDerWaalsContact OD1-CA 3.28Å; N343-H352 WeakPolarHBondContact OD1-CA 3.33Å; N343-H352 PolarHBondContact OD1-CD2 2.85Å; N343-H352 PolarHBondContact OD1-N 2.74Å; N343-D354 WeakPolarHBondContact CA-OD1 3.39Å; N343-D354 PolarHBondContact N-OD1 3Å; N343-D354 PolarHBondContact N-OD2 3.37Å
344	M	98.3	Very high	97.9	Very high	101 Å²	101	43 Å²	43	50%	0.498	22%	0.219	S	C	.	.	S	Bend	trans	-75.3	-48.8	173.8	-174.5	68.2	-179.5	0	0	111.9	Y341 N342 D354	Y341-M344 WeakPolarHBondContact O-CB 3.07Å; N342-M344 VanDerWaalsContact C-N 3.26Å; N342-M344 PolarHBondContact O-N 3.31Å; M344-D354 PolarHBondContact N-OD1 2.97Å
345	Y	98.6	Very high	97.9	Very high	14 Å²	14	38.8 Å²	38.8	6%	0.055	20%	0.203	C	C	.	.	S	Bend	trans	-131.2	47.7	-178.6	-57.9	-53.5	0	0	0	111.6	D354 A369 N371 K399	Y345-D354 PolarHBondContact N-OD1 3.29Å; Y345-A369 HydrophobicContact CD1-CB 4.44Å; Y345-A369 HydrophobicContact CD2-CB 3.89Å; Y345-A369 WeakPolarHBondContact CD2-O 3.48Å; Y345-A369 HydrophobicContact CG-CB 3.79Å; Y345-N371 WeakPolarHBondContact OH-CA 3.15Å; Y345-K399 VanDerWaalsContact O-CD 3.28Å; Y345-K399 WeakPolarHBondContact O-CD 3.27Å
346	H	98.6	Very high	98	Very high	47 Å²	47	33.9 Å²	33.9	22%	0.218	18%	0.18	C	C	.	.			trans	-59.5	158.2	170.6	49.1	-83.9	0	0	0	112	N343 D354 R400	N343-H346 VanDerWaalsContact C-ND1 3.28Å; N343-H346 PolarHBondContact O-CE1 3.05Å; N343-H346 PolarHBondContact O-ND1 3.34Å; H346-D354 PolarHBondContact N-OD1 2.78Å; H346-R400 VanDerWaalsContact O-CA 3.28Å; H346-R400 WeakPolarHBondContact O-CA 3.38Å; H346-R400 WeakPolarHBondContact O-CG 3.21Å
347	Y	98.8	Very high	98	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	18%	0.18	C	C	.	.			trans	-63.9	166.1	160.3	-69	-54.5	0	0	0	111	W349 G350 S353 D356 K399 A402 G403 E404 A405	Y347-W349 PolarHBondContact O-N 2.87Å; Y347-G350 PolarHBondContact O-N 3.3Å; Y347-S353 PolarHBondContact N-OG 3.5Å; Y347-D356 HydrophobicContact CE2-CB 4Å; Y347-D356 WeakPolarHBondContact CE2-OD2 3.21Å; Y347-D356 PolarHBondContact OH-OD2 2.81Å; Y347-K399 HydrophobicContact CD1-CG 3.87Å; Y347-K399 HydrophobicContact CE1-CD 4.4Å; Y347-K399 HydrophobicContact CE1-CG 3.9Å; Y347-K399 VanDerWaalsContact CZ-NZ 3.29Å; Y347-A402 HydrophobicContact CD1-CB 3.86Å; Y347-A402 HydrophobicContact CE1-CB 4.16Å; Y347-G403 WeakPolarHBondContact CB-O 3.42Å; Y347-E404 WeakPolarHBondContact CD2-OE1 3.36Å; Y347-E404 WeakPolarHBondContact CD2-OE2 3.49Å; Y347-E404 WeakPolarHBondContact CE2-OE2 3.24Å; Y347-A405 HydrophobicContact CE1-CB 4.21Å
348	A	98.4	Very high	98.3	Very high	34 Å²	34	29.1 Å²	29.1	28%	0.281	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.7	-172.4	0	0	0	0	0	114.8	R400 A402 Y418	A348-R400 WeakPolarHBondContact CA-O 3.42Å; A348-R400 WeakPolarHBondContact CB-O 3.31Å; A348-A402 VanDerWaalsContact CB-O 3.3Å; A348-A402 WeakPolarHBondContact CB-O 3.5Å; A348-A402 PolarHBondContact N-O 2.99Å; A348-Y418 VanDerWaalsContact C-CE1 3.49Å; A348-Y418 HydrophobicContact CB-CD1 3.78Å; A348-Y418 HydrophobicContact CB-CE1 4.01Å; A348-Y418 VanDerWaalsContact O-CE1 3.24Å; A348-Y418 WeakPolarHBondContact O-CE1 3.39Å
349	W	98.1	Very high	98.4	Very high	24 Å²	24	24.5 Å²	24.5	9%	0.091	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.9	176.6	67.4	-97	0	0	0	114.3	F246 Y268 T301 Y347 G351 G403 E404 Y418 S450	F246-W349 HydrophobicContact CD1-CE3 4.18Å; F246-W349 HydrophobicContact CD1-CZ3 4.01Å; F246-W349 HydrophobicContact CE1-CE3 4.33Å; F246-W349 HydrophobicContact CE1-CZ3 4.48Å; F246-W349 HydrophobicContact CG-CZ3 4.47Å; Y268-W349 HydrophobicContact CD1-CZ3 4.25Å; Y268-W349 HydrophobicContact CG-CZ3 4.46Å; T301-W349 HydrophobicContact CG2-CH2 4.01Å; T301-W349 HydrophobicContact CG2-CZ2 4.36Å; T301-W349 VanDerWaalsContact OG1-CZ2 3.31Å; T301-W349 WeakPolarHBondContact OG1-CZ2 3.23Å; Y347-W349 PolarHBondContact O-N 2.87Å; W349-G351 VanDerWaalsContact CZ3-CA 3.47Å; W349-G403 VanDerWaalsContact CD1-O 3.25Å; W349-E404 PolarHBondContact NE1-OE1 2.91Å; W349-Y418 HydrophobicContact CB-CD1 3.76Å; W349-Y418 HydrophobicContact CB-CD2 3.86Å; W349-Y418 HydrophobicContact CB-CE1 4.2Å; W349-Y418 HydrophobicContact CB-CE2 4.3Å; W349-Y418 HydrophobicContact CB-CG 3.57Å; W349-S450 VanDerWaalsContact CZ2-O 3.25Å; W349-S450 WeakPolarHBondContact CZ2-O 3.38Å
350	G	98.3	Very high	98.3	Very high	12 Å²	12	24.5 Å²	24.5	12%	0.124	13%	0.129	C	C	.	.			trans	85.5	-137.9	-179.3	0	0	0	0	0	113.9	Y347 H352 S353	Y347-G350 PolarHBondContact O-N 3.3Å; G350-H352 PolarHBondContact O-N 2.95Å; G350-S353 WeakPolarHBondContact O-CB 3.27Å; G350-S353 PolarHBondContact O-OG 3.03Å
351	G	97.6	Very high	97.9	Very high	7 Å²	7	24.6 Å²	24.6	7%	0.072	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	34.8	169.5	0	0	0	0	0	116.9	Y268 G300 N343 W349 S353	Y268-G351 WeakPolarHBondContact CB-O 3.5Å; Y268-G351 VanDerWaalsContact CD2-CA 3.45Å; Y268-G351 WeakPolarHBondContact CD2-O 3.37Å; G300-G351 VanDerWaalsContact CA-O 3.31Å; G300-G351 WeakPolarHBondContact CA-O 3.43Å; N343-G351 PolarHBondContact OD1-N 2.99Å; W349-G351 VanDerWaalsContact CZ3-CA 3.47Å; G351-S353 PolarHBondContact O-N 2.89Å
352	H	98.3	Very high	97.4	Very high	17 Å²	17	21.3 Å²	21.3	8%	0.079	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	26.9	174.2	-57.5	-149.1	0	0	0	112.4	H269 G300 N343 G350 D354	H269-H352 AromaticContact CD2-CE1 3.62Å; H269-H352 AromaticContact CD2-NE2 3.95Å; G300-H352 WeakPolarHBondContact CA-O 3.28Å; G300-H352 PolarHBondContact N-O 3.43Å; N343-H352 PolarHBondContact ND2-CD2 2.88Å; N343-H352 PolarHBondContact ND2-NE2 3.31Å; N343-H352 VanDerWaalsContact OD1-CA 3.28Å; N343-H352 WeakPolarHBondContact OD1-CA 3.33Å; N343-H352 PolarHBondContact OD1-CD2 2.85Å; N343-H352 PolarHBondContact OD1-N 2.74Å; G350-H352 PolarHBondContact O-N 2.95Å; H352-D354 PolarHBondContact O-N 3.31Å
353	S	98.7	Very high	97.2	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.021	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	35.6	178.4	56.3	0	0	0	0	112.4	Y347 G350 G351 K399	Y347-S353 PolarHBondContact N-OG 3.5Å; G350-S353 WeakPolarHBondContact O-CB 3.27Å; G350-S353 PolarHBondContact O-OG 3.03Å; G351-S353 PolarHBondContact O-N 2.89Å; S353-K399 PolarHBondContact O-NZ 3.4Å
354	D	98.8	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-38.3	-174	-56.3	-91	0	0	0	112.5	G340 N342 N343 M344 Y345 H346 H352 Y368 K399	G340-D354 WeakPolarHBondContact O-CB 3.3Å; N342-D354 PolarHBondContact N-OD2 2.84Å; N343-D354 WeakPolarHBondContact CA-OD1 3.39Å; N343-D354 PolarHBondContact N-OD1 3Å; N343-D354 PolarHBondContact N-OD2 3.37Å; M344-D354 PolarHBondContact N-OD1 2.97Å; Y345-D354 PolarHBondContact N-OD1 3.29Å; H346-D354 PolarHBondContact N-OD1 2.78Å; H352-D354 PolarHBondContact O-N 3.31Å; D354-Y368 WeakPolarHBondContact O-CA 2.98Å; D354-K399 VanDerWaalsContact O-CE 3.29Å; D354-K399 WeakPolarHBondContact O-CE 3.44Å
355	I	98.9	Very high	97.3	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	7%	0.072	C	C	.	.	S	Bend	trans	-121.4	125.1	-178.7	-61.3	170	0	0	0	107.8	N313 H318 L336 A339 L357	N313-I355 HydrophobicContact CB-CB 4.25Å; N313-I355 HydrophobicContact CB-CG2 4.45Å; H318-I355 HydrophobicContact CB-CD1 3.8Å; L336-I355 HydrophobicContact CD2-CD1 4.18Å; L336-I355 HydrophobicContact CD2-CG1 4.26Å; L336-I355 HydrophobicContact CD2-CG2 3.94Å; A339-I355 HydrophobicContact CB-CD1 4.05Å; A339-I355 HydrophobicContact CB-CG1 4.31Å; I355-L357 HydrophobicContact CG2-CD2 4.22Å
356	D	98.9	Very high	97.3	Very high	5 Å²	5	10.5 Å²	10.5	3%	0.027	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.5	-174.2	-174.1	20.1	0	0	0	109.8	G302 Y347 M358 A366 V367	G302-D356 WeakPolarHBondContact CA-OD1 3.47Å; Y347-D356 HydrophobicContact CE2-CB 4Å; Y347-D356 WeakPolarHBondContact CE2-OD2 3.21Å; Y347-D356 PolarHBondContact OH-OD2 2.81Å; D356-M358 HydrophobicContact CB-CE 4.26Å; D356-M358 WeakPolarHBondContact OD2-CE 3.22Å; D356-A366 CarbonylContact O-C 3.59Å; D356-A366 WeakPolarHBondContact O-CA 3.42Å; D356-V367 HydrophobicContact CB-CB 4.3Å; D356-V367 PolarHBondContact N-O 3.47Å; D356-V367 PolarHBondContact O-N 2.94Å
357	L	98.9	Very high	97.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.4	-175.3	-55.4	174.2	0	0	0	108.9	G302 V304 I320 I355 W365 A366 L382	G302-L357 WeakPolarHBondContact O-CB 3.05Å; G302-L357 PolarHBondContact O-N 2.87Å; V304-L357 HydrophobicContact CG1-CB 3.9Å; I320-L357 HydrophobicContact CD1-CD2 3.7Å; I320-L357 HydrophobicContact CG1-CD1 4.44Å; I320-L357 HydrophobicContact CG1-CD2 4.16Å; I320-L357 HydrophobicContact CG2-CD1 3.81Å; I355-L357 HydrophobicContact CG2-CD2 4.22Å; L357-W365 WeakPolarHBondContact CA-O 3.33Å; L357-A366 HydrophobicContact CD2-CB 3.69Å; L357-L382 HydrophobicContact CD2-CD1 4.41Å
358	M	98.5	Very high	97.3	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.9	-173.5	59.5	-167.3	66.1	0	0	111.3	D356 W365 V367 M407	D356-M358 HydrophobicContact CB-CE 4.26Å; D356-M358 WeakPolarHBondContact OD2-CE 3.22Å; M358-W365 HydrophobicContact CG-CB 3.99Å; M358-W365 PolarHBondContact N-O 3.49Å; M358-W365 VanDerWaalsContact N-O 3.09Å; M358-W365 PolarHBondContact O-N 2.94Å; M358-V367 HydrophobicContact CE-CB 3.79Å; M358-V367 HydrophobicContact CE-CG2 3.42Å; M358-V367 VanDerWaalsContact CE-CG2 3.42Å; M358-V367 HydrophobicContact SD-CG2 3.63Å; M358-M407 HydrophobicContact CG-CB 4.18Å; M358-M407 HydrophobicContact CG-CG 3.94Å; M358-M407 HydrophobicContact SD-CB 3.79Å; M358-M407 HydrophobicContact SD-CG 3.29Å; M358-M407 WeakPolarHBondContact SD-CG 3.43Å; M358-M407 PolarHBondContact SD-N 3.15Å; M358-M407 VanDerWaalsContact SD-N 3.42Å
359	V	98.3	Very high	97.3	Very high	5 Å²	5	7 Å²	7	3%	0.03	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.2	-180	171.5	0	0	0	0	109.9	P253 V304 Y306 G363 L364 P456	P253-V359 HydrophobicContact CG-CB 4.4Å; P253-V359 HydrophobicContact CG-CG1 3.82Å; V304-V359 HydrophobicContact CG1-CG2 4.2Å; V304-V359 HydrophobicContact CG2-CB 4.18Å; V304-V359 HydrophobicContact CG2-CG2 3.66Å; Y306-V359 HydrophobicContact CD1-CG2 4.46Å; Y306-V359 HydrophobicContact CD2-CB 4.39Å; Y306-V359 HydrophobicContact CD2-CG1 3.73Å; Y306-V359 HydrophobicContact CD2-CG2 3.85Å; Y306-V359 HydrophobicContact CE2-CG1 3.69Å; Y306-V359 HydrophobicContact CE2-CG2 4.46Å; Y306-V359 HydrophobicContact CG-CG1 4.5Å; Y306-V359 HydrophobicContact CG-CG2 3.84Å; V359-G363 VanDerWaalsContact CA-O 3.31Å; V359-G363 WeakPolarHBondContact CA-O 3.42Å; V359-L364 HydrophobicContact CG2-CD1 3.87Å; V359-P456 HydrophobicContact CG1-CG 4.2Å
360	D	96.1	Very high	97.3	Very high	4 Å²	4	6.4 Å²	6.4	2%	0.021	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	-169.3	169	78.4	-9	0	0	0	110.1	G362 G363 W365 M407 C409 G410 Y454	D360-G362 PolarHBondContact O-N 3.1Å; D360-G362 VanDerWaalsContact O-N 3.13Å; D360-G362 WeakPolarHBondContact OD1-CA 3.35Å; D360-G362 PolarHBondContact OD1-N 3.32Å; D360-G363 PolarHBondContact N-O 2.82Å; D360-G363 VanDerWaalsContact N-O 3.12Å; D360-G363 PolarHBondContact O-N 2.97Å; D360-G363 PolarHBondContact OD1-N 3.05Å; D360-W365 PolarHBondContact OD1-NE1 2.79Å; D360-M407 HydrophobicContact CB-CB 4.15Å; D360-C409 PolarHBondContact OD2-N 2.88Å; D360-G410 WeakPolarHBondContact OD2-CA 3.45Å; D360-G410 PolarHBondContact OD2-N 3.07Å; D360-Y454 HydrophobicContact CB-CD1 4.4Å
361	E	89.9	Confident	97.3	Very high	13 Å²	13	11.5 Å²	11.5	6%	0.061	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.3	177.5	-59.3	84	177.5	0	0	113.6	Q223 K224 C227 C409 Y454 P456	Q223-E361 HydrophobicContact CB-CB 4.41Å; Q223-E361 HydrophobicContact CB-CG 3.89Å; K224-E361 WeakPolarHBondContact CE-O 3.36Å; K224-E361 HydrophobicContact CG-CB 4.27Å; C227-E361 VanDerWaalsContact SG-CD 3.54Å; C227-E361 VanDerWaalsContact SG-CG 3.55Å; E361-C409 WeakPolarHBondContact OE2-CA 3.41Å; E361-C409 PolarHBondContact OE2-N 2.72Å; E361-C409 PolarHBondContact OE2-SG 2.77Å; E361-Y454 VanDerWaalsContact OE1-CE1 3.28Å; E361-Y454 WeakPolarHBondContact OE1-CE1 3.45Å; E361-Y454 PolarHBondContact OE1-OH 3.33Å; E361-P456 HydrophobicContact CG-CB 3.98Å
362	G	87.6	Confident	97.3	Very high	27 Å²	27	17.2 Å²	17.2	28%	0.278	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-11.6	176.3	0	0	0	0	0	114.7	D360 K381	D360-G362 PolarHBondContact O-N 3.1Å; D360-G362 VanDerWaalsContact O-N 3.13Å; D360-G362 WeakPolarHBondContact OD1-CA 3.35Å; D360-G362 PolarHBondContact OD1-N 3.32Å; G362-K381 WeakPolarHBondContact O-CE 3.48Å; G362-K381 PolarHBondContact O-NZ 3.35Å
363	G	94	Very high	97.3	Very high	11 Å²	11	17.8 Å²	17.8	11%	0.113	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.6	-146.5	176.7	0	0	0	0	0	113.9	V359 D360 W365	V359-G363 VanDerWaalsContact CA-O 3.31Å; V359-G363 WeakPolarHBondContact CA-O 3.42Å; D360-G363 PolarHBondContact N-O 2.82Å; D360-G363 VanDerWaalsContact N-O 3.12Å; D360-G363 PolarHBondContact O-N 2.97Å; D360-G363 PolarHBondContact OD1-N 3.05Å; G363-W365 PolarHBondContact O-NE1 3.1Å
364	L	98.6	Very high	97.3	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.6	-175	-177.2	67.5	0	0	0	112.2	V304 Y311 V359 L382 P384 L387	V304-L364 HydrophobicContact CG1-CD1 3.59Å; Y311-L364 HydrophobicContact CD1-CD2 3.56Å; Y311-L364 HydrophobicContact CE1-CD2 3.54Å; Y311-L364 HydrophobicContact CG-CD1 4.46Å; Y311-L364 HydrophobicContact CG-CD2 4.15Å; V359-L364 HydrophobicContact CG2-CD1 3.87Å; L364-L382 HydrophobicContact CD2-CB 4.08Å; L364-L382 HydrophobicContact CD2-CD1 4.34Å; L364-L382 HydrophobicContact CG-CB 4.19Å; L364-L382 HydrophobicContact CG-CD1 4.5Å; L364-L382 PolarHBondContact O-N 2.85Å; L364-P384 HydrophobicContact CB-CG 4.02Å; L364-P384 HydrophobicContact CD2-CB 4.46Å; L364-L387 HydrophobicContact CD2-CD2 4.42Å
365	W	98.8	Very high	97.2	Very high	5 Å²	5	22 Å²	22	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.7	179.2	-55.3	87.5	0	0	0	111.7	L357 M358 D360 G363 I379 S380 K381 W393 M407 T430	L357-W365 WeakPolarHBondContact CA-O 3.33Å; M358-W365 HydrophobicContact CG-CB 3.99Å; M358-W365 PolarHBondContact N-O 3.49Å; M358-W365 VanDerWaalsContact N-O 3.09Å; M358-W365 PolarHBondContact O-N 2.94Å; D360-W365 PolarHBondContact OD1-NE1 2.79Å; G363-W365 PolarHBondContact O-NE1 3.1Å; W365-I379 HydrophobicContact CE3-CG2 3.73Å; W365-I379 HydrophobicContact CZ3-CG2 4.15Å; W365-S380 CarbonylContact C-O 3.54Å; W365-S380 WeakPolarHBondContact CA-O 3.26Å; W365-K381 HydrophobicContact CD2-CB 4.4Å; W365-K381 HydrophobicContact CD2-CG 4.38Å; W365-K381 HydrophobicContact CE3-CB 3.72Å; W365-K381 HydrophobicContact CE3-CG 4.16Å; W365-K381 HydrophobicContact CH2-CB 4.16Å; W365-K381 HydrophobicContact CH2-CD 3.85Å; W365-K381 HydrophobicContact CH2-CG 4.2Å; W365-K381 HydrophobicContact CZ2-CD 4.04Å; W365-K381 HydrophobicContact CZ2-CG 4.36Å; W365-K381 HydrophobicContact CZ3-CB 3.61Å; W365-K381 HydrophobicContact CZ3-CD 4.2Å; W365-K381 HydrophobicContact CZ3-CG 4.09Å; W365-W393 HydrophobicContact CE3-CZ3 4.37Å; W365-W393 HydrophobicContact CH2-CH2 4.17Å; W365-W393 HydrophobicContact CH2-CZ3 4.33Å; W365-W393 HydrophobicContact CZ3-CE3 4.25Å; W365-W393 AromaticContact CZ3-CH2 3.8Å; W365-W393 HydrophobicContact CZ3-CH2 3.8Å; W365-W393 AromaticContact CZ3-CZ3 3.51Å; W365-W393 HydrophobicContact CZ3-CZ3 3.51Å; W365-M407 HydrophobicContact CB-CG 4.47Å; W365-M407 HydrophobicContact CD2-CE 3.74Å; W365-M407 HydrophobicContact CE3-CE 3.88Å; W365-M407 HydrophobicContact CG-CE 4.26Å; W365-M407 HydrophobicContact CG-CG 4.34Å; W365-M407 HydrophobicContact CH2-CE 4.02Å; W365-M407 HydrophobicContact CZ2-CE 3.93Å; W365-M407 HydrophobicContact CZ3-CE 3.99Å; W365-T430 HydrophobicContact CH2-CG2 4.42Å; W365-T430 HydrophobicContact CZ3-CG2 4.15Å
366	A	98.8	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.2	166.5	0	0	0	0	0	110	I320 L336 D356 L357 Y368 I379 S380 L382	I320-A366 HydrophobicContact CD1-CB 4.4Å; L336-A366 HydrophobicContact CD1-CB 4.38Å; L336-A366 HydrophobicContact CD2-CB 4.16Å; D356-A366 CarbonylContact O-C 3.59Å; D356-A366 WeakPolarHBondContact O-CA 3.42Å; L357-A366 HydrophobicContact CD2-CB 3.69Å; A366-Y368 HydrophobicContact CB-CD1 4.26Å; A366-Y368 HydrophobicContact CB-CE1 4.45Å; A366-I379 CarbonylContact O-C 3.58Å; A366-I379 WeakPolarHBondContact O-CA 3.19Å; A366-S380 PolarHBondContact N-O 2.86Å; A366-S380 PolarHBondContact O-N 3.01Å; A366-L382 HydrophobicContact CB-CD1 3.9Å; A366-L382 HydrophobicContact CB-CG 4.28Å
367	V	98.9	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.1	175.4	177.4	0	0	0	0	108.1	D356 M358 I377 L412	D356-V367 HydrophobicContact CB-CB 4.3Å; D356-V367 PolarHBondContact N-O 3.47Å; D356-V367 PolarHBondContact O-N 2.94Å; M358-V367 HydrophobicContact CE-CB 3.79Å; M358-V367 HydrophobicContact CE-CG2 3.42Å; M358-V367 VanDerWaalsContact CE-CG2 3.42Å; M358-V367 HydrophobicContact SD-CG2 3.63Å; V367-I377 HydrophobicContact CG1-CG2 3.63Å; V367-L412 HydrophobicContact CG1-CD1 4.34Å; V367-L412 HydrophobicContact CG2-CD1 3.79Å
368	Y	98.9	Very high	97.2	Very high	8 Å²	8	23.6 Å²	23.6	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	-172.1	-174.6	60.8	-76.1	0	0	0	109.5	L336 A339 D354 A366 T370 I377 V378 S380	L336-Y368 HydrophobicContact CD1-CE1 4.11Å; L336-Y368 HydrophobicContact CD2-CD1 3.46Å; L336-Y368 VanDerWaalsContact CD2-CD1 3.46Å; L336-Y368 HydrophobicContact CD2-CD2 4.02Å; L336-Y368 HydrophobicContact CD2-CE1 3.69Å; L336-Y368 HydrophobicContact CD2-CE2 4.19Å; L336-Y368 HydrophobicContact CD2-CG 3.62Å; L336-Y368 HydrophobicContact CG-CD1 4.28Å; L336-Y368 HydrophobicContact CG-CD2 4.47Å; L336-Y368 HydrophobicContact CG-CE1 4.02Å; L336-Y368 HydrophobicContact CG-CE2 4.19Å; L336-Y368 HydrophobicContact CG-CG 4.49Å; A339-Y368 HydrophobicContact CB-CD2 3.38Å; A339-Y368 HydrophobicContact CB-CE2 3.84Å; A339-Y368 HydrophobicContact CB-CG 4.07Å; D354-Y368 WeakPolarHBondContact O-CA 2.98Å; A366-Y368 HydrophobicContact CB-CD1 4.26Å; A366-Y368 HydrophobicContact CB-CE1 4.45Å; Y368-T370 HydrophobicContact CD2-CG2 3.88Å; Y368-T370 HydrophobicContact CE2-CG2 3.54Å; Y368-I377 CarbonylContact O-C 3.58Å; Y368-I377 WeakPolarHBondContact O-CA 3.28Å; Y368-V378 HydrophobicContact CD2-CB 4.38Å; Y368-V378 HydrophobicContact CE1-CB 4.33Å; Y368-V378 HydrophobicContact CE1-CG1 4Å; Y368-V378 HydrophobicContact CE2-CB 4.17Å; Y368-V378 HydrophobicContact CE2-CG1 4.07Å; Y368-V378 PolarHBondContact N-O 3.22Å; Y368-V378 PolarHBondContact O-N 3Å; Y368-S380 WeakPolarHBondContact CE1-OG 3.49Å; Y368-S380 PolarHBondContact OH-OG 2.74Å
369	A	98.8	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160	168.9	0	0	0	0	0	111	G340 Y345 N376 K399	G340-A369 PolarHBondContact N-O 3.15Å; Y345-A369 HydrophobicContact CD1-CB 4.44Å; Y345-A369 HydrophobicContact CD2-CB 3.89Å; Y345-A369 WeakPolarHBondContact CD2-O 3.48Å; Y345-A369 HydrophobicContact CG-CB 3.79Å; A369-N376 WeakPolarHBondContact CB-O 3.29Å; A369-K399 HydrophobicContact CB-CB 4.04Å; A369-K399 HydrophobicContact CB-CD 4.15Å
370	T	98.6	Very high	97.2	Very high	12 Å²	12	23.3 Å²	23.3	7%	0.074	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-130.1	156.9	-177.4	70.3	0	0	0	0	110.3	N338 Y368 Q372 N373 A374 G375 V378	N338-T370 HydrophobicContact CB-CG2 4.19Å; N338-T370 WeakPolarHBondContact O-CB 3.46Å; N338-T370 WeakPolarHBondContact O-CG2 3.05Å; Y368-T370 HydrophobicContact CD2-CG2 3.88Å; Y368-T370 HydrophobicContact CE2-CG2 3.54Å; T370-Q372 VanDerWaalsContact C-N 3.25Å; T370-Q372 PolarHBondContact O-N 3.38Å; T370-N373 PolarHBondContact O-N 3.3Å; T370-N373 PolarHBondContact OG1-N 2.83Å; T370-N373 VanDerWaalsContact OG1-N 3.13Å; T370-A374 PolarHBondContact O-N 2.65Å; T370-G375 PolarHBondContact O-N 3.48Å; T370-V378 HydrophobicContact CG2-CG2 4.12Å
371	N	98.1	Very high	97.4	Very high	120 Å²	120	25.9 Å²	25.9	64%	0.642	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.2	173.4	-171.5	59.7	0	0	0	111.6	Y345 N373 A374	Y345-N371 WeakPolarHBondContact OH-CA 3.15Å; N371-N373 VanDerWaalsContact C-N 3.27Å; N371-N373 PolarHBondContact O-N 3Å; N371-A374 PolarHBondContact O-N 3.11Å
372	Q	97.2	Very high	97.8	Very high	127 Å²	127	25.4 Å²	25.4	59%	0.593	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-33	178.3	-63.3	83.7	-8.7	0	0	112.2	N338 T370 A374	N338-Q372 VanDerWaalsContact CG-NE2 3.34Å; N338-Q372 PolarHBondContact OD1-NE2 3.22Å; T370-Q372 VanDerWaalsContact C-N 3.25Å; T370-Q372 PolarHBondContact O-N 3.38Å; Q372-A374 VanDerWaalsContact C-N 3.3Å
373	N	98.1	Very high	98.3	Very high	29 Å²	29	26.7 Å²	26.7	16%	0.155	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	23.9	173.6	-160.1	30.9	0	0	0	112.6	T370 N371 G375 N376 I377 V378 T394 T395	T370-N373 PolarHBondContact O-N 3.3Å; T370-N373 PolarHBondContact OG1-N 2.83Å; T370-N373 VanDerWaalsContact OG1-N 3.13Å; N371-N373 VanDerWaalsContact C-N 3.27Å; N371-N373 PolarHBondContact O-N 3Å; N373-G375 PolarHBondContact O-N 2.96Å; N373-G375 VanDerWaalsContact O-N 3.08Å; N373-N376 WeakPolarHBondContact ND2-CB 3.11Å; N373-N376 PolarHBondContact ND2-O 3.05Å; N373-N376 VanDerWaalsContact O-CB 3.26Å; N373-N376 WeakPolarHBondContact O-CB 3.33Å; N373-N376 PolarHBondContact O-N 2.81Å; N373-N376 PolarHBondContact O-ND2 3.23Å; N373-I377 PolarHBondContact ND2-O 2.8Å; N373-V378 HydrophobicContact CB-CG2 3.92Å; N373-T394 HydrophobicContact CB-CG2 4.39Å; N373-T395 PolarHBondContact ND2-O 3.01Å; N373-T395 VanDerWaalsContact ND2-O 3.07Å
374	A	98.1	Very high	98.4	Very high	82 Å²	82	27.7 Å²	27.7	68%	0.678	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	31.5	178.5	0	0	0	0	0	114.9	T370 N371 Q372 N376	T370-A374 PolarHBondContact O-N 2.65Å; N371-A374 PolarHBondContact O-N 3.11Å; Q372-A374 VanDerWaalsContact C-N 3.3Å; A374-N376 PolarHBondContact O-N 3.4Å
375	G	97.9	Very high	98.2	Very high	9 Å²	9	31.5 Å²	31.5	9%	0.093	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	8.7	-177.4	0	0	0	0	0	114.9	T370 N373 K399	T370-G375 PolarHBondContact O-N 3.48Å; N373-G375 PolarHBondContact O-N 2.96Å; N373-G375 VanDerWaalsContact O-N 3.08Å; G375-K399 PolarHBondContact O-N 2.82Å; G375-K399 VanDerWaalsContact O-N 3.11Å
376	N	98.7	Very high	98.1	Very high	33 Å²	33	33.5 Å²	33.5	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	152.1	168.6	-63.1	-32.8	0	0	0	111.1	A369 N373 A374 V378 T395 H397 P398	A369-N376 WeakPolarHBondContact CB-O 3.29Å; N373-N376 WeakPolarHBondContact ND2-CB 3.11Å; N373-N376 PolarHBondContact ND2-O 3.05Å; N373-N376 VanDerWaalsContact O-CB 3.26Å; N373-N376 WeakPolarHBondContact O-CB 3.33Å; N373-N376 PolarHBondContact O-N 2.81Å; N373-N376 PolarHBondContact O-ND2 3.23Å; A374-N376 PolarHBondContact O-N 3.4Å; N376-V378 PolarHBondContact O-N 2.77Å; N376-T395 WeakPolarHBondContact CB-O 3.47Å; N376-H397 CarbonylContact C-O 3.59Å; N376-H397 WeakPolarHBondContact CA-O 3.19Å; N376-P398 WeakPolarHBondContact OD1-CA 3.44Å
377	I	98.9	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	134.9	-178.3	-66.9	167.8	0	0	0	110.1	V367 Y368 N373 I379 T395 H397 K399 A402 L412 V414	V367-I377 HydrophobicContact CG1-CG2 3.63Å; Y368-I377 CarbonylContact O-C 3.58Å; Y368-I377 WeakPolarHBondContact O-CA 3.28Å; N373-I377 PolarHBondContact ND2-O 2.8Å; I377-I379 HydrophobicContact CG2-CG1 4.28Å; I377-T395 HydrophobicContact CB-CG2 4.3Å; I377-T395 WeakPolarHBondContact CB-OG1 3.44Å; I377-T395 HydrophobicContact CG2-CG2 4.18Å; I377-T395 PolarHBondContact N-OG1 3.39Å; I377-T395 WeakPolarHBondContact O-CB 3.22Å; I377-T395 WeakPolarHBondContact O-CG2 3.46Å; I377-T395 PolarHBondContact O-N 3Å; I377-T395 PolarHBondContact O-OG1 3.09Å; I377-H397 HydrophobicContact CD1-CB 4.43Å; I377-H397 PolarHBondContact N-O 3.33Å; I377-K399 HydrophobicContact CG1-CB 3.67Å; I377-K399 HydrophobicContact CG1-CD 4.33Å; I377-K399 HydrophobicContact CG1-CG 3.89Å; I377-A402 HydrophobicContact CD1-CB 4.31Å; I377-L412 HydrophobicContact CD1-CD2 4.43Å; I377-L412 HydrophobicContact CG2-CD2 3.71Å; I377-V414 HydrophobicContact CD1-CG1 4.38Å; I377-V414 HydrophobicContact CD1-CG2 3.99Å
378	V	98.9	Very high	98	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.042	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.2	169.7	178.6	0	0	0	0	107.3	Y368 T370 N373 N376 W393 T394	Y368-V378 HydrophobicContact CD2-CB 4.38Å; Y368-V378 HydrophobicContact CE1-CB 4.33Å; Y368-V378 HydrophobicContact CE1-CG1 4Å; Y368-V378 HydrophobicContact CE2-CB 4.17Å; Y368-V378 HydrophobicContact CE2-CG1 4.07Å; Y368-V378 PolarHBondContact N-O 3.22Å; Y368-V378 PolarHBondContact O-N 3Å; T370-V378 HydrophobicContact CG2-CG2 4.12Å; N373-V378 HydrophobicContact CB-CG2 3.92Å; N376-V378 PolarHBondContact O-N 2.77Å; V378-W393 WeakPolarHBondContact CA-O 2.91Å; V378-T394 HydrophobicContact CG2-CG2 4.35Å
379	I	98.8	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.6	176.9	-51.9	161.6	0	0	0	106.8	W365 A366 I377 S392 W393 T395 M407 L412 Y428 T430	W365-I379 HydrophobicContact CE3-CG2 3.73Å; W365-I379 HydrophobicContact CZ3-CG2 4.15Å; A366-I379 CarbonylContact O-C 3.58Å; A366-I379 WeakPolarHBondContact O-CA 3.19Å; I377-I379 HydrophobicContact CG2-CG1 4.28Å; I379-S392 CarbonylContact O-C 3.55Å; I379-S392 WeakPolarHBondContact O-CA 3.42Å; I379-W393 HydrophobicContact CB-CB 4.46Å; I379-W393 PolarHBondContact N-O 2.88Å; I379-W393 PolarHBondContact O-N 3.13Å; I379-T395 HydrophobicContact CD1-CG2 3.88Å; I379-T395 HydrophobicContact CG1-CG2 4.2Å; I379-M407 HydrophobicContact CG2-CE 4.38Å; I379-M407 HydrophobicContact CG2-SD 4.3Å; I379-L412 HydrophobicContact CD1-CB 3.64Å; I379-L412 HydrophobicContact CD1-CD2 3.75Å; I379-L412 HydrophobicContact CD1-CG 4.22Å; I379-L412 HydrophobicContact CG1-CB 4.44Å; I379-L412 HydrophobicContact CG1-CD2 3.92Å; I379-Y428 HydrophobicContact CD1-CD1 3.66Å; I379-Y428 HydrophobicContact CD1-CE1 4.24Å; I379-Y428 HydrophobicContact CD1-CG 4.32Å; I379-T430 HydrophobicContact CD1-CG2 4.03Å; I379-T430 HydrophobicContact CG2-CG2 4.27Å
380	S	98.8	Very high	97.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.6	173	-73.2	0	0	0	0	110.8	W365 A366 Y368 K391 S392	W365-S380 CarbonylContact C-O 3.54Å; W365-S380 WeakPolarHBondContact CA-O 3.26Å; A366-S380 PolarHBondContact N-O 2.86Å; A366-S380 PolarHBondContact O-N 3.01Å; Y368-S380 WeakPolarHBondContact CE1-OG 3.49Å; Y368-S380 PolarHBondContact OH-OG 2.74Å; S380-K391 CarbonylContact C-O 3.56Å; S380-K391 WeakPolarHBondContact CA-O 3.36Å; S380-S392 PolarHBondContact OG-OG 3.43Å
381	K	98.5	Very high	97.8	Very high	59 Å²	59	50.2 Å²	50.2	26%	0.257	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.2	170.3	-169.5	167.7	-173	157.7	0	109	G362 W365 I390 K391 W393	G362-K381 WeakPolarHBondContact O-CE 3.48Å; G362-K381 PolarHBondContact O-NZ 3.35Å; W365-K381 HydrophobicContact CD2-CB 4.4Å; W365-K381 HydrophobicContact CD2-CG 4.38Å; W365-K381 HydrophobicContact CE3-CB 3.72Å; W365-K381 HydrophobicContact CE3-CG 4.16Å; W365-K381 HydrophobicContact CH2-CB 4.16Å; W365-K381 HydrophobicContact CH2-CD 3.85Å; W365-K381 HydrophobicContact CH2-CG 4.2Å; W365-K381 HydrophobicContact CZ2-CD 4.04Å; W365-K381 HydrophobicContact CZ2-CG 4.36Å; W365-K381 HydrophobicContact CZ3-CB 3.61Å; W365-K381 HydrophobicContact CZ3-CD 4.2Å; W365-K381 HydrophobicContact CZ3-CG 4.09Å; K381-I390 HydrophobicContact CB-CB 4.41Å; K381-I390 HydrophobicContact CG-CD1 4.34Å; K381-I390 PolarHBondContact O-N 3.31Å; K381-K391 PolarHBondContact N-O 2.9Å; K381-W393 HydrophobicContact CB-CH2 4.2Å; K381-W393 HydrophobicContact CB-CZ3 3.93Å
382	L	98.5	Very high	97.8	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144	-177.2	-59.1	-175.1	0	0	0	111.3	I320 L336 L357 L364 A366 P384 Q388 I389	I320-L382 HydrophobicContact CD1-CD1 3.71Å; L336-L382 HydrophobicContact CD1-CD2 4.46Å; L357-L382 HydrophobicContact CD2-CD1 4.41Å; L364-L382 HydrophobicContact CD2-CB 4.08Å; L364-L382 HydrophobicContact CD2-CD1 4.34Å; L364-L382 HydrophobicContact CG-CB 4.19Å; L364-L382 HydrophobicContact CG-CD1 4.5Å; L364-L382 PolarHBondContact O-N 2.85Å; A366-L382 HydrophobicContact CB-CD1 3.9Å; A366-L382 HydrophobicContact CB-CG 4.28Å; L382-P384 WeakPolarHBondContact O-CD 3.45Å; L382-Q388 WeakPolarHBondContact CA-O 3.48Å; L382-I389 HydrophobicContact CD2-CB 4.5Å; L382-I389 HydrophobicContact CD2-CG1 3.82Å
383	N	97.8	Very high	97.9	Very high	54 Å²	54	42.1 Å²	42.1	29%	0.289	24%	0.239	S	C	.	.			trans	-73.9	118.4	163.7	-177	-63.9	0	0	0	109	S385 T386 L387 Q388 I390	N383-S385 PolarHBondContact O-N 3.08Å; N383-S385 VanDerWaalsContact O-N 3.12Å; N383-S385 WeakPolarHBondContact OD1-CA 3.37Å; N383-S385 WeakPolarHBondContact OD1-CB 3.36Å; N383-S385 PolarHBondContact OD1-N 3.2Å; N383-T386 WeakPolarHBondContact CB-OG1 3.32Å; N383-T386 PolarHBondContact O-N 3.02Å; N383-T386 PolarHBondContact OD1-N 3.31Å; N383-T386 PolarHBondContact OD1-OG1 2.64Å; N383-L387 WeakPolarHBondContact O-CA 3.33Å; N383-L387 PolarHBondContact O-N 3.5Å; N383-Q388 PolarHBondContact N-O 2.9Å; N383-I390 HydrophobicContact CB-CD1 4.08Å; N383-I390 HydrophobicContact CB-CG1 4.21Å
384	P	96.1	Very high	97.9	Very high	33 Å²	33	44.9 Å²	44.9	21%	0.214	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.1	-175.6	-22.3	33.3	0	0	0	114.6	Y306 Y311 K322 L364 L382	Y306-P384 HydrophobicContact CD1-CB 4.15Å; Y306-P384 HydrophobicContact CD1-CG 4.37Å; Y306-P384 HydrophobicContact CE1-CB 4.06Å; Y306-P384 HydrophobicContact CE1-CG 3.89Å; Y311-P384 WeakPolarHBondContact CE1-O 3.41Å; Y311-P384 PolarHBondContact OH-O 2.91Å; K322-P384 WeakPolarHBondContact CD-O 3.43Å; K322-P384 PolarHBondContact NZ-O 3.07Å; L364-P384 HydrophobicContact CB-CG 4.02Å; L364-P384 HydrophobicContact CD2-CB 4.46Å; L382-P384 WeakPolarHBondContact O-CD 3.45Å
385	S	94.8	Very high	97.9	Very high	82 Å²	82	41.2 Å²	41.2	57%	0.573	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92	-41.2	-179.4	-60	0	0	0	0	112.3	N383	N383-S385 PolarHBondContact O-N 3.08Å; N383-S385 VanDerWaalsContact O-N 3.12Å; N383-S385 WeakPolarHBondContact OD1-CA 3.37Å; N383-S385 WeakPolarHBondContact OD1-CB 3.36Å; N383-S385 PolarHBondContact OD1-N 3.2Å
386	T	96.4	Very high	97.8	Very high	47 Å²	47	43.4 Å²	43.4	29%	0.288	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-11.6	-174.3	71	0	0	0	0	114.3	R334 N383 Q388	R334-T386 PolarHBondContact NE-O 2.77Å; N383-T386 WeakPolarHBondContact CB-OG1 3.32Å; N383-T386 PolarHBondContact O-N 3.02Å; N383-T386 PolarHBondContact OD1-N 3.31Å; N383-T386 PolarHBondContact OD1-OG1 2.64Å; T386-Q388 PolarHBondContact O-N 2.95Å; T386-Q388 VanDerWaalsContact O-N 3.15Å; T386-Q388 WeakPolarHBondContact OG1-CB 3.26Å; T386-Q388 PolarHBondContact OG1-N 2.85Å; T386-Q388 PolarHBondContact OG1-OE1 3.48Å
387	L	98.2	Very high	97.8	Very high	3 Å²	3	42 Å²	42	2%	0.016	23%	0.228	C	C	.	.			trans	58.9	7.1	-168.7	-59	177.6	0	0	0	114.5	Y311 I320 K322 K332 R334 L364 N383	Y311-L387 HydrophobicContact CD1-CD2 3.67Å; Y311-L387 HydrophobicContact CE1-CD2 3.62Å; I320-L387 HydrophobicContact CB-CD1 4.46Å; I320-L387 HydrophobicContact CG2-CD1 4.1Å; I320-L387 HydrophobicContact CG2-CD2 4.18Å; K322-L387 HydrophobicContact CB-CD1 4.28Å; K322-L387 HydrophobicContact CB-CD2 4.47Å; K332-L387 HydrophobicContact CB-CD1 3.95Å; K332-L387 HydrophobicContact CB-CG 4.2Å; K332-L387 HydrophobicContact CG-CD1 3.99Å; K332-L387 HydrophobicContact CG-CG 4.06Å; R334-L387 HydrophobicContact CB-CB 3.77Å; R334-L387 HydrophobicContact CB-CD1 4.18Å; R334-L387 WeakPolarHBondContact CD-O 3.44Å; L364-L387 HydrophobicContact CD2-CD2 4.42Å; N383-L387 WeakPolarHBondContact O-CA 3.33Å; N383-L387 PolarHBondContact O-N 3.5Å
388	Q	97.6	Very high	97.8	Very high	97 Å²	97	44.7 Å²	44.7	45%	0.453	25%	0.246	S	C	.	.			trans	-64.3	140.9	178.8	-76	175.4	-37.7	0	0	110.8	L382 N383 T386 I390	L382-Q388 WeakPolarHBondContact CA-O 3.48Å; N383-Q388 PolarHBondContact N-O 2.9Å; T386-Q388 PolarHBondContact O-N 2.95Å; T386-Q388 VanDerWaalsContact O-N 3.15Å; T386-Q388 WeakPolarHBondContact OG1-CB 3.26Å; T386-Q388 PolarHBondContact OG1-N 2.85Å; T386-Q388 PolarHBondContact OG1-OE1 3.48Å; Q388-I390 PolarHBondContact O-N 2.71Å
389	I	98.2	Very high	97.8	Very high	55 Å²	55	44.3 Å²	44.3	28%	0.282	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	119.7	168.2	-62.1	173.1	0	0	0	107.7	L336 L382 S392	L336-I389 HydrophobicContact CD1-CD1 4.07Å; L336-I389 HydrophobicContact CD1-CG1 4.31Å; L382-I389 HydrophobicContact CD2-CB 4.5Å; L382-I389 HydrophobicContact CD2-CG1 3.82Å; I389-S392 VanDerWaalsContact CG2-OG 3.27Å; I389-S392 WeakPolarHBondContact CG2-OG 3.34Å
390	I	97.6	Very high	97.8	Very high	104 Å²	104	51.7 Å²	51.7	53%	0.533	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-46.3	174.2	-62.7	172.9	0	0	0	109.2	K381 N383 Q388	K381-I390 HydrophobicContact CB-CB 4.41Å; K381-I390 HydrophobicContact CG-CD1 4.34Å; K381-I390 PolarHBondContact O-N 3.31Å; N383-I390 HydrophobicContact CB-CD1 4.08Å; N383-I390 HydrophobicContact CB-CG1 4.21Å; Q388-I390 PolarHBondContact O-N 2.71Å
391	K	97.6	Very high	97.8	Very high	111 Å²	111	54.6 Å²	54.6	48%	0.483	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	151.2	179	-175	169.1	173.6	-171.3	0	109.7	S380 K381 W393	S380-K391 CarbonylContact C-O 3.56Å; S380-K391 WeakPolarHBondContact CA-O 3.36Å; K381-K391 PolarHBondContact N-O 2.9Å; K391-W393 HydrophobicContact CB-CH2 3.63Å; K391-W393 HydrophobicContact CB-CZ2 4.2Å; K391-W393 HydrophobicContact CB-CZ3 3.86Å; K391-W393 HydrophobicContact CD-CH2 3.74Å; K391-W393 HydrophobicContact CD-CZ2 3.39Å; K391-W393 HydrophobicContact CG-CD2 4.37Å; K391-W393 HydrophobicContact CG-CE3 4.32Å; K391-W393 HydrophobicContact CG-CH2 3.62Å; K391-W393 HydrophobicContact CG-CZ2 3.69Å; K391-W393 HydrophobicContact CG-CZ3 3.94Å; K391-W393 VanDerWaalsContact O-CZ3 3.26Å; K391-W393 WeakPolarHBondContact O-CZ3 3.44Å
392	S	98.3	Very high	97.8	Very high	57 Å²	57	51.8 Å²	51.8	40%	0.399	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.9	176.3	-57.7	0	0	0	0	111.6	I379 S380 I389	I379-S392 CarbonylContact O-C 3.55Å; I379-S392 WeakPolarHBondContact O-CA 3.42Å; S380-S392 PolarHBondContact OG-OG 3.43Å; I389-S392 VanDerWaalsContact CG2-OG 3.27Å; I389-S392 WeakPolarHBondContact CG2-OG 3.34Å
393	W	98.5	Very high	97.8	Very high	20 Å²	20	51.7 Å²	51.7	8%	0.076	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.4	176.4	-62.4	-104.4	0	0	0	109.3	W365 V378 I379 K381 K391 Y428 T430	W365-W393 HydrophobicContact CE3-CZ3 4.37Å; W365-W393 HydrophobicContact CH2-CH2 4.17Å; W365-W393 HydrophobicContact CH2-CZ3 4.33Å; W365-W393 HydrophobicContact CZ3-CE3 4.25Å; W365-W393 AromaticContact CZ3-CH2 3.8Å; W365-W393 HydrophobicContact CZ3-CH2 3.8Å; W365-W393 AromaticContact CZ3-CZ3 3.51Å; W365-W393 HydrophobicContact CZ3-CZ3 3.51Å; V378-W393 WeakPolarHBondContact CA-O 2.91Å; I379-W393 HydrophobicContact CB-CB 4.46Å; I379-W393 PolarHBondContact N-O 2.88Å; I379-W393 PolarHBondContact O-N 3.13Å; K381-W393 HydrophobicContact CB-CH2 4.2Å; K381-W393 HydrophobicContact CB-CZ3 3.93Å; K391-W393 HydrophobicContact CB-CH2 3.63Å; K391-W393 HydrophobicContact CB-CZ2 4.2Å; K391-W393 HydrophobicContact CB-CZ3 3.86Å; K391-W393 HydrophobicContact CD-CH2 3.74Å; K391-W393 HydrophobicContact CD-CZ2 3.39Å; K391-W393 HydrophobicContact CG-CD2 4.37Å; K391-W393 HydrophobicContact CG-CE3 4.32Å; K391-W393 HydrophobicContact CG-CH2 3.62Å; K391-W393 HydrophobicContact CG-CZ2 3.69Å; K391-W393 HydrophobicContact CG-CZ3 3.94Å; K391-W393 VanDerWaalsContact O-CZ3 3.26Å; K391-W393 WeakPolarHBondContact O-CZ3 3.44Å; W393-Y428 HydrophobicContact CB-CE1 3.8Å; W393-Y428 HydrophobicContact CG-CE1 4.16Å; W393-T430 HydrophobicContact CD2-CG2 3.98Å; W393-T430 HydrophobicContact CE3-CG2 4.21Å; W393-T430 HydrophobicContact CG-CG2 4.24Å; W393-T430 PolarHBondContact NE1-O 2.81Å
394	T	97.7	Very high	97.8	Very high	87 Å²	87	49.3 Å²	49.3	53%	0.534	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.5	174.7	51.1	0	0	0	0	109.3	N373 V378	N373-T394 HydrophobicContact CB-CG2 4.39Å; V378-T394 HydrophobicContact CG2-CG2 4.35Å
395	T	98.1	Very high	97.9	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.037	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	172.1	172.8	79	0	0	0	0	110.3	N373 N376 I377 I379 H397 L412 Y428	N373-T395 PolarHBondContact ND2-O 3.01Å; N373-T395 VanDerWaalsContact ND2-O 3.07Å; N376-T395 WeakPolarHBondContact CB-O 3.47Å; I377-T395 HydrophobicContact CB-CG2 4.3Å; I377-T395 WeakPolarHBondContact CB-OG1 3.44Å; I377-T395 HydrophobicContact CG2-CG2 4.18Å; I377-T395 PolarHBondContact N-OG1 3.39Å; I377-T395 WeakPolarHBondContact O-CB 3.22Å; I377-T395 WeakPolarHBondContact O-CG2 3.46Å; I377-T395 PolarHBondContact O-N 3Å; I377-T395 PolarHBondContact O-OG1 3.09Å; I379-T395 HydrophobicContact CD1-CG2 3.88Å; I379-T395 HydrophobicContact CG1-CG2 4.2Å; T395-H397 PolarHBondContact OG1-N 3.38Å; T395-L412 HydrophobicContact CG2-CD2 4.36Å; T395-Y428 HydrophobicContact CG2-CD1 4.22Å; T395-Y428 HydrophobicContact CG2-CD2 3.74Å; T395-Y428 HydrophobicContact CG2-CE2 4.19Å; T395-Y428 HydrophobicContact CG2-CG 3.8Å
396	N	96.8	Very high	98.1	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	17.9	172.8	67.1	-27.6	0	0	0	113.1	Y426 Y435	N396-Y426 VanDerWaalsContact OD1-CE2 3.31Å; N396-Y426 WeakPolarHBondContact OD1-CE2 3.36Å; N396-Y426 PolarHBondContact OD1-OH 2.67Å; N396-Y435 WeakPolarHBondContact ND2-CE1 3.47Å; N396-Y435 WeakPolarHBondContact ND2-CE2 3.49Å; N396-Y435 PolarHBondContact ND2-OH 3.49Å; N396-Y435 VanDerWaalsContact ND2-OH 3.13Å
397	H	98.4	Very high	98.2	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.3	-175.7	-164.5	-69.6	0	0	0	112	N376 I377 T395 K399 Y425 Y426	N376-H397 CarbonylContact C-O 3.59Å; N376-H397 WeakPolarHBondContact CA-O 3.19Å; I377-H397 HydrophobicContact CD1-CB 4.43Å; I377-H397 PolarHBondContact N-O 3.33Å; T395-H397 PolarHBondContact OG1-N 3.38Å; H397-K399 PolarHBondContact O-N 2.7Å; H397-Y425 AromaticContact CE1-CE1 3.98Å; H397-Y425 AromaticContact CE1-CZ 3.75Å; H397-Y425 PolarHBondContact CE1-OH 2.93Å; H397-Y425 AromaticContact NE2-CE1 3.38Å; H397-Y425 WeakPolarHBondContact NE2-CE1 3.47Å; H397-Y425 AromaticContact NE2-CE2 3.81Å; H397-Y425 AromaticContact NE2-CZ 3Å; H397-Y425 PolarHBondContact NE2-OH 2.64Å; H397-Y426 HydrophobicContact CB-CD1 4.2Å; H397-Y426 HydrophobicContact CB-CE1 3.9Å; H397-Y426 HydrophobicContact CB-CE2 4.25Å; H397-Y426 AromaticContact CD2-CD1 3.88Å; H397-Y426 AromaticContact CD2-CD2 3.71Å; H397-Y426 AromaticContact CD2-CG 3.5Å
398	P	98.6	Very high	98.1	Very high	57 Å²	57	41.5 Å²	41.5	37%	0.37	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	125.6	177.7	-22.1	33	0	0	0	111.7	N376 R400 S401 A402	N376-P398 WeakPolarHBondContact OD1-CA 3.44Å; P398-R400 VanDerWaalsContact C-N 3.32Å; P398-R400 PolarHBondContact O-N 3.12Å; P398-S401 PolarHBondContact O-N 2.89Å; P398-S401 VanDerWaalsContact O-N 3.15Å; P398-A402 PolarHBondContact O-N 3.43Å
399	K	98.8	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.1	-35.9	-177.8	-167.2	167.8	-172.6	-50.5	0	112.5	Y345 Y347 S353 D354 A369 G375 I377 H397 S401 A402	Y345-K399 VanDerWaalsContact O-CD 3.28Å; Y345-K399 WeakPolarHBondContact O-CD 3.27Å; Y347-K399 HydrophobicContact CD1-CG 3.87Å; Y347-K399 HydrophobicContact CE1-CD 4.4Å; Y347-K399 HydrophobicContact CE1-CG 3.9Å; Y347-K399 VanDerWaalsContact CZ-NZ 3.29Å; S353-K399 PolarHBondContact O-NZ 3.4Å; D354-K399 VanDerWaalsContact O-CE 3.29Å; D354-K399 WeakPolarHBondContact O-CE 3.44Å; A369-K399 HydrophobicContact CB-CB 4.04Å; A369-K399 HydrophobicContact CB-CD 4.15Å; G375-K399 PolarHBondContact O-N 2.82Å; G375-K399 VanDerWaalsContact O-N 3.11Å; I377-K399 HydrophobicContact CG1-CB 3.67Å; I377-K399 HydrophobicContact CG1-CD 4.33Å; I377-K399 HydrophobicContact CG1-CG 3.89Å; H397-K399 PolarHBondContact O-N 2.7Å; K399-S401 PolarHBondContact O-N 2.86Å; K399-A402 WeakPolarHBondContact O-CB 3.46Å; K399-A402 PolarHBondContact O-N 2.83Å; K399-A402 VanDerWaalsContact O-N 3.1Å
400	R	98.6	Very high	97.5	Very high	154 Å²	154	35.5 Å²	35.5	58%	0.581	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-66.7	-16	176.6	-70.4	-171.7	-67.1	168	-2.8	114.5	H346 A348 P398	H346-R400 VanDerWaalsContact O-CA 3.28Å; H346-R400 WeakPolarHBondContact O-CA 3.38Å; H346-R400 WeakPolarHBondContact O-CG 3.21Å; A348-R400 WeakPolarHBondContact CA-O 3.42Å; A348-R400 WeakPolarHBondContact CB-O 3.31Å; P398-R400 VanDerWaalsContact C-N 3.32Å; P398-R400 PolarHBondContact O-N 3.12Å
401	S	98.3	Very high	97.5	Very high	62 Å²	62	31.6 Å²	31.6	43%	0.434	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-93.8	-14.7	175.1	-61.3	0	0	0	0	112.7	P398 K399	P398-S401 PolarHBondContact O-N 2.89Å; P398-S401 VanDerWaalsContact O-N 3.15Å; K399-S401 PolarHBondContact O-N 2.86Å
402	A	98.6	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.			trans	-78.9	134.6	176.7	0	0	0	0	0	110.6	Y347 A348 I377 P398 K399 V414	Y347-A402 HydrophobicContact CD1-CB 3.86Å; Y347-A402 HydrophobicContact CE1-CB 4.16Å; A348-A402 VanDerWaalsContact CB-O 3.3Å; A348-A402 WeakPolarHBondContact CB-O 3.5Å; A348-A402 PolarHBondContact N-O 2.99Å; I377-A402 HydrophobicContact CD1-CB 4.31Å; P398-A402 PolarHBondContact O-N 3.43Å; K399-A402 WeakPolarHBondContact O-CB 3.46Å; K399-A402 PolarHBondContact O-N 2.83Å; K399-A402 VanDerWaalsContact O-N 3.1Å; A402-V414 HydrophobicContact CB-CG1 3.31Å
403	G	98.2	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-65.7	-50.5	171.4	0	0	0	0	0	112.2	Y347 W349 T415	Y347-G403 WeakPolarHBondContact CB-O 3.42Å; W349-G403 VanDerWaalsContact CD1-O 3.25Å; G403-T415 WeakPolarHBondContact CA-OG1 3.38Å; G403-T415 PolarHBondContact N-O 2.89Å
404	E	98.6	Very high	97.6	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.019	13%	0.125	C	C	.	.			trans	-164.5	166.3	179.5	-92.6	-54.6	152.7	0	0	107.6	Y347 W349 T415 I449 L452	Y347-E404 WeakPolarHBondContact CD2-OE1 3.36Å; Y347-E404 WeakPolarHBondContact CD2-OE2 3.49Å; Y347-E404 WeakPolarHBondContact CE2-OE2 3.24Å; W349-E404 PolarHBondContact NE1-OE1 2.91Å; E404-T415 PolarHBondContact N-OG1 2.92Å; E404-T415 PolarHBondContact O-N 2.95Å; E404-T415 PolarHBondContact O-OG1 3.5Å; E404-I449 HydrophobicContact CG-CG2 4.29Å; E404-L452 HydrophobicContact CB-CB 3.96Å; E404-L452 HydrophobicContact CG-CB 4.09Å
405	A	98.8	Very high	97.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.1	173.6	0	0	0	0	0	112	Y347 L412 Y413 V414	Y347-A405 HydrophobicContact CE1-CB 4.21Å; A405-L412 HydrophobicContact CB-CD1 3.85Å; A405-L412 HydrophobicContact CB-CG 4.45Å; A405-Y413 CarbonylContact C-O 3.55Å; A405-Y413 WeakPolarHBondContact CA-O 3.31Å; A405-Y413 WeakPolarHBondContact CB-O 3.44Å; A405-V414 HydrophobicContact CB-CG2 3.99Å
406	F	98.8	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.4	177.5	54.5	-92.2	0	0	0	111	L230 I408 Y413 T415 V424 L452 L461	L230-F406 HydrophobicContact CD2-CE2 3.98Å; L230-F406 HydrophobicContact CD2-CZ 3.87Å; F406-I408 HydrophobicContact CD2-CD1 3.96Å; F406-I408 HydrophobicContact CD2-CG1 3.91Å; F406-I408 HydrophobicContact CE2-CD1 3.67Å; F406-I408 HydrophobicContact CE2-CG1 4.11Å; F406-Y413 HydrophobicContact CD2-CD2 4.24Å; F406-Y413 HydrophobicContact CD2-CG 4.49Å; F406-Y413 VanDerWaalsContact CE2-CB 3.49Å; F406-Y413 AromaticContact CE2-CD2 3.87Å; F406-Y413 HydrophobicContact CE2-CD2 3.87Å; F406-Y413 AromaticContact CE2-CG 3.87Å; F406-Y413 HydrophobicContact CE2-CG 3.87Å; F406-Y413 HydrophobicContact CZ-CG 4.28Å; F406-Y413 PolarHBondContact N-O 3.49Å; F406-Y413 PolarHBondContact O-N 3.26Å; F406-T415 HydrophobicContact CE1-CG2 4.48Å; F406-V424 HydrophobicContact CE1-CG2 4.15Å; F406-V424 HydrophobicContact CZ-CG2 3.91Å; F406-L452 HydrophobicContact CD1-CD2 3.82Å; F406-L452 HydrophobicContact CD1-CG 4.05Å; F406-L452 HydrophobicContact CE1-CD2 3.76Å; F406-L452 HydrophobicContact CE1-CG 4.37Å; F406-L461 HydrophobicContact CB-CD2 4.37Å; F406-L461 HydrophobicContact CD1-CD2 4.04Å; F406-L461 HydrophobicContact CD2-CD2 3.64Å; F406-L461 HydrophobicContact CE1-CD1 3.97Å; F406-L461 HydrophobicContact CE1-CD2 4.21Å; F406-L461 HydrophobicContact CE2-CD1 4.3Å; F406-L461 HydrophobicContact CE2-CD2 3.82Å; F406-L461 HydrophobicContact CG-CD2 3.75Å; F406-L461 HydrophobicContact CZ-CD1 3.84Å; F406-L461 HydrophobicContact CZ-CD2 4.11Å
407	M	98.3	Very high	97.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.9	178.1	-71.8	-75.4	-67.4	0	0	110.5	M358 D360 W365 I379 T411 L412 T430 Y454	M358-M407 HydrophobicContact CG-CB 4.18Å; M358-M407 HydrophobicContact CG-CG 3.94Å; M358-M407 HydrophobicContact SD-CB 3.79Å; M358-M407 HydrophobicContact SD-CG 3.29Å; M358-M407 WeakPolarHBondContact SD-CG 3.43Å; M358-M407 PolarHBondContact SD-N 3.15Å; M358-M407 VanDerWaalsContact SD-N 3.42Å; D360-M407 HydrophobicContact CB-CB 4.15Å; W365-M407 HydrophobicContact CB-CG 4.47Å; W365-M407 HydrophobicContact CD2-CE 3.74Å; W365-M407 HydrophobicContact CE3-CE 3.88Å; W365-M407 HydrophobicContact CG-CE 4.26Å; W365-M407 HydrophobicContact CG-CG 4.34Å; W365-M407 HydrophobicContact CH2-CE 4.02Å; W365-M407 HydrophobicContact CZ2-CE 3.93Å; W365-M407 HydrophobicContact CZ3-CE 3.99Å; I379-M407 HydrophobicContact CG2-CE 4.38Å; I379-M407 HydrophobicContact CG2-SD 4.3Å; M407-T411 WeakPolarHBondContact CA-O 3.34Å; M407-L412 HydrophobicContact CG-CD1 4.2Å; M407-L412 WeakPolarHBondContact SD-CA 3.34Å; M407-L412 HydrophobicContact SD-CB 3.57Å; M407-L412 VanDerWaalsContact SD-CB 3.57Å; M407-L412 HydrophobicContact SD-CD1 3.89Å; M407-L412 HydrophobicContact SD-CG 4.37Å; M407-L412 PolarHBondContact SD-N 2.99Å; M407-L412 VanDerWaalsContact SD-N 3.41Å; M407-T430 HydrophobicContact CE-CG2 4.12Å; M407-Y454 WeakPolarHBondContact O-CB 3.4Å; M407-Y454 WeakPolarHBondContact O-CD1 3.31Å
408	I	95.8	Very high	97.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.6	167.4	-56.1	178.5	0	0	0	106.9	L230 F406 G410 T411 Y413 Y454 V474 L476	L230-I408 HydrophobicContact CD1-CD1 4.27Å; F406-I408 HydrophobicContact CD2-CD1 3.96Å; F406-I408 HydrophobicContact CD2-CG1 3.91Å; F406-I408 HydrophobicContact CE2-CD1 3.67Å; F406-I408 HydrophobicContact CE2-CG1 4.11Å; I408-G410 VanDerWaalsContact C-N 3.25Å; I408-G410 PolarHBondContact O-N 2.72Å; I408-G410 VanDerWaalsContact O-N 3.15Å; I408-T411 PolarHBondContact N-O 3.4Å; I408-T411 PolarHBondContact O-N 3.48Å; I408-Y413 HydrophobicContact CB-CD2 4.32Å; I408-Y413 HydrophobicContact CB-CE2 3.95Å; I408-Y413 HydrophobicContact CG1-CD2 4.35Å; I408-Y413 HydrophobicContact CG1-CE2 4.4Å; I408-Y454 HydrophobicContact CB-CD1 4.42Å; I408-Y454 HydrophobicContact CB-CE1 4.33Å; I408-Y454 HydrophobicContact CD1-CD2 3.89Å; I408-Y454 HydrophobicContact CD1-CE2 4.07Å; I408-Y454 HydrophobicContact CD1-CG 4.23Å; I408-Y454 HydrophobicContact CG1-CD1 3.81Å; I408-Y454 HydrophobicContact CG1-CD2 3.82Å; I408-Y454 HydrophobicContact CG1-CE1 4.06Å; I408-Y454 HydrophobicContact CG1-CE2 4.1Å; I408-Y454 HydrophobicContact CG1-CG 3.66Å; I408-Y454 HydrophobicContact CG2-CE1 4.05Å; I408-Y454 HydrophobicContact CG2-CE2 4.49Å; I408-V474 HydrophobicContact CD1-CG1 4.41Å; I408-V474 HydrophobicContact CD1-CG2 4.46Å; I408-L476 HydrophobicContact CD1-CD2 4.16Å; I408-L476 HydrophobicContact CG2-CD1 3.8Å; I408-L476 HydrophobicContact CG2-CD2 3.87Å
409	C	90.4	Very high	97.1	Very high	21 Å²	21	22.7 Å²	22.7	14%	0.142	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	39.7	173.4	-60.4	0	0	0	0	114.6	C227 D360 E361 T411	C227-C409 WeakPolarHBondContact CA-SG 3.48Å; C227-C409 HydrophobicContact CB-CB 3.55Å; C227-C409 WeakPolarHBondContact CB-SG 3.17Å; C227-C409 VanDerWaalsContact SG-CA 3.6Å; C227-C409 WeakPolarHBondContact SG-CB 3.47Å; C227-C409 CovalentContact SG-SG 2.03Å; C227-C409 PolarHBondContact SG-SG 2.85Å; D360-C409 PolarHBondContact OD2-N 2.88Å; E361-C409 WeakPolarHBondContact OE2-CA 3.41Å; E361-C409 PolarHBondContact OE2-N 2.72Å; E361-C409 PolarHBondContact OE2-SG 2.77Å; C409-T411 VanDerWaalsContact C-N 3.28Å; C409-T411 PolarHBondContact O-N 3.03Å
410	G	93.4	Very high	96.6	Very high	5 Å²	5	25.2 Å²	25.2	5%	0.052	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	10.5	-178.8	0	0	0	0	0	114.7	D360 I408 T430	D360-G410 WeakPolarHBondContact OD2-CA 3.45Å; D360-G410 PolarHBondContact OD2-N 3.07Å; I408-G410 VanDerWaalsContact C-N 3.25Å; I408-G410 PolarHBondContact O-N 2.72Å; I408-G410 VanDerWaalsContact O-N 3.15Å; G410-T430 WeakPolarHBondContact O-CB 3.34Å; G410-T430 WeakPolarHBondContact O-CG2 3.46Å; G410-T430 PolarHBondContact O-N 2.9Å; G410-T430 PolarHBondContact O-OG1 2.88Å
411	T	96.9	Very high	96.3	Very high	22 Å²	22	21.2 Å²	21.2	14%	0.135	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.6	175.2	-56.9	0	0	0	0	110.1	M407 I408 C409 Y413 A427 Y428	M407-T411 WeakPolarHBondContact CA-O 3.34Å; I408-T411 PolarHBondContact N-O 3.4Å; I408-T411 PolarHBondContact O-N 3.48Å; C409-T411 VanDerWaalsContact C-N 3.28Å; C409-T411 PolarHBondContact O-N 3.03Å; T411-Y413 HydrophobicContact CG2-CD2 4.3Å; T411-Y413 HydrophobicContact CG2-CE1 4.15Å; T411-Y413 HydrophobicContact CG2-CE2 3.67Å; T411-Y413 WeakPolarHBondContact O-CD2 3.24Å; T411-Y413 WeakPolarHBondContact O-CE2 3.35Å; T411-A427 HydrophobicContact CG2-CB 4.09Å; T411-Y428 CarbonylContact C-O 3.48Å; T411-Y428 WeakPolarHBondContact CA-O 3.29Å
412	L	98.8	Very high	96.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	125.3	173.1	-179.2	75.1	0	0	0	109.2	V367 I377 I379 T395 A405 M407 V414 A427 Y428	V367-L412 HydrophobicContact CG1-CD1 4.34Å; V367-L412 HydrophobicContact CG2-CD1 3.79Å; I377-L412 HydrophobicContact CD1-CD2 4.43Å; I377-L412 HydrophobicContact CG2-CD2 3.71Å; I379-L412 HydrophobicContact CD1-CB 3.64Å; I379-L412 HydrophobicContact CD1-CD2 3.75Å; I379-L412 HydrophobicContact CD1-CG 4.22Å; I379-L412 HydrophobicContact CG1-CB 4.44Å; I379-L412 HydrophobicContact CG1-CD2 3.92Å; T395-L412 HydrophobicContact CG2-CD2 4.36Å; A405-L412 HydrophobicContact CB-CD1 3.85Å; A405-L412 HydrophobicContact CB-CG 4.45Å; M407-L412 HydrophobicContact CG-CD1 4.2Å; M407-L412 WeakPolarHBondContact SD-CA 3.34Å; M407-L412 HydrophobicContact SD-CB 3.57Å; M407-L412 VanDerWaalsContact SD-CB 3.57Å; M407-L412 HydrophobicContact SD-CD1 3.89Å; M407-L412 HydrophobicContact SD-CG 4.37Å; M407-L412 PolarHBondContact SD-N 2.99Å; M407-L412 VanDerWaalsContact SD-N 3.41Å; L412-V414 HydrophobicContact CD2-CG2 3.78Å; L412-V414 HydrophobicContact CG-CG2 3.95Å; L412-A427 CarbonylContact O-C 3.41Å; L412-A427 WeakPolarHBondContact O-CA 3.25Å; L412-Y428 PolarHBondContact N-O 2.93Å; L412-Y428 PolarHBondContact O-N 3.24Å
413	Y	98.8	Very high	96	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	131	172.7	-67.6	-82.7	0	0	0	109.6	L230 A405 F406 I408 T411 V424 A427 I438	L230-Y413 HydrophobicContact CB-CD1 4.16Å; L230-Y413 HydrophobicContact CB-CE1 3.55Å; L230-Y413 HydrophobicContact CB-CE2 4.11Å; L230-Y413 HydrophobicContact CD2-CD1 4.03Å; L230-Y413 HydrophobicContact CD2-CE1 4.28Å; L230-Y413 HydrophobicContact CD2-CG 4.21Å; L230-Y413 PolarHBondContact N-OH 3.48Å; A405-Y413 CarbonylContact C-O 3.55Å; A405-Y413 WeakPolarHBondContact CA-O 3.31Å; A405-Y413 WeakPolarHBondContact CB-O 3.44Å; F406-Y413 HydrophobicContact CD2-CD2 4.24Å; F406-Y413 HydrophobicContact CD2-CG 4.49Å; F406-Y413 VanDerWaalsContact CE2-CB 3.49Å; F406-Y413 AromaticContact CE2-CD2 3.87Å; F406-Y413 HydrophobicContact CE2-CD2 3.87Å; F406-Y413 AromaticContact CE2-CG 3.87Å; F406-Y413 HydrophobicContact CE2-CG 3.87Å; F406-Y413 HydrophobicContact CZ-CG 4.28Å; F406-Y413 PolarHBondContact N-O 3.49Å; F406-Y413 PolarHBondContact O-N 3.26Å; I408-Y413 HydrophobicContact CB-CD2 4.32Å; I408-Y413 HydrophobicContact CB-CE2 3.95Å; I408-Y413 HydrophobicContact CG1-CD2 4.35Å; I408-Y413 HydrophobicContact CG1-CE2 4.4Å; T411-Y413 HydrophobicContact CG2-CD2 4.3Å; T411-Y413 HydrophobicContact CG2-CE1 4.15Å; T411-Y413 HydrophobicContact CG2-CE2 3.67Å; T411-Y413 WeakPolarHBondContact O-CD2 3.24Å; T411-Y413 WeakPolarHBondContact O-CE2 3.35Å; Y413-V424 HydrophobicContact CD1-CG1 3.88Å; Y413-V424 HydrophobicContact CG-CG1 4.27Å; Y413-A427 HydrophobicContact CD1-CB 3.96Å; Y413-A427 HydrophobicContact CE1-CB 3.88Å; Y413-I438 HydrophobicContact CD1-CD1 3.88Å; Y413-I438 HydrophobicContact CE1-CD1 4.08Å
414	V	98.9	Very high	96.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.3	-175.1	-177.2	0	0	0	0	110.1	I377 A402 A405 L412 Y425 Y426	I377-V414 HydrophobicContact CD1-CG1 4.38Å; I377-V414 HydrophobicContact CD1-CG2 3.99Å; A402-V414 HydrophobicContact CB-CG1 3.31Å; A405-V414 HydrophobicContact CB-CG2 3.99Å; L412-V414 HydrophobicContact CD2-CG2 3.78Å; L412-V414 HydrophobicContact CG-CG2 3.95Å; V414-Y425 HydrophobicContact CG1-CE1 4.4Å; V414-Y425 WeakPolarHBondContact O-CD1 3.13Å; V414-Y425 PolarHBondContact O-N 3.13Å; V414-Y426 HydrophobicContact CB-CD1 4.07Å; V414-Y426 HydrophobicContact CG2-CD1 3.75Å; V414-Y426 HydrophobicContact CG2-CE1 4.43Å; V414-Y426 PolarHBondContact N-O 2.9Å; V414-Y426 PolarHBondContact O-N 2.93Å
415	T	98.7	Very high	96	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.6	178.4	63.4	0	0	0	0	111.9	G403 E404 F406 G417 K423 V424 Y425 F442 L452	G403-T415 WeakPolarHBondContact CA-OG1 3.38Å; G403-T415 PolarHBondContact N-O 2.89Å; E404-T415 PolarHBondContact N-OG1 2.92Å; E404-T415 PolarHBondContact O-N 2.95Å; E404-T415 PolarHBondContact O-OG1 3.5Å; F406-T415 HydrophobicContact CE1-CG2 4.48Å; T415-G417 PolarHBondContact O-N 2.86Å; T415-K423 CarbonylContact C-O 3.54Å; T415-K423 VanDerWaalsContact CA-O 3.25Å; T415-K423 WeakPolarHBondContact CA-O 3.25Å; T415-V424 HydrophobicContact CG2-CG2 4.33Å; T415-Y425 WeakPolarHBondContact O-CE1 3.28Å; T415-F442 HydrophobicContact CG2-CE1 3.79Å; T415-F442 HydrophobicContact CG2-CZ 3.88Å; T415-L452 HydrophobicContact CG2-CD2 3.91Å
416	N	97.4	Very high	96	Very high	57 Å²	57	23.7 Å²	23.7	31%	0.305	16%	0.156	S	C	.	.	S	Bend	trans	-71.3	-14.3	-177.3	69.2	-35.9	0	0	0	114.7	G421 T422 K423 Y425	N416-G421 PolarHBondContact ND2-O 3.15Å; N416-T422 WeakPolarHBondContact OD1-CA 3.18Å; N416-K423 HydrophobicContact CB-CG 4.16Å; N416-K423 PolarHBondContact N-O 3.24Å; N416-K423 PolarHBondContact OD1-N 2.94Å; N416-K423 PolarHBondContact OD1-O 2.87Å; N416-K423 VanDerWaalsContact OD1-O 3.09Å; N416-Y425 HydrophobicContact CB-CD1 3.61Å; N416-Y425 HydrophobicContact CB-CE1 3.9Å; N416-Y425 HydrophobicContact CB-CG 4.01Å; N416-Y425 VanDerWaalsContact N-CD1 3.29Å
417	G	94.9	Very high	95.9	Very high	13 Å²	13	23.8 Å²	23.8	13%	0.134	16%	0.157	C	C	.	.			trans	173.6	173.4	-176.3	0	0	0	0	0	111.7	T415	T415-G417 PolarHBondContact O-N 2.86Å
418	Y	95.4	Very high	95.9	Very high	73 Å²	73	24.3 Å²	24.3	29%	0.286	16%	0.159	S	C	.	.	S	Bend	trans	-102.6	-10.1	-176.8	62.7	-90.1	0	0	0	113.3	A348 W349 N444 H448 I449	A348-Y418 VanDerWaalsContact C-CE1 3.49Å; A348-Y418 HydrophobicContact CB-CD1 3.78Å; A348-Y418 HydrophobicContact CB-CE1 4.01Å; A348-Y418 VanDerWaalsContact O-CE1 3.24Å; A348-Y418 WeakPolarHBondContact O-CE1 3.39Å; W349-Y418 HydrophobicContact CB-CD1 3.76Å; W349-Y418 HydrophobicContact CB-CD2 3.86Å; W349-Y418 HydrophobicContact CB-CE1 4.2Å; W349-Y418 HydrophobicContact CB-CE2 4.3Å; W349-Y418 HydrophobicContact CB-CG 3.57Å; Y418-N444 PolarHBondContact O-ND2 3.3Å; Y418-H448 AromaticContact CD2-CD2 3.55Å; Y418-H448 AromaticContact CD2-NE2 3.59Å; Y418-H448 AromaticContact CE2-CD2 3.68Å; Y418-H448 AromaticContact CE2-NE2 3.73Å; Y418-H448 CarbonylContact O-C 3.52Å; Y418-H448 WeakPolarHBondContact O-CA 3.36Å; Y418-I449 WeakPolarHBondContact CB-O 3.38Å; Y418-I449 PolarHBondContact O-N 3.29Å
419	S	93.2	Very high	95.8	Very high	60 Å²	60	25.6 Å²	25.6	42%	0.42	17%	0.168	S	C	.	.	S	Bend	trans	-139.2	159.4	-175.6	61.1	0	0	0	0	111.7	S447	S419-S447 WeakPolarHBondContact CA-O 3.43Å; S419-S447 WeakPolarHBondContact CB-O 3.2Å
420	G	88.9	Confident	95.9	Very high	54 Å²	54	24.8 Å²	24.8	56%	0.557	16%	0.162	S	C	*	.	S	Bend	trans	71.2	-143.8	-179.2	0	0	0	0	0	113.5	T422	G420-T422 PolarHBondContact O-N 3.18Å
421	G	90.3	Very high	95.6	Very high	70 Å²	70	31 Å²	31	72%	0.722	19%	0.194	S	C	*	.	S	Bend	trans	-71.7	87.6	178.8	0	0	0	0	0	112	N416	N416-G421 PolarHBondContact ND2-O 3.15Å
422	T	95.2	Very high	95	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.037	20%	0.201	C	C	.	.			trans	-81.9	137.1	-179.3	49.9	0	0	0	0	112	N416 G420 F442 N444	N416-T422 WeakPolarHBondContact OD1-CA 3.18Å; G420-T422 PolarHBondContact O-N 3.18Å; T422-F442 HydrophobicContact CG2-CZ 4.48Å; T422-F442 PolarHBondContact O-N 2.88Å; T422-F442 PolarHBondContact OG1-O 3.02Å; T422-N444 HydrophobicContact CG2-CB 3.78Å; T422-N444 VanDerWaalsContact OG1-CB 3.25Å; T422-N444 WeakPolarHBondContact OG1-CB 3.49Å; T422-N444 PolarHBondContact OG1-N 3.36Å
423	K	97.2	Very high	94.6	Very high	60 Å²	60	34.5 Å²	34.5	26%	0.261	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153	172.9	56.7	169.1	173.1	176.1	0	110.7	T415 N416 D439 I440 A441	T415-K423 CarbonylContact C-O 3.54Å; T415-K423 VanDerWaalsContact CA-O 3.25Å; T415-K423 WeakPolarHBondContact CA-O 3.25Å; N416-K423 HydrophobicContact CB-CG 4.16Å; N416-K423 PolarHBondContact N-O 3.24Å; N416-K423 PolarHBondContact OD1-N 2.94Å; N416-K423 PolarHBondContact OD1-O 2.87Å; N416-K423 VanDerWaalsContact OD1-O 3.09Å; K423-D439 WeakPolarHBondContact CD-OD1 3.48Å; K423-D439 IonicContact NZ-OD1 2.64Å; K423-D439 PolarHBondContact NZ-OD1 3.38Å; K423-D439 IonicContact NZ-OD2 3.93Å; K423-D439 PolarHBondContact NZ-OD2 2.82Å; K423-I440 CarbonylContact C-O 3.57Å; K423-I440 VanDerWaalsContact CA-O 3.3Å; K423-I440 WeakPolarHBondContact CA-O 3.31Å; K423-I440 WeakPolarHBondContact CB-O 3.09Å; K423-A441 HydrophobicContact CB-CB 4.47Å
424	V	98.4	Very high	94	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.8	161.8	-171.7	0	0	0	0	107.1	L230 I233 F406 Y413 T415 I438 I440 F442	L230-V424 HydrophobicContact CD2-CG2 4.27Å; I233-V424 HydrophobicContact CD1-CG2 3.68Å; F406-V424 HydrophobicContact CE1-CG2 4.15Å; F406-V424 HydrophobicContact CZ-CG2 3.91Å; Y413-V424 HydrophobicContact CD1-CG1 3.88Å; Y413-V424 HydrophobicContact CG-CG1 4.27Å; T415-V424 HydrophobicContact CG2-CG2 4.33Å; V424-I438 HydrophobicContact CB-CD1 4.42Å; V424-I438 HydrophobicContact CG1-CD1 3.72Å; V424-I438 HydrophobicContact CG1-CG1 4.39Å; V424-I440 HydrophobicContact CB-CB 4.21Å; V424-I440 PolarHBondContact N-O 2.86Å; V424-I440 PolarHBondContact O-N 3.27Å; V424-F442 HydrophobicContact CG2-CD1 4.34Å; V424-F442 HydrophobicContact CG2-CE1 4.27Å
425	Y	97	Very high	93.8	Very high	51 Å²	51	41.2 Å²	41.2	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	-5.9	-172.3	86.9	-69.2	0	0	0	115.3	H397 V414 T415 N416 Y437 I438	H397-Y425 AromaticContact CE1-CE1 3.98Å; H397-Y425 AromaticContact CE1-CZ 3.75Å; H397-Y425 PolarHBondContact CE1-OH 2.93Å; H397-Y425 AromaticContact NE2-CE1 3.38Å; H397-Y425 WeakPolarHBondContact NE2-CE1 3.47Å; H397-Y425 AromaticContact NE2-CE2 3.81Å; H397-Y425 AromaticContact NE2-CZ 3Å; H397-Y425 PolarHBondContact NE2-OH 2.64Å; V414-Y425 HydrophobicContact CG1-CE1 4.4Å; V414-Y425 WeakPolarHBondContact O-CD1 3.13Å; V414-Y425 PolarHBondContact O-N 3.13Å; T415-Y425 WeakPolarHBondContact O-CE1 3.28Å; N416-Y425 HydrophobicContact CB-CD1 3.61Å; N416-Y425 HydrophobicContact CB-CE1 3.9Å; N416-Y425 HydrophobicContact CB-CG 4.01Å; N416-Y425 VanDerWaalsContact N-CD1 3.29Å; Y425-Y437 HydrophobicContact CD2-CD1 4.03Å; Y425-Y437 HydrophobicContact CD2-CE1 4.28Å; Y425-Y437 HydrophobicContact CE2-CD1 4.32Å; Y425-Y437 HydrophobicContact CE2-CE1 4.11Å; Y425-Y437 CarbonylContact O-C 3.47Å; Y425-Y437 VanDerWaalsContact O-CA 3.3Å; Y425-Y437 WeakPolarHBondContact O-CA 3.27Å; Y425-Y437 WeakPolarHBondContact O-CD1 3.31Å; Y425-I438 CarbonylContact C-O 3.54Å; Y425-I438 WeakPolarHBondContact CA-O 3.33Å; Y425-I438 PolarHBondContact O-N 3.46Å
426	Y	98.3	Very high	93.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	136.1	178.7	174.5	-86.5	0	0	0	109.1	N396 H397 V414 Y435 Y437	N396-Y426 VanDerWaalsContact OD1-CE2 3.31Å; N396-Y426 WeakPolarHBondContact OD1-CE2 3.36Å; N396-Y426 PolarHBondContact OD1-OH 2.67Å; H397-Y426 HydrophobicContact CB-CD1 4.2Å; H397-Y426 HydrophobicContact CB-CE1 3.9Å; H397-Y426 HydrophobicContact CB-CE2 4.25Å; H397-Y426 AromaticContact CD2-CD1 3.88Å; H397-Y426 AromaticContact CD2-CD2 3.71Å; H397-Y426 AromaticContact CD2-CG 3.5Å; V414-Y426 HydrophobicContact CB-CD1 4.07Å; V414-Y426 HydrophobicContact CG2-CD1 3.75Å; V414-Y426 HydrophobicContact CG2-CE1 4.43Å; V414-Y426 PolarHBondContact N-O 2.9Å; V414-Y426 PolarHBondContact O-N 2.93Å; Y426-Y435 HydrophobicContact CD2-CD2 4.37Å; Y426-Y435 AromaticContact CE2-CD2 3.55Å; Y426-Y435 HydrophobicContact CE2-CD2 3.55Å; Y426-Y435 HydrophobicContact CE2-CE2 4.44Å; Y426-Y435 AromaticContact CE2-CG 3.85Å; Y426-Y435 HydrophobicContact CE2-CG 3.85Å; Y426-Y435 WeakPolarHBondContact OH-CB 3.27Å; Y426-Y437 HydrophobicContact CD2-CD1 4.23Å; Y426-Y437 AromaticContact CD2-CE1 3.95Å; Y426-Y437 HydrophobicContact CD2-CE1 3.95Å
427	A	97.8	Very high	93.2	Very high	2 Å²	2	47.4 Å²	47.4	2%	0.017	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135.4	174.3	0	0	0	0	0	109.8	T411 L412 Y413 Y435 E436 I438	T411-A427 HydrophobicContact CG2-CB 4.09Å; L412-A427 CarbonylContact O-C 3.41Å; L412-A427 WeakPolarHBondContact O-CA 3.25Å; Y413-A427 HydrophobicContact CD1-CB 3.96Å; Y413-A427 HydrophobicContact CE1-CB 3.88Å; A427-Y435 CarbonylContact O-C 3.51Å; A427-Y435 WeakPolarHBondContact O-CA 3.4Å; A427-Y435 WeakPolarHBondContact O-CB 3.24Å; A427-E436 HydrophobicContact CB-CG 4.06Å; A427-E436 PolarHBondContact N-O 2.97Å; A427-E436 PolarHBondContact O-N 2.89Å; A427-I438 HydrophobicContact CB-CD1 3.98Å
428	Y	97.7	Very high	93.1	Very high	13 Å²	13	48.1 Å²	48.1	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.7	173.9	-176.6	-78.1	0	0	0	109.7	I379 W393 T395 T411 L412 T430 S433 T434	I379-Y428 HydrophobicContact CD1-CD1 3.66Å; I379-Y428 HydrophobicContact CD1-CE1 4.24Å; I379-Y428 HydrophobicContact CD1-CG 4.32Å; W393-Y428 HydrophobicContact CB-CE1 3.8Å; W393-Y428 HydrophobicContact CG-CE1 4.16Å; T395-Y428 HydrophobicContact CG2-CD1 4.22Å; T395-Y428 HydrophobicContact CG2-CD2 3.74Å; T395-Y428 HydrophobicContact CG2-CE2 4.19Å; T395-Y428 HydrophobicContact CG2-CG 3.8Å; T411-Y428 CarbonylContact C-O 3.48Å; T411-Y428 WeakPolarHBondContact CA-O 3.29Å; L412-Y428 PolarHBondContact N-O 2.93Å; L412-Y428 PolarHBondContact O-N 3.24Å; Y428-T430 HydrophobicContact CD1-CG2 4.37Å; Y428-T430 HydrophobicContact CE1-CG2 4.42Å; Y428-S433 WeakPolarHBondContact OH-CA 3.41Å; Y428-S433 PolarHBondContact OH-O 3.26Å; Y428-T434 WeakPolarHBondContact CA-O 3.29Å
429	S	94.9	Very high	93	Very high	27 Å²	27	49.8 Å²	49.8	19%	0.189	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.5	177.7	170.1	0	0	0	0	110	N431 S432 S433 T434	S429-N431 VanDerWaalsContact C-N 3.27Å; S429-N431 PolarHBondContact O-N 3.06Å; S429-N431 PolarHBondContact OG-N 3.39Å; S429-S432 WeakPolarHBondContact CB-OG 3.34Å; S429-S432 PolarHBondContact OG-N 2.86Å; S429-S432 PolarHBondContact OG-OG 2.86Å; S429-S433 WeakPolarHBondContact O-CA 3.44Å; S429-S433 PolarHBondContact O-N 2.62Å; S429-T434 PolarHBondContact N-O 3.23Å; S429-T434 PolarHBondContact O-N 2.65Å
430	T	92.6	Very high	93.1	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.4	177.3	63.1	0	0	0	0	113	W365 I379 W393 M407 G410 Y428	W365-T430 HydrophobicContact CH2-CG2 4.42Å; W365-T430 HydrophobicContact CZ3-CG2 4.15Å; I379-T430 HydrophobicContact CD1-CG2 4.03Å; I379-T430 HydrophobicContact CG2-CG2 4.27Å; W393-T430 HydrophobicContact CD2-CG2 3.98Å; W393-T430 HydrophobicContact CE3-CG2 4.21Å; W393-T430 HydrophobicContact CG-CG2 4.24Å; W393-T430 PolarHBondContact NE1-O 2.81Å; M407-T430 HydrophobicContact CE-CG2 4.12Å; G410-T430 WeakPolarHBondContact O-CB 3.34Å; G410-T430 WeakPolarHBondContact O-CG2 3.46Å; G410-T430 PolarHBondContact O-N 2.9Å; G410-T430 PolarHBondContact O-OG1 2.88Å; Y428-T430 HydrophobicContact CD1-CG2 4.37Å; Y428-T430 HydrophobicContact CE1-CG2 4.42Å
431	N	86.4	Confident	93.4	Very high	136 Å²	136	48.7 Å²	48.7	73%	0.727	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-50.5	178.5	-71.2	-19.8	0	0	0	111.2	S429	S429-N431 VanDerWaalsContact C-N 3.27Å; S429-N431 PolarHBondContact O-N 3.06Å; S429-N431 PolarHBondContact OG-N 3.39Å
432	S	83.6	Confident	93.7	Very high	39 Å²	39	46 Å²	46	27%	0.273	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-16	177.1	51.1	0	0	0	0	112.9	S429 T434 Q483 E484	S429-S432 WeakPolarHBondContact CB-OG 3.34Å; S429-S432 PolarHBondContact OG-N 2.86Å; S429-S432 PolarHBondContact OG-OG 2.86Å; S432-T434 WeakPolarHBondContact CB-OG1 3.42Å; S432-T434 PolarHBondContact O-N 3.01Å; S432-T434 PolarHBondContact OG-OG1 2.66Å; S432-Q483 WeakPolarHBondContact CB-O 3.38Å; S432-E484 WeakPolarHBondContact CB-O 3.21Å
433	S	90.8	Very high	93.7	Very high	57 Å²	57	50.5 Å²	50.5	40%	0.399	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	26.5	-170.8	-49.7	0	0	0	0	113.1	Y428 S429	Y428-S433 WeakPolarHBondContact OH-CA 3.41Å; Y428-S433 PolarHBondContact OH-O 3.26Å; S429-S433 WeakPolarHBondContact O-CA 3.44Å; S429-S433 PolarHBondContact O-N 2.62Å
434	T	87.3	Confident	93.7	Very high	29 Å²	29	48.5 Å²	48.5	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	162.2	178.7	59.1	0	0	0	0	111.1	Y428 S429 S432 Q483 E484	Y428-T434 WeakPolarHBondContact CA-O 3.29Å; S429-T434 PolarHBondContact N-O 3.23Å; S429-T434 PolarHBondContact O-N 2.65Å; S432-T434 WeakPolarHBondContact CB-OG1 3.42Å; S432-T434 PolarHBondContact O-N 3.01Å; S432-T434 PolarHBondContact OG-OG1 2.66Å; T434-Q483 PolarHBondContact OG1-O 3.17Å; T434-E484 HydrophobicContact CG2-CB 4.26Å
435	Y	93.1	Very high	93.6	Very high	113 Å²	113	52.9 Å²	52.9	44%	0.443	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.6	178.9	69.5	-87.9	0	0	0	111.4	N396 Y426 A427 Y437	N396-Y435 WeakPolarHBondContact ND2-CE1 3.47Å; N396-Y435 WeakPolarHBondContact ND2-CE2 3.49Å; N396-Y435 PolarHBondContact ND2-OH 3.49Å; N396-Y435 VanDerWaalsContact ND2-OH 3.13Å; Y426-Y435 HydrophobicContact CD2-CD2 4.37Å; Y426-Y435 AromaticContact CE2-CD2 3.55Å; Y426-Y435 HydrophobicContact CE2-CD2 3.55Å; Y426-Y435 HydrophobicContact CE2-CE2 4.44Å; Y426-Y435 AromaticContact CE2-CG 3.85Å; Y426-Y435 HydrophobicContact CE2-CG 3.85Å; Y426-Y435 WeakPolarHBondContact OH-CB 3.27Å; A427-Y435 CarbonylContact O-C 3.51Å; A427-Y435 WeakPolarHBondContact O-CA 3.4Å; A427-Y435 WeakPolarHBondContact O-CB 3.24Å; Y435-Y437 HydrophobicContact CE2-CE2 4.18Å
436	E	91.8	Very high	93.6	Very high	47 Å²	47	52.9 Å²	52.9	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.6	175.4	58.4	178.9	145.1	0	0	110.5	K229 A427 I438	K229-E436 WeakPolarHBondContact CE-OE1 3.28Å; K229-E436 IonicContact NZ-OE1 3.05Å; K229-E436 PolarHBondContact NZ-OE1 2.96Å; K229-E436 IonicContact NZ-OE2 3.76Å; K229-E436 PolarHBondContact NZ-OE2 3.36Å; A427-E436 HydrophobicContact CB-CG 4.06Å; A427-E436 PolarHBondContact N-O 2.97Å; A427-E436 PolarHBondContact O-N 2.89Å; E436-I438 HydrophobicContact CG-CG2 3.95Å
437	Y	91.9	Very high	93.4	Very high	143 Å²	143	56.7 Å²	56.7	56%	0.561	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.8	167.5	-70.9	-83.8	0	0	0	109.1	Y425 Y426 Y435	Y425-Y437 HydrophobicContact CD2-CD1 4.03Å; Y425-Y437 HydrophobicContact CD2-CE1 4.28Å; Y425-Y437 HydrophobicContact CE2-CD1 4.32Å; Y425-Y437 HydrophobicContact CE2-CE1 4.11Å; Y425-Y437 CarbonylContact O-C 3.47Å; Y425-Y437 VanDerWaalsContact O-CA 3.3Å; Y425-Y437 WeakPolarHBondContact O-CA 3.27Å; Y425-Y437 WeakPolarHBondContact O-CD1 3.31Å; Y426-Y437 HydrophobicContact CD2-CD1 4.23Å; Y426-Y437 AromaticContact CD2-CE1 3.95Å; Y426-Y437 HydrophobicContact CD2-CE1 3.95Å; Y435-Y437 HydrophobicContact CE2-CE2 4.18Å
438	I	92.3	Very high	93.4	Very high	28 Å²	28	57.1 Å²	57.1	14%	0.144	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	177.2	-177.4	55.1	171.2	0	0	0	110.4	Y413 V424 Y425 A427 E436 I440	Y413-I438 HydrophobicContact CD1-CD1 3.88Å; Y413-I438 HydrophobicContact CE1-CD1 4.08Å; V424-I438 HydrophobicContact CB-CD1 4.42Å; V424-I438 HydrophobicContact CG1-CD1 3.72Å; V424-I438 HydrophobicContact CG1-CG1 4.39Å; Y425-I438 CarbonylContact C-O 3.54Å; Y425-I438 WeakPolarHBondContact CA-O 3.33Å; Y425-I438 PolarHBondContact O-N 3.46Å; A427-I438 HydrophobicContact CB-CD1 3.98Å; E436-I438 HydrophobicContact CG-CG2 3.95Å; I438-I440 HydrophobicContact CD1-CD1 4Å; I438-I440 HydrophobicContact CD1-CG1 4.35Å
439	D	94.1	Very high	93.4	Very high	108 Å²	108	56.7 Å²	56.7	58%	0.578	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.6	85.8	176	-160.9	-19.2	0	0	0	110.1	K423	K423-D439 WeakPolarHBondContact CD-OD1 3.48Å; K423-D439 IonicContact NZ-OD1 2.64Å; K423-D439 PolarHBondContact NZ-OD1 3.38Å; K423-D439 IonicContact NZ-OD2 3.93Å; K423-D439 PolarHBondContact NZ-OD2 2.82Å
440	I	94.6	Very high	93.5	Very high	19 Å²	19	55.4 Å²	55.4	10%	0.097	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	94.6	176.7	-52.2	177.1	0	0	0	107.8	L230 I233 K423 V424 I438	L230-I440 HydrophobicContact CB-CD1 4.25Å; L230-I440 HydrophobicContact CD2-CD1 4.1Å; L230-I440 HydrophobicContact CG-CD1 3.86Å; L230-I440 VanDerWaalsContact O-CD1 3.23Å; L230-I440 WeakPolarHBondContact O-CD1 2.97Å; I233-I440 HydrophobicContact CD1-CG2 4.4Å; I233-I440 HydrophobicContact CG1-CG2 4.19Å; K423-I440 CarbonylContact C-O 3.57Å; K423-I440 VanDerWaalsContact CA-O 3.3Å; K423-I440 WeakPolarHBondContact CA-O 3.31Å; K423-I440 WeakPolarHBondContact CB-O 3.09Å; V424-I440 HydrophobicContact CB-CB 4.21Å; V424-I440 PolarHBondContact N-O 2.86Å; V424-I440 PolarHBondContact O-N 3.27Å; I438-I440 HydrophobicContact CD1-CD1 4Å; I438-I440 HydrophobicContact CD1-CG1 4.35Å
441	A	95.3	Very high	93.8	Very high	71 Å²	71	55.4 Å²	55.4	59%	0.587	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	144.6	176.8	0	0	0	0	0	111.4	K423	K423-A441 HydrophobicContact CB-CB 4.47Å
442	F	96.6	Very high	94.4	Very high	13 Å²	13	49 Å²	49	6%	0.057	26%	0.255	C	S	.	.			trans	-146.7	150.2	171.3	69.1	-83.8	0	0	0	110	I233 T415 T422 V424 N444 I449 L452 Y472	I233-F442 HydrophobicContact CB-CB 3.8Å; I233-F442 HydrophobicContact CD1-CB 4.03Å; I233-F442 HydrophobicContact CD1-CD1 3.92Å; I233-F442 HydrophobicContact CD1-CG 4.08Å; I233-F442 HydrophobicContact CG2-CB 3.65Å; I233-F442 HydrophobicContact CG2-CG 4.33Å; T415-F442 HydrophobicContact CG2-CE1 3.79Å; T415-F442 HydrophobicContact CG2-CZ 3.88Å; T422-F442 HydrophobicContact CG2-CZ 4.48Å; T422-F442 PolarHBondContact O-N 2.88Å; T422-F442 PolarHBondContact OG1-O 3.02Å; V424-F442 HydrophobicContact CG2-CD1 4.34Å; V424-F442 HydrophobicContact CG2-CE1 4.27Å; F442-N444 PolarHBondContact O-N 2.99Å; F442-I449 HydrophobicContact CE2-CD1 3.56Å; F442-I449 HydrophobicContact CZ-CD1 4.09Å; F442-L452 HydrophobicContact CE2-CD2 4.5Å; F442-L452 HydrophobicContact CZ-CD2 4.16Å; F442-Y472 HydrophobicContact CD2-CD1 4.49Å; F442-Y472 AromaticContact CD2-CE1 3.98Å; F442-Y472 HydrophobicContact CD2-CE1 3.98Å
443	Q	95.8	Very high	95.1	Very high	102 Å²	102	47.6 Å²	47.6	48%	0.477	24%	0.244	S	C	.	.			trans	-80.6	112.4	-172.1	-175.2	-174.1	24.6	0	0	112	P236 K445 Y472	P236-Q443 HydrophobicContact CG-CB 4.16Å; P236-Q443 HydrophobicContact CG-CG 4.31Å; Q443-K445 PolarHBondContact O-N 3.21Å; Q443-K445 VanDerWaalsContact O-N 3.12Å; Q443-Y472 WeakPolarHBondContact O-CE1 3.2Å; Q443-Y472 PolarHBondContact O-OH 3.3Å
444	N	96.8	Very high	95.5	Very high	17 Å²	17	45.3 Å²	45.3	9%	0.091	23%	0.227	C	C	.	.			trans	-79.3	86.8	165.3	-177.9	-3.4	0	0	0	110.8	Y418 T422 F442 Y446 S447 H448 I449 N465	Y418-N444 PolarHBondContact O-ND2 3.3Å; T422-N444 HydrophobicContact CG2-CB 3.78Å; T422-N444 VanDerWaalsContact OG1-CB 3.25Å; T422-N444 WeakPolarHBondContact OG1-CB 3.49Å; T422-N444 PolarHBondContact OG1-N 3.36Å; F442-N444 PolarHBondContact O-N 2.99Å; N444-Y446 VanDerWaalsContact C-N 3.33Å; N444-Y446 PolarHBondContact O-N 2.82Å; N444-S447 PolarHBondContact O-N 2.8Å; N444-S447 VanDerWaalsContact OD1-CA 3.31Å; N444-S447 WeakPolarHBondContact OD1-CA 2.96Å; N444-S447 PolarHBondContact OD1-N 3.03Å; N444-H448 PolarHBondContact OD1-N 2.88Å; N444-I449 HydrophobicContact CB-CD1 4.15Å; N444-N465 PolarHBondContact OD1-ND2 2.79Å; N444-N465 PolarHBondContact OD1-OD1 3.41Å
445	K	96.3	Very high	95.9	Very high	92 Å²	92	44.2 Å²	44.2	40%	0.4	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.6	-171.8	-174.2	172.7	-178.5	179.8	0	114.3	P236 T238 Q443 N465	P236-K445 HydrophobicContact CB-CB 4.39Å; P236-K445 HydrophobicContact CB-CD 4.43Å; P236-K445 HydrophobicContact CG-CB 3.78Å; P236-K445 HydrophobicContact CG-CD 4.02Å; P236-K445 HydrophobicContact CG-CG 4.47Å; T238-K445 PolarHBondContact OG1-NZ 2.96Å; Q443-K445 PolarHBondContact O-N 3.21Å; Q443-K445 VanDerWaalsContact O-N 3.12Å; K445-N465 PolarHBondContact N-OD1 3.05Å
446	Y	97	Very high	95.8	Very high	52 Å²	52	39 Å²	39	20%	0.204	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	22.8	-176.1	-53.6	-78.4	0	0	0	113.1	T238 N444 H448 N465 N466 H468 V470	T238-Y446 HydrophobicContact CG2-CE2 4.36Å; T238-Y446 WeakPolarHBondContact CG2-OH 3.21Å; T238-Y446 PolarHBondContact OG1-OH 3.24Å; N444-Y446 VanDerWaalsContact C-N 3.33Å; N444-Y446 PolarHBondContact O-N 2.82Å; Y446-H448 PolarHBondContact O-N 3.13Å; Y446-N465 WeakPolarHBondContact CB-O 3.43Å; Y446-N465 WeakPolarHBondContact CB-OD1 3.41Å; Y446-N465 HydrophobicContact CD2-CB 4.09Å; Y446-N465 WeakPolarHBondContact CD2-OD1 3.46Å; Y446-N465 PolarHBondContact N-OD1 3.4Å; Y446-N466 WeakPolarHBondContact O-CB 3.33Å; Y446-H468 AromaticContact CD1-CD2 3.39Å; Y446-H468 WeakPolarHBondContact CD1-CD2 3.49Å; Y446-H468 AromaticContact CD1-CG 3.95Å; Y446-H468 AromaticContact CD1-NE2 3.48Å; Y446-H468 WeakPolarHBondContact CD1-NE2 3.21Å; Y446-H468 HydrophobicContact CD2-CB 3.65Å; Y446-H468 AromaticContact CD2-CD2 3.75Å; Y446-H468 AromaticContact CD2-CG 3.74Å; Y446-H468 AromaticContact CE1-CD2 3.66Å; Y446-H468 AromaticContact CE1-CE1 3.66Å; Y446-H468 AromaticContact CE1-CG 3.82Å; Y446-H468 AromaticContact CE1-ND1 3.82Å; Y446-H468 AromaticContact CE1-NE2 3.56Å; Y446-H468 HydrophobicContact CE2-CB 3.54Å; Y446-H468 AromaticContact CE2-CG 3.61Å; Y446-H468 HydrophobicContact CG-CB 4.26Å; Y446-H468 AromaticContact CG-CD2 3.42Å; Y446-H468 VanDerWaalsContact CG-CD2 3.42Å; Y446-H468 AromaticContact CG-CG 3.9Å; Y446-H468 AromaticContact CZ-CD2 3.95Å; Y446-H468 AromaticContact CZ-CG 3.63Å; Y446-H468 AromaticContact CZ-ND1 3.68Å; Y446-V470 HydrophobicContact CD2-CG2 4.1Å; Y446-V470 HydrophobicContact CE2-CG2 3.85Å
447	S	94.3	Very high	95.6	Very high	79 Å²	79	38.8 Å²	38.8	55%	0.552	20%	0.197	S	C	*	.	S	Bend	trans	61.9	-4.9	168.8	-53.8	0	0	0	0	117.8	S419 N444	S419-S447 WeakPolarHBondContact CA-O 3.43Å; S419-S447 WeakPolarHBondContact CB-O 3.2Å; N444-S447 PolarHBondContact O-N 2.8Å; N444-S447 VanDerWaalsContact OD1-CA 3.31Å; N444-S447 WeakPolarHBondContact OD1-CA 2.96Å; N444-S447 PolarHBondContact OD1-N 3.03Å
448	H	97.4	Very high	95.4	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.056	18%	0.182	C	C	.	.			trans	-147.3	104.9	-180	-173.1	-67.5	0	0	0	112	R245 F246 Y418 N444 Y446 N465 N466	R245-H448 PolarHBondContact NH2-CD2 3.06Å; F246-H448 AromaticContact CD1-CE1 3.86Å; F246-H448 AromaticContact CE1-CE1 3.44Å; F246-H448 VanDerWaalsContact CE1-CE1 3.44Å; F246-H448 WeakPolarHBondContact CE1-CE1 3.09Å; F246-H448 AromaticContact CE1-NE2 3.86Å; Y418-H448 AromaticContact CD2-CD2 3.55Å; Y418-H448 AromaticContact CD2-NE2 3.59Å; Y418-H448 AromaticContact CE2-CD2 3.68Å; Y418-H448 AromaticContact CE2-NE2 3.73Å; Y418-H448 CarbonylContact O-C 3.52Å; Y418-H448 WeakPolarHBondContact O-CA 3.36Å; N444-H448 PolarHBondContact OD1-N 2.88Å; Y446-H448 PolarHBondContact O-N 3.13Å; H448-N465 PolarHBondContact N-ND2 2.97Å; H448-N465 CarbonylContact O-C 3.57Å; H448-N465 VanDerWaalsContact O-CA 3.27Å; H448-N465 WeakPolarHBondContact O-CA 3.3Å; H448-N465 PolarHBondContact O-ND2 3.49Å; H448-N466 HydrophobicContact CB-CB 4.13Å; H448-N466 PolarHBondContact O-N 2.92Å
449	I	98.4	Very high	95.2	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.3	176.1	-62	173.1	0	0	0	108.8	E404 Y418 F442 N444 M451 L452 W464 N465	E404-I449 HydrophobicContact CG-CG2 4.29Å; Y418-I449 WeakPolarHBondContact CB-O 3.38Å; Y418-I449 PolarHBondContact O-N 3.29Å; F442-I449 HydrophobicContact CE2-CD1 3.56Å; F442-I449 HydrophobicContact CZ-CD1 4.09Å; N444-I449 HydrophobicContact CB-CD1 4.15Å; I449-M451 WeakPolarHBondContact CG2-O 3.46Å; I449-L452 HydrophobicContact CG2-CB 4.19Å; I449-W464 WeakPolarHBondContact CA-O 3.37Å; I449-N465 HydrophobicContact CG1-CB 4.45Å; I449-N465 WeakPolarHBondContact CG1-ND2 3.38Å
450	S	97.9	Very high	95.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	1.8	177.9	64	0	0	0	0	113.8	T301 W349 W464	T301-S450 WeakPolarHBondContact CB-O 3.44Å; T301-S450 PolarHBondContact OG1-O 3.18Å; W349-S450 VanDerWaalsContact CZ2-O 3.25Å; W349-S450 WeakPolarHBondContact CZ2-O 3.38Å; S450-W464 PolarHBondContact N-O 2.76Å; S450-W464 PolarHBondContact OG-O 2.82Å
451	M	98.6	Very high	95.3	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	137.5	176.8	174.8	-103.5	171.7	0	0	107.1	G247 W249 M250 I449 D453 Y462 A463 W464	G247-M451 WeakPolarHBondContact O-CB 3.23Å; W249-M451 WeakPolarHBondContact O-CE 3.48Å; M250-M451 HydrophobicContact CE-CE 4.43Å; I449-M451 WeakPolarHBondContact CG2-O 3.46Å; M451-D453 HydrophobicContact CE-CB 3.44Å; M451-D453 VanDerWaalsContact CE-CB 3.44Å; M451-D453 WeakPolarHBondContact CE-OD2 3.05Å; M451-Y462 VanDerWaalsContact SD-O 3.4Å; M451-A463 WeakPolarHBondContact O-CA 3.38Å; M451-W464 HydrophobicContact CB-CB 3.94Å; M451-W464 PolarHBondContact O-N 2.82Å
452	L	98.7	Very high	95.4	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	89.4	177.7	-174.5	68.3	0	0	0	109.5	E404 F406 T415 F442 I449 L461 Y462 A463 Y472	E404-L452 HydrophobicContact CB-CB 3.96Å; E404-L452 HydrophobicContact CG-CB 4.09Å; F406-L452 HydrophobicContact CD1-CD2 3.82Å; F406-L452 HydrophobicContact CD1-CG 4.05Å; F406-L452 HydrophobicContact CE1-CD2 3.76Å; F406-L452 HydrophobicContact CE1-CG 4.37Å; T415-L452 HydrophobicContact CG2-CD2 3.91Å; F442-L452 HydrophobicContact CE2-CD2 4.5Å; F442-L452 HydrophobicContact CZ-CD2 4.16Å; I449-L452 HydrophobicContact CG2-CB 4.19Å; L452-L461 HydrophobicContact CD1-CB 3.8Å; L452-L461 HydrophobicContact CD1-CD1 4.2Å; L452-L461 HydrophobicContact CG-CB 4.49Å; L452-L461 HydrophobicContact CG-CD1 4.46Å; L452-Y462 CarbonylContact C-O 3.6Å; L452-Y462 VanDerWaalsContact CA-O 3.28Å; L452-Y462 WeakPolarHBondContact CA-O 3.39Å; L452-A463 HydrophobicContact CD1-CB 3.75Å; L452-Y472 HydrophobicContact CD1-CD2 4.29Å; L452-Y472 HydrophobicContact CD1-CE2 4.32Å
453	D	98.2	Very high	95.5	Very high	9 Å²	9	24.6 Å²	24.6	5%	0.048	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.1	179.6	-74.3	-38.2	0	0	0	112.8	M451 L461 Y462	M451-D453 HydrophobicContact CE-CB 3.44Å; M451-D453 VanDerWaalsContact CE-CB 3.44Å; M451-D453 WeakPolarHBondContact CE-OD2 3.05Å; D453-L461 CarbonylContact O-C 3.57Å; D453-L461 VanDerWaalsContact O-CA 3.26Å; D453-L461 WeakPolarHBondContact O-CA 3.41Å; D453-Y462 PolarHBondContact N-O 2.91Å; D453-Y462 PolarHBondContact O-N 3.18Å
454	Y	98.5	Very high	95.7	Very high	10 Å²	10	19.7 Å²	19.7	4%	0.039	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	138.8	171.1	177	-115	0	0	0	111.9	D360 E361 M407 I408 P456 L461 V474	D360-Y454 HydrophobicContact CB-CD1 4.4Å; E361-Y454 VanDerWaalsContact OE1-CE1 3.28Å; E361-Y454 WeakPolarHBondContact OE1-CE1 3.45Å; E361-Y454 PolarHBondContact OE1-OH 3.33Å; M407-Y454 WeakPolarHBondContact O-CB 3.4Å; M407-Y454 WeakPolarHBondContact O-CD1 3.31Å; I408-Y454 HydrophobicContact CB-CD1 4.42Å; I408-Y454 HydrophobicContact CB-CE1 4.33Å; I408-Y454 HydrophobicContact CD1-CD2 3.89Å; I408-Y454 HydrophobicContact CD1-CE2 4.07Å; I408-Y454 HydrophobicContact CD1-CG 4.23Å; I408-Y454 HydrophobicContact CG1-CD1 3.81Å; I408-Y454 HydrophobicContact CG1-CD2 3.82Å; I408-Y454 HydrophobicContact CG1-CE1 4.06Å; I408-Y454 HydrophobicContact CG1-CE2 4.1Å; I408-Y454 HydrophobicContact CG1-CG 3.66Å; I408-Y454 HydrophobicContact CG2-CE1 4.05Å; I408-Y454 HydrophobicContact CG2-CE2 4.49Å; Y454-P456 HydrophobicContact CD1-CB 4.37Å; Y454-P456 VanDerWaalsContact CE1-CA 3.49Å; Y454-P456 HydrophobicContact CE1-CB 3.69Å; Y454-L461 HydrophobicContact CD2-CD2 4.22Å; Y454-V474 HydrophobicContact CD2-CG2 4.43Å; Y454-V474 HydrophobicContact CE2-CG2 3.81Å
455	N	96.7	Very high	95.7	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.032	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112.4	167.9	-171	-45	0	0	0	110.3	T251 R457 D458 R459 A460 Y462	T251-N455 PolarHBondContact O-ND2 2.65Å; T251-N455 PolarHBondContact OG1-ND2 3.09Å; N455-R457 VanDerWaalsContact C-N 3.26Å; N455-R457 PolarHBondContact O-N 2.86Å; N455-R457 WeakPolarHBondContact OD1-CA 3.28Å; N455-R457 VanDerWaalsContact OD1-CB 3.25Å; N455-R457 WeakPolarHBondContact OD1-CB 3.48Å; N455-R457 PolarHBondContact OD1-N 3.49Å; N455-D458 HydrophobicContact CB-CB 4.48Å; N455-D458 PolarHBondContact O-N 2.82Å; N455-D458 PolarHBondContact OD1-N 3.17Å; N455-R459 WeakPolarHBondContact O-CA 3.4Å; N455-R459 PolarHBondContact O-N 3.11Å; N455-A460 PolarHBondContact N-O 2.87Å; N455-Y462 HydrophobicContact CB-CD2 3.82Å; N455-Y462 HydrophobicContact CB-CE2 3.54Å
456	P	90.9	Very high	95.8	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.026	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.3	-178.2	27.4	-35.3	0	0	0	114.4	Q223 P253 V359 E361 Y454	Q223-P456 PolarHBondContact NE2-O 3.16Å; P253-P456 HydrophobicContact CB-CG 3.79Å; P253-P456 HydrophobicContact CG-CG 4.28Å; V359-P456 HydrophobicContact CG1-CG 4.2Å; E361-P456 HydrophobicContact CG-CB 3.98Å; Y454-P456 HydrophobicContact CD1-CB 4.37Å; Y454-P456 VanDerWaalsContact CE1-CA 3.49Å; Y454-P456 HydrophobicContact CE1-CB 3.69Å
457	R	88.1	Confident	95.9	Very high	41 Å²	41	15.5 Å²	15.5	16%	0.155	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-50.9	172.1	174.6	-179.5	-66.1	-129.6	-14.6	110.5	P253 A255 N455	P253-R457 HydrophobicContact CB-CB 4.08Å; P253-R457 VanDerWaalsContact O-CZ 3.27Å; P253-R457 PolarHBondContact O-NE 2.91Å; P253-R457 PolarHBondContact O-NH2 2.8Å; A255-R457 PolarHBondContact O-NH1 3.39Å; A255-R457 PolarHBondContact O-NH2 2.89Å; N455-R457 VanDerWaalsContact C-N 3.26Å; N455-R457 PolarHBondContact O-N 2.86Å; N455-R457 WeakPolarHBondContact OD1-CA 3.28Å; N455-R457 VanDerWaalsContact OD1-CB 3.25Å; N455-R457 WeakPolarHBondContact OD1-CB 3.48Å; N455-R457 PolarHBondContact OD1-N 3.49Å
458	D	86.3	Confident	96.1	Very high	45 Å²	45	13.4 Å²	13.4	24%	0.241	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-15	-173.1	-58.3	-31.4	0	0	0	112.9	T251 N455 A460 Y462	T251-D458 PolarHBondContact OG1-OD2 3.48Å; N455-D458 HydrophobicContact CB-CB 4.48Å; N455-D458 PolarHBondContact O-N 2.82Å; N455-D458 PolarHBondContact OD1-N 3.17Å; D458-A460 VanDerWaalsContact C-N 3.27Å; D458-A460 HydrophobicContact CB-CB 4.27Å; D458-A460 PolarHBondContact O-N 2.71Å; D458-Y462 PolarHBondContact OD2-OH 3.39Å
459	R	87.6	Confident	96.1	Very high	32 Å²	32	12.8 Å²	12.8	12%	0.121	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	48	-171.7	-58.7	175.5	168.9	-136.2	-33.2	111.5	S23 A226 N455 V474	S23-R459 PolarHBondContact O-NH1 2.86Å; A226-R459 PolarHBondContact O-NH2 2.8Å; N455-R459 WeakPolarHBondContact O-CA 3.4Å; N455-R459 PolarHBondContact O-N 3.11Å; R459-V474 HydrophobicContact CB-CG2 4.35Å; R459-V474 VanDerWaalsContact O-CG2 3.27Å; R459-V474 WeakPolarHBondContact O-CG2 3.49Å; R459-V474 PolarHBondContact O-N 2.77Å
460	A	92.7	Very high	96.1	Very high	3 Å²	3	12.6 Å²	12.6	3%	0.025	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.7	-178.4	0	0	0	0	0	110.7	N455 D458 L471 Y472	N455-A460 PolarHBondContact N-O 2.87Å; D458-A460 VanDerWaalsContact C-N 3.27Å; D458-A460 HydrophobicContact CB-CB 4.27Å; D458-A460 PolarHBondContact O-N 2.71Å; A460-L471 HydrophobicContact CB-CD2 4.31Å; A460-Y472 CarbonylContact C-O 3.59Å; A460-Y472 WeakPolarHBondContact CA-O 3.46Å; A460-Y472 WeakPolarHBondContact CB-O 3.12Å
461	L	98.5	Very high	96	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.8	167.9	-57.9	171.2	0	0	0	109	I233 F406 L452 D453 Y454 L471 Y472 V474	I233-L461 HydrophobicContact CD1-CD1 3.94Å; I233-L461 HydrophobicContact CG1-CD1 4.37Å; I233-L461 HydrophobicContact CG2-CD1 4.42Å; F406-L461 HydrophobicContact CB-CD2 4.37Å; F406-L461 HydrophobicContact CD1-CD2 4.04Å; F406-L461 HydrophobicContact CD2-CD2 3.64Å; F406-L461 HydrophobicContact CE1-CD1 3.97Å; F406-L461 HydrophobicContact CE1-CD2 4.21Å; F406-L461 HydrophobicContact CE2-CD1 4.3Å; F406-L461 HydrophobicContact CE2-CD2 3.82Å; F406-L461 HydrophobicContact CG-CD2 3.75Å; F406-L461 HydrophobicContact CZ-CD1 3.84Å; F406-L461 HydrophobicContact CZ-CD2 4.11Å; L452-L461 HydrophobicContact CD1-CB 3.8Å; L452-L461 HydrophobicContact CD1-CD1 4.2Å; L452-L461 HydrophobicContact CG-CB 4.49Å; L452-L461 HydrophobicContact CG-CD1 4.46Å; D453-L461 CarbonylContact O-C 3.57Å; D453-L461 VanDerWaalsContact O-CA 3.26Å; D453-L461 WeakPolarHBondContact O-CA 3.41Å; Y454-L461 HydrophobicContact CD2-CD2 4.22Å; L461-L471 WeakPolarHBondContact O-CA 3.36Å; L461-Y472 HydrophobicContact CB-CD2 4.32Å; L461-Y472 PolarHBondContact N-O 2.87Å; L461-Y472 PolarHBondContact O-N 3.43Å; L461-V474 HydrophobicContact CD1-CG1 3.96Å; L461-V474 HydrophobicContact CD2-CG1 4.36Å; L461-V474 HydrophobicContact CG-CG1 3.71Å
462	Y	98.7	Very high	95.8	Very high	4 Å²	4	13 Å²	13	2%	0.016	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124	170.6	-76.5	-113.7	0	0	0	108.3	W249 T251 M280 M451 L452 D453 N455 D458 L471	W249-Y462 AromaticContact CD2-CD1 3.81Å; W249-Y462 HydrophobicContact CD2-CD1 3.81Å; W249-Y462 HydrophobicContact CD2-CE1 4.44Å; W249-Y462 AromaticContact CE2-CD1 3.65Å; W249-Y462 AromaticContact CE3-CD1 3.79Å; W249-Y462 HydrophobicContact CE3-CD1 3.79Å; W249-Y462 AromaticContact CE3-CE1 3.96Å; W249-Y462 HydrophobicContact CE3-CE1 3.96Å; W249-Y462 AromaticContact CH2-CD1 3.48Å; W249-Y462 HydrophobicContact CH2-CD1 3.48Å; W249-Y462 VanDerWaalsContact CH2-CD1 3.48Å; W249-Y462 AromaticContact CH2-CE1 3.53Å; W249-Y462 HydrophobicContact CH2-CE1 3.53Å; W249-Y462 HydrophobicContact CH2-CG 4.47Å; W249-Y462 AromaticContact CZ2-CD1 3.5Å; W249-Y462 HydrophobicContact CZ2-CD1 3.5Å; W249-Y462 VanDerWaalsContact CZ2-CD1 3.5Å; W249-Y462 HydrophobicContact CZ2-CE1 4.07Å; W249-Y462 HydrophobicContact CZ2-CG 4.21Å; W249-Y462 AromaticContact CZ3-CD1 3.65Å; W249-Y462 HydrophobicContact CZ3-CD1 3.65Å; W249-Y462 AromaticContact CZ3-CE1 3.5Å; W249-Y462 HydrophobicContact CZ3-CE1 3.5Å; W249-Y462 VanDerWaalsContact CZ3-CE1 3.5Å; T251-Y462 HydrophobicContact CG2-CE1 4.19Å; T251-Y462 PolarHBondContact OG1-OH 3.37Å; M280-Y462 HydrophobicContact CE-CE1 4.33Å; M451-Y462 VanDerWaalsContact SD-O 3.4Å; L452-Y462 CarbonylContact C-O 3.6Å; L452-Y462 VanDerWaalsContact CA-O 3.28Å; L452-Y462 WeakPolarHBondContact CA-O 3.39Å; D453-Y462 PolarHBondContact N-O 2.91Å; D453-Y462 PolarHBondContact O-N 3.18Å; N455-Y462 HydrophobicContact CB-CD2 3.82Å; N455-Y462 HydrophobicContact CB-CE2 3.54Å; D458-Y462 PolarHBondContact OD2-OH 3.39Å; Y462-L471 HydrophobicContact CD1-CD2 3.74Å; Y462-L471 HydrophobicContact CD2-CD2 3.54Å; Y462-L471 HydrophobicContact CE1-CD2 3.79Å; Y462-L471 HydrophobicContact CE2-CD2 3.59Å; Y462-L471 HydrophobicContact CG-CD2 3.6Å
463	A	98.8	Very high	95.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.4	-178	0	0	0	0	0	112.5	W249 M451 L452 V470 Y472	W249-A463 PolarHBondContact NE1-O 3.03Å; M451-A463 WeakPolarHBondContact O-CA 3.38Å; L452-A463 HydrophobicContact CD1-CB 3.75Å; A463-V470 HydrophobicContact CB-CB 4.39Å; A463-V470 PolarHBondContact N-O 3.34Å; A463-V470 PolarHBondContact O-N 2.85Å; A463-Y472 HydrophobicContact CB-CD2 4.25Å; A463-Y472 HydrophobicContact CB-CE2 3.67Å
464	W	98.8	Very high	94.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.9	161.9	-166.5	-73.7	0	0	0	109.4	S244 R245 F246 G247 Y264 D266 I449 S450 M451 Q469	S244-W464 VanDerWaalsContact O-CZ2 3.31Å; S244-W464 WeakPolarHBondContact O-CZ2 3.28Å; S244-W464 PolarHBondContact O-NE1 3.31Å; R245-W464 PolarHBondContact O-NE1 3.36Å; R245-W464 VanDerWaalsContact O-NE1 3.15Å; F246-W464 VanDerWaalsContact C-CE2 3.48Å; G247-W464 VanDerWaalsContact C-CD2 3.49Å; G247-W464 WeakPolarHBondContact O-CB 3.43Å; Y264-W464 HydrophobicContact CD2-CH2 4.36Å; Y264-W464 AromaticContact CD2-CZ3 3.84Å; Y264-W464 HydrophobicContact CD2-CZ3 3.84Å; Y264-W464 HydrophobicContact CE1-CH2 4.17Å; Y264-W464 HydrophobicContact CE1-CZ3 4.47Å; Y264-W464 HydrophobicContact CE2-CE3 4.47Å; Y264-W464 AromaticContact CE2-CH2 3.47Å; Y264-W464 HydrophobicContact CE2-CH2 3.47Å; Y264-W464 VanDerWaalsContact CE2-CH2 3.47Å; Y264-W464 AromaticContact CE2-CZ3 3.33Å; Y264-W464 HydrophobicContact CE2-CZ3 3.33Å; Y264-W464 AromaticContact CZ-CH2 3.35Å; Y264-W464 AromaticContact CZ-CZ3 3.69Å; Y264-W464 WeakPolarHBondContact OH-CH2 3.25Å; D266-W464 HydrophobicContact CB-CH2 4.48Å; I449-W464 WeakPolarHBondContact CA-O 3.37Å; S450-W464 PolarHBondContact N-O 2.76Å; S450-W464 PolarHBondContact OG-O 2.82Å; M451-W464 HydrophobicContact CB-CB 3.94Å; M451-W464 PolarHBondContact O-N 2.82Å; W464-Q469 HydrophobicContact CE3-CG 4.09Å; W464-Q469 HydrophobicContact CZ3-CG 4.33Å; W464-Q469 VanDerWaalsContact CZ3-NE2 3.3Å
465	N	98.3	Very high	93.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	91	-173.6	-166.8	-158.6	0	0	0	109.9	N444 K445 Y446 H448 I449 G467 H468 V470	N444-N465 PolarHBondContact OD1-ND2 2.79Å; N444-N465 PolarHBondContact OD1-OD1 3.41Å; K445-N465 PolarHBondContact N-OD1 3.05Å; Y446-N465 WeakPolarHBondContact CB-O 3.43Å; Y446-N465 WeakPolarHBondContact CB-OD1 3.41Å; Y446-N465 HydrophobicContact CD2-CB 4.09Å; Y446-N465 WeakPolarHBondContact CD2-OD1 3.46Å; Y446-N465 PolarHBondContact N-OD1 3.4Å; H448-N465 PolarHBondContact N-ND2 2.97Å; H448-N465 CarbonylContact O-C 3.57Å; H448-N465 VanDerWaalsContact O-CA 3.27Å; H448-N465 WeakPolarHBondContact O-CA 3.3Å; H448-N465 PolarHBondContact O-ND2 3.49Å; I449-N465 HydrophobicContact CG1-CB 4.45Å; I449-N465 WeakPolarHBondContact CG1-ND2 3.38Å; N465-G467 PolarHBondContact O-N 3.28Å; N465-H468 PolarHBondContact N-O 3.22Å; N465-H468 WeakPolarHBondContact O-CB 3.42Å; N465-H468 PolarHBondContact O-CD2 2.79Å; N465-H468 PolarHBondContact O-N 3.06Å; N465-V470 HydrophobicContact CB-CG2 4.12Å
466	N	97.8	Very high	92.7	Very high	64 Å²	64	20 Å²	20	34%	0.342	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	44	175.5	-159.9	45	0	0	0	114.7	R245 Y446 H448	R245-N466 WeakPolarHBondContact CG-OD1 3.45Å; R245-N466 PolarHBondContact NE-OD1 2.8Å; Y446-N466 WeakPolarHBondContact O-CB 3.33Å; H448-N466 HydrophobicContact CB-CB 4.13Å; H448-N466 PolarHBondContact O-N 2.92Å
467	G	97.8	Very high	91.3	Very high	8 Å²	8	22.4 Å²	22.4	8%	0.082	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	8.1	-176.8	0	0	0	0	0	114.7	S242 S244 N465	S242-G467 PolarHBondContact N-O 2.88Å; S244-G467 VanDerWaalsContact O-CA 3.24Å; S244-G467 WeakPolarHBondContact O-CA 3.44Å; N465-G467 PolarHBondContact O-N 3.28Å
468	H	98.6	Very high	89.6	Confident	35 Å²	35	22.3 Å²	22.3	16%	0.162	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.3	172.4	-56	-91	0	0	0	110.4	T238 K240 T241 Y446 N465 V470	T238-H468 HydrophobicContact CG2-CB 4.42Å; K240-H468 WeakPolarHBondContact O-CA 3.28Å; T241-H468 WeakPolarHBondContact CG2-CE1 3.35Å; T241-H468 WeakPolarHBondContact CG2-ND1 3.3Å; T241-H468 PolarHBondContact OG1-CE1 2.9Å; T241-H468 PolarHBondContact OG1-ND1 2.86Å; Y446-H468 AromaticContact CD1-CD2 3.39Å; Y446-H468 WeakPolarHBondContact CD1-CD2 3.49Å; Y446-H468 AromaticContact CD1-CG 3.95Å; Y446-H468 AromaticContact CD1-NE2 3.48Å; Y446-H468 WeakPolarHBondContact CD1-NE2 3.21Å; Y446-H468 HydrophobicContact CD2-CB 3.65Å; Y446-H468 AromaticContact CD2-CD2 3.75Å; Y446-H468 AromaticContact CD2-CG 3.74Å; Y446-H468 AromaticContact CE1-CD2 3.66Å; Y446-H468 AromaticContact CE1-CE1 3.66Å; Y446-H468 AromaticContact CE1-CG 3.82Å; Y446-H468 AromaticContact CE1-ND1 3.82Å; Y446-H468 AromaticContact CE1-NE2 3.56Å; Y446-H468 HydrophobicContact CE2-CB 3.54Å; Y446-H468 AromaticContact CE2-CG 3.61Å; Y446-H468 HydrophobicContact CG-CB 4.26Å; Y446-H468 AromaticContact CG-CD2 3.42Å; Y446-H468 VanDerWaalsContact CG-CD2 3.42Å; Y446-H468 AromaticContact CG-CG 3.9Å; Y446-H468 AromaticContact CZ-CD2 3.95Å; Y446-H468 AromaticContact CZ-CG 3.63Å; Y446-H468 AromaticContact CZ-ND1 3.68Å; N465-H468 PolarHBondContact N-O 3.22Å; N465-H468 WeakPolarHBondContact O-CB 3.42Å; N465-H468 PolarHBondContact O-CD2 2.79Å; N465-H468 PolarHBondContact O-N 3.06Å; H468-V470 HydrophobicContact CB-CG2 4.1Å
469	Q	98.5	Very high	87.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.4	172.9	-69.3	81.2	46.3	0	0	108.4	I239 K240 S242 W249 Y264 F283 W464	I239-Q469 PolarHBondContact N-O 3.2Å; K240-Q469 HydrophobicContact CB-CB 4.36Å; K240-Q469 PolarHBondContact N-O 3.03Å; K240-Q469 PolarHBondContact O-N 3.43Å; K240-Q469 PolarHBondContact O-OE1 3.33Å; S242-Q469 PolarHBondContact O-NE2 2.91Å; S242-Q469 PolarHBondContact OG-OE1 2.84Å; W249-Q469 HydrophobicContact CB-CG 4.23Å; W249-Q469 HydrophobicContact CD2-CB 3.78Å; W249-Q469 HydrophobicContact CD2-CG 3.9Å; W249-Q469 HydrophobicContact CE3-CB 4.39Å; W249-Q469 HydrophobicContact CG-CB 4.03Å; W249-Q469 HydrophobicContact CG-CG 3.61Å; W249-Q469 HydrophobicContact CZ2-CB 4.04Å; Y264-Q469 HydrophobicContact CE2-CG 4.32Å; F283-Q469 HydrophobicContact CE1-CB 4.13Å; F283-Q469 HydrophobicContact CE1-CG 4.42Å; F283-Q469 HydrophobicContact CZ-CB 4.06Å; F283-Q469 HydrophobicContact CZ-CG 3.86Å; W464-Q469 HydrophobicContact CE3-CG 4.09Å; W464-Q469 HydrophobicContact CZ3-CG 4.33Å; W464-Q469 VanDerWaalsContact CZ3-NE2 3.3Å
470	V	97.6	Very high	84.7	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.7	-167.1	179	0	0	0	0	110	P236 V237 Y446 A463 N465 H468 Y472	P236-V470 HydrophobicContact CB-CG1 3.3Å; V237-V470 CarbonylContact O-C 3.4Å; V237-V470 VanDerWaalsContact O-CA 3.31Å; V237-V470 WeakPolarHBondContact O-CA 3.22Å; Y446-V470 HydrophobicContact CD2-CG2 4.1Å; Y446-V470 HydrophobicContact CE2-CG2 3.85Å; A463-V470 HydrophobicContact CB-CB 4.39Å; A463-V470 PolarHBondContact N-O 3.34Å; A463-V470 PolarHBondContact O-N 2.85Å; N465-V470 HydrophobicContact CB-CG2 4.12Å; H468-V470 HydrophobicContact CB-CG2 4.1Å; V470-Y472 HydrophobicContact CB-CE2 4.48Å; V470-Y472 HydrophobicContact CG1-CD2 4.37Å; V470-Y472 HydrophobicContact CG1-CE2 3.79Å
471	L	96.8	Very high	81.8	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.2	171.4	-72.1	176.6	0	0	0	111.5	I37 P236 V237 I239 W249 A460 L461 Y462	I37-L471 HydrophobicContact CD1-CD1 4.24Å; P236-L471 WeakPolarHBondContact CA-O 3.49Å; V237-L471 PolarHBondContact N-O 3.38Å; V237-L471 PolarHBondContact O-N 2.78Å; I239-L471 HydrophobicContact CD1-CD1 3.82Å; I239-L471 HydrophobicContact CD1-CG 4.2Å; I239-L471 HydrophobicContact CG1-CB 4.36Å; I239-L471 HydrophobicContact CG1-CD1 3.85Å; I239-L471 HydrophobicContact CG1-CG 3.8Å; W249-L471 HydrophobicContact CH2-CD1 4.16Å; W249-L471 HydrophobicContact CH2-CD2 3.72Å; W249-L471 HydrophobicContact CH2-CG 3.71Å; W249-L471 HydrophobicContact CZ2-CD2 3.78Å; W249-L471 HydrophobicContact CZ2-CG 3.91Å; A460-L471 HydrophobicContact CB-CD2 4.31Å; L461-L471 WeakPolarHBondContact O-CA 3.36Å; Y462-L471 HydrophobicContact CD1-CD2 3.74Å; Y462-L471 HydrophobicContact CD2-CD2 3.54Å; Y462-L471 HydrophobicContact CE1-CD2 3.79Å; Y462-L471 HydrophobicContact CE2-CD2 3.59Å; Y462-L471 HydrophobicContact CG-CD2 3.6Å
472	Y	94.4	Very high	79	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.4	166.4	-53.8	-99.4	0	0	0	109.5	I233 S234 P236 F442 Q443 L452 A460 L461 A463 V470	I233-Y472 HydrophobicContact CG2-CD1 3.77Å; I233-Y472 HydrophobicContact CG2-CG 3.91Å; S234-Y472 WeakPolarHBondContact O-CD1 3.49Å; P236-Y472 HydrophobicContact CB-CD1 4.07Å; P236-Y472 HydrophobicContact CB-CE1 3.47Å; P236-Y472 VanDerWaalsContact CB-CE1 3.47Å; P236-Y472 HydrophobicContact CG-CE1 3.94Å; F442-Y472 HydrophobicContact CD2-CD1 4.49Å; F442-Y472 AromaticContact CD2-CE1 3.98Å; F442-Y472 HydrophobicContact CD2-CE1 3.98Å; Q443-Y472 WeakPolarHBondContact O-CE1 3.2Å; Q443-Y472 PolarHBondContact O-OH 3.3Å; L452-Y472 HydrophobicContact CD1-CD2 4.29Å; L452-Y472 HydrophobicContact CD1-CE2 4.32Å; A460-Y472 CarbonylContact C-O 3.59Å; A460-Y472 WeakPolarHBondContact CA-O 3.46Å; A460-Y472 WeakPolarHBondContact CB-O 3.12Å; L461-Y472 HydrophobicContact CB-CD2 4.32Å; L461-Y472 PolarHBondContact N-O 2.87Å; L461-Y472 PolarHBondContact O-N 3.43Å; A463-Y472 HydrophobicContact CB-CD2 4.25Å; A463-Y472 HydrophobicContact CB-CE2 3.67Å; V470-Y472 HydrophobicContact CB-CE2 4.48Å; V470-Y472 HydrophobicContact CG1-CD2 4.37Å; V470-Y472 HydrophobicContact CG1-CE2 3.79Å
473	N	84.9	Confident	75.6	Confident	96 Å²	96	30.8 Å²	30.8	51%	0.513	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.3	170.3	-68.1	-20.2	0	0	0	109.2	S234	S234-N473 PolarHBondContact N-O 3.05Å; S234-N473 PolarHBondContact OG-N 2.93Å
474	V	85.6	Confident	72.4	Confident	16 Å²	16	36.9 Å²	36.9	10%	0.097	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.7	174.9	-61.6	0	0	0	0	111.3	L230 I408 Y454 R459 L461 L476	L230-V474 HydrophobicContact CD1-CB 3.72Å; L230-V474 HydrophobicContact CD1-CG1 3.92Å; I408-V474 HydrophobicContact CD1-CG1 4.41Å; I408-V474 HydrophobicContact CD1-CG2 4.46Å; Y454-V474 HydrophobicContact CD2-CG2 4.43Å; Y454-V474 HydrophobicContact CE2-CG2 3.81Å; R459-V474 HydrophobicContact CB-CG2 4.35Å; R459-V474 VanDerWaalsContact O-CG2 3.27Å; R459-V474 WeakPolarHBondContact O-CG2 3.49Å; R459-V474 PolarHBondContact O-N 2.77Å; L461-V474 HydrophobicContact CD1-CG1 3.96Å; L461-V474 HydrophobicContact CD2-CG1 4.36Å; L461-V474 HydrophobicContact CG-CG1 3.71Å; V474-L476 HydrophobicContact CB-CD2 4.4Å; V474-L476 HydrophobicContact CG2-CD2 4.06Å; V474-L476 HydrophobicContact CG2-CG 4.26Å
475	T	77.3	Confident	68.9	Low	55 Å²	55	46.8 Å²	46.8	34%	0.337	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.5	168.8	-56.8	0	0	0	0	108.4	T231 G232	T231-T475 PolarHBondContact N-O 3.18Å; T231-T475 PolarHBondContact OG1-O 2.98Å; G232-T475 PolarHBondContact N-O 3.29Å; G232-T475 PolarHBondContact O-N 2.98Å
476	L	78.3	Confident	67.4	Low	4 Å²	4	49.2 Å²	49.2	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.3	174.1	-52	-175.7	0	0	0	108.9	S23 K229 L230 I408 V474	S23-L476 PolarHBondContact OG-O 2.93Å; K229-L476 CarbonylContact O-C 3.58Å; K229-L476 WeakPolarHBondContact O-CA 3.38Å; L230-L476 HydrophobicContact CB-CD2 4.36Å; L230-L476 HydrophobicContact CD1-CD2 4.01Å; I408-L476 HydrophobicContact CD1-CD2 4.16Å; I408-L476 HydrophobicContact CG2-CD1 3.8Å; I408-L476 HydrophobicContact CG2-CD2 3.87Å; V474-L476 HydrophobicContact CB-CD2 4.4Å; V474-L476 HydrophobicContact CG2-CD2 4.06Å; V474-L476 HydrophobicContact CG2-CG 4.26Å
477	F	62.9	Low	65.8	Low	55 Å²	55	48.4 Å²	48.4	24%	0.241	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.7	167.6	-168.6	-70.6	0	0	0	107.6	A16 T19 G228 K229 T231 V479	A16-F477 HydrophobicContact CB-CE2 3.94Å; A16-F477 HydrophobicContact CB-CZ 4.43Å; T19-F477 HydrophobicContact CG2-CE1 4.37Å; G228-F477 CarbonylContact C-O 3.57Å; G228-F477 WeakPolarHBondContact CA-O 3.33Å; K229-F477 PolarHBondContact N-O 2.98Å; K229-F477 PolarHBondContact O-N 2.8Å; T231-F477 HydrophobicContact CG2-CB 3.37Å; T231-F477 HydrophobicContact CG2-CG 4.29Å; F477-V479 HydrophobicContact CB-CG2 3.88Å; F477-V479 VanDerWaalsContact CD1-CA 3.49Å; F477-V479 HydrophobicContact CD1-CB 3.52Å; F477-V479 HydrophobicContact CD1-CG1 3.81Å; F477-V479 HydrophobicContact CD1-CG2 3.05Å; F477-V479 VanDerWaalsContact CD1-N 3.31Å; F477-V479 HydrophobicContact CE1-CB 3.79Å; F477-V479 HydrophobicContact CE1-CG1 3.57Å; F477-V479 HydrophobicContact CE1-CG2 3.74Å; F477-V479 HydrophobicContact CG-CG2 3.77Å; F477-V479 PolarHBondContact O-N 2.77Å
478	H	51.6	Low	64	Low	39 Å²	39	50.6 Å²	50.6	18%	0.181	27%	0.266	C	S	.	.			trans	-69.3	80.9	165.3	-90.8	-72.8	0	0	0	108.7	T19 L225 A226 C227	T19-H478 HydrophobicContact CG2-CB 3.52Å; T19-H478 VanDerWaalsContact CG2-O 3.22Å; T19-H478 WeakPolarHBondContact CG2-O 3.36Å; L225-H478 PolarHBondContact O-CE1 3.12Å; A226-H478 WeakPolarHBondContact CA-CE1 3.21Å; A226-H478 WeakPolarHBondContact CA-NE2 3.45Å; A226-H478 PolarHBondContact O-NE2 3.3Å; C227-H478 VanDerWaalsContact C-CE1 3.49Å; C227-H478 PolarHBondContact N-CE1 3.06Å; C227-H478 VanDerWaalsContact N-CE1 3.28Å; C227-H478 PolarHBondContact O-CE1 3.24Å; C227-H478 PolarHBondContact O-ND1 3.34Å
479	V	38	Very low	62	Low	50 Å²	50	51.5 Å²	51.5	30%	0.303	27%	0.272	S	S	.	.			trans	-95.2	113.3	179	-146	0	0	0	0	104.4	K229 F477 S481	K229-V479 HydrophobicContact CB-CG2 3.87Å; K229-V479 HydrophobicContact CD-CG2 4.42Å; F477-V479 HydrophobicContact CB-CG2 3.88Å; F477-V479 VanDerWaalsContact CD1-CA 3.49Å; F477-V479 HydrophobicContact CD1-CB 3.52Å; F477-V479 HydrophobicContact CD1-CG1 3.81Å; F477-V479 HydrophobicContact CD1-CG2 3.05Å; F477-V479 VanDerWaalsContact CD1-N 3.31Å; F477-V479 HydrophobicContact CE1-CB 3.79Å; F477-V479 HydrophobicContact CE1-CG1 3.57Å; F477-V479 HydrophobicContact CE1-CG2 3.74Å; F477-V479 HydrophobicContact CG-CG2 3.77Å; F477-V479 PolarHBondContact O-N 2.77Å; V479-S481 VanDerWaalsContact CB-CB 3.5Å; V479-S481 PolarHBondContact O-N 3.41Å; V479-S481 VanDerWaalsContact O-N 3.09Å
480	I	34	Very low	59.7	Low	63 Å²	63	54.8 Å²	54.8	32%	0.323	29%	0.289	S	S	.	.			trans	-68.1	86.4	144.9	-50	179.2	0	0	0	103.5	E170 Y171 D174	E170-I480 HydrophobicContact CG-CG2 4.49Å; Y171-I480 HydrophobicContact CD2-CD1 4Å; Y171-I480 HydrophobicContact CD2-CG2 3.6Å; Y171-I480 HydrophobicContact CE2-CD1 3.54Å; Y171-I480 HydrophobicContact CE2-CG2 4.25Å; Y171-I480 HydrophobicContact CG-CG2 4.29Å; D174-I480 WeakPolarHBondContact OD2-CB 3.44Å; D174-I480 VanDerWaalsContact OD2-CG1 3.28Å; D174-I480 WeakPolarHBondContact OD2-CG1 3.36Å; D174-I480 VanDerWaalsContact OD2-CG2 3.25Å; D174-I480 WeakPolarHBondContact OD2-CG2 3.3Å
481	S	30	Very low	57.2	Low	42 Å²	42	58.4 Å²	58.4	29%	0.294	31%	0.308	S	S	.	.			trans	-134.4	100.2	-178.8	149.7	0	0	0	0	111.1	E170 V479 Q483	E170-S481 VanDerWaalsContact CD-O 3.28Å; E170-S481 WeakPolarHBondContact OE1-CA 3.28Å; E170-S481 PolarHBondContact OE1-N 2.92Å; V479-S481 VanDerWaalsContact CB-CB 3.5Å; V479-S481 PolarHBondContact O-N 3.41Å; V479-S481 VanDerWaalsContact O-N 3.09Å; S481-Q483 PolarHBondContact O-N 2.77Å
482	S	40.2	Very low	54.4	Low	26 Å²	26	61.7 Å²	61.7	18%	0.182	33%	0.326	C	S	.	.			trans	-33.5	111.4	163.6	52.7	0	0	0	0	115.3	P166 V167 E170	P166-S482 WeakPolarHBondContact O-CB 3.44Å; V167-S482 WeakPolarHBondContact CG2-OG 3.45Å; V167-S482 VanDerWaalsContact N-CB 3.29Å; E170-S482 PolarHBondContact OE1-N 2.99Å; E170-S482 WeakPolarHBondContact OE2-CA 3.34Å; E170-S482 PolarHBondContact OE2-N 3.13Å
483	Q	27.4	Very low	51.3	Low	82 Å²	82	66.5 Å²	66.5	38%	0.383	35%	0.351	S	S	.	.			trans	-142.3	90.4	144.2	-74.4	-165.9	-16.8	0	0	112.5	E170 S432 T434 S481	E170-Q483 PolarHBondContact OE2-N 3.21Å; S432-Q483 WeakPolarHBondContact CB-O 3.38Å; T434-Q483 PolarHBondContact OG1-O 3.17Å; S481-Q483 PolarHBondContact O-N 2.77Å
484	E	31.2	Very low	48.5	Very low	128 Å²	128	64 Å²	64	60%	0.598	34%	0.337	S	S	*	.			trans	63.8	108.8	148	-59.9	179.6	164.1	0	0	117.4	S432 T434	S432-E484 WeakPolarHBondContact CB-O 3.21Å; T434-E484 HydrophobicContact CG2-CB 4.26Å
485	L	25.5	Very low	45.1	Very low	208 Å²	208	68.4 Å²	68.4	100%	1.089	36%	0.359	S	S	*	.				63.6	0	85.4	-99.9	159.9	0	0	0	114.5

Retrieved 485 of 485 residues in 1579.1 ms (Link to these results)

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