A0A3Q0KQQ8_SCHMA Loading...

Putative ocrl type II inositol 5-phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 783 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	39.2	Very low	68.1	Low	204 Å²	204	84.1 Å²	84.1	100%	1.005	44%	0.443	S	S	*	.				0	-45.6	0	-64.6	-168.2	-163.6	0	0	114.8	F3	M1-F3 PolarHBondContact O-N 3.5Å
2	A	39.9	Very low	70	Confident	84 Å²	84	80.1 Å²	80.1	69%	0.694	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-26.4	-179.4	0	0	0	0	0	115.4
3	F	44.7	Very low	71.2	Confident	180 Å²	180	85.3 Å²	85.3	79%	0.789	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-35.5	179.6	-89	-89.2	0	0	0	114.3	M1 N5 T6 L7	M1-F3 PolarHBondContact O-N 3.5Å; F3-N5 PolarHBondContact O-N 3.33Å; F3-T6 PolarHBondContact O-N 3.34Å; F3-L7 PolarHBondContact O-N 3.1Å
4	G	51	Low	72.5	Confident	18 Å²	18	81.1 Å²	81.1	19%	0.186	41%	0.413	C	S	.	.	H	α-helix	trans	-64.9	-39	-178.6	0	0	0	0	0	113.6	T6 L7 S8	G4-T6 VanDerWaalsContact C-N 3.28Å; G4-T6 PolarHBondContact O-N 3.38Å; G4-L7 PolarHBondContact O-N 2.79Å; G4-S8 PolarHBondContact O-N 3.43Å; G4-S8 PolarHBondContact O-OG 3.34Å
5	N	62.3	Low	73.6	Confident	105 Å²	105	75.7 Å²	75.7	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-64.3	-30.3	178.8	-79.8	-19.2	0	0	0	113.6	F3 R9	F3-N5 PolarHBondContact O-N 3.33Å; N5-R9 VanDerWaalsContact O-CG 3.27Å; N5-R9 WeakPolarHBondContact O-CG 3.32Å; N5-R9 PolarHBondContact O-N 2.81Å
6	T	78	Confident	74.3	Confident	83 Å²	83	72.8 Å²	72.8	51%	0.509	37%	0.371	S	S	.	.	H	α-helix	trans	-75	-43.1	179.8	-53.4	0	0	0	0	111	F3 G4 R9 T10	F3-T6 PolarHBondContact O-N 3.34Å; G4-T6 VanDerWaalsContact C-N 3.28Å; G4-T6 PolarHBondContact O-N 3.38Å; T6-R9 PolarHBondContact O-N 3.22Å; T6-T10 PolarHBondContact O-N 2.76Å; T6-T10 VanDerWaalsContact O-N 3.1Å; T6-T10 PolarHBondContact O-OG1 3.15Å; T6-T10 VanDerWaalsContact O-OG1 3.12Å
7	L	84.3	Confident	74.8	Confident	25 Å²	25	75.5 Å²	75.5	13%	0.131	39%	0.386	C	S	.	.	H	α-helix	trans	-65.2	-44.4	177.2	-72.2	170.4	0	0	0	111.9	F3 G4 R9 T10 V11 A60 P62 I75	F3-L7 PolarHBondContact O-N 3.1Å; G4-L7 PolarHBondContact O-N 2.79Å; L7-R9 VanDerWaalsContact C-N 3.27Å; L7-R9 PolarHBondContact O-N 3.24Å; L7-T10 WeakPolarHBondContact O-CB 3.05Å; L7-T10 PolarHBondContact O-N 3.31Å; L7-V11 PolarHBondContact O-N 3.15Å; L7-A60 HydrophobicContact CB-CB 3.93Å; L7-P62 HydrophobicContact CD1-CB 4.24Å; L7-P62 HydrophobicContact CD1-CG 4.08Å; L7-I75 HydrophobicContact CD2-CD1 3.67Å; L7-I75 HydrophobicContact CD2-CG1 4.11Å
8	S	87.9	Confident	75.1	Confident	19 Å²	19	73.2 Å²	73.2	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-38.6	177.2	-61.4	0	0	0	0	111.9	G4 V11 Q12 A60	G4-S8 PolarHBondContact O-N 3.43Å; G4-S8 PolarHBondContact O-OG 3.34Å; S8-V11 PolarHBondContact O-N 2.95Å; S8-Q12 WeakPolarHBondContact O-CB 3.48Å; S8-Q12 PolarHBondContact O-N 2.83Å; S8-A60 PolarHBondContact OG-N 2.9Å; S8-A60 VanDerWaalsContact OG-N 3.14Å
9	R	85.5	Confident	74.9	Confident	174 Å²	174	70.7 Å²	70.7	66%	0.657	36%	0.363	S	S	*	.	H	α-helix	trans	-65.3	-38.6	173.9	-74.9	173.6	-175.5	174	1.7	112.5	N5 T6 L7 Q12 K13	N5-R9 VanDerWaalsContact O-CG 3.27Å; N5-R9 WeakPolarHBondContact O-CG 3.32Å; N5-R9 PolarHBondContact O-N 2.81Å; T6-R9 PolarHBondContact O-N 3.22Å; L7-R9 VanDerWaalsContact C-N 3.27Å; L7-R9 PolarHBondContact O-N 3.24Å; R9-Q12 PolarHBondContact O-N 3.35Å; R9-K13 WeakPolarHBondContact O-CG 3.33Å; R9-K13 PolarHBondContact O-N 2.95Å
10	T	86.8	Confident	74.2	Confident	33 Å²	33	71.3 Å²	71.3	20%	0.202	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-44.1	176.7	-56.5	0	0	0	0	111.4	T6 L7 K13 Y14 T103 L105	T6-T10 PolarHBondContact O-N 2.76Å; T6-T10 VanDerWaalsContact O-N 3.1Å; T6-T10 PolarHBondContact O-OG1 3.15Å; T6-T10 VanDerWaalsContact O-OG1 3.12Å; L7-T10 WeakPolarHBondContact O-CB 3.05Å; L7-T10 PolarHBondContact O-N 3.31Å; T10-K13 PolarHBondContact O-N 3.25Å; T10-Y14 PolarHBondContact O-N 3.32Å; T10-Y14 VanDerWaalsContact O-N 3.08Å; T10-T103 WeakPolarHBondContact CG2-OG1 3.3Å; T10-L105 HydrophobicContact CG2-CD1 3.86Å; T10-L105 HydrophobicContact CG2-CG 4.14Å
11	V	89.3	Confident	73.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-42.7	174.2	177.3	0	0	0	0	110.4	L7 S8 K13 Y14 L15 C57 A60 I75 I79 F92 L105	L7-V11 PolarHBondContact O-N 3.15Å; S8-V11 PolarHBondContact O-N 2.95Å; V11-K13 VanDerWaalsContact C-N 3.31Å; V11-K13 PolarHBondContact O-N 3.28Å; V11-Y14 WeakPolarHBondContact O-CA 3.5Å; V11-Y14 WeakPolarHBondContact O-CB 3.39Å; V11-Y14 PolarHBondContact O-N 3.08Å; V11-Y14 VanDerWaalsContact O-N 3.08Å; V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 3.18Å; V11-C57 HydrophobicContact CB-CB 4.22Å; V11-C57 HydrophobicContact CG1-CB 3.9Å; V11-A60 HydrophobicContact CG2-CB 3.84Å; V11-I75 HydrophobicContact CG2-CG2 4.28Å; V11-I79 HydrophobicContact CG1-CD1 4.06Å; V11-F92 HydrophobicContact CG1-CE2 3.75Å; V11-F92 HydrophobicContact CG1-CZ 3.99Å; V11-F92 HydrophobicContact CG2-CD2 4.29Å; V11-F92 HydrophobicContact CG2-CE2 4.1Å; V11-L105 HydrophobicContact CG2-CD1 3.98Å
12	Q	90.9	Very high	73.8	Confident	36 Å²	36	62.7 Å²	62.7	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-39	176.5	-169.3	61.9	55.4	0	0	112.5	S8 R9 Y14 L15 N16 D55 C57	S8-Q12 WeakPolarHBondContact O-CB 3.48Å; S8-Q12 PolarHBondContact O-N 2.83Å; R9-Q12 PolarHBondContact O-N 3.35Å; Q12-Y14 VanDerWaalsContact C-N 3.33Å; Q12-Y14 PolarHBondContact O-N 2.96Å; Q12-L15 PolarHBondContact O-N 2.69Å; Q12-N16 PolarHBondContact NE2-OD1 3.28Å; Q12-N16 PolarHBondContact O-N 3.38Å; Q12-N16 PolarHBondContact O-OD1 3.23Å; Q12-D55 PolarHBondContact NE2-O 3.21Å; Q12-C57 HydrophobicContact CB-CB 4.34Å
13	K	86.4	Confident	74.1	Confident	148 Å²	148	62.3 Å²	62.3	64%	0.643	33%	0.328	S	S	*	.	H	α-helix	trans	-61.3	-42	173.3	-75.5	177.5	-180	-175.2	0	111.7	R9 T10 V11 N16 L17	R9-K13 WeakPolarHBondContact O-CG 3.33Å; R9-K13 PolarHBondContact O-N 2.95Å; T10-K13 PolarHBondContact O-N 3.25Å; V11-K13 VanDerWaalsContact C-N 3.31Å; V11-K13 PolarHBondContact O-N 3.28Å; K13-N16 PolarHBondContact O-N 3.11Å; K13-L17 WeakPolarHBondContact O-CG 3.42Å; K13-L17 PolarHBondContact O-N 3.47Å; K13-L17 VanDerWaalsContact O-N 3.08Å
14	Y	88.8	Confident	74.1	Confident	26 Å²	26	59.8 Å²	59.8	10%	0.102	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-45.9	174.2	175.2	-87	0	0	0	111.4	T10 V11 Q12 N16 L17 H18 F92 L105 Y280	T10-Y14 PolarHBondContact O-N 3.32Å; T10-Y14 VanDerWaalsContact O-N 3.08Å; V11-Y14 WeakPolarHBondContact O-CA 3.5Å; V11-Y14 WeakPolarHBondContact O-CB 3.39Å; V11-Y14 PolarHBondContact O-N 3.08Å; V11-Y14 VanDerWaalsContact O-N 3.08Å; Q12-Y14 VanDerWaalsContact C-N 3.33Å; Q12-Y14 PolarHBondContact O-N 2.96Å; Y14-N16 PolarHBondContact O-N 3.01Å; Y14-L17 PolarHBondContact O-N 2.6Å; Y14-H18 AromaticContact CD2-CD2 3.98Å; Y14-H18 AromaticContact CE1-CD2 3.6Å; Y14-H18 AromaticContact CE1-NE2 3.97Å; Y14-H18 AromaticContact CE2-CD2 3.55Å; Y14-H18 AromaticContact CE2-NE2 3.26Å; Y14-H18 VanDerWaalsContact CE2-NE2 3.26Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.29Å; Y14-H18 AromaticContact CZ-CD2 3.34Å; Y14-H18 AromaticContact CZ-NE2 3.2Å; Y14-H18 PolarHBondContact O-CD2 3.35Å; Y14-H18 PolarHBondContact O-N 2.83Å; Y14-H18 PolarHBondContact OH-NE2 3.41Å; Y14-F92 AromaticContact CD1-CE1 3.67Å; Y14-F92 HydrophobicContact CD1-CE1 3.67Å; Y14-F92 HydrophobicContact CD1-CZ 4.01Å; Y14-F92 AromaticContact CE1-CE1 3.56Å; Y14-F92 HydrophobicContact CE1-CE1 3.56Å; Y14-F92 HydrophobicContact CE1-CZ 4.15Å; Y14-F92 HydrophobicContact CE2-CE1 4.49Å; Y14-F92 HydrophobicContact CG-CE1 4.2Å; Y14-L105 HydrophobicContact CD2-CB 4.07Å; Y14-Y280 HydrophobicContact CE1-CD1 4.14Å; Y14-Y280 HydrophobicContact CE1-CE1 4.34Å
15	L	89	Confident	73.6	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-43.1	177.2	-61.4	174.6	0	0	0	112.6	V11 Q12 L17 H18 S19 D55 C57 I79 F90 Y280	V11-L15 WeakPolarHBondContact O-CG 3.39Å; V11-L15 PolarHBondContact O-N 3.18Å; Q12-L15 PolarHBondContact O-N 2.69Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.31Å; L15-H18 PolarHBondContact O-N 3.26Å; L15-S19 PolarHBondContact O-N 2.77Å; L15-S19 PolarHBondContact O-OG 3.14Å; L15-D55 HydrophobicContact CD1-CB 4.24Å; L15-D55 WeakPolarHBondContact CD1-O 3.35Å; L15-C57 HydrophobicContact CD1-CB 4.02Å; L15-I79 HydrophobicContact CD1-CD1 3.93Å; L15-I79 HydrophobicContact CD1-CG1 4.46Å; L15-I79 HydrophobicContact CD1-CG2 3.76Å; L15-I79 HydrophobicContact CD2-CD1 3.57Å; L15-I79 HydrophobicContact CD2-CG2 4.19Å; L15-I79 HydrophobicContact CG-CD1 4.16Å; L15-F90 HydrophobicContact CD2-CE1 4.34Å; L15-Y280 HydrophobicContact CD2-CE1 3.79Å; L15-Y280 VanDerWaalsContact CD2-OH 3.29Å; L15-Y280 WeakPolarHBondContact CD2-OH 3.46Å
16	N	85.7	Confident	72.4	Confident	30 Å²	30	70.1 Å²	70.1	16%	0.16	36%	0.356	C	S	.	.	H	α-helix	trans	-62.8	-38.8	178.9	-64.1	-8.2	0	0	0	111.8	Q12 K13 Y14 S19 L20 L50 S53	Q12-N16 PolarHBondContact NE2-OD1 3.28Å; Q12-N16 PolarHBondContact O-N 3.38Å; Q12-N16 PolarHBondContact O-OD1 3.23Å; K13-N16 PolarHBondContact O-N 3.11Å; Y14-N16 PolarHBondContact O-N 3.01Å; N16-S19 PolarHBondContact O-N 3.44Å; N16-L20 PolarHBondContact O-N 3.21Å; N16-L50 HydrophobicContact CB-CD2 4.14Å; N16-S53 WeakPolarHBondContact OD1-CB 3.27Å
17	L	82	Confident	70.3	Confident	119 Å²	119	69.9 Å²	69.9	62%	0.623	36%	0.357	S	S	*	.	H	α-helix	trans	-64	-42.6	177.1	-72.5	167.5	0	0	0	112.2	K13 Y14 L15 L20 S21	K13-L17 WeakPolarHBondContact O-CG 3.42Å; K13-L17 PolarHBondContact O-N 3.47Å; K13-L17 VanDerWaalsContact O-N 3.08Å; Y14-L17 PolarHBondContact O-N 2.6Å; L15-L17 VanDerWaalsContact C-N 3.31Å; L15-L17 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 3.15Å; L17-S21 PolarHBondContact O-N 2.98Å
18	H	80.2	Confident	67.9	Low	33 Å²	33	75.3 Å²	75.3	15%	0.153	39%	0.387	C	S	.	.	H	α-helix	trans	-76.2	-20.7	178.6	-82.1	-84.4	0	0	0	113.8	Y14 L15 S21 Y280	Y14-H18 AromaticContact CD2-CD2 3.98Å; Y14-H18 AromaticContact CE1-CD2 3.6Å; Y14-H18 AromaticContact CE1-NE2 3.97Å; Y14-H18 AromaticContact CE2-CD2 3.55Å; Y14-H18 AromaticContact CE2-NE2 3.26Å; Y14-H18 VanDerWaalsContact CE2-NE2 3.26Å; Y14-H18 WeakPolarHBondContact CE2-NE2 3.29Å; Y14-H18 AromaticContact CZ-CD2 3.34Å; Y14-H18 AromaticContact CZ-NE2 3.2Å; Y14-H18 PolarHBondContact O-CD2 3.35Å; Y14-H18 PolarHBondContact O-N 2.83Å; Y14-H18 PolarHBondContact OH-NE2 3.41Å; L15-H18 PolarHBondContact O-N 3.26Å; H18-S21 WeakPolarHBondContact CA-OG 3.37Å; H18-S21 PolarHBondContact O-OG 3.35Å; H18-Y280 HydrophobicContact CB-CD1 3.91Å; H18-Y280 HydrophobicContact CB-CE1 3.57Å
19	S	71.6	Confident	65.2	Low	26 Å²	26	82.2 Å²	82.2	18%	0.182	42%	0.422	C	S	.	.	H	α-helix	trans	-71.3	-36.7	170.4	-72.7	0	0	0	0	112.2	L15 N16 A22 S23 S53	L15-S19 PolarHBondContact O-N 2.77Å; L15-S19 PolarHBondContact O-OG 3.14Å; N16-S19 PolarHBondContact O-N 3.44Å; S19-A22 PolarHBondContact O-N 3.15Å; S19-S23 PolarHBondContact O-OG 3.44Å; S19-S53 PolarHBondContact OG-OG 2.87Å
20	L	60.4	Low	62.7	Low	82 Å²	82	81.1 Å²	81.1	43%	0.429	43%	0.429	S	S	.	.	H	α-helix	trans	-67.4	-37.7	178.4	-72.8	161	0	0	0	112.5	N16 L17 A22 S23 E24	N16-L20 PolarHBondContact O-N 3.21Å; L17-L20 PolarHBondContact O-N 3.15Å; L20-A22 VanDerWaalsContact C-N 3.29Å; L20-A22 PolarHBondContact O-N 2.97Å; L20-S23 PolarHBondContact O-N 3.27Å; L20-S23 PolarHBondContact O-OG 3.36Å; L20-E24 PolarHBondContact O-N 3.09Å
21	S	55.4	Low	60.1	Low	57 Å²	57	89.7 Å²	89.7	40%	0.399	46%	0.464	S	S	.	.	H	α-helix	trans	-67.4	-26.9	178.8	54	0	0	0	0	113.5	L17 H18	L17-S21 PolarHBondContact O-N 2.98Å; H18-S21 WeakPolarHBondContact CA-OG 3.37Å; H18-S21 PolarHBondContact O-OG 3.35Å
22	A	50.2	Low	57.4	Low	39 Å²	39	94.6 Å²	94.6	32%	0.322	50%	0.498	S	S	.	.	H	α-helix	trans	-77.1	-30.5	176.9	0	0	0	0	0	112.6	S19 L20 K279	S19-A22 PolarHBondContact O-N 3.15Å; L20-A22 VanDerWaalsContact C-N 3.29Å; L20-A22 PolarHBondContact O-N 2.97Å; A22-K279 HydrophobicContact CB-CB 4.41Å; A22-K279 HydrophobicContact CB-CD 4.42Å
23	S	46.7	Very low	54.5	Low	76 Å²	76	101.6 Å²	101.6	53%	0.531	53%	0.531	S	S	.	.	H	α-helix	trans	-76.7	-29.8	177.2	43.4	0	0	0	0	113.8	S19 L20 Q25	S19-S23 PolarHBondContact O-OG 3.44Å; L20-S23 PolarHBondContact O-N 3.27Å; L20-S23 PolarHBondContact O-OG 3.36Å; S23-Q25 VanDerWaalsContact C-N 3.35Å
24	E	44.3	Very low	52.1	Low	126 Å²	126	102.8 Å²	102.8	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-76.7	-18.5	178.9	-74	-174.9	165.3	0	0	113.7	L20 F26 S27	L20-E24 PolarHBondContact O-N 3.09Å; E24-F26 PolarHBondContact O-N 2.99Å; E24-S27 PolarHBondContact O-N 3.43Å
25	Q	40.1	Very low	49.5	Very low	140 Å²	140	107 Å²	107	65%	0.654	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-10.7	178.1	-79.3	-173.2	-11.9	0	0	114.3	S23	S23-Q25 VanDerWaalsContact C-N 3.35Å
26	F	37.5	Very low	47	Very low	200 Å²	200	115.8 Å²	115.8	88%	0.877	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	0.5	175.5	-88.9	-82.4	0	0	0	114.7	E24	E24-F26 PolarHBondContact O-N 2.99Å
27	S	34	Very low	44.7	Very low	78 Å²	78	117.7 Å²	117.7	55%	0.545	61%	0.614	S	S	.	*	S	Bend	trans	-138.1	56.7	-178.1	67	0	0	0	0	112.7	E24	E24-S27 PolarHBondContact O-N 3.43Å
28	N	33.7	Very low	42.8	Very low	140 Å²	140	117.5 Å²	117.5	75%	0.749	61%	0.612	S	S	*	*			trans	-161.2	63.1	163.2	-96.3	-27.7	0	0	0	112.7	N30	N28-N30 VanDerWaalsContact C-N 3.32Å; N28-N30 PolarHBondContact O-N 2.87Å
29	N	30.1	Very low	40.9	Very low	164 Å²	164	121.6 Å²	121.6	88%	0.877	64%	0.639	S	S	*	*			trans	-88.9	76.6	151.5	-88.3	-20.3	0	0	0	107.9
30	N	34.8	Very low	39.1	Very low	151 Å²	151	123.5 Å²	123.5	81%	0.807	65%	0.652	S	S	*	*			trans	-166.6	106.4	152.3	-92.9	-22.9	0	0	0	109.3	N28 S32	N28-N30 VanDerWaalsContact C-N 3.32Å; N28-N30 PolarHBondContact O-N 2.87Å; N30-S32 PolarHBondContact O-N 3.26Å
31	K	31.1	Very low	38.1	Very low	212 Å²	212	123.3 Å²	123.3	92%	0.922	65%	0.652	S	S	*	*			trans	-76.9	112	168.3	-78.9	178.2	174	177.9	0	108.8
32	S	31.9	Very low	37.6	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	67%	0.667	S	S	*	*			trans	168.4	139.6	130.8	60.7	0	0	0	0	109.7	N30	N30-S32 PolarHBondContact O-N 3.26Å
33	E	31.2	Very low	36.8	Very low	182 Å²	182	133.3 Å²	133.3	85%	0.85	69%	0.686	S	S	*	*			trans	76	91.7	167.5	-54.7	-177.6	167	0	0	117.5
34	R	34.9	Very low	36.3	Very low	173 Å²	173	132.7 Å²	132.7	65%	0.653	68%	0.682	S	S	*	*			trans	177.2	73.4	130.1	-102.4	171.4	168.4	-180	-3.8	113.1	Q36 Q37	R34-Q36 VanDerWaalsContact C-N 3.28Å; R34-Q36 PolarHBondContact O-N 3.36Å; R34-Q37 HydrophobicContact CB-CB 4.29Å; R34-Q37 HydrophobicContact CG-CB 4.27Å
35	S	34.8	Very low	36.2	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	74.9	157.6	47.2	0	0	0	0	108.9
36	Q	35.9	Very low	36.1	Very low	185 Å²	185	132 Å²	132	86%	0.864	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179.7	-7.7	161.2	-102.4	169.2	19.7	0	0	113.4	R34	R34-Q36 VanDerWaalsContact C-N 3.28Å; R34-Q36 PolarHBondContact O-N 3.36Å
37	Q	37.2	Very low	36	Very low	71 Å²	71	129.8 Å²	129.8	33%	0.332	68%	0.681	S	S	.	*	S	Bend	trans	-90.6	-7.8	175.9	-146.2	92.7	22.5	0	0	114	R34 V39 S40 D41	R34-Q37 HydrophobicContact CB-CB 4.29Å; R34-Q37 HydrophobicContact CG-CB 4.27Å; Q37-V39 PolarHBondContact O-N 3.31Å; Q37-S40 PolarHBondContact O-OG 2.9Å; Q37-D41 PolarHBondContact O-N 3.1Å
38	I	43.9	Very low	36.2	Very low	114 Å²	114	130.2 Å²	130.2	59%	0.585	68%	0.683	S	S	*	*	H	α-helix	trans	-78.9	-17.3	-170	-63.9	172	0	0	0	113
39	V	38.7	Very low	36.5	Very low	120 Å²	120	133.3 Å²	133.3	73%	0.727	69%	0.69	S	S	*	*	H	α-helix	trans	-91.5	-28.7	-178.8	-177.6	0	0	0	0	112.2	Q37	Q37-V39 PolarHBondContact O-N 3.31Å
40	S	34.3	Very low	37.3	Very low	66 Å²	66	131.5 Å²	131.5	46%	0.462	68%	0.679	S	S	.	*	H	α-helix	trans	-81.6	-31.9	174.7	56.8	0	0	0	0	113	Q37 K42 L43 S44	Q37-S40 PolarHBondContact O-OG 2.9Å; S40-K42 VanDerWaalsContact C-N 3.34Å; S40-L43 PolarHBondContact O-N 2.92Å; S40-S44 PolarHBondContact O-N 3.38Å; S40-S44 PolarHBondContact O-OG 3.19Å
41	D	40.5	Very low	38	Very low	78 Å²	78	133.1 Å²	133.1	42%	0.417	68%	0.682	S	S	.	*	H	α-helix	trans	-76.8	-20.9	-179.6	-69.7	-16.2	0	0	0	113	Q37 S44 L45	Q37-D41 PolarHBondContact O-N 3.1Å; D41-S44 WeakPolarHBondContact CA-OG 3.42Å; D41-S44 PolarHBondContact O-OG 3.16Å; D41-L45 WeakPolarHBondContact O-CB 3.35Å; D41-L45 PolarHBondContact O-N 3.16Å; D41-L45 VanDerWaalsContact O-N 3.11Å
42	K	43.3	Very low	39.2	Very low	167 Å²	167	127.3 Å²	127.3	73%	0.726	67%	0.673	S	S	*	*	H	α-helix	trans	-72.1	-25.1	173.2	-106.6	179.8	176.8	178.3	0	114.2	S40	S40-K42 VanDerWaalsContact C-N 3.34Å
43	L	34.2	Very low	41	Very low	138 Å²	138	122.9 Å²	122.9	72%	0.723	64%	0.643	S	S	*	*	H	α-helix	trans	-92.1	-25.3	174.1	-102.7	103.9	0	0	0	112.8	S40	S40-L43 PolarHBondContact O-N 2.92Å
44	S	35.9	Very low	43.5	Very low	63 Å²	63	119.6 Å²	119.6	44%	0.441	63%	0.627	S	S	.	*	H	α-helix	trans	-81.2	-24.4	176.4	68.1	0	0	0	0	113.3	S40 D41 M46	S40-S44 PolarHBondContact O-N 3.38Å; S40-S44 PolarHBondContact O-OG 3.19Å; D41-S44 WeakPolarHBondContact CA-OG 3.42Å; D41-S44 PolarHBondContact O-OG 3.16Å; S44-M46 VanDerWaalsContact C-N 3.25Å; S44-M46 PolarHBondContact O-N 3.12Å
45	L	41.5	Very low	46.2	Very low	96 Å²	96	111.4 Å²	111.4	50%	0.503	60%	0.596	S	S	.	*	G	3₁₀ helix	trans	-69.7	-16	172	-119.2	84.6	0	0	0	114.3	D41 N47	D41-L45 WeakPolarHBondContact O-CB 3.35Å; D41-L45 PolarHBondContact O-N 3.16Å; D41-L45 VanDerWaalsContact O-N 3.11Å; L45-N47 PolarHBondContact O-N 3.07Å
46	M	39.6	Very low	48.8	Very low	156 Å²	156	109.4 Å²	109.4	77%	0.768	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-70.8	-11.3	178.5	-110	-173	176.9	0	0	113.6	S44	S44-M46 VanDerWaalsContact C-N 3.25Å; S44-M46 PolarHBondContact O-N 3.12Å
47	N	34.7	Very low	51.5	Low	153 Å²	153	101.1 Å²	101.1	82%	0.818	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-118.3	6.4	-178	-79	-24.4	0	0	0	114.5	L45	L45-N47 PolarHBondContact O-N 3.07Å
48	C	38.4	Very low	53.9	Low	87 Å²	87	99.7 Å²	99.7	59%	0.588	53%	0.534	S	S	*	.	S	Bend	trans	-79.9	135.2	169.2	-77.2	0	0	0	0	109.5	L50	C48-L50 PolarHBondContact O-N 3.44Å
49	K	40.5	Very low	56.1	Low	206 Å²	206	94.9 Å²	94.9	90%	0.896	51%	0.509	S	S	*	.			trans	-45.8	107.2	174.2	-75.6	176.1	176.4	176.3	0	108.6	E51	K49-E51 PolarHBondContact O-N 3.46Å
50	L	46	Very low	58.7	Low	125 Å²	125	89.1 Å²	89.1	65%	0.654	48%	0.475	S	S	*	.			trans	-52.3	102.9	173.2	-85.2	139.1	0	0	0	107.3	N16 C48 A52	N16-L50 HydrophobicContact CB-CD2 4.14Å; C48-L50 PolarHBondContact O-N 3.44Å; L50-A52 PolarHBondContact O-N 2.84Å
51	E	49.9	Very low	61.4	Low	185 Å²	185	86.3 Å²	86.3	86%	0.864	45%	0.454	S	S	*	.			trans	-55.7	115.5	160.3	-73.3	-169.6	162.8	0	0	105.2	K49 S53	K49-E51 PolarHBondContact O-N 3.46Å; E51-S53 PolarHBondContact O-N 3.14Å; E51-S53 VanDerWaalsContact O-N 3.08Å
52	A	56.9	Low	63.7	Low	90 Å²	90	84.4 Å²	84.4	74%	0.744	45%	0.446	S	S	*	.			trans	-57.4	121.5	-172.5	0	0	0	0	0	107.6	L50 E54	L50-A52 PolarHBondContact O-N 2.84Å; A52-E54 PolarHBondContact O-N 3.28Å
53	S	68.8	Low	65.9	Low	12 Å²	12	76.5 Å²	76.5	8%	0.084	41%	0.412	C	S	.	.			trans	-50.2	132.2	174.4	178.7	0	0	0	0	108.7	N16 S19 E51 D55	N16-S53 WeakPolarHBondContact OD1-CB 3.27Å; S19-S53 PolarHBondContact OG-OG 2.87Å; E51-S53 PolarHBondContact O-N 3.14Å; E51-S53 VanDerWaalsContact O-N 3.08Å; S53-D55 PolarHBondContact O-N 3.4Å; S53-D55 VanDerWaalsContact O-N 3.08Å; S53-D55 PolarHBondContact OG-N 3.49Å; S53-D55 PolarHBondContact OG-O 3.37Å
54	E	84.4	Confident	68.3	Low	113 Å²	113	73.5 Å²	73.5	53%	0.528	39%	0.391	S	S	.	.	S	Bend	trans	-58.7	-18.4	172.9	-66.9	-173.5	153.3	0	0	111.7	A52 Q82 P83	A52-E54 PolarHBondContact O-N 3.28Å; E54-Q82 WeakPolarHBondContact O-CB 3.44Å; E54-Q82 WeakPolarHBondContact O-CG 3.31Å; E54-Q82 PolarHBondContact O-N 3.3Å; E54-P83 HydrophobicContact CB-CG 4.04Å; E54-P83 VanDerWaalsContact CD-CG 3.42Å; E54-P83 HydrophobicContact CG-CG 4Å; E54-P83 WeakPolarHBondContact OE2-CG 3.23Å
55	D	90.3	Very high	70.4	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.8	177.5	-53.9	-46.4	0	0	0	111	Q12 L15 S53 I79 K80 N81 W276 K279 Y280	Q12-D55 PolarHBondContact NE2-O 3.21Å; L15-D55 HydrophobicContact CD1-CB 4.24Å; L15-D55 WeakPolarHBondContact CD1-O 3.35Å; S53-D55 PolarHBondContact O-N 3.4Å; S53-D55 VanDerWaalsContact O-N 3.08Å; S53-D55 PolarHBondContact OG-N 3.49Å; S53-D55 PolarHBondContact OG-O 3.37Å; D55-I79 HydrophobicContact CB-CG2 4.04Å; D55-K80 WeakPolarHBondContact CA-O 3.46Å; D55-N81 WeakPolarHBondContact OD1-CA 3.23Å; D55-N81 VanDerWaalsContact OD1-CB 3.31Å; D55-N81 WeakPolarHBondContact OD1-CB 3.31Å; D55-N81 PolarHBondContact OD1-ND2 2.97Å; D55-W276 HydrophobicContact CB-CZ3 4.38Å; D55-W276 VanDerWaalsContact OD1-CE3 3.27Å; D55-W276 WeakPolarHBondContact OD1-CZ3 3.25Å; D55-K279 WeakPolarHBondContact OD2-CE 3.32Å; D55-K279 IonicContact OD2-NZ 3.98Å; D55-K279 PolarHBondContact OD2-NZ 3.27Å; D55-Y280 PolarHBondContact OD2-OH 2.85Å
56	L	90.7	Very high	71.8	Confident	72 Å²	72	71.2 Å²	71.2	38%	0.377	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.6	-177.1	-167.6	76.4	0	0	0	110.6	N58 I79 K80	L56-N58 PolarHBondContact O-N 3.32Å; L56-I79 WeakPolarHBondContact O-CA 3.36Å; L56-K80 PolarHBondContact N-O 3.19Å; L56-K80 PolarHBondContact O-N 3.43Å
57	C	91.6	Very high	73.3	Confident	12 Å²	12	68.5 Å²	68.5	8%	0.081	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	112.3	166.5	172	0	0	0	0	109.3	V11 Q12 L15 S77	V11-C57 HydrophobicContact CB-CB 4.22Å; V11-C57 HydrophobicContact CG1-CB 3.9Å; Q12-C57 HydrophobicContact CB-CB 4.34Å; L15-C57 HydrophobicContact CD1-CB 4.02Å; C57-S77 PolarHBondContact SG-OG 3.29Å
58	N	87.8	Confident	75.1	Confident	41 Å²	41	63.5 Å²	63.5	22%	0.219	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-49.5	178.3	-68.7	-75.3	0	0	0	111.7	L56 V78 I230 Y234	L56-N58 PolarHBondContact O-N 3.32Å; N58-V78 WeakPolarHBondContact CB-O 3.43Å; N58-V78 PolarHBondContact N-O 3.1Å; N58-V78 PolarHBondContact ND2-O 3.37Å; N58-I230 HydrophobicContact CB-CG2 4.5Å; N58-Y234 HydrophobicContact CB-CE2 3.98Å; N58-Y234 VanDerWaalsContact CG-CE2 3.46Å; N58-Y234 VanDerWaalsContact CG-OH 3.29Å; N58-Y234 PolarHBondContact OD1-OH 3.15Å
59	V	90.8	Very high	75.9	Confident	12 Å²	12	61.1 Å²	61.1	7%	0.073	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	152.4	178.4	-77.7	0	0	0	0	110.3	F61 S77 V78 F227 I230	V59-F61 HydrophobicContact CB-CD2 4.25Å; V59-F61 HydrophobicContact CB-CE2 3.75Å; V59-F61 HydrophobicContact CG1-CE2 4.11Å; V59-F61 HydrophobicContact CG2-CE2 4.18Å; V59-S77 WeakPolarHBondContact O-CA 3.48Å; V59-S77 VanDerWaalsContact O-CB 3.31Å; V59-S77 WeakPolarHBondContact O-CB 3.49Å; V59-S77 PolarHBondContact O-OG 3.33Å; V59-V78 HydrophobicContact CG2-CB 4.28Å; V59-V78 HydrophobicContact CG2-CG2 4.23Å; V59-V78 PolarHBondContact O-N 2.95Å; V59-V78 VanDerWaalsContact O-N 3.16Å; V59-F227 HydrophobicContact CG2-CD2 3.73Å; V59-F227 HydrophobicContact CG2-CE2 4.05Å; V59-I230 HydrophobicContact CB-CD1 4.13Å; V59-I230 HydrophobicContact CG1-CD1 3.25Å; V59-I230 HydrophobicContact CG2-CB 4.33Å; V59-I230 HydrophobicContact CG2-CD1 3.81Å; V59-I230 HydrophobicContact CG2-CG2 3.88Å
60	A	91.8	Very high	76.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.7	171.5	0	0	0	0	0	109.3	L7 S8 V11 I75 A76	L7-A60 HydrophobicContact CB-CB 3.93Å; S8-A60 PolarHBondContact OG-N 2.9Å; S8-A60 VanDerWaalsContact OG-N 3.14Å; V11-A60 HydrophobicContact CG2-CB 3.84Å; A60-I75 HydrophobicContact CB-CG2 3.88Å; A60-A76 WeakPolarHBondContact CA-O 3.34Å
61	F	91.1	Very high	77.1	Confident	7 Å²	7	60.9 Å²	60.9	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.4	178.4	-70.5	-87.2	0	0	0	110.9	V59 V63 I75 A76 F218 D223 E226 F227	V59-F61 HydrophobicContact CB-CD2 4.25Å; V59-F61 HydrophobicContact CB-CE2 3.75Å; V59-F61 HydrophobicContact CG1-CE2 4.11Å; V59-F61 HydrophobicContact CG2-CE2 4.18Å; F61-V63 HydrophobicContact CB-CG1 4.48Å; F61-I75 WeakPolarHBondContact O-CA 3.16Å; F61-A76 PolarHBondContact N-O 3.02Å; F61-A76 PolarHBondContact O-N 3.34Å; F61-F218 HydrophobicContact CB-CD1 3.99Å; F61-F218 HydrophobicContact CB-CE1 3.61Å; F61-F218 HydrophobicContact CD2-CE1 4.29Å; F61-F218 HydrophobicContact CG-CD1 4.35Å; F61-F218 AromaticContact CG-CE1 3.96Å; F61-F218 HydrophobicContact CG-CE1 3.96Å; F61-D223 HydrophobicContact CD1-CB 3.53Å; F61-D223 HydrophobicContact CE1-CB 3.59Å; F61-D223 HydrophobicContact CG-CB 4.46Å; F61-E226 HydrophobicContact CZ-CB 4.12Å; F61-E226 HydrophobicContact CZ-CG 3.98Å; F61-F227 HydrophobicContact CD2-CB 3.88Å; F61-F227 AromaticContact CD2-CD2 3.41Å; F61-F227 HydrophobicContact CD2-CD2 3.41Å; F61-F227 VanDerWaalsContact CD2-CD2 3.41Å; F61-F227 HydrophobicContact CD2-CE2 4.24Å; F61-F227 HydrophobicContact CD2-CG 4.02Å; F61-F227 HydrophobicContact CE2-CB 3.89Å; F61-F227 AromaticContact CE2-CD2 3.85Å; F61-F227 HydrophobicContact CE2-CD2 3.85Å; F61-F227 HydrophobicContact CE2-CG 4.37Å; F61-F227 HydrophobicContact CG-CD2 4.5Å
62	P	89.4	Confident	77.6	Confident	38 Å²	38	54.2 Å²	54.2	25%	0.247	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.3	168.2	34	-30.5	0	0	0	107.9	L7 V74 F219	L7-P62 HydrophobicContact CD1-CB 4.24Å; L7-P62 HydrophobicContact CD1-CG 4.08Å; P62-V74 WeakPolarHBondContact CA-O 3.47Å; P62-F219 HydrophobicContact CB-CD2 4.01Å; P62-F219 HydrophobicContact CB-CE2 3.65Å; P62-F219 HydrophobicContact CG-CD2 3.83Å; P62-F219 HydrophobicContact CG-CE2 4Å; P62-F219 WeakPolarHBondContact O-CD2 3.42Å
63	V	89.3	Confident	78.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	163.1	-179.1	-63.2	0	0	0	0	109.9	F61 V65 V74 A76 L216 E217 F218	F61-V63 HydrophobicContact CB-CG1 4.48Å; V63-V65 HydrophobicContact CG2-CG2 3.91Å; V63-V74 HydrophobicContact CG2-CB 4.25Å; V63-V74 HydrophobicContact CG2-CG1 3.95Å; V63-V74 PolarHBondContact N-O 3.36Å; V63-V74 WeakPolarHBondContact O-CB 3.19Å; V63-A76 HydrophobicContact CG1-CB 4.08Å; V63-A76 HydrophobicContact CG2-CB 3.78Å; V63-L216 HydrophobicContact CG1-CB 4.45Å; V63-E217 CarbonylContact C-O 3.49Å; V63-E217 VanDerWaalsContact CA-O 3.25Å; V63-E217 WeakPolarHBondContact CA-O 3.42Å; V63-F218 HydrophobicContact CG1-CD1 3.86Å; V63-F218 HydrophobicContact CG1-CD2 4.18Å; V63-F218 HydrophobicContact CG1-CE1 3.64Å; V63-F218 HydrophobicContact CG1-CE2 3.93Å; V63-F218 HydrophobicContact CG1-CG 4.1Å; V63-F218 HydrophobicContact CG1-CZ 3.63Å
64	Y	84.1	Confident	79.5	Confident	74 Å²	74	51.7 Å²	51.7	29%	0.29	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.8	159.8	-62.6	-72.5	0	0	0	108.8	R70 E217 F219	Y64-R70 WeakPolarHBondContact CE1-O 3.44Å; Y64-E217 HydrophobicContact CD2-CG 4.26Å; Y64-E217 PolarHBondContact N-O 2.93Å; Y64-E217 PolarHBondContact O-N 2.87Å; Y64-F219 HydrophobicContact CD2-CE1 4.48Å; Y64-F219 HydrophobicContact CD2-CE2 4.43Å; Y64-F219 HydrophobicContact CD2-CZ 4.18Å; Y64-F219 HydrophobicContact CE1-CZ 4.19Å; Y64-F219 HydrophobicContact CE2-CD1 4.03Å; Y64-F219 AromaticContact CE2-CE1 3.39Å; Y64-F219 HydrophobicContact CE2-CE1 3.39Å; Y64-F219 HydrophobicContact CE2-CE2 4.01Å; Y64-F219 AromaticContact CE2-CZ 3.37Å; Y64-F219 HydrophobicContact CE2-CZ 3.37Å; Y64-F219 AromaticContact CZ-CE1 3.51Å; Y64-F219 AromaticContact CZ-CZ 3.39Å; Y64-F219 WeakPolarHBondContact OH-CE1 3.42Å; Y64-F219 WeakPolarHBondContact OH-CZ 3.29Å
65	V	81.8	Confident	79.8	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.9	174.1	-178.8	0	0	0	0	107.1	V63 E67 Y68 V74 L214 L216	V63-V65 HydrophobicContact CG2-CG2 3.91Å; V65-E67 HydrophobicContact CG1-CB 4.39Å; V65-E67 PolarHBondContact O-N 3.37Å; V65-Y68 HydrophobicContact CB-CD2 3.7Å; V65-Y68 HydrophobicContact CB-CE2 4.18Å; V65-Y68 HydrophobicContact CG1-CD2 3.76Å; V65-Y68 HydrophobicContact CG1-CE2 3.81Å; V65-Y68 HydrophobicContact CG2-CD2 4.36Å; V65-Y68 PolarHBondContact O-N 2.92Å; V65-V74 HydrophobicContact CG2-CG1 3.87Å; V65-L214 HydrophobicContact CG1-CD2 4.02Å; V65-L216 HydrophobicContact CG2-CD2 3.58Å
66	N	70.4	Confident	79.9	Confident	109 Å²	109	46.4 Å²	46.4	58%	0.583	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-55	-30.7	-173.7	-78.6	-24.4	0	0	0	113.4	Y68	N66-Y68 VanDerWaalsContact C-N 3.31Å; N66-Y68 PolarHBondContact O-N 3.21Å
67	E	71.4	Confident	80.1	Confident	99 Å²	99	43 Å²	43	46%	0.463	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-68.9	-23.6	178.9	-60	-166	171.6	0	0	113.9	V65 R133 L214	V65-E67 HydrophobicContact CG1-CB 4.39Å; V65-E67 PolarHBondContact O-N 3.37Å; E67-R133 IonicContact OE1-NH2 2.6Å; E67-R133 IonicContact OE2-CZ 2.96Å; E67-R133 IonicContact OE2-NH2 3.14Å; E67-R133 PolarHBondContact OE2-NH2 2.74Å; E67-L214 VanDerWaalsContact CD-CD2 3.42Å; E67-L214 HydrophobicContact CG-CD2 4Å; E67-L214 WeakPolarHBondContact OE2-CD2 3.48Å
68	Y	71.2	Confident	80.2	Confident	49 Å²	49	42.4 Å²	42.4	19%	0.192	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-107.6	2.5	-175.6	-53.1	-57.2	0	0	0	114.1	V65 N66 S72 V74 I91 R108 D109	V65-Y68 HydrophobicContact CB-CD2 3.7Å; V65-Y68 HydrophobicContact CB-CE2 4.18Å; V65-Y68 HydrophobicContact CG1-CD2 3.76Å; V65-Y68 HydrophobicContact CG1-CE2 3.81Å; V65-Y68 HydrophobicContact CG2-CD2 4.36Å; V65-Y68 PolarHBondContact O-N 2.92Å; N66-Y68 VanDerWaalsContact C-N 3.31Å; N66-Y68 PolarHBondContact O-N 3.21Å; Y68-S72 WeakPolarHBondContact O-CB 3.44Å; Y68-S72 PolarHBondContact O-OG 2.77Å; Y68-V74 HydrophobicContact CD2-CG1 4.31Å; Y68-V74 HydrophobicContact CD2-CG2 4.35Å; Y68-I91 HydrophobicContact CD2-CG2 4.18Å; Y68-I91 HydrophobicContact CE2-CG2 3.65Å; Y68-R108 HydrophobicContact CE1-CB 4.03Å; Y68-R108 HydrophobicContact CE1-CG 4.4Å; Y68-D109 WeakPolarHBondContact OH-CB 3.4Å; Y68-D109 PolarHBondContact OH-OD2 3.47Å
69	G	56.6	Low	80.4	Confident	36 Å²	36	40.4 Å²	40.4	37%	0.371	21%	0.206	S	C	.	.			trans	75	158.2	178.3	0	0	0	0	0	114.7	H71	G69-H71 VanDerWaalsContact C-N 3.31Å; G69-H71 PolarHBondContact O-N 3.37Å
70	R	56.2	Low	80.4	Confident	135 Å²	135	41.1 Å²	41.1	51%	0.509	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.8	-174.7	-75.6	-172.5	178.2	-162.2	-2.2	115.5	Y64 P403	Y64-R70 WeakPolarHBondContact CE1-O 3.44Å; R70-P403 VanDerWaalsContact CZ-CB 3.44Å
71	H	53.8	Low	80.4	Confident	192 Å²	192	41.4 Å²	41.4	89%	0.889	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-5.7	-177.1	-61.1	-66	0	0	0	113.7	G69	G69-H71 VanDerWaalsContact C-N 3.31Å; G69-H71 PolarHBondContact O-N 3.37Å
72	S	60.5	Low	80.2	Confident	44 Å²	44	44.4 Å²	44.4	31%	0.308	22%	0.223	S	C	.	.	S	Bend	trans	-86.9	128	178.1	-58.8	0	0	0	0	109.6	Y68 V74	Y68-S72 WeakPolarHBondContact O-CB 3.44Å; Y68-S72 PolarHBondContact O-OG 2.77Å; S72-V74 PolarHBondContact O-N 3.49Å
73	S	77.3	Confident	79.9	Confident	47 Å²	47	46.3 Å²	46.3	33%	0.329	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	95.7	167.2	178	0	0	0	0	107.7	T93 R94	S73-T93 WeakPolarHBondContact O-CA 3.28Å; S73-R94 PolarHBondContact O-N 3.02Å
74	V	88.8	Confident	79.6	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.4	-179.8	-172.1	0	0	0	0	109.5	P62 V63 V65 Y68 S72 I91 F92 T93	P62-V74 WeakPolarHBondContact CA-O 3.47Å; V63-V74 HydrophobicContact CG2-CB 4.25Å; V63-V74 HydrophobicContact CG2-CG1 3.95Å; V63-V74 PolarHBondContact N-O 3.36Å; V63-V74 WeakPolarHBondContact O-CB 3.19Å; V65-V74 HydrophobicContact CG2-CG1 3.87Å; Y68-V74 HydrophobicContact CD2-CG1 4.31Å; Y68-V74 HydrophobicContact CD2-CG2 4.35Å; S72-V74 PolarHBondContact O-N 3.49Å; V74-I91 HydrophobicContact CG1-CG2 3.54Å; V74-F92 CarbonylContact C-O 3.48Å; V74-F92 VanDerWaalsContact CA-O 3.27Å; V74-F92 WeakPolarHBondContact CA-O 3.44Å; V74-F92 WeakPolarHBondContact CG1-O 3.4Å; V74-T93 HydrophobicContact CG2-CG2 4.25Å
75	I	90.8	Very high	79.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.7	176.8	-62.1	158.1	0	0	0	107.9	L7 V11 A60 F61 F92 L105	L7-I75 HydrophobicContact CD2-CD1 3.67Å; L7-I75 HydrophobicContact CD2-CG1 4.11Å; V11-I75 HydrophobicContact CG2-CG2 4.28Å; A60-I75 HydrophobicContact CB-CG2 3.88Å; F61-I75 WeakPolarHBondContact O-CA 3.16Å; I75-F92 HydrophobicContact CB-CB 4.33Å; I75-F92 PolarHBondContact N-O 3.27Å; I75-F92 PolarHBondContact O-N 2.71Å; I75-L105 HydrophobicContact CD1-CD2 3.6Å
76	A	92.9	Very high	79.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.1	170.1	0	0	0	0	0	109.4	A60 F61 V63 I91 L216 F227	A60-A76 WeakPolarHBondContact CA-O 3.34Å; F61-A76 PolarHBondContact N-O 3.02Å; F61-A76 PolarHBondContact O-N 3.34Å; V63-A76 HydrophobicContact CG1-CB 4.08Å; V63-A76 HydrophobicContact CG2-CB 3.78Å; A76-I91 HydrophobicContact CB-CD1 3.77Å; A76-L216 HydrophobicContact CB-CD1 4.1Å; A76-F227 HydrophobicContact CB-CE1 4.33Å; A76-F227 HydrophobicContact CB-CE2 4.37Å; A76-F227 HydrophobicContact CB-CZ 3.75Å
77	S	94.3	Very high	80.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.2	-178.4	-176.8	0	0	0	0	112.6	C57 V59 I89 F90	C57-S77 PolarHBondContact SG-OG 3.29Å; V59-S77 WeakPolarHBondContact O-CA 3.48Å; V59-S77 VanDerWaalsContact O-CB 3.31Å; V59-S77 WeakPolarHBondContact O-CB 3.49Å; V59-S77 PolarHBondContact O-OG 3.33Å; S77-I89 CarbonylContact O-C 3.56Å; S77-I89 WeakPolarHBondContact O-CA 3.31Å; S77-F90 PolarHBondContact N-O 3.12Å; S77-F90 PolarHBondContact O-N 3.43Å
78	V	93.6	Very high	81.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.8	173.6	-178.5	0	0	0	0	109.2	N58 V59 I89 L113 F227 I230 I231 Y234	N58-V78 WeakPolarHBondContact CB-O 3.43Å; N58-V78 PolarHBondContact N-O 3.1Å; N58-V78 PolarHBondContact ND2-O 3.37Å; V59-V78 HydrophobicContact CG2-CB 4.28Å; V59-V78 HydrophobicContact CG2-CG2 4.23Å; V59-V78 PolarHBondContact O-N 2.95Å; V59-V78 VanDerWaalsContact O-N 3.16Å; V78-I89 HydrophobicContact CG2-CG1 4.46Å; V78-L113 HydrophobicContact CG1-CD1 4.02Å; V78-F227 HydrophobicContact CG2-CD2 4.43Å; V78-F227 HydrophobicContact CG2-CE2 3.79Å; V78-F227 HydrophobicContact CG2-CZ 3.96Å; V78-I230 HydrophobicContact CG2-CG2 4.49Å; V78-I231 HydrophobicContact CG2-CD1 4.5Å; V78-I231 HydrophobicContact CG2-CG1 3.69Å; V78-Y234 HydrophobicContact CG1-CD2 3.92Å; V78-Y234 HydrophobicContact CG1-CG 4.37Å
79	I	92.7	Very high	83	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.4	-176.1	-50.8	-166.4	0	0	0	109	V11 L15 D55 L56 S87 A88 F90 F92 W276	V11-I79 HydrophobicContact CG1-CD1 4.06Å; L15-I79 HydrophobicContact CD1-CD1 3.93Å; L15-I79 HydrophobicContact CD1-CG1 4.46Å; L15-I79 HydrophobicContact CD1-CG2 3.76Å; L15-I79 HydrophobicContact CD2-CD1 3.57Å; L15-I79 HydrophobicContact CD2-CG2 4.19Å; L15-I79 HydrophobicContact CG-CD1 4.16Å; D55-I79 HydrophobicContact CB-CG2 4.04Å; L56-I79 WeakPolarHBondContact O-CA 3.36Å; I79-S87 CarbonylContact O-C 3.55Å; I79-S87 WeakPolarHBondContact O-CA 3.35Å; I79-S87 WeakPolarHBondContact O-CB 3.24Å; I79-A88 PolarHBondContact N-O 2.94Å; I79-A88 PolarHBondContact O-N 3.21Å; I79-F90 HydrophobicContact CB-CD2 3.77Å; I79-F90 HydrophobicContact CB-CE2 3.7Å; I79-F90 HydrophobicContact CB-CZ 4.39Å; I79-F90 HydrophobicContact CD1-CB 3.71Å; I79-F90 HydrophobicContact CD1-CD1 3.38Å; I79-F90 HydrophobicContact CD1-CD2 3.35Å; I79-F90 HydrophobicContact CD1-CE1 3.72Å; I79-F90 HydrophobicContact CD1-CE2 3.7Å; I79-F90 HydrophobicContact CD1-CG 3.19Å; I79-F90 HydrophobicContact CD1-CZ 3.88Å; I79-F90 HydrophobicContact CG1-CB 4.23Å; I79-F90 HydrophobicContact CG1-CD1 4.45Å; I79-F90 HydrophobicContact CG1-CD2 3.54Å; I79-F90 HydrophobicContact CG1-CE2 3.94Å; I79-F90 HydrophobicContact CG1-CG 3.84Å; I79-F90 HydrophobicContact CG2-CE2 4.2Å; I79-F90 HydrophobicContact CG2-CZ 4.46Å; I79-F92 HydrophobicContact CD1-CE2 4.47Å; I79-F92 HydrophobicContact CD1-CZ 4.34Å; I79-W276 HydrophobicContact CG2-CH2 4.22Å; I79-W276 HydrophobicContact CG2-CZ3 4.39Å
80	K	91.3	Very high	84.8	Confident	26 Å²	26	37.5 Å²	37.5	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.1	177.4	-177.4	-170.5	-166.3	174.5	0	110.2	D55 L56 Q86 Y234	D55-K80 WeakPolarHBondContact CA-O 3.46Å; L56-K80 PolarHBondContact N-O 3.19Å; L56-K80 PolarHBondContact O-N 3.43Å; K80-Q86 WeakPolarHBondContact CA-O 3.43Å; K80-Q86 WeakPolarHBondContact CG-O 3.1Å; K80-Y234 HydrophobicContact CB-CE1 4.47Å; K80-Y234 HydrophobicContact CD-CD1 4.34Å; K80-Y234 HydrophobicContact CD-CE1 3.65Å; K80-Y234 HydrophobicContact CG-CE1 4.39Å
81	N	90.2	Very high	86.5	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.032	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.4	166.9	178.7	-97.3	0	0	0	109.6	D55 P83 S84 K85 Q86 W276	D55-N81 WeakPolarHBondContact OD1-CA 3.23Å; D55-N81 VanDerWaalsContact OD1-CB 3.31Å; D55-N81 WeakPolarHBondContact OD1-CB 3.31Å; D55-N81 PolarHBondContact OD1-ND2 2.97Å; N81-P83 WeakPolarHBondContact OD1-CD 3.38Å; N81-S84 WeakPolarHBondContact CB-OG 3.44Å; N81-S84 VanDerWaalsContact OD1-CB 3.31Å; N81-S84 WeakPolarHBondContact OD1-CB 3.47Å; N81-S84 PolarHBondContact OD1-N 3.5Å; N81-S84 PolarHBondContact OD1-OG 3.39Å; N81-K85 VanDerWaalsContact O-CA 3.23Å; N81-K85 WeakPolarHBondContact O-CA 3.17Å; N81-K85 PolarHBondContact O-N 3.19Å; N81-Q86 PolarHBondContact N-O 3.4Å; N81-W276 HydrophobicContact CB-CD2 3.58Å; N81-W276 HydrophobicContact CB-CE3 3.9Å; N81-W276 HydrophobicContact CB-CG 3.97Å; N81-W276 HydrophobicContact CB-CH2 4.22Å; N81-W276 HydrophobicContact CB-CZ2 3.94Å; N81-W276 HydrophobicContact CB-CZ3 4.2Å
82	Q	86.7	Confident	88.2	Confident	70 Å²	70	22 Å²	22	33%	0.327	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-40.8	-174.7	-70.1	-65.6	-14.2	0	0	114	E54 K85	E54-Q82 WeakPolarHBondContact O-CB 3.44Å; E54-Q82 WeakPolarHBondContact O-CG 3.31Å; E54-Q82 PolarHBondContact O-N 3.3Å; Q82-K85 WeakPolarHBondContact O-CD 3.48Å; Q82-K85 WeakPolarHBondContact O-CE 3.36Å; Q82-K85 PolarHBondContact O-NZ 3.44Å
83	P	83.9	Confident	89.4	Confident	78 Å²	78	20.4 Å²	20.4	51%	0.506	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-53.7	176.4	-23.8	32.1	0	0	0	113.5	E54 N81 K85	E54-P83 HydrophobicContact CB-CG 4.04Å; E54-P83 VanDerWaalsContact CD-CG 3.42Å; E54-P83 HydrophobicContact CG-CG 4Å; E54-P83 WeakPolarHBondContact OE2-CG 3.23Å; N81-P83 WeakPolarHBondContact OD1-CD 3.38Å; P83-K85 VanDerWaalsContact C-N 3.31Å; P83-K85 PolarHBondContact O-N 3.3Å
84	S	83.9	Confident	89.4	Confident	45 Å²	45	23.2 Å²	23.2	32%	0.315	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.7	-176.9	65	0	0	0	0	113.7	N81 Q86	N81-S84 WeakPolarHBondContact CB-OG 3.44Å; N81-S84 VanDerWaalsContact OD1-CB 3.31Å; N81-S84 WeakPolarHBondContact OD1-CB 3.47Å; N81-S84 PolarHBondContact OD1-N 3.5Å; N81-S84 PolarHBondContact OD1-OG 3.39Å; S84-Q86 PolarHBondContact O-N 3.16Å; S84-Q86 PolarHBondContact OG-N 2.95Å
85	K	84.6	Confident	88.2	Confident	113 Å²	113	25.2 Å²	25.2	49%	0.491	13%	0.129	S	C	.	.			trans	60.4	4.8	-170.5	-58	-61.6	-178.5	-145.9	0	115.1	N81 Q82 P83	N81-K85 VanDerWaalsContact O-CA 3.23Å; N81-K85 WeakPolarHBondContact O-CA 3.17Å; N81-K85 PolarHBondContact O-N 3.19Å; Q82-K85 WeakPolarHBondContact O-CD 3.48Å; Q82-K85 WeakPolarHBondContact O-CE 3.36Å; Q82-K85 PolarHBondContact O-NZ 3.44Å; P83-K85 VanDerWaalsContact C-N 3.31Å; P83-K85 PolarHBondContact O-N 3.3Å
86	Q	86.7	Confident	86.5	Confident	27 Å²	27	33.2 Å²	33.2	13%	0.126	17%	0.166	C	C	.	.			trans	-75.8	158.1	177.5	-67.2	166.7	7.7	0	0	111.8	K80 N81 S84 Q273 F274 W276	K80-Q86 WeakPolarHBondContact CA-O 3.43Å; K80-Q86 WeakPolarHBondContact CG-O 3.1Å; N81-Q86 PolarHBondContact N-O 3.4Å; S84-Q86 PolarHBondContact O-N 3.16Å; S84-Q86 PolarHBondContact OG-N 2.95Å; Q86-Q273 PolarHBondContact NE2-O 3.07Å; Q86-Q273 PolarHBondContact OE1-O 2.97Å; Q86-F274 HydrophobicContact CB-CD1 4.22Å; Q86-F274 HydrophobicContact CB-CE1 3.75Å; Q86-F274 HydrophobicContact CB-CZ 4.28Å; Q86-F274 HydrophobicContact CG-CE1 4.12Å; Q86-F274 HydrophobicContact CG-CZ 4.21Å; Q86-F274 VanDerWaalsContact OE1-CD1 3.26Å; Q86-W276 VanDerWaalsContact OE1-NE1 3.13Å
87	S	91.6	Very high	84.5	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.8	179.2	-55.3	0	0	0	0	111.2	I79 L113 Y234	I79-S87 CarbonylContact O-C 3.55Å; I79-S87 WeakPolarHBondContact O-CA 3.35Å; I79-S87 WeakPolarHBondContact O-CB 3.24Å; S87-L113 VanDerWaalsContact O-CB 3.28Å; S87-L113 WeakPolarHBondContact O-CB 3.47Å; S87-L113 PolarHBondContact O-N 2.64Å; S87-Y234 WeakPolarHBondContact OG-CD1 3.38Å
88	A	92.7	Very high	82	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	153.4	175.4	0	0	0	0	0	110.3	I79 F90 I111 W276 L277	I79-A88 PolarHBondContact N-O 2.94Å; I79-A88 PolarHBondContact O-N 3.21Å; A88-F90 HydrophobicContact CB-CD2 4.32Å; A88-F90 HydrophobicContact CB-CE2 4.01Å; A88-I111 CarbonylContact C-O 3.55Å; A88-I111 VanDerWaalsContact CA-O 3.28Å; A88-I111 WeakPolarHBondContact CA-O 3.29Å; A88-I111 WeakPolarHBondContact CB-O 3.33Å; A88-W276 HydrophobicContact CB-CZ2 4.39Å; A88-L277 HydrophobicContact CB-CD1 4.31Å; A88-L277 HydrophobicContact CB-CD2 4.3Å
89	I	93.8	Very high	79.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.3	171	-59.5	175	0	0	0	108.3	S77 V78 I91 L110 I111 L113 F117 I129 I231	S77-I89 CarbonylContact O-C 3.56Å; S77-I89 WeakPolarHBondContact O-CA 3.31Å; V78-I89 HydrophobicContact CG2-CG1 4.46Å; I89-I91 HydrophobicContact CG2-CD1 3.79Å; I89-I91 HydrophobicContact CG2-CG1 4.49Å; I89-L110 WeakPolarHBondContact O-CA 3.49Å; I89-I111 HydrophobicContact CB-CB 4.3Å; I89-I111 PolarHBondContact N-O 3.12Å; I89-I111 PolarHBondContact O-N 3Å; I89-L113 HydrophobicContact CD1-CD2 3.97Å; I89-L113 HydrophobicContact CG1-CD1 4.49Å; I89-L113 HydrophobicContact CG1-CD2 3.93Å; I89-L113 HydrophobicContact CG1-CG 4.34Å; I89-F117 HydrophobicContact CD1-CE2 3.62Å; I89-F117 HydrophobicContact CD1-CZ 3.61Å; I89-I129 HydrophobicContact CD1-CD1 3.8Å; I89-I129 HydrophobicContact CD1-CG2 4.29Å; I89-I129 HydrophobicContact CG2-CD1 4.37Å; I89-I231 HydrophobicContact CD1-CD1 3.67Å; I89-I231 HydrophobicContact CD1-CG1 4.21Å
90	F	94.3	Very high	77	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.8	173.9	-75.8	-130.8	0	0	0	108.7	L15 S77 I79 A88 F92 L107 L110 W276 L277 Y280	L15-F90 HydrophobicContact CD2-CE1 4.34Å; S77-F90 PolarHBondContact N-O 3.12Å; S77-F90 PolarHBondContact O-N 3.43Å; I79-F90 HydrophobicContact CB-CD2 3.77Å; I79-F90 HydrophobicContact CB-CE2 3.7Å; I79-F90 HydrophobicContact CB-CZ 4.39Å; I79-F90 HydrophobicContact CD1-CB 3.71Å; I79-F90 HydrophobicContact CD1-CD1 3.38Å; I79-F90 HydrophobicContact CD1-CD2 3.35Å; I79-F90 HydrophobicContact CD1-CE1 3.72Å; I79-F90 HydrophobicContact CD1-CE2 3.7Å; I79-F90 HydrophobicContact CD1-CG 3.19Å; I79-F90 HydrophobicContact CD1-CZ 3.88Å; I79-F90 HydrophobicContact CG1-CB 4.23Å; I79-F90 HydrophobicContact CG1-CD1 4.45Å; I79-F90 HydrophobicContact CG1-CD2 3.54Å; I79-F90 HydrophobicContact CG1-CE2 3.94Å; I79-F90 HydrophobicContact CG1-CG 3.84Å; I79-F90 HydrophobicContact CG2-CE2 4.2Å; I79-F90 HydrophobicContact CG2-CZ 4.46Å; A88-F90 HydrophobicContact CB-CD2 4.32Å; A88-F90 HydrophobicContact CB-CE2 4.01Å; F90-F92 HydrophobicContact CB-CD2 4.2Å; F90-F92 HydrophobicContact CB-CE2 3.41Å; F90-F92 VanDerWaalsContact CB-CE2 3.41Å; F90-F92 HydrophobicContact CB-CZ 3.71Å; F90-F92 HydrophobicContact CD1-CE1 4.36Å; F90-F92 HydrophobicContact CD1-CE2 4.28Å; F90-F92 AromaticContact CD1-CZ 3.66Å; F90-F92 HydrophobicContact CD1-CZ 3.66Å; F90-F92 HydrophobicContact CG-CE2 4.3Å; F90-F92 HydrophobicContact CG-CZ 4.14Å; F90-L107 HydrophobicContact CB-CD1 3.96Å; F90-L107 HydrophobicContact CD1-CD1 3.56Å; F90-L107 HydrophobicContact CD1-CD2 4.08Å; F90-L107 HydrophobicContact CD1-CG 4.48Å; F90-L107 HydrophobicContact CE1-CD1 4.44Å; F90-L107 HydrophobicContact CE1-CD2 4.17Å; F90-L107 HydrophobicContact CG-CD1 4.08Å; F90-L110 HydrophobicContact CB-CD2 4.28Å; F90-L110 HydrophobicContact CD1-CD2 3.36Å; F90-L110 HydrophobicContact CD2-CD2 3.43Å; F90-L110 VanDerWaalsContact CD2-CD2 3.43Å; F90-L110 HydrophobicContact CE1-CD2 3.38Å; F90-L110 HydrophobicContact CE2-CD2 3.43Å; F90-L110 VanDerWaalsContact CE2-CD2 3.43Å; F90-L110 HydrophobicContact CG-CD2 3.38Å; F90-L110 HydrophobicContact CZ-CD2 3.4Å; F90-L110 VanDerWaalsContact CZ-CD2 3.4Å; F90-W276 HydrophobicContact CE2-CH2 4.03Å; F90-W276 HydrophobicContact CE2-CZ3 4.44Å; F90-W276 HydrophobicContact CZ-CH2 4.22Å; F90-W276 HydrophobicContact CZ-CZ3 4.17Å; F90-L277 HydrophobicContact CE2-CD2 3.73Å; F90-L277 HydrophobicContact CZ-CD2 3.57Å; F90-Y280 HydrophobicContact CE1-CD1 4.24Å; F90-Y280 AromaticContact CE1-CD2 3.86Å; F90-Y280 HydrophobicContact CE1-CD2 3.86Å; F90-Y280 HydrophobicContact CE1-CE1 4.42Å; F90-Y280 HydrophobicContact CE1-CE2 4.07Å; F90-Y280 AromaticContact CE1-CG 3.95Å; F90-Y280 HydrophobicContact CE1-CG 3.95Å; F90-Y280 AromaticContact CZ-CD2 3.81Å; F90-Y280 HydrophobicContact CZ-CD2 3.81Å; F90-Y280 AromaticContact CZ-CE2 3.86Å; F90-Y280 HydrophobicContact CZ-CE2 3.86Å; F90-Y280 HydrophobicContact CZ-CG 4.37Å
91	I	91.6	Very high	74.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.6	174.4	-52.7	-61.5	0	0	0	108.8	Y68 V74 A76 I89 R108 D109 L214 L216	Y68-I91 HydrophobicContact CD2-CG2 4.18Å; Y68-I91 HydrophobicContact CE2-CG2 3.65Å; V74-I91 HydrophobicContact CG1-CG2 3.54Å; A76-I91 HydrophobicContact CB-CD1 3.77Å; I89-I91 HydrophobicContact CG2-CD1 3.79Å; I89-I91 HydrophobicContact CG2-CG1 4.49Å; I91-R108 WeakPolarHBondContact O-CA 3.45Å; I91-R108 WeakPolarHBondContact O-CB 3.25Å; I91-R108 PolarHBondContact O-N 3.15Å; I91-D109 HydrophobicContact CB-CB 3.97Å; I91-D109 HydrophobicContact CG1-CB 4.04Å; I91-D109 PolarHBondContact N-O 3.43Å; I91-D109 PolarHBondContact O-N 3.04Å; I91-L214 HydrophobicContact CG1-CD1 4.14Å; I91-L216 HydrophobicContact CD1-CD2 4.1Å
92	F	89.7	Confident	72.5	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.5	179.5	-58.5	-87.2	0	0	0	111.4	V11 Y14 V74 I75 I79 F90 L105 T106 L107	V11-F92 HydrophobicContact CG1-CE2 3.75Å; V11-F92 HydrophobicContact CG1-CZ 3.99Å; V11-F92 HydrophobicContact CG2-CD2 4.29Å; V11-F92 HydrophobicContact CG2-CE2 4.1Å; Y14-F92 AromaticContact CD1-CE1 3.67Å; Y14-F92 HydrophobicContact CD1-CE1 3.67Å; Y14-F92 HydrophobicContact CD1-CZ 4.01Å; Y14-F92 AromaticContact CE1-CE1 3.56Å; Y14-F92 HydrophobicContact CE1-CE1 3.56Å; Y14-F92 HydrophobicContact CE1-CZ 4.15Å; Y14-F92 HydrophobicContact CE2-CE1 4.49Å; Y14-F92 HydrophobicContact CG-CE1 4.2Å; V74-F92 CarbonylContact C-O 3.48Å; V74-F92 VanDerWaalsContact CA-O 3.27Å; V74-F92 WeakPolarHBondContact CA-O 3.44Å; V74-F92 WeakPolarHBondContact CG1-O 3.4Å; I75-F92 HydrophobicContact CB-CB 4.33Å; I75-F92 PolarHBondContact N-O 3.27Å; I75-F92 PolarHBondContact O-N 2.71Å; I79-F92 HydrophobicContact CD1-CE2 4.47Å; I79-F92 HydrophobicContact CD1-CZ 4.34Å; F90-F92 HydrophobicContact CB-CD2 4.2Å; F90-F92 HydrophobicContact CB-CE2 3.41Å; F90-F92 VanDerWaalsContact CB-CE2 3.41Å; F90-F92 HydrophobicContact CB-CZ 3.71Å; F90-F92 HydrophobicContact CD1-CE1 4.36Å; F90-F92 HydrophobicContact CD1-CE2 4.28Å; F90-F92 AromaticContact CD1-CZ 3.66Å; F90-F92 HydrophobicContact CD1-CZ 3.66Å; F90-F92 HydrophobicContact CG-CE2 4.3Å; F90-F92 HydrophobicContact CG-CZ 4.14Å; F92-L105 HydrophobicContact CB-CD2 4.16Å; F92-L105 HydrophobicContact CD1-CB 4.01Å; F92-L105 HydrophobicContact CD1-CD1 4.46Å; F92-T106 CarbonylContact C-O 3.54Å; F92-T106 VanDerWaalsContact CA-O 3.27Å; F92-T106 WeakPolarHBondContact CA-O 3.48Å; F92-L107 HydrophobicContact CD1-CB 4.13Å; F92-L107 HydrophobicContact CD1-CD1 4.07Å; F92-L107 HydrophobicContact CE1-CB 4.06Å; F92-L107 HydrophobicContact CE1-CD1 3.79Å; F92-L107 HydrophobicContact CE1-CG 4.47Å; F92-L107 HydrophobicContact CZ-CD1 4.13Å
93	T	85.3	Confident	71	Confident	12 Å²	12	75 Å²	75	7%	0.074	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.5	160.9	51.4	0	0	0	0	109.8	S73 V74 T106 R108	S73-T93 WeakPolarHBondContact O-CA 3.28Å; V74-T93 HydrophobicContact CG2-CG2 4.25Å; T93-T106 PolarHBondContact N-O 2.94Å; T93-T106 PolarHBondContact O-N 3.08Å; T93-R108 HydrophobicContact CG2-CG 3.62Å; T93-R108 PolarHBondContact OG1-NE 2.99Å
94	R	77.5	Confident	70.2	Confident	105 Å²	105	73.9 Å²	73.9	40%	0.396	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.1	174.3	-179.9	177.1	172.5	-176.4	-4.7	110.2	S73 L105	S73-R94 PolarHBondContact O-N 3.02Å; R94-L105 HydrophobicContact CB-CD2 4.46Å
95	S	65	Low	70.2	Confident	44 Å²	44	72.6 Å²	72.6	31%	0.308	38%	0.377	S	S	.	.			trans	-83.2	141	167.6	85.1	0	0	0	0	109.9	S104	S95-S104 PolarHBondContact N-O 2.82Å; S95-S104 PolarHBondContact OG-OG 3.43Å
96	Q	55.1	Low	70.1	Confident	171 Å²	171	69.4 Å²	69.4	80%	0.799	37%	0.367	S	S	*	.			trans	-100.2	85.4	169	-66.6	-167.6	17	0	0	108.1
97	N	50.4	Low	70.2	Confident	133 Å²	133	68.7 Å²	68.7	71%	0.711	36%	0.364	S	S	*	.			trans	-88.6	117.7	163	-82.6	-1.6	0	0	0	108.1	E99	N97-E99 VanDerWaalsContact C-N 3.3Å; N97-E99 PolarHBondContact O-N 2.65Å
98	S	41	Very low	69.9	Low	124 Å²	124	74.7 Å²	74.7	87%	0.867	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	0.9	-169.3	47.4	0	0	0	0	115.5
99	E	41.4	Very low	69.6	Low	181 Å²	181	75.2 Å²	75.2	85%	0.846	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-12.6	-169.9	-70.5	-172.1	160.7	0	0	115.7	N97	N97-E99 VanDerWaalsContact C-N 3.3Å; N97-E99 PolarHBondContact O-N 2.65Å
100	L	40.5	Very low	69.4	Low	139 Å²	139	75.4 Å²	75.4	73%	0.728	39%	0.39	S	S	*	.	S	Bend	trans	-137.3	124.3	175	-78.4	148.5	0	0	0	108	Q102	L100-Q102 PolarHBondContact O-N 3.42Å
101	N	39.7	Very low	69.2	Low	184 Å²	184	75.4 Å²	75.4	98%	0.984	39%	0.39	S	S	*	.	S	Bend	trans	-65.4	41.5	-179.1	-92.8	-27	0	0	0	114.2
102	Q	47	Very low	69.1	Low	160 Å²	160	75.4 Å²	75.4	75%	0.748	39%	0.39	S	S	*	.			trans	-120.1	114.7	174.4	-71.8	-176.9	-3.5	0	0	109.4	L100 S104	L100-Q102 PolarHBondContact O-N 3.42Å; Q102-S104 PolarHBondContact O-N 3.49Å
103	T	54.3	Low	69.1	Low	57 Å²	57	75.4 Å²	75.4	35%	0.35	39%	0.39	S	S	.	.			trans	-73	104.6	175.4	54.8	0	0	0	0	109.5	T10	T10-T103 WeakPolarHBondContact CG2-OG1 3.3Å
104	S	68.4	Low	68.9	Low	55 Å²	55	75.3 Å²	75.3	39%	0.385	39%	0.389	S	S	.	.			trans	-79.2	123.6	172.1	59.8	0	0	0	0	110.1	S95 Q102	S95-S104 PolarHBondContact N-O 2.82Å; S95-S104 PolarHBondContact OG-OG 3.43Å; Q102-S104 PolarHBondContact O-N 3.49Å
105	L	83.7	Confident	68.9	Low	19 Å²	19	76.2 Å²	76.2	10%	0.099	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.7	171.3	-68.8	178	0	0	0	108.7	T10 V11 Y14 I75 F92 R94	T10-L105 HydrophobicContact CG2-CD1 3.86Å; T10-L105 HydrophobicContact CG2-CG 4.14Å; V11-L105 HydrophobicContact CG2-CD1 3.98Å; Y14-L105 HydrophobicContact CD2-CB 4.07Å; I75-L105 HydrophobicContact CD1-CD2 3.6Å; F92-L105 HydrophobicContact CB-CD2 4.16Å; F92-L105 HydrophobicContact CD1-CB 4.01Å; F92-L105 HydrophobicContact CD1-CD1 4.46Å; R94-L105 HydrophobicContact CB-CD2 4.46Å
106	T	83.3	Confident	69.4	Low	45 Å²	45	78.2 Å²	78.2	28%	0.276	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.9	170.2	-50.5	0	0	0	0	108.5	F92 T93	F92-T106 CarbonylContact C-O 3.54Å; F92-T106 VanDerWaalsContact CA-O 3.27Å; F92-T106 WeakPolarHBondContact CA-O 3.48Å; T93-T106 PolarHBondContact N-O 2.94Å; T93-T106 PolarHBondContact O-N 3.08Å
107	L	88	Confident	70.7	Confident	12 Å²	12	70.3 Å²	70.3	6%	0.063	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.7	174.4	-178.1	60.9	0	0	0	110.1	F90 F92 L110 Y280	F90-L107 HydrophobicContact CB-CD1 3.96Å; F90-L107 HydrophobicContact CD1-CD1 3.56Å; F90-L107 HydrophobicContact CD1-CD2 4.08Å; F90-L107 HydrophobicContact CD1-CG 4.48Å; F90-L107 HydrophobicContact CE1-CD1 4.44Å; F90-L107 HydrophobicContact CE1-CD2 4.17Å; F90-L107 HydrophobicContact CG-CD1 4.08Å; F92-L107 HydrophobicContact CD1-CB 4.13Å; F92-L107 HydrophobicContact CD1-CD1 4.07Å; F92-L107 HydrophobicContact CE1-CB 4.06Å; F92-L107 HydrophobicContact CE1-CD1 3.79Å; F92-L107 HydrophobicContact CE1-CG 4.47Å; F92-L107 HydrophobicContact CZ-CD1 4.13Å; L107-L110 HydrophobicContact CD1-CD2 3.98Å; L107-L110 HydrophobicContact CD1-CG 4.4Å; L107-L110 HydrophobicContact CD2-CD1 4.13Å; L107-L110 HydrophobicContact CD2-CD2 3.95Å; L107-L110 HydrophobicContact CD2-CG 4.02Å; L107-L110 HydrophobicContact CG-CD2 4.45Å; L107-L110 HydrophobicContact CG-CG 4.49Å; L107-Y280 HydrophobicContact CD2-CG 4.5Å
108	R	85.2	Confident	72.1	Confident	127 Å²	127	66.1 Å²	66.1	48%	0.479	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-36.4	-177.4	-69.4	-59.6	-172.4	169.7	-1.8	113.8	Y68 I91 T93	Y68-R108 HydrophobicContact CE1-CB 4.03Å; Y68-R108 HydrophobicContact CE1-CG 4.4Å; I91-R108 WeakPolarHBondContact O-CA 3.45Å; I91-R108 WeakPolarHBondContact O-CB 3.25Å; I91-R108 PolarHBondContact O-N 3.15Å; T93-R108 HydrophobicContact CG2-CG 3.62Å; T93-R108 PolarHBondContact OG1-NE 2.99Å
109	D	86.5	Confident	74	Confident	12 Å²	12	60.5 Å²	60.5	6%	0.064	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	151.8	-177.6	-134.3	-26.4	0	0	0	110.9	Y68 I91 R133	Y68-D109 WeakPolarHBondContact OH-CB 3.4Å; Y68-D109 PolarHBondContact OH-OD2 3.47Å; I91-D109 HydrophobicContact CB-CB 3.97Å; I91-D109 HydrophobicContact CG1-CB 4.04Å; I91-D109 PolarHBondContact N-O 3.43Å; I91-D109 PolarHBondContact O-N 3.04Å; D109-R133 WeakPolarHBondContact OD1-CD 3.49Å; D109-R133 WeakPolarHBondContact OD1-CG 3.37Å; D109-R133 IonicContact OD1-NE 3.31Å; D109-R133 PolarHBondContact OD1-NE 3.5Å; D109-R133 IonicContact OD2-CZ 2.68Å; D109-R133 VanDerWaalsContact OD2-CZ 3.23Å; D109-R133 IonicContact OD2-NE 2.89Å; D109-R133 PolarHBondContact OD2-NE 2.66Å; D109-R133 IonicContact OD2-NH2 3.81Å; D109-R133 PolarHBondContact OD2-NH2 3.34Å
110	L	90.3	Very high	75.7	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.9	177.7	-72.7	177.2	0	0	0	108.3	I89 F90 L107 R133 W134 L277 L281	I89-L110 WeakPolarHBondContact O-CA 3.49Å; F90-L110 HydrophobicContact CB-CD2 4.28Å; F90-L110 HydrophobicContact CD1-CD2 3.36Å; F90-L110 HydrophobicContact CD2-CD2 3.43Å; F90-L110 VanDerWaalsContact CD2-CD2 3.43Å; F90-L110 HydrophobicContact CE1-CD2 3.38Å; F90-L110 HydrophobicContact CE2-CD2 3.43Å; F90-L110 VanDerWaalsContact CE2-CD2 3.43Å; F90-L110 HydrophobicContact CG-CD2 3.38Å; F90-L110 HydrophobicContact CZ-CD2 3.4Å; F90-L110 VanDerWaalsContact CZ-CD2 3.4Å; L107-L110 HydrophobicContact CD1-CD2 3.98Å; L107-L110 HydrophobicContact CD1-CG 4.4Å; L107-L110 HydrophobicContact CD2-CD1 4.13Å; L107-L110 HydrophobicContact CD2-CD2 3.95Å; L107-L110 HydrophobicContact CD2-CG 4.02Å; L107-L110 HydrophobicContact CG-CD2 4.45Å; L107-L110 HydrophobicContact CG-CG 4.49Å; L110-R133 CarbonylContact O-C 3.56Å; L110-R133 VanDerWaalsContact O-CA 3.31Å; L110-R133 WeakPolarHBondContact O-CA 3.44Å; L110-W134 HydrophobicContact CB-CB 3.81Å; L110-W134 HydrophobicContact CD1-CB 4.32Å; L110-W134 PolarHBondContact O-N 2.95Å; L110-L277 HydrophobicContact CD1-CD2 4.45Å; L110-L277 HydrophobicContact CD2-CD2 4.41Å; L110-L281 HydrophobicContact CD1-CD2 4.08Å; L110-L281 HydrophobicContact CD1-CG 4.4Å
111	I	89.2	Confident	77.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.4	-179.9	-62.3	171.6	0	0	0	109.4	A88 I89 F117 I129 R132 T212 L214	A88-I111 CarbonylContact C-O 3.55Å; A88-I111 VanDerWaalsContact CA-O 3.28Å; A88-I111 WeakPolarHBondContact CA-O 3.29Å; A88-I111 WeakPolarHBondContact CB-O 3.33Å; I89-I111 HydrophobicContact CB-CB 4.3Å; I89-I111 PolarHBondContact N-O 3.12Å; I89-I111 PolarHBondContact O-N 3Å; I111-F117 HydrophobicContact CG2-CD2 3.93Å; I111-F117 HydrophobicContact CG2-CE2 3.99Å; I111-I129 HydrophobicContact CD1-CD1 3.52Å; I111-I129 HydrophobicContact CD1-CG1 4.26Å; I111-R132 WeakPolarHBondContact CA-O 3.38Å; I111-T212 HydrophobicContact CD1-CG2 3.97Å; I111-T212 HydrophobicContact CG1-CG2 4.15Å; I111-L214 HydrophobicContact CD1-CD1 3.38Å; I111-L214 HydrophobicContact CD1-CG 4Å
112	L	90.4	Very high	78.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135	-178.7	-51.5	-176.1	0	0	0	111	N114 F117 R132 W134 F274 L277	L112-N114 PolarHBondContact O-N 3Å; L112-F117 WeakPolarHBondContact O-CD2 3.47Å; L112-R132 HydrophobicContact CD1-CB 4.1Å; L112-R132 HydrophobicContact CG-CB 4.34Å; L112-R132 PolarHBondContact N-O 3.1Å; L112-W134 HydrophobicContact CD1-CE3 3.97Å; L112-W134 HydrophobicContact CD1-CZ3 4.33Å; L112-W134 HydrophobicContact CD2-CB 4.2Å; L112-W134 HydrophobicContact CD2-CD2 4.43Å; L112-W134 HydrophobicContact CD2-CE3 3.97Å; L112-W134 HydrophobicContact CG-CE3 4.45Å; L112-F274 HydrophobicContact CB-CE1 4.33Å; L112-F274 HydrophobicContact CB-CZ 4.3Å; L112-F274 HydrophobicContact CD1-CD2 4.01Å; L112-F274 HydrophobicContact CD1-CE2 4.33Å; L112-F274 HydrophobicContact CD1-CG 4.2Å; L112-F274 HydrophobicContact CD2-CB 4.15Å; L112-F274 HydrophobicContact CD2-CD1 3.72Å; L112-F274 HydrophobicContact CD2-CD2 4.44Å; L112-F274 HydrophobicContact CD2-CE1 4.18Å; L112-F274 HydrophobicContact CD2-CG 3.85Å; L112-L277 HydrophobicContact CD2-CD1 3.37Å
113	L	88.5	Confident	79.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	80.2	164.6	-59.3	-177.8	0	0	0	108.3	V78 S87 I89 F117 I231 S238	V78-L113 HydrophobicContact CG1-CD1 4.02Å; S87-L113 VanDerWaalsContact O-CB 3.28Å; S87-L113 WeakPolarHBondContact O-CB 3.47Å; S87-L113 PolarHBondContact O-N 2.64Å; I89-L113 HydrophobicContact CD1-CD2 3.97Å; I89-L113 HydrophobicContact CG1-CD1 4.49Å; I89-L113 HydrophobicContact CG1-CD2 3.93Å; I89-L113 HydrophobicContact CG1-CG 4.34Å; L113-F117 HydrophobicContact CD2-CB 4.38Å; L113-F117 HydrophobicContact CD2-CD1 3.48Å; L113-F117 VanDerWaalsContact CD2-CD1 3.48Å; L113-F117 HydrophobicContact CD2-CD2 3.46Å; L113-F117 VanDerWaalsContact CD2-CD2 3.46Å; L113-F117 HydrophobicContact CD2-CE1 3.5Å; L113-F117 HydrophobicContact CD2-CE2 3.46Å; L113-F117 VanDerWaalsContact CD2-CE2 3.46Å; L113-F117 HydrophobicContact CD2-CG 3.47Å; L113-F117 VanDerWaalsContact CD2-CG 3.47Å; L113-F117 HydrophobicContact CD2-CZ 3.48Å; L113-F117 VanDerWaalsContact CD2-CZ 3.48Å; L113-I231 HydrophobicContact CD2-CG2 4.18Å; L113-S238 PolarHBondContact O-OG 2.89Å
114	N	82.4	Confident	80.6	Confident	11 Å²	11	41.2 Å²	41.2	6%	0.059	22%	0.219	C	C	.	.	S	Bend	trans	-122.2	-174.4	177	69.7	-1.1	0	0	0	110.2	L112 E116 F117 F235 F274	L112-N114 PolarHBondContact O-N 3Å; N114-E116 PolarHBondContact O-N 2.95Å; N114-E116 PolarHBondContact OD1-N 2.8Å; N114-E116 VanDerWaalsContact OD1-N 3.09Å; N114-F117 VanDerWaalsContact O-CB 3.26Å; N114-F117 WeakPolarHBondContact O-CB 3.25Å; N114-F117 PolarHBondContact O-N 3.41Å; N114-F117 PolarHBondContact OD1-N 3.31Å; N114-F235 WeakPolarHBondContact O-CE2 3.45Å; N114-F274 HydrophobicContact CB-CE2 3.96Å; N114-F274 HydrophobicContact CB-CZ 3.97Å
115	D	75.9	Confident	81.4	Confident	124 Å²	124	41.3 Å²	41.3	66%	0.663	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.6	-177.4	-57.9	-25.2	0	0	0	114.9
116	E	76.2	Confident	81.5	Confident	85 Å²	85	42.2 Å²	42.2	40%	0.397	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-4.1	175.2	-60.9	-169.4	173.8	0	0	113.8	N114 R132	N114-E116 PolarHBondContact O-N 2.95Å; N114-E116 PolarHBondContact OD1-N 2.8Å; N114-E116 VanDerWaalsContact OD1-N 3.09Å; E116-R132 VanDerWaalsContact CD-NE 3.32Å; E116-R132 VanDerWaalsContact CD-NH2 3.3Å; E116-R132 IonicContact OE1-CZ 3.45Å; E116-R132 IonicContact OE1-NE 3.01Å; E116-R132 IonicContact OE1-NH2 3.8Å; E116-R132 PolarHBondContact OE1-NH2 2.97Å; E116-R132 WeakPolarHBondContact OE2-CD 3.27Å; E116-R132 WeakPolarHBondContact OE2-CG 3.27Å; E116-R132 IonicContact OE2-CZ 3.35Å; E116-R132 IonicContact OE2-NE 2.74Å; E116-R132 PolarHBondContact OE2-NE 3.26Å; E116-R132 IonicContact OE2-NH2 2.86Å; E116-R132 PolarHBondContact OE2-NH2 3.24Å
117	F	82.6	Confident	81.5	Confident	6 Å²	6	40.1 Å²	40.1	3%	0.026	21%	0.206	C	C	.	.			trans	-74.2	140.3	176.8	-178.1	-90.9	0	0	0	111.3	I89 I111 L112 L113 N114 C119 I129 T130 I231 F235	I89-F117 HydrophobicContact CD1-CE2 3.62Å; I89-F117 HydrophobicContact CD1-CZ 3.61Å; I111-F117 HydrophobicContact CG2-CD2 3.93Å; I111-F117 HydrophobicContact CG2-CE2 3.99Å; L112-F117 WeakPolarHBondContact O-CD2 3.47Å; L113-F117 HydrophobicContact CD2-CB 4.38Å; L113-F117 HydrophobicContact CD2-CD1 3.48Å; L113-F117 VanDerWaalsContact CD2-CD1 3.48Å; L113-F117 HydrophobicContact CD2-CD2 3.46Å; L113-F117 VanDerWaalsContact CD2-CD2 3.46Å; L113-F117 HydrophobicContact CD2-CE1 3.5Å; L113-F117 HydrophobicContact CD2-CE2 3.46Å; L113-F117 VanDerWaalsContact CD2-CE2 3.46Å; L113-F117 HydrophobicContact CD2-CG 3.47Å; L113-F117 VanDerWaalsContact CD2-CG 3.47Å; L113-F117 HydrophobicContact CD2-CZ 3.48Å; L113-F117 VanDerWaalsContact CD2-CZ 3.48Å; N114-F117 VanDerWaalsContact O-CB 3.26Å; N114-F117 WeakPolarHBondContact O-CB 3.25Å; N114-F117 PolarHBondContact O-N 3.41Å; N114-F117 PolarHBondContact OD1-N 3.31Å; F117-C119 HydrophobicContact CE1-CB 3.78Å; F117-C119 HydrophobicContact CZ-CB 3.88Å; F117-I129 HydrophobicContact CE2-CB 4.01Å; F117-I129 HydrophobicContact CE2-CG2 4.41Å; F117-I129 HydrophobicContact CZ-CB 4.02Å; F117-I129 HydrophobicContact CZ-CG2 3.96Å; F117-T130 CarbonylContact C-O 3.5Å; F117-T130 WeakPolarHBondContact CA-O 3.25Å; F117-T130 WeakPolarHBondContact CD2-O 3.4Å; F117-I231 HydrophobicContact CD1-CG2 4.29Å; F117-I231 HydrophobicContact CE1-CG2 3.25Å; F117-I231 HydrophobicContact CZ-CG2 3.62Å; F117-F235 HydrophobicContact CB-CD2 4.01Å; F117-F235 HydrophobicContact CB-CE2 4.15Å; F117-F235 AromaticContact CD1-CD2 3.96Å; F117-F235 HydrophobicContact CD1-CD2 3.96Å; F117-F235 HydrophobicContact CD1-CG 4.41Å; F117-F235 HydrophobicContact CG-CD2 4.48Å; F117-F235 WeakPolarHBondContact O-CE2 3.29Å
118	S	79.8	Confident	81.2	Confident	44 Å²	44	41.4 Å²	41.4	31%	0.308	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.8	170.7	50.2	0	0	0	0	110.5	I129 T130	S118-I129 CarbonylContact O-C 3.5Å; S118-I129 WeakPolarHBondContact O-CA 3.41Å; S118-T130 PolarHBondContact N-O 3.42Å; S118-T130 PolarHBondContact O-N 2.87Å; S118-T130 WeakPolarHBondContact OG-CB 3.25Å
119	C	81.4	Confident	81.2	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.047	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146	171.9	65	0	0	0	0	111.4	F117 I127 Y128 I129 I231 I232	F117-C119 HydrophobicContact CE1-CB 3.78Å; F117-C119 HydrophobicContact CZ-CB 3.88Å; C119-I127 HydrophobicContact CB-CG2 4.18Å; C119-Y128 CarbonylContact C-O 3.6Å; C119-Y128 VanDerWaalsContact CA-O 3.25Å; C119-Y128 WeakPolarHBondContact CA-O 3.17Å; C119-I129 HydrophobicContact CB-CG2 3.83Å; C119-I231 HydrophobicContact CB-CG2 4.28Å; C119-I231 VanDerWaalsContact SG-CG2 3.53Å; C119-I232 WeakPolarHBondContact SG-CD1 3.2Å
120	E	77.1	Confident	80.8	Confident	36 Å²	36	35.3 Å²	35.3	17%	0.168	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.9	177.1	-67.8	-179.2	-172.3	0	0	110	I127 Y128 P652	E120-I127 CarbonylContact O-C 3.54Å; E120-I127 WeakPolarHBondContact O-CA 3.19Å; E120-Y128 PolarHBondContact N-O 2.8Å; E120-Y128 PolarHBondContact O-N 2.9Å; E120-P652 HydrophobicContact CG-CG 4.08Å; E120-P652 WeakPolarHBondContact OE1-CG 3.31Å
121	V	73.5	Confident	80.4	Confident	53 Å²	53	35.2 Å²	35.2	32%	0.321	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.9	168.6	-177.8	0	0	0	0	107.9	E123 H126 I127 T224 Y228	V121-E123 WeakPolarHBondContact CG1-O 3.45Å; V121-H126 CarbonylContact C-O 3.42Å; V121-H126 VanDerWaalsContact CA-O 3.24Å; V121-H126 WeakPolarHBondContact CA-O 3.39Å; V121-I127 HydrophobicContact CG2-CG1 4.46Å; V121-T224 HydrophobicContact CG1-CG2 4.08Å; V121-Y228 HydrophobicContact CG2-CD1 3.94Å; V121-Y228 HydrophobicContact CG2-CD2 3.56Å; V121-Y228 HydrophobicContact CG2-CE1 4.36Å; V121-Y228 HydrophobicContact CG2-CE2 4.01Å; V121-Y228 HydrophobicContact CG2-CG 3.51Å
122	D	60.2	Low	80	Confident	45 Å²	45	37.7 Å²	37.7	24%	0.241	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-44.3	-174.5	-167.9	23.9	0	0	0	112.2	H126 K654	D122-H126 HydrophobicContact CB-CB 4.38Å; D122-H126 PolarHBondContact N-O 2.81Å; D122-K654 VanDerWaalsContact OD1-CE 3.31Å; D122-K654 WeakPolarHBondContact OD1-CE 3.48Å; D122-K654 IonicContact OD1-NZ 2.73Å; D122-K654 PolarHBondContact OD1-NZ 2.68Å
123	E	74.2	Confident	79.8	Confident	103 Å²	103	39.5 Å²	39.5	48%	0.481	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	165.3	176.4	-75.4	-70.3	170.7	0	0	107.6	V121 D125 H126	V121-E123 WeakPolarHBondContact CG1-O 3.45Å; E123-D125 PolarHBondContact O-N 3.34Å; E123-H126 HydrophobicContact CB-CB 4.07Å; E123-H126 WeakPolarHBondContact CB-ND1 3.35Å; E123-H126 PolarHBondContact O-N 3.4Å
124	P	76.9	Confident	79.6	Confident	79 Å²	79	39.8 Å²	39.8	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-31.8	-175.9	-28.1	34.4	0	0	0	114.5	S221 T224	P124-S221 WeakPolarHBondContact O-CA 3.35Å; P124-S221 WeakPolarHBondContact O-CB 3.45Å; P124-T224 WeakPolarHBondContact O-CB 3.31Å; P124-T224 WeakPolarHBondContact O-CG2 3.37Å; P124-T224 PolarHBondContact O-OG1 2.67Å
125	D	85.2	Confident	79	Confident	56 Å²	56	42.3 Å²	42.3	30%	0.299	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	8.7	-176.7	-55.1	-39.4	0	0	0	114.1	E123 E217 F218 N220 S221 T224	E123-D125 PolarHBondContact O-N 3.34Å; D125-E217 CarbonylContact O-C 3.54Å; D125-F218 PolarHBondContact O-N 3.47Å; D125-N220 WeakPolarHBondContact OD1-CA 3.41Å; D125-S221 WeakPolarHBondContact OD1-CA 3.41Å; D125-S221 VanDerWaalsContact OD1-CB 3.31Å; D125-S221 WeakPolarHBondContact OD1-CB 3.31Å; D125-S221 PolarHBondContact OD1-N 3.05Å; D125-T224 VanDerWaalsContact CA-OG1 3.25Å; D125-T224 WeakPolarHBondContact CA-OG1 3.49Å
126	H	84.1	Confident	78	Confident	39 Å²	39	40 Å²	40	18%	0.181	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.5	-169	-66.3	80.8	0	0	0	112.7	V121 D122 E123 L215 L216 E217	V121-H126 CarbonylContact C-O 3.42Å; V121-H126 VanDerWaalsContact CA-O 3.24Å; V121-H126 WeakPolarHBondContact CA-O 3.39Å; D122-H126 HydrophobicContact CB-CB 4.38Å; D122-H126 PolarHBondContact N-O 2.81Å; E123-H126 HydrophobicContact CB-CB 4.07Å; E123-H126 WeakPolarHBondContact CB-ND1 3.35Å; E123-H126 PolarHBondContact O-N 3.4Å; H126-L215 HydrophobicContact CB-CD1 4.06Å; H126-L216 CarbonylContact C-O 3.55Å; H126-L216 WeakPolarHBondContact CA-O 3.14Å; H126-E217 WeakPolarHBondContact NE2-CG 3.49Å; H126-E217 IonicContact NE2-OE1 2.93Å; H126-E217 IonicContact NE2-OE2 3.51Å
127	I	83.9	Confident	76.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.9	170.5	-52	175.9	0	0	0	109.3	C119 E120 V121 I129 L216 F218 T224 F227 Y228	C119-I127 HydrophobicContact CB-CG2 4.18Å; E120-I127 CarbonylContact O-C 3.54Å; E120-I127 WeakPolarHBondContact O-CA 3.19Å; V121-I127 HydrophobicContact CG2-CG1 4.46Å; I127-I129 HydrophobicContact CG2-CG2 3.81Å; I127-L216 HydrophobicContact CB-CB 4.42Å; I127-L216 PolarHBondContact N-O 3.44Å; I127-L216 WeakPolarHBondContact O-CB 3.42Å; I127-L216 PolarHBondContact O-N 2.93Å; I127-F218 HydrophobicContact CB-CE2 4.01Å; I127-F218 HydrophobicContact CD1-CD2 4.21Å; I127-F218 HydrophobicContact CD1-CE2 3.35Å; I127-F218 HydrophobicContact CD1-CZ 3.58Å; I127-F218 HydrophobicContact CG1-CD2 4.15Å; I127-F218 HydrophobicContact CG1-CE2 3.57Å; I127-F218 HydrophobicContact CG1-CZ 4.32Å; I127-T224 HydrophobicContact CD1-CG2 4.04Å; I127-T224 WeakPolarHBondContact CD1-O 3.41Å; I127-T224 HydrophobicContact CG1-CG2 3.5Å; I127-F227 HydrophobicContact CD1-CB 4.06Å; I127-F227 HydrophobicContact CD1-CD1 3.66Å; I127-F227 HydrophobicContact CD1-CG 4.35Å; I127-Y228 HydrophobicContact CG2-CD2 4.47Å
128	Y	81.4	Confident	74.3	Confident	39 Å²	39	44.1 Å²	44.1	15%	0.153	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117	170.8	-165.2	-90.4	0	0	0	109.5	C119 E120 S213 L215 K655 Y657	C119-Y128 CarbonylContact C-O 3.6Å; C119-Y128 VanDerWaalsContact CA-O 3.25Å; C119-Y128 WeakPolarHBondContact CA-O 3.17Å; E120-Y128 PolarHBondContact N-O 2.8Å; E120-Y128 PolarHBondContact O-N 2.9Å; Y128-S213 VanDerWaalsContact CZ-CB 3.47Å; Y128-S213 WeakPolarHBondContact OH-CB 3.37Å; Y128-S213 PolarHBondContact OH-OG 2.83Å; Y128-L215 HydrophobicContact CD2-CB 4.11Å; Y128-L215 HydrophobicContact CD2-CD1 3.99Å; Y128-K655 HydrophobicContact CD1-CD 4.39Å; Y128-K655 HydrophobicContact CE1-CD 3.54Å; Y128-Y657 WeakPolarHBondContact CE2-OH 3.31Å
129	I	85.3	Confident	71.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	141.3	177.5	64.3	172.4	0	0	0	110.5	I89 I111 F117 S118 C119 I127 S213 L214 L216 I231	I89-I129 HydrophobicContact CD1-CD1 3.8Å; I89-I129 HydrophobicContact CD1-CG2 4.29Å; I89-I129 HydrophobicContact CG2-CD1 4.37Å; I111-I129 HydrophobicContact CD1-CD1 3.52Å; I111-I129 HydrophobicContact CD1-CG1 4.26Å; F117-I129 HydrophobicContact CE2-CB 4.01Å; F117-I129 HydrophobicContact CE2-CG2 4.41Å; F117-I129 HydrophobicContact CZ-CB 4.02Å; F117-I129 HydrophobicContact CZ-CG2 3.96Å; S118-I129 CarbonylContact O-C 3.5Å; S118-I129 WeakPolarHBondContact O-CA 3.41Å; C119-I129 HydrophobicContact CB-CG2 3.83Å; I127-I129 HydrophobicContact CG2-CG2 3.81Å; I129-S213 CarbonylContact O-C 3.54Å; I129-S213 WeakPolarHBondContact O-CA 3.38Å; I129-L214 HydrophobicContact CD1-CB 4.19Å; I129-L214 HydrophobicContact CD1-CD1 4.43Å; I129-L214 HydrophobicContact CG1-CB 3.79Å; I129-L214 WeakPolarHBondContact CG1-O 3.39Å; I129-L214 PolarHBondContact N-O 2.97Å; I129-L214 PolarHBondContact O-N 2.98Å; I129-L216 HydrophobicContact CD1-CD1 4.07Å; I129-L216 HydrophobicContact CD1-CD2 4.43Å; I129-L216 HydrophobicContact CD1-CG 4.31Å; I129-L216 HydrophobicContact CG1-CG 4.44Å; I129-L216 HydrophobicContact CG2-CD1 4.26Å; I129-I231 HydrophobicContact CG2-CD1 4.47Å
130	T	79.4	Confident	69.2	Low	12 Å²	12	56.6 Å²	56.6	7%	0.074	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.2	170.3	-58.8	0	0	0	0	108.3	F117 S118 L211 T212 S213 K655	F117-T130 CarbonylContact C-O 3.5Å; F117-T130 WeakPolarHBondContact CA-O 3.25Å; F117-T130 WeakPolarHBondContact CD2-O 3.4Å; S118-T130 PolarHBondContact N-O 3.42Å; S118-T130 PolarHBondContact O-N 2.87Å; S118-T130 WeakPolarHBondContact OG-CB 3.25Å; T130-L211 HydrophobicContact CG2-CD1 4.25Å; T130-L211 HydrophobicContact CG2-CD2 4.4Å; T130-L211 HydrophobicContact CG2-CG 4.21Å; T130-T212 CarbonylContact C-O 3.57Å; T130-T212 VanDerWaalsContact CA-O 3.26Å; T130-T212 WeakPolarHBondContact CA-O 3.36Å; T130-T212 WeakPolarHBondContact CG2-O 3.43Å; T130-S213 WeakPolarHBondContact CG2-OG 3.49Å; T130-S213 PolarHBondContact OG1-OG 3.41Å; T130-K655 PolarHBondContact OG1-NZ 2.81Å; T130-K655 VanDerWaalsContact OG1-NZ 3.1Å
131	G	81.3	Confident	66.7	Low	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	173.5	179.7	0	0	0	0	0	112.1	T212	G131-T212 PolarHBondContact N-O 3.41Å; G131-T212 PolarHBondContact O-N 2.86Å
132	R	81.2	Confident	64.5	Low	52 Å²	52	68.5 Å²	68.5	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.7	177.7	-77.7	-174.5	175.6	-167.6	20	110.8	I111 L112 E116 T209 L211	I111-R132 WeakPolarHBondContact CA-O 3.38Å; L112-R132 HydrophobicContact CD1-CB 4.1Å; L112-R132 HydrophobicContact CG-CB 4.34Å; L112-R132 PolarHBondContact N-O 3.1Å; E116-R132 VanDerWaalsContact CD-NE 3.32Å; E116-R132 VanDerWaalsContact CD-NH2 3.3Å; E116-R132 IonicContact OE1-CZ 3.45Å; E116-R132 IonicContact OE1-NE 3.01Å; E116-R132 IonicContact OE1-NH2 3.8Å; E116-R132 PolarHBondContact OE1-NH2 2.97Å; E116-R132 WeakPolarHBondContact OE2-CD 3.27Å; E116-R132 WeakPolarHBondContact OE2-CG 3.27Å; E116-R132 IonicContact OE2-CZ 3.35Å; E116-R132 IonicContact OE2-NE 2.74Å; E116-R132 PolarHBondContact OE2-NE 3.26Å; E116-R132 IonicContact OE2-NH2 2.86Å; E116-R132 PolarHBondContact OE2-NH2 3.24Å; R132-T209 HydrophobicContact CB-CG2 4.48Å; R132-T209 WeakPolarHBondContact CD-OG1 3.27Å; R132-T209 PolarHBondContact NH1-OG1 2.94Å; R132-L211 HydrophobicContact CG-CD1 4.37Å
133	R	85.4	Confident	62.9	Low	39 Å²	39	74 Å²	74	15%	0.147	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138	167.3	-71.9	-176.3	164.1	146.8	3	110.8	E67 D109 L110 L135 Q210 T212	E67-R133 IonicContact OE1-NH2 2.6Å; E67-R133 IonicContact OE2-CZ 2.96Å; E67-R133 IonicContact OE2-NH2 3.14Å; E67-R133 PolarHBondContact OE2-NH2 2.74Å; D109-R133 WeakPolarHBondContact OD1-CD 3.49Å; D109-R133 WeakPolarHBondContact OD1-CG 3.37Å; D109-R133 IonicContact OD1-NE 3.31Å; D109-R133 PolarHBondContact OD1-NE 3.5Å; D109-R133 IonicContact OD2-CZ 2.68Å; D109-R133 VanDerWaalsContact OD2-CZ 3.23Å; D109-R133 IonicContact OD2-NE 2.89Å; D109-R133 PolarHBondContact OD2-NE 2.66Å; D109-R133 IonicContact OD2-NH2 3.81Å; D109-R133 PolarHBondContact OD2-NH2 3.34Å; L110-R133 CarbonylContact O-C 3.56Å; L110-R133 VanDerWaalsContact O-CA 3.31Å; L110-R133 WeakPolarHBondContact O-CA 3.44Å; R133-L135 HydrophobicContact CB-CD1 4.5Å; R133-L135 HydrophobicContact CB-CG 4.18Å; R133-Q210 PolarHBondContact N-O 2.84Å; R133-T212 HydrophobicContact CG-CG2 3.4Å; R133-T212 PolarHBondContact NE-OG1 3Å; R133-T212 PolarHBondContact NH1-OG1 2.89Å; R133-T212 PolarHBondContact NH2-OG1 3.24Å
134	W	83.4	Confident	60.6	Low	6 Å²	6	75.2 Å²	75.2	2%	0.023	40%	0.396	C	S	.	.			trans	-90	115.3	168.6	-163.5	-109.5	0	0	0	109.8	L110 L112 T209 F274 L277 N278 L281	L110-W134 HydrophobicContact CB-CB 3.81Å; L110-W134 HydrophobicContact CD1-CB 4.32Å; L110-W134 PolarHBondContact O-N 2.95Å; L112-W134 HydrophobicContact CD1-CE3 3.97Å; L112-W134 HydrophobicContact CD1-CZ3 4.33Å; L112-W134 HydrophobicContact CD2-CB 4.2Å; L112-W134 HydrophobicContact CD2-CD2 4.43Å; L112-W134 HydrophobicContact CD2-CE3 3.97Å; L112-W134 HydrophobicContact CG-CE3 4.45Å; W134-T209 HydrophobicContact CE3-CG2 4.2Å; W134-T209 HydrophobicContact CZ3-CG2 4.4Å; W134-F274 HydrophobicContact CE3-CB 4.25Å; W134-F274 HydrophobicContact CH2-CB 3.97Å; W134-F274 HydrophobicContact CZ3-CB 3.81Å; W134-L277 HydrophobicContact CB-CD1 4.24Å; W134-L277 HydrophobicContact CD2-CB 4.42Å; W134-L277 HydrophobicContact CD2-CD1 4.15Å; W134-L277 HydrophobicContact CG-CB 4.19Å; W134-L277 HydrophobicContact CG-CD1 3.94Å; W134-N278 WeakPolarHBondContact CZ2-OD1 3.44Å; W134-N278 PolarHBondContact NE1-OD1 2.83Å; W134-N278 VanDerWaalsContact NE1-OD1 3.12Å; W134-L281 HydrophobicContact CG-CD1 4.22Å
135	L	71.2	Confident	58.1	Low	64 Å²	64	76.2 Å²	76.2	34%	0.335	40%	0.404	S	S	.	.			trans	-128.8	146	-174	-64.3	172.8	0	0	0	111.8	R133 T207 Q210	R133-L135 HydrophobicContact CB-CD1 4.5Å; R133-L135 HydrophobicContact CB-CG 4.18Å; L135-T207 WeakPolarHBondContact O-CB 3.18Å; L135-T207 WeakPolarHBondContact O-CG2 3.43Å; L135-Q210 HydrophobicContact CD1-CB 4.41Å
136	L	54.5	Low	55.4	Low	74 Å²	74	80.2 Å²	80.2	39%	0.387	42%	0.424	S	S	.	.			trans	-88.5	127.7	172.6	-161.1	80.4	0	0	0	110.9	N138 L281	L136-N138 PolarHBondContact O-N 3.03Å; L136-L281 HydrophobicContact CB-CB 4.43Å; L136-L281 HydrophobicContact CB-CD1 4.27Å; L136-L281 HydrophobicContact CD1-CB 4.18Å; L136-L281 HydrophobicContact CD1-CD1 4.38Å
137	N	45.5	Very low	52.5	Low	78 Å²	78	85.2 Å²	85.2	42%	0.417	45%	0.452	S	S	.	.			trans	-76.8	114.6	172.8	-101.8	11	0	0	0	111	Y206	N137-Y206 WeakPolarHBondContact CB-O 3.34Å; N137-Y206 WeakPolarHBondContact ND2-CB 3.47Å
138	N	35.3	Very low	49.8	Very low	101 Å²	101	93.6 Å²	93.6	54%	0.54	49%	0.491	S	S	.	.			trans	-114.1	95.6	163.1	-80.6	-50.1	0	0	0	109	L136 K283	L136-N138 PolarHBondContact O-N 3.03Å; N138-K283 WeakPolarHBondContact ND2-CE 3.48Å; N138-K283 WeakPolarHBondContact OD1-CE 3.35Å; N138-K283 PolarHBondContact OD1-NZ 3.18Å
139	C	27.3	Very low	47.3	Very low	122 Å²	122	99.4 Å²	99.4	82%	0.824	53%	0.525	S	S	*	.			trans	-133.2	88.1	166.9	-99.9	0	0	0	0	109.8
140	H	25.9	Very low	44.4	Very low	191 Å²	191	107.3 Å²	107.3	88%	0.884	57%	0.567	S	S	*	*			trans	-132.3	137.8	151.3	-91.1	-47.2	0	0	0	108.9
141	Q	26.6	Very low	42	Very low	174 Å²	174	113.6 Å²	113.6	81%	0.813	60%	0.6	S	S	*	*			trans	83.5	85	173.5	-59.1	-176.6	-9.9	0	0	117.5
142	N	27.1	Very low	39.7	Very low	165 Å²	165	120.4 Å²	120.4	88%	0.882	63%	0.631	S	S	*	*				-146	89.7	120.4	-92.4	-26.8	0	0	0	108.5	V144	N142-V144 PolarHBondContact O-N 3.43Å
143	N	25.4	Very low	37.1	Very low	160 Å²	160	126.4 Å²	126.4	86%	0.856	66%	0.659	S	S	*	*			trans	-67.3	105.8	167	-81	-17.1	0	0	0	108.5
144	V	25.8	Very low	34.5	Very low	129 Å²	129	130.1 Å²	130.1	78%	0.782	69%	0.686	S	S	*	*			trans	-102.8	91.3	151.2	178.4	0	0	0	0	105.8	N142 I146	N142-V144 PolarHBondContact O-N 3.43Å; V144-I146 PolarHBondContact O-N 2.95Å
145	S	25.6	Very low	31.8	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	72%	0.722	S	S	*	*			trans	-70	107.8	168.4	48.8	0	0	0	0	108.9
146	I	27	Very low	29.9	Very low	141 Å²	141	143.2 Å²	143.2	72%	0.723	75%	0.745	S	S	*	*			trans	-86.9	106.4	156.7	-62.9	173.5	0	0	0	105.2	V144 E148	V144-I146 PolarHBondContact O-N 2.95Å; I146-E148 HydrophobicContact CG2-CG 4.41Å; I146-E148 PolarHBondContact O-N 2.77Å
147	N	23.4	Very low	28.4	Very low	143 Å²	143	147.2 Å²	147.2	77%	0.765	77%	0.767	S	S	*	*			trans	-70.2	111	164.7	-83.9	-9.8	0	0	0	107.7
148	E	28	Very low	27.7	Very low	176 Å²	176	148 Å²	148	82%	0.822	78%	0.784	S	S	*	*			trans	-117.7	107.7	152.1	-82.9	-172.6	165.8	0	0	107.4	I146 L150	I146-E148 HydrophobicContact CG2-CG 4.41Å; I146-E148 PolarHBondContact O-N 2.77Å; E148-L150 PolarHBondContact O-N 3.43Å
149	D	28	Very low	27.4	Very low	162 Å²	162	148.6 Å²	148.6	87%	0.866	80%	0.797	S	S	*	*			trans	-60.9	122.9	171.1	-77.2	-45.1	0	0	0	110.1
150	L	25.7	Very low	27.2	Very low	166 Å²	166	152.4 Å²	152.4	87%	0.869	80%	0.799	S	S	*	*			trans	-91.6	119.7	163.2	-87.2	159.2	0	0	0	108.6	E148	E148-L150 PolarHBondContact O-N 3.43Å
151	N	27.6	Very low	27.5	Very low	143 Å²	143	153.2 Å²	153.2	77%	0.765	80%	0.8	S	S	*	*			trans	-146.1	130.1	151.1	-105.5	-27.8	0	0	0	113.1
152	H	32.8	Very low	27.5	Very low	144 Å²	144	151.5 Å²	151.5	67%	0.667	80%	0.797	S	S	*	*			trans	90.9	100.1	156	-62.9	-41.4	0	0	0	121.8
153	K	28.4	Very low	27.6	Very low	177 Å²	177	151.8 Å²	151.8	77%	0.77	80%	0.798	S	S	*	*				78.9	129.2	115.1	-76.3	-178.6	176.6	177.5	0	120.8
154	T	30.4	Very low	27.7	Very low	118 Å²	118	151.2 Å²	151.2	72%	0.724	80%	0.795	S	S	*	*			trans	86.4	104.9	140.2	40.6	0	0	0	0	121.5
155	Q	25.4	Very low	27.8	Very low	167 Å²	167	150.1 Å²	150.1	78%	0.78	79%	0.793	S	S	*	*				35.8	121.3	126.6	-70.2	176.6	-23	0	0	119.7
156	H	31.9	Very low	28	Very low	178 Å²	178	153.2 Å²	153.2	82%	0.824	80%	0.802	S	S	*	*				-177.4	147.3	105.2	-105.6	-83.7	0	0	0	113.2
157	N	24.1	Very low	28	Very low	158 Å²	158	153.8 Å²	153.8	85%	0.845	81%	0.805	S	S	*	*			trans	-66.9	150.3	-178.8	-68.8	-39.5	0	0	0	115
158	A	31	Very low	28.3	Very low	94 Å²	94	154.5 Å²	154.5	78%	0.777	81%	0.809	S	S	*	*			trans	-163.2	109.6	140.2	0	0	0	0	0	113.9
159	S	28.4	Very low	28.2	Very low	114 Å²	114	155.9 Å²	155.9	80%	0.797	81%	0.808	S	S	*	*			trans	35.5	119.6	141.8	64.9	0	0	0	0	122.7
160	F	23.8	Very low	28.1	Very low	201 Å²	201	155.9 Å²	155.9	88%	0.882	81%	0.808	S	S	*	*			trans	-73.1	139.7	151.1	-92.8	-99.8	0	0	0	111.8
161	K	30.4	Very low	28.2	Very low	208 Å²	208	153.2 Å²	153.2	90%	0.904	80%	0.803	S	S	*	*			trans	-134.7	122.8	152.1	-94	-173.3	177.3	179.5	0	109.4
162	N	26.6	Very low	28.3	Very low	138 Å²	138	156 Å²	156	74%	0.738	81%	0.812	S	S	*	*			trans	-73.9	147.2	168.8	-101.4	-12.1	0	0	0	110.7
163	N	30.8	Very low	28.1	Very low	171 Å²	171	154.3 Å²	154.3	91%	0.914	82%	0.816	S	S	*	*			trans	-138.3	130.7	149.9	-96.7	-12.4	0	0	0	109.5
164	N	26.4	Very low	28.1	Very low	148 Å²	148	152.1 Å²	152.1	79%	0.791	81%	0.811	S	S	*	*			trans	-88	166.3	178.5	-91.7	-20.4	0	0	0	112
165	S	27.7	Very low	27.8	Very low	106 Å²	106	154.7 Å²	154.7	74%	0.741	82%	0.819	S	S	*	*			trans	96.3	99.3	158.7	73	0	0	0	0	118.3
166	N	30.4	Very low	28	Very low	165 Å²	165	153 Å²	153	88%	0.882	82%	0.815	S	S	*	*				-164.1	112.5	114.3	-92.9	-23.1	0	0	0	109.5
167	I	26.9	Very low	27.6	Very low	153 Å²	153	147.5 Å²	147.5	79%	0.785	81%	0.806	S	S	*	*			trans	-82.7	121.6	177.5	-67.3	166.6	0	0	0	107.4	Y169	I167-Y169 HydrophobicContact CG2-CD2 4.34Å; I167-Y169 HydrophobicContact CG2-CE2 4.14Å
168	N	29.4	Very low	27.8	Very low	157 Å²	157	148.5 Å²	148.5	84%	0.84	81%	0.805	S	S	*	*			trans	-124.1	123.1	166.2	-141.1	7.8	0	0	0	107.2	D170	N168-D170 PolarHBondContact O-N 2.87Å
169	Y	25.9	Very low	27.5	Very low	206 Å²	206	152.6 Å²	152.6	81%	0.808	81%	0.81	S	S	*	*			trans	-74.4	104	178.5	-76.5	-90.9	0	0	0	108.9	I167	I167-Y169 HydrophobicContact CG2-CD2 4.34Å; I167-Y169 HydrophobicContact CG2-CE2 4.14Å
170	D	26.1	Very low	27.4	Very low	161 Å²	161	154.3 Å²	154.3	86%	0.861	81%	0.811	S	S	*	*			trans	-172.3	89.2	155.3	-93.7	-24.9	0	0	0	108.7	N168	N168-D170 PolarHBondContact O-N 2.87Å
171	S	28.3	Very low	27.6	Very low	110 Å²	110	150 Å²	150	77%	0.769	81%	0.806	S	S	*	*			trans	-159.1	79.3	175.1	-64.2	0	0	0	0	111.1
172	E	28.7	Very low	27.5	Very low	203 Å²	203	150.2 Å²	150.2	95%	0.949	81%	0.807	S	S	*	*			trans	-96.9	84	151.7	-82.4	-171.1	166.9	0	0	108.2
173	S	29.4	Very low	27.3	Very low	107 Å²	107	152.5 Å²	152.5	75%	0.748	81%	0.81	S	S	*	*			trans	-83.3	120.2	170.8	49	0	0	0	0	110.1	L175	S173-L175 PolarHBondContact O-N 2.99Å
174	I	28.2	Very low	27.2	Very low	132 Å²	132	153.6 Å²	153.6	68%	0.677	81%	0.81	S	S	*	*			trans	-59.6	129	167.1	-69.9	167.9	0	0	0	109.8	I176	I174-I176 PolarHBondContact O-N 3.47Å; I174-I176 VanDerWaalsContact O-N 3.14Å
175	L	24.3	Very low	27.3	Very low	171 Å²	171	151.9 Å²	151.9	90%	0.895	81%	0.809	S	S	*	*			trans	-51.9	105.5	167.8	-147.1	88.5	0	0	0	110.2	S173	S173-L175 PolarHBondContact O-N 2.99Å
176	I	28.5	Very low	27.1	Very low	132 Å²	132	154.1 Å²	154.1	68%	0.677	81%	0.813	S	S	*	*			trans	-116.7	116.8	153.9	-66.9	-179.9	0	0	0	105.4	I174 H178	I174-I176 PolarHBondContact O-N 3.47Å; I174-I176 VanDerWaalsContact O-N 3.14Å; I176-H178 PolarHBondContact O-N 3.18Å
177	G	25	Very low	27	Very low	63 Å²	63	154 Å²	154	65%	0.649	81%	0.812	S	S	*	*			trans	-57.8	123.5	-174.6	0	0	0	0	0	113.1
178	H	27.6	Very low	26.9	Very low	178 Å²	178	154.2 Å²	154.2	82%	0.824	82%	0.815	S	S	*	*			trans	-162.2	79	141.2	-119.5	-74.9	0	0	0	106.9	I176	I176-H178 PolarHBondContact O-N 3.18Å
179	M	24.1	Very low	27	Very low	180 Å²	180	154.4 Å²	154.4	89%	0.887	81%	0.814	S	S	*	*			trans	-86	107	162.9	-80.6	-130.3	118.3	0	0	107.6
180	N	26.3	Very low	27	Very low	151 Å²	151	153 Å²	153	81%	0.807	82%	0.815	S	S	*	*			trans	-143	87.5	156	-98.1	-12	0	0	0	107.5
181	S	27.7	Very low	26.9	Very low	111 Å²	111	152.8 Å²	152.8	78%	0.776	81%	0.813	S	S	*	*			trans	-170.3	103.8	139	65.5	0	0	0	0	110.2
182	F	28.2	Very low	26.8	Very low	212 Å²	212	157.7 Å²	157.7	93%	0.93	82%	0.82	S	S	*	*			trans	-95.8	125.8	145.5	-95.1	-83.4	0	0	0	107.5
183	K	24.4	Very low	26.6	Very low	185 Å²	185	153.7 Å²	153.7	80%	0.804	81%	0.81	S	S	*	*			trans	-105.3	156.1	161.2	-92.5	-173.6	176.6	-179.2	0	108.1
184	H	26.9	Very low	26.5	Very low	195 Å²	195	156.8 Å²	156.8	90%	0.903	81%	0.813	S	S	*	*			trans	98	122.3	-176.2	-62.5	-60.3	0	0	0	111.6
185	S	29.4	Very low	26.4	Very low	111 Å²	111	158.1 Å²	158.1	78%	0.776	82%	0.821	S	S	*	*			cis	-147.6	148.7	31.5	48.6	0	0	0	0	112.6
186	N	24.4	Very low	26.4	Very low	153 Å²	153	153.1 Å²	153.1	82%	0.818	81%	0.811	S	S	*	*			trans	-54.4	135.2	164.1	-75	-28.6	0	0	0	111.4
187	N	28.3	Very low	26.4	Very low	164 Å²	164	156.4 Å²	156.4	88%	0.877	82%	0.82	S	S	*	*			trans	-153.1	107.5	136.7	-94	-17.4	0	0	0	107.7
188	N	24.8	Very low	26.3	Very low	156 Å²	156	158.9 Å²	158.9	83%	0.834	83%	0.828	S	S	*	*			trans	-93.2	142.3	163.4	-89.5	-21.3	0	0	0	108
189	I	29.8	Very low	26.3	Very low	162 Å²	162	158 Å²	158	83%	0.831	82%	0.824	S	S	*	*			trans	150.7	129.7	156.4	-80.2	155.3	0	0	0	104.7
190	Q	27.3	Very low	26.3	Very low	175 Å²	175	155 Å²	155	82%	0.818	82%	0.821	S	S	*	*			cis	-172.9	150.1	-7.9	-176.6	170.8	14.7	0	0	104.9
191	L	22.5	Very low	26.3	Very low	158 Å²	158	157 Å²	157	83%	0.827	82%	0.817	S	S	*	*			trans	-53.4	140.5	177.5	-70.2	148.1	0	0	0	113.5
192	K	26.6	Very low	26.2	Very low	212 Å²	212	158.6 Å²	158.6	92%	0.922	82%	0.815	S	S	*	*			trans	-150.6	126.9	137.9	-119.8	179	-177.8	-176.7	0	111.2
193	V	25.7	Very low	26.1	Very low	119 Å²	119	154.6 Å²	154.6	72%	0.721	80%	0.804	S	S	*	*			trans	-79.6	140.1	174.4	174.6	0	0	0	0	108.4
194	E	27.1	Very low	26.3	Very low	173 Å²	173	153 Å²	153	81%	0.808	80%	0.804	S	S	*	*				175.2	123.1	124	-95.8	179.2	176.6	0	0	113.4
195	N	25.1	Very low	26.4	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	78%	0.783	S	S	*	*			trans	33.5	124.1	143.3	-68	-16.7	0	0	0	122.1
196	G	25	Very low	26.6	Very low	67 Å²	67	150 Å²	150	69%	0.691	78%	0.779	S	S	*	*			trans	112.1	92.4	136.9	0	0	0	0	0	114.9
197	K	28.3	Very low	27.7	Very low	201 Å²	201	143.9 Å²	143.9	87%	0.874	75%	0.748	S	S	*	*				170	125.7	128.1	-90.6	158.9	-174	-178.3	0	110.5	Q199	K197-Q199 PolarHBondContact O-N 3Å
198	S	23.8	Very low	28.7	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	73%	0.729	S	S	*	*			trans	-8.8	113	153.4	49.1	0	0	0	0	115.8
199	Q	26.7	Very low	30.3	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	70%	0.702	S	S	*	*			trans	-151.5	112.3	150.6	-108.4	171.9	15.9	0	0	109.3	K197 R201	K197-Q199 PolarHBondContact O-N 3Å; Q199-R201 PolarHBondContact O-N 2.71Å
200	S	24.3	Very low	32.2	Very low	118 Å²	118	132 Å²	132	83%	0.825	69%	0.689	S	S	*	*			trans	-52.8	116.9	157.9	42.9	0	0	0	0	109.1
201	R	26.2	Very low	34.6	Very low	191 Å²	191	128.5 Å²	128.5	72%	0.721	68%	0.675	S	S	*	*			trans	-134.6	91.6	160.3	-81.2	-170.2	177	172.4	-1.7	108.6	Q199 N203	Q199-R201 PolarHBondContact O-N 2.71Å; R201-N203 PolarHBondContact O-N 2.92Å
202	I	25.7	Very low	37.1	Very low	145 Å²	145	121.6 Å²	121.6	74%	0.744	64%	0.64	S	S	*	*			trans	-67.6	90.1	155.4	-61.6	170.2	0	0	0	105.2	N204	I202-N204 HydrophobicContact CG2-CB 4.26Å; I202-N204 PolarHBondContact O-N 3.42Å
203	N	25.7	Very low	39.7	Very low	129 Å²	129	113 Å²	113	69%	0.69	61%	0.606	S	S	*	*			trans	-84.4	75.1	166.4	-83.8	0.1	0	0	0	107.8	R201 S205	R201-N203 PolarHBondContact O-N 2.92Å; N203-S205 PolarHBondContact O-N 3.43Å; N203-S205 VanDerWaalsContact O-N 3.1Å
204	N	29.1	Very low	42.3	Very low	152 Å²	152	107.4 Å²	107.4	81%	0.813	57%	0.573	S	S	*	*			trans	-72.1	100.8	164.2	-82.5	-4.6	0	0	0	107.6	I202	I202-N204 HydrophobicContact CG2-CB 4.26Å; I202-N204 PolarHBondContact O-N 3.42Å
205	S	28.1	Very low	45.1	Very low	66 Å²	66	100.6 Å²	100.6	46%	0.462	54%	0.541	S	S	.	.			trans	-88.5	157.3	170.2	32.7	0	0	0	0	109.7	N203	N203-S205 PolarHBondContact O-N 3.43Å; N203-S205 VanDerWaalsContact O-N 3.1Å
206	Y	35.5	Very low	48	Very low	176 Å²	176	93 Å²	93	69%	0.69	50%	0.501	S	S	*	.			trans	91.7	112.5	160.4	-38.1	-70.8	0	0	0	118.9	N137	N137-Y206 WeakPolarHBondContact CB-O 3.34Å; N137-Y206 WeakPolarHBondContact ND2-CB 3.47Å
207	T	46.8	Very low	51	Low	25 Å²	25	92 Å²	92	15%	0.153	48%	0.478	C	S	.	.			trans	-138.1	115.4	151.2	51	0	0	0	0	109.3	L135 Q271	L135-T207 WeakPolarHBondContact O-CB 3.18Å; L135-T207 WeakPolarHBondContact O-CG2 3.43Å; T207-Q271 PolarHBondContact OG1-NE2 2.74Å; T207-Q271 PolarHBondContact OG1-OE1 2.72Å; T207-Q271 VanDerWaalsContact OG1-OE1 3.06Å
208	S	48	Very low	53.8	Low	71 Å²	71	82.7 Å²	82.7	50%	0.497	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-80.3	121.3	172.4	74.8	0	0	0	0	109.5
209	T	59.8	Low	56.7	Low	43 Å²	43	82.4 Å²	82.4	26%	0.264	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-86.8	118.5	172.4	43.6	0	0	0	0	109.2	R132 W134	R132-T209 HydrophobicContact CB-CG2 4.48Å; R132-T209 WeakPolarHBondContact CD-OG1 3.27Å; R132-T209 PolarHBondContact NH1-OG1 2.94Å; W134-T209 HydrophobicContact CE3-CG2 4.2Å; W134-T209 HydrophobicContact CZ3-CG2 4.4Å
210	Q	70.2	Confident	59.5	Low	117 Å²	117	77.3 Å²	77.3	55%	0.547	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.4	175.1	-173.9	177.8	6.5	0	0	109.2	R133 L135 T212	R133-Q210 PolarHBondContact N-O 2.84Å; L135-Q210 HydrophobicContact CD1-CB 4.41Å; Q210-T212 PolarHBondContact O-N 2.9Å
211	L	76.2	Confident	62.3	Low	102 Å²	102	74.1 Å²	74.1	53%	0.534	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	123.7	170.3	-167.4	74.4	0	0	0	109.2	T130 R132	T130-L211 HydrophobicContact CG2-CD1 4.25Å; T130-L211 HydrophobicContact CG2-CD2 4.4Å; T130-L211 HydrophobicContact CG2-CG 4.21Å; R132-L211 HydrophobicContact CG-CD1 4.37Å
212	T	75.5	Confident	65.2	Low	13 Å²	13	70.7 Å²	70.7	8%	0.08	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161.2	177.4	-161.8	0	0	0	0	111.4	I111 T130 G131 R133 Q210	I111-T212 HydrophobicContact CD1-CG2 3.97Å; I111-T212 HydrophobicContact CG1-CG2 4.15Å; T130-T212 CarbonylContact C-O 3.57Å; T130-T212 VanDerWaalsContact CA-O 3.26Å; T130-T212 WeakPolarHBondContact CA-O 3.36Å; T130-T212 WeakPolarHBondContact CG2-O 3.43Å; G131-T212 PolarHBondContact N-O 3.41Å; G131-T212 PolarHBondContact O-N 2.86Å; R133-T212 HydrophobicContact CG-CG2 3.4Å; R133-T212 PolarHBondContact NE-OG1 3Å; R133-T212 PolarHBondContact NH1-OG1 2.89Å; R133-T212 PolarHBondContact NH2-OG1 3.24Å; Q210-T212 PolarHBondContact O-N 2.9Å
213	S	80.7	Confident	68.2	Low	32 Å²	32	65.2 Å²	65.2	22%	0.224	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.6	165.5	-62.2	0	0	0	0	110.6	Y128 I129 T130 K655	Y128-S213 VanDerWaalsContact CZ-CB 3.47Å; Y128-S213 WeakPolarHBondContact OH-CB 3.37Å; Y128-S213 PolarHBondContact OH-OG 2.83Å; I129-S213 CarbonylContact O-C 3.54Å; I129-S213 WeakPolarHBondContact O-CA 3.38Å; T130-S213 WeakPolarHBondContact CG2-OG 3.49Å; T130-S213 PolarHBondContact OG1-OG 3.41Å; S213-K655 PolarHBondContact OG-NZ 3.16Å
214	L	80.6	Confident	71	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.1	175.5	-65.3	179.4	0	0	0	110.1	V65 E67 I91 I111 I129 L216	V65-L214 HydrophobicContact CG1-CD2 4.02Å; E67-L214 VanDerWaalsContact CD-CD2 3.42Å; E67-L214 HydrophobicContact CG-CD2 4Å; E67-L214 WeakPolarHBondContact OE2-CD2 3.48Å; I91-L214 HydrophobicContact CG1-CD1 4.14Å; I111-L214 HydrophobicContact CD1-CD1 3.38Å; I111-L214 HydrophobicContact CD1-CG 4Å; I129-L214 HydrophobicContact CD1-CB 4.19Å; I129-L214 HydrophobicContact CD1-CD1 4.43Å; I129-L214 HydrophobicContact CG1-CB 3.79Å; I129-L214 WeakPolarHBondContact CG1-O 3.39Å; I129-L214 PolarHBondContact N-O 2.97Å; I129-L214 PolarHBondContact O-N 2.98Å; L214-L216 HydrophobicContact CB-CD2 4.45Å
215	L	85.3	Confident	73.6	Confident	29 Å²	29	56.2 Å²	56.2	15%	0.152	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	119.1	165.5	-179.1	70.5	0	0	0	108.1	H126 Y128	H126-L215 HydrophobicContact CB-CD1 4.06Å; Y128-L215 HydrophobicContact CD2-CB 4.11Å; Y128-L215 HydrophobicContact CD2-CD1 3.99Å
216	L	86.6	Confident	76.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112	172.4	-51.2	-177.3	0	0	0	108.2	V63 V65 A76 I91 H126 I127 I129 L214 F218 F227	V63-L216 HydrophobicContact CG1-CB 4.45Å; V65-L216 HydrophobicContact CG2-CD2 3.58Å; A76-L216 HydrophobicContact CB-CD1 4.1Å; I91-L216 HydrophobicContact CD1-CD2 4.1Å; H126-L216 CarbonylContact C-O 3.55Å; H126-L216 WeakPolarHBondContact CA-O 3.14Å; I127-L216 HydrophobicContact CB-CB 4.42Å; I127-L216 PolarHBondContact N-O 3.44Å; I127-L216 WeakPolarHBondContact O-CB 3.42Å; I127-L216 PolarHBondContact O-N 2.93Å; I129-L216 HydrophobicContact CD1-CD1 4.07Å; I129-L216 HydrophobicContact CD1-CD2 4.43Å; I129-L216 HydrophobicContact CD1-CG 4.31Å; I129-L216 HydrophobicContact CG1-CG 4.44Å; I129-L216 HydrophobicContact CG2-CD1 4.26Å; L214-L216 HydrophobicContact CB-CD2 4.45Å; L216-F218 HydrophobicContact CB-CD2 4.46Å; L216-F218 HydrophobicContact CB-CE2 3.71Å; L216-F218 HydrophobicContact CB-CZ 4.4Å; L216-F218 HydrophobicContact CD1-CE2 4.5Å; L216-F227 HydrophobicContact CD1-CD1 4.48Å; L216-F227 HydrophobicContact CD1-CE1 3.68Å; L216-F227 HydrophobicContact CD1-CZ 4.43Å
217	E	88.1	Confident	79	Confident	47 Å²	47	48.5 Å²	48.5	22%	0.22	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.1	174.5	170.5	-178.8	-174.6	0	0	108.6	V63 Y64 D125 H126	V63-E217 CarbonylContact C-O 3.49Å; V63-E217 VanDerWaalsContact CA-O 3.25Å; V63-E217 WeakPolarHBondContact CA-O 3.42Å; Y64-E217 HydrophobicContact CD2-CG 4.26Å; Y64-E217 PolarHBondContact N-O 2.93Å; Y64-E217 PolarHBondContact O-N 2.87Å; D125-E217 CarbonylContact O-C 3.54Å; H126-E217 WeakPolarHBondContact NE2-CG 3.49Å; H126-E217 IonicContact NE2-OE1 2.93Å; H126-E217 IonicContact NE2-OE2 3.51Å
218	F	88.1	Confident	80.9	Confident	5 Å²	5	49.8 Å²	49.8	2%	0.022	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	161	-179.8	-68.8	-106.9	0	0	0	110	F61 V63 D125 I127 L216 N220 D223 T224 F227	F61-F218 HydrophobicContact CB-CD1 3.99Å; F61-F218 HydrophobicContact CB-CE1 3.61Å; F61-F218 HydrophobicContact CD2-CE1 4.29Å; F61-F218 HydrophobicContact CG-CD1 4.35Å; F61-F218 AromaticContact CG-CE1 3.96Å; F61-F218 HydrophobicContact CG-CE1 3.96Å; V63-F218 HydrophobicContact CG1-CD1 3.86Å; V63-F218 HydrophobicContact CG1-CD2 4.18Å; V63-F218 HydrophobicContact CG1-CE1 3.64Å; V63-F218 HydrophobicContact CG1-CE2 3.93Å; V63-F218 HydrophobicContact CG1-CG 4.1Å; V63-F218 HydrophobicContact CG1-CZ 3.63Å; D125-F218 PolarHBondContact O-N 3.47Å; I127-F218 HydrophobicContact CB-CE2 4.01Å; I127-F218 HydrophobicContact CD1-CD2 4.21Å; I127-F218 HydrophobicContact CD1-CE2 3.35Å; I127-F218 HydrophobicContact CD1-CZ 3.58Å; I127-F218 HydrophobicContact CG1-CD2 4.15Å; I127-F218 HydrophobicContact CG1-CE2 3.57Å; I127-F218 HydrophobicContact CG1-CZ 4.32Å; L216-F218 HydrophobicContact CB-CD2 4.46Å; L216-F218 HydrophobicContact CB-CE2 3.71Å; L216-F218 HydrophobicContact CB-CZ 4.4Å; L216-F218 HydrophobicContact CD1-CE2 4.5Å; F218-N220 VanDerWaalsContact C-N 3.26Å; F218-N220 PolarHBondContact O-N 3.07Å; F218-D223 HydrophobicContact CD1-CB 4.05Å; F218-T224 WeakPolarHBondContact CB-OG1 3.44Å; F218-T224 HydrophobicContact CD2-CG2 4.21Å; F218-T224 WeakPolarHBondContact CG-OG1 3.22Å; F218-F227 HydrophobicContact CE1-CB 3.69Å; F218-F227 HydrophobicContact CE1-CD1 4.15Å; F218-F227 AromaticContact CE1-CG 3.9Å; F218-F227 HydrophobicContact CE1-CG 3.9Å; F218-F227 HydrophobicContact CE2-CD1 4.39Å; F218-F227 HydrophobicContact CZ-CB 3.76Å; F218-F227 AromaticContact CZ-CD1 3.45Å; F218-F227 HydrophobicContact CZ-CD1 3.45Å; F218-F227 VanDerWaalsContact CZ-CD1 3.45Å; F218-F227 HydrophobicContact CZ-CE1 4.02Å; F218-F227 AromaticContact CZ-CG 3.68Å; F218-F227 HydrophobicContact CZ-CG 3.68Å
219	F	84.3	Confident	82.6	Confident	108 Å²	108	52 Å²	52	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	-75.2	-16.7	178	-69.5	-93.7	0	0	0	113.4	P62 Y64	P62-F219 HydrophobicContact CB-CD2 4.01Å; P62-F219 HydrophobicContact CB-CE2 3.65Å; P62-F219 HydrophobicContact CG-CD2 3.83Å; P62-F219 HydrophobicContact CG-CE2 4Å; P62-F219 WeakPolarHBondContact O-CD2 3.42Å; Y64-F219 HydrophobicContact CD2-CE1 4.48Å; Y64-F219 HydrophobicContact CD2-CE2 4.43Å; Y64-F219 HydrophobicContact CD2-CZ 4.18Å; Y64-F219 HydrophobicContact CE1-CZ 4.19Å; Y64-F219 HydrophobicContact CE2-CD1 4.03Å; Y64-F219 AromaticContact CE2-CE1 3.39Å; Y64-F219 HydrophobicContact CE2-CE1 3.39Å; Y64-F219 HydrophobicContact CE2-CE2 4.01Å; Y64-F219 AromaticContact CE2-CZ 3.37Å; Y64-F219 HydrophobicContact CE2-CZ 3.37Å; Y64-F219 AromaticContact CZ-CE1 3.51Å; Y64-F219 AromaticContact CZ-CZ 3.39Å; Y64-F219 WeakPolarHBondContact OH-CE1 3.42Å; Y64-F219 WeakPolarHBondContact OH-CZ 3.29Å
220	N	85.9	Confident	83.9	Confident	53 Å²	53	51.2 Å²	51.2	28%	0.283	26%	0.259	S	S	.	.	S	Bend	trans	-160	161.5	177.6	66.8	83.1	0	0	0	112.3	D125 F218 N222 D223 T224	D125-N220 WeakPolarHBondContact OD1-CA 3.41Å; F218-N220 VanDerWaalsContact C-N 3.26Å; F218-N220 PolarHBondContact O-N 3.07Å; N220-N222 VanDerWaalsContact C-N 3.33Å; N220-N222 PolarHBondContact O-N 3.49Å; N220-N222 WeakPolarHBondContact OD1-CB 3.37Å; N220-N222 PolarHBondContact OD1-N 3.33Å; N220-D223 VanDerWaalsContact ND2-CG 3.26Å; N220-D223 PolarHBondContact ND2-OD2 3.06Å; N220-D223 PolarHBondContact OD1-N 3.08Å; N220-T224 PolarHBondContact O-N 3.28Å; N220-T224 PolarHBondContact O-OG1 3.26Å
221	S	83	Confident	84.6	Confident	50 Å²	50	45.7 Å²	45.7	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-76.2	-22.7	-170.6	62.8	0	0	0	0	113.5	P124 D125 T224 L225	P124-S221 WeakPolarHBondContact O-CA 3.35Å; P124-S221 WeakPolarHBondContact O-CB 3.45Å; D125-S221 WeakPolarHBondContact OD1-CA 3.41Å; D125-S221 VanDerWaalsContact OD1-CB 3.31Å; D125-S221 WeakPolarHBondContact OD1-CB 3.31Å; D125-S221 PolarHBondContact OD1-N 3.05Å; S221-T224 WeakPolarHBondContact O-CB 3.37Å; S221-L225 WeakPolarHBondContact O-CB 3.4Å; S221-L225 PolarHBondContact O-N 3.08Å
222	N	85.5	Confident	84.7	Confident	119 Å²	119	43.1 Å²	43.1	64%	0.636	22%	0.22	S	C	*	.	H	α-helix	trans	-71.5	-46.9	177.8	-67.1	-25.5	0	0	0	110.5	N220 T224 L225 E226	N220-N222 VanDerWaalsContact C-N 3.33Å; N220-N222 PolarHBondContact O-N 3.49Å; N220-N222 WeakPolarHBondContact OD1-CB 3.37Å; N220-N222 PolarHBondContact OD1-N 3.33Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 PolarHBondContact O-N 2.95Å; N222-L225 PolarHBondContact O-N 3.11Å; N222-E226 WeakPolarHBondContact O-CB 3.45Å; N222-E226 PolarHBondContact O-N 3.3Å
223	D	88.6	Confident	85	Confident	30 Å²	30	46.9 Å²	46.9	16%	0.16	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-38.2	175.2	-70.7	-7.5	0	0	0	110.9	F61 F218 N220 E226 F227	F61-D223 HydrophobicContact CD1-CB 3.53Å; F61-D223 HydrophobicContact CE1-CB 3.59Å; F61-D223 HydrophobicContact CG-CB 4.46Å; F218-D223 HydrophobicContact CD1-CB 4.05Å; N220-D223 VanDerWaalsContact ND2-CG 3.26Å; N220-D223 PolarHBondContact ND2-OD2 3.06Å; N220-D223 PolarHBondContact OD1-N 3.08Å; D223-E226 PolarHBondContact O-N 3.21Å; D223-F227 WeakPolarHBondContact O-CB 3.45Å; D223-F227 PolarHBondContact O-N 3.16Å
224	T	85	Confident	85	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-52.2	173.2	-53.4	0	0	0	0	111.1	V121 P124 D125 I127 F218 N220 S221 N222 E226 F227 Y228	V121-T224 HydrophobicContact CG1-CG2 4.08Å; P124-T224 WeakPolarHBondContact O-CB 3.31Å; P124-T224 WeakPolarHBondContact O-CG2 3.37Å; P124-T224 PolarHBondContact O-OG1 2.67Å; D125-T224 VanDerWaalsContact CA-OG1 3.25Å; D125-T224 WeakPolarHBondContact CA-OG1 3.49Å; I127-T224 HydrophobicContact CD1-CG2 4.04Å; I127-T224 WeakPolarHBondContact CD1-O 3.41Å; I127-T224 HydrophobicContact CG1-CG2 3.5Å; F218-T224 WeakPolarHBondContact CB-OG1 3.44Å; F218-T224 HydrophobicContact CD2-CG2 4.21Å; F218-T224 WeakPolarHBondContact CG-OG1 3.22Å; N220-T224 PolarHBondContact O-N 3.28Å; N220-T224 PolarHBondContact O-OG1 3.26Å; S221-T224 WeakPolarHBondContact O-CB 3.37Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 PolarHBondContact O-N 2.95Å; T224-E226 PolarHBondContact O-N 3.4Å; T224-F227 PolarHBondContact O-N 3.34Å; T224-Y228 VanDerWaalsContact O-CB 3.23Å; T224-Y228 WeakPolarHBondContact O-CB 3.45Å; T224-Y228 PolarHBondContact O-N 3.35Å
225	L	83.9	Confident	84.7	Confident	92 Å²	92	49 Å²	49	48%	0.482	24%	0.241	S	C	.	.	H	α-helix	trans	-64.5	-40.9	-178.6	-173.8	64.8	0	0	0	111.8	S221 N222 Y228 Q229	S221-L225 WeakPolarHBondContact O-CB 3.4Å; S221-L225 PolarHBondContact O-N 3.08Å; N222-L225 PolarHBondContact O-N 3.11Å; L225-Y228 PolarHBondContact O-N 3.13Å; L225-Q229 WeakPolarHBondContact O-CB 3.38Å; L225-Q229 VanDerWaalsContact O-CG 3.25Å; L225-Q229 WeakPolarHBondContact O-CG 3.24Å; L225-Q229 PolarHBondContact O-N 3.3Å
226	E	87.6	Confident	84	Confident	80 Å²	80	51.5 Å²	51.5	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-50.3	177.6	-173.9	177.6	171.8	0	0	111.3	F61 N222 D223 T224 Y228 Q229 I230	F61-E226 HydrophobicContact CZ-CB 4.12Å; F61-E226 HydrophobicContact CZ-CG 3.98Å; N222-E226 WeakPolarHBondContact O-CB 3.45Å; N222-E226 PolarHBondContact O-N 3.3Å; D223-E226 PolarHBondContact O-N 3.21Å; T224-E226 PolarHBondContact O-N 3.4Å; E226-Y228 VanDerWaalsContact C-N 3.33Å; E226-Y228 PolarHBondContact O-N 3.31Å; E226-Q229 PolarHBondContact O-N 3.38Å; E226-I230 HydrophobicContact CG-CD1 4.16Å; E226-I230 WeakPolarHBondContact O-CG1 3.43Å; E226-I230 PolarHBondContact O-N 3.15Å; E226-I230 VanDerWaalsContact O-N 3.14Å
227	F	89.1	Confident	83.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.8	-40.7	178	-167.6	-103.4	0	0	0	112	V59 F61 A76 V78 I127 L216 F218 D223 T224 I230 I231	V59-F227 HydrophobicContact CG2-CD2 3.73Å; V59-F227 HydrophobicContact CG2-CE2 4.05Å; F61-F227 HydrophobicContact CD2-CB 3.88Å; F61-F227 AromaticContact CD2-CD2 3.41Å; F61-F227 HydrophobicContact CD2-CD2 3.41Å; F61-F227 VanDerWaalsContact CD2-CD2 3.41Å; F61-F227 HydrophobicContact CD2-CE2 4.24Å; F61-F227 HydrophobicContact CD2-CG 4.02Å; F61-F227 HydrophobicContact CE2-CB 3.89Å; F61-F227 AromaticContact CE2-CD2 3.85Å; F61-F227 HydrophobicContact CE2-CD2 3.85Å; F61-F227 HydrophobicContact CE2-CG 4.37Å; F61-F227 HydrophobicContact CG-CD2 4.5Å; A76-F227 HydrophobicContact CB-CE1 4.33Å; A76-F227 HydrophobicContact CB-CE2 4.37Å; A76-F227 HydrophobicContact CB-CZ 3.75Å; V78-F227 HydrophobicContact CG2-CD2 4.43Å; V78-F227 HydrophobicContact CG2-CE2 3.79Å; V78-F227 HydrophobicContact CG2-CZ 3.96Å; I127-F227 HydrophobicContact CD1-CB 4.06Å; I127-F227 HydrophobicContact CD1-CD1 3.66Å; I127-F227 HydrophobicContact CD1-CG 4.35Å; L216-F227 HydrophobicContact CD1-CD1 4.48Å; L216-F227 HydrophobicContact CD1-CE1 3.68Å; L216-F227 HydrophobicContact CD1-CZ 4.43Å; F218-F227 HydrophobicContact CE1-CB 3.69Å; F218-F227 HydrophobicContact CE1-CD1 4.15Å; F218-F227 AromaticContact CE1-CG 3.9Å; F218-F227 HydrophobicContact CE1-CG 3.9Å; F218-F227 HydrophobicContact CE2-CD1 4.39Å; F218-F227 HydrophobicContact CZ-CB 3.76Å; F218-F227 AromaticContact CZ-CD1 3.45Å; F218-F227 HydrophobicContact CZ-CD1 3.45Å; F218-F227 VanDerWaalsContact CZ-CD1 3.45Å; F218-F227 HydrophobicContact CZ-CE1 4.02Å; F218-F227 AromaticContact CZ-CG 3.68Å; F218-F227 HydrophobicContact CZ-CG 3.68Å; D223-F227 WeakPolarHBondContact O-CB 3.45Å; D223-F227 PolarHBondContact O-N 3.16Å; T224-F227 PolarHBondContact O-N 3.34Å; F227-I230 PolarHBondContact O-N 3.09Å; F227-I231 HydrophobicContact CD1-CD1 3.38Å; F227-I231 HydrophobicContact CD1-CG1 4.17Å; F227-I231 HydrophobicContact CE1-CD1 3.19Å; F227-I231 HydrophobicContact CE1-CG1 4.1Å; F227-I231 HydrophobicContact CG-CD1 4.37Å; F227-I231 HydrophobicContact CZ-CD1 3.98Å; F227-I231 WeakPolarHBondContact O-CG1 3.49Å; F227-I231 PolarHBondContact O-N 3.32Å
228	Y	86	Confident	81.8	Confident	52 Å²	52	55.7 Å²	55.7	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-48.7	176.1	178.1	-104.1	0	0	0	112.2	V121 I127 T224 L225 E226 I230 I231 I232	V121-Y228 HydrophobicContact CG2-CD1 3.94Å; V121-Y228 HydrophobicContact CG2-CD2 3.56Å; V121-Y228 HydrophobicContact CG2-CE1 4.36Å; V121-Y228 HydrophobicContact CG2-CE2 4.01Å; V121-Y228 HydrophobicContact CG2-CG 3.51Å; I127-Y228 HydrophobicContact CG2-CD2 4.47Å; T224-Y228 VanDerWaalsContact O-CB 3.23Å; T224-Y228 WeakPolarHBondContact O-CB 3.45Å; T224-Y228 PolarHBondContact O-N 3.35Å; L225-Y228 PolarHBondContact O-N 3.13Å; E226-Y228 VanDerWaalsContact C-N 3.33Å; E226-Y228 PolarHBondContact O-N 3.31Å; Y228-I230 VanDerWaalsContact C-N 3.27Å; Y228-I230 PolarHBondContact O-N 2.96Å; Y228-I231 PolarHBondContact O-N 3.47Å; Y228-I232 HydrophobicContact CD1-CG1 4.44Å; Y228-I232 HydrophobicContact CD2-CG1 4.39Å; Y228-I232 HydrophobicContact CE1-CG1 4.06Å; Y228-I232 HydrophobicContact CE2-CD1 4.15Å; Y228-I232 HydrophobicContact CE2-CG1 4Å; Y228-I232 WeakPolarHBondContact O-CG1 3.38Å; Y228-I232 PolarHBondContact O-N 3.11Å
229	Q	85	Confident	80.3	Confident	116 Å²	116	56.1 Å²	56.1	54%	0.542	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-41	178.1	-76.5	175.3	-1.1	0	0	112	L225 E226 Q233	L225-Q229 WeakPolarHBondContact O-CB 3.38Å; L225-Q229 VanDerWaalsContact O-CG 3.25Å; L225-Q229 WeakPolarHBondContact O-CG 3.24Å; L225-Q229 PolarHBondContact O-N 3.3Å; E226-Q229 PolarHBondContact O-N 3.38Å; Q229-Q233 WeakPolarHBondContact O-CB 3.43Å; Q229-Q233 PolarHBondContact O-N 3.06Å
230	I	85.7	Confident	78.4	Confident	28 Å²	28	59 Å²	59	14%	0.144	30%	0.298	C	S	.	.	H	α-helix	trans	-70	-43.2	-179.2	-68.5	170.7	0	0	0	111.6	N58 V59 V78 E226 F227 Y228 I232 Q233 Y234	N58-I230 HydrophobicContact CB-CG2 4.5Å; V59-I230 HydrophobicContact CB-CD1 4.13Å; V59-I230 HydrophobicContact CG1-CD1 3.25Å; V59-I230 HydrophobicContact CG2-CB 4.33Å; V59-I230 HydrophobicContact CG2-CD1 3.81Å; V59-I230 HydrophobicContact CG2-CG2 3.88Å; V78-I230 HydrophobicContact CG2-CG2 4.49Å; E226-I230 HydrophobicContact CG-CD1 4.16Å; E226-I230 WeakPolarHBondContact O-CG1 3.43Å; E226-I230 PolarHBondContact O-N 3.15Å; E226-I230 VanDerWaalsContact O-N 3.14Å; F227-I230 PolarHBondContact O-N 3.09Å; Y228-I230 VanDerWaalsContact C-N 3.27Å; Y228-I230 PolarHBondContact O-N 2.96Å; I230-I232 VanDerWaalsContact C-N 3.34Å; I230-I232 PolarHBondContact O-N 3.1Å; I230-Q233 PolarHBondContact O-N 2.73Å; I230-Y234 HydrophobicContact CG2-CD2 3.68Å; I230-Y234 HydrophobicContact CG2-CE2 3.79Å; I230-Y234 VanDerWaalsContact O-CD2 3.28Å; I230-Y234 WeakPolarHBondContact O-CD2 3.09Å; I230-Y234 PolarHBondContact O-N 2.86Å
231	I	85.3	Confident	76.1	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-49.1	175.1	-72.8	172.5	0	0	0	110.5	V78 I89 L113 F117 C119 I129 F227 Y228 Q233 Y234 F235	V78-I231 HydrophobicContact CG2-CD1 4.5Å; V78-I231 HydrophobicContact CG2-CG1 3.69Å; I89-I231 HydrophobicContact CD1-CD1 3.67Å; I89-I231 HydrophobicContact CD1-CG1 4.21Å; L113-I231 HydrophobicContact CD2-CG2 4.18Å; F117-I231 HydrophobicContact CD1-CG2 4.29Å; F117-I231 HydrophobicContact CE1-CG2 3.25Å; F117-I231 HydrophobicContact CZ-CG2 3.62Å; C119-I231 HydrophobicContact CB-CG2 4.28Å; C119-I231 VanDerWaalsContact SG-CG2 3.53Å; I129-I231 HydrophobicContact CG2-CD1 4.47Å; F227-I231 HydrophobicContact CD1-CD1 3.38Å; F227-I231 HydrophobicContact CD1-CG1 4.17Å; F227-I231 HydrophobicContact CE1-CD1 3.19Å; F227-I231 HydrophobicContact CE1-CG1 4.1Å; F227-I231 HydrophobicContact CG-CD1 4.37Å; F227-I231 HydrophobicContact CZ-CD1 3.98Å; F227-I231 WeakPolarHBondContact O-CG1 3.49Å; F227-I231 PolarHBondContact O-N 3.32Å; Y228-I231 PolarHBondContact O-N 3.47Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 2.79Å; I231-Y234 PolarHBondContact O-N 3.49Å; I231-Y234 VanDerWaalsContact O-N 3.15Å; I231-F235 WeakPolarHBondContact O-CB 3.42Å; I231-F235 PolarHBondContact O-N 3.11Å
232	I	78.7	Confident	73.8	Confident	49 Å²	49	65 Å²	65	25%	0.251	33%	0.333	S	S	.	.	H	α-helix	trans	-60.2	-43.2	-180	-66.9	-66.4	0	0	0	110.6	C119 Y228 I230 Y234 F235 I236	C119-I232 WeakPolarHBondContact SG-CD1 3.2Å; Y228-I232 HydrophobicContact CD1-CG1 4.44Å; Y228-I232 HydrophobicContact CD2-CG1 4.39Å; Y228-I232 HydrophobicContact CE1-CG1 4.06Å; Y228-I232 HydrophobicContact CE2-CD1 4.15Å; Y228-I232 HydrophobicContact CE2-CG1 4Å; Y228-I232 WeakPolarHBondContact O-CG1 3.38Å; Y228-I232 PolarHBondContact O-N 3.11Å; I230-I232 VanDerWaalsContact C-N 3.34Å; I230-I232 PolarHBondContact O-N 3.1Å; I232-Y234 VanDerWaalsContact C-N 3.29Å; I232-Y234 PolarHBondContact O-N 3Å; I232-F235 PolarHBondContact O-N 2.88Å; I232-I236 HydrophobicContact CG2-CD1 3.68Å; I232-I236 HydrophobicContact CG2-CG1 4.41Å; I232-I236 VanDerWaalsContact O-CG1 3.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.39Å; I232-I236 PolarHBondContact O-N 3.12Å
233	Q	82.3	Confident	71.2	Confident	91 Å²	91	64.8 Å²	64.8	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-40.4	177	-170.2	-172.8	17	0	0	112.2	Q229 I230 I231 K237	Q229-Q233 WeakPolarHBondContact O-CB 3.43Å; Q229-Q233 PolarHBondContact O-N 3.06Å; I230-Q233 PolarHBondContact O-N 2.73Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 2.79Å; Q233-K237 HydrophobicContact CG-CD 4.47Å; Q233-K237 VanDerWaalsContact NE2-NZ 3.14Å; Q233-K237 VanDerWaalsContact O-CG 3.3Å; Q233-K237 WeakPolarHBondContact O-CG 3.45Å; Q233-K237 PolarHBondContact O-N 3.04Å
234	Y	79.7	Confident	68.4	Low	26 Å²	26	69.1 Å²	69.1	10%	0.102	37%	0.369	C	S	.	.	H	α-helix	trans	-78.1	-36.8	-179.3	-82.7	-63.4	0	0	0	113.4	N58 V78 K80 S87 I230 I231 I232 K237 S238	N58-Y234 HydrophobicContact CB-CE2 3.98Å; N58-Y234 VanDerWaalsContact CG-CE2 3.46Å; N58-Y234 VanDerWaalsContact CG-OH 3.29Å; N58-Y234 PolarHBondContact OD1-OH 3.15Å; V78-Y234 HydrophobicContact CG1-CD2 3.92Å; V78-Y234 HydrophobicContact CG1-CG 4.37Å; K80-Y234 HydrophobicContact CB-CE1 4.47Å; K80-Y234 HydrophobicContact CD-CD1 4.34Å; K80-Y234 HydrophobicContact CD-CE1 3.65Å; K80-Y234 HydrophobicContact CG-CE1 4.39Å; S87-Y234 WeakPolarHBondContact OG-CD1 3.38Å; I230-Y234 HydrophobicContact CG2-CD2 3.68Å; I230-Y234 HydrophobicContact CG2-CE2 3.79Å; I230-Y234 VanDerWaalsContact O-CD2 3.28Å; I230-Y234 WeakPolarHBondContact O-CD2 3.09Å; I230-Y234 PolarHBondContact O-N 2.86Å; I231-Y234 PolarHBondContact O-N 3.49Å; I231-Y234 VanDerWaalsContact O-N 3.15Å; I232-Y234 VanDerWaalsContact C-N 3.29Å; I232-Y234 PolarHBondContact O-N 3Å; Y234-K237 PolarHBondContact O-N 2.78Å; Y234-S238 PolarHBondContact O-N 3.33Å; Y234-S238 PolarHBondContact O-OG 3.27Å
235	F	75.7	Confident	65.7	Low	54 Å²	54	74.7 Å²	74.7	24%	0.237	41%	0.405	C	S	.	.	H	α-helix	trans	-58.8	-47.4	172.1	171.8	-103.4	0	0	0	111.7	N114 F117 I231 I232 K237 S238 S239	N114-F235 WeakPolarHBondContact O-CE2 3.45Å; F117-F235 HydrophobicContact CB-CD2 4.01Å; F117-F235 HydrophobicContact CB-CE2 4.15Å; F117-F235 AromaticContact CD1-CD2 3.96Å; F117-F235 HydrophobicContact CD1-CD2 3.96Å; F117-F235 HydrophobicContact CD1-CG 4.41Å; F117-F235 HydrophobicContact CG-CD2 4.48Å; F117-F235 WeakPolarHBondContact O-CE2 3.29Å; I231-F235 WeakPolarHBondContact O-CB 3.42Å; I231-F235 PolarHBondContact O-N 3.11Å; I232-F235 PolarHBondContact O-N 2.88Å; F235-K237 VanDerWaalsContact C-N 3.29Å; F235-K237 PolarHBondContact O-N 2.77Å; F235-S238 WeakPolarHBondContact CA-OG 3.38Å; F235-S238 PolarHBondContact O-N 2.61Å; F235-S238 PolarHBondContact O-OG 3.5Å; F235-S239 PolarHBondContact O-N 3.13Å; F235-S239 PolarHBondContact O-OG 3.17Å
236	I	70.1	Confident	63	Low	81 Å²	81	78.5 Å²	78.5	42%	0.415	42%	0.42	S	S	.	.	H	α-helix	trans	-62.7	-37.2	177.1	-66.7	167.3	0	0	0	111.3	I232 S238 S239	I232-I236 HydrophobicContact CG2-CD1 3.68Å; I232-I236 HydrophobicContact CG2-CG1 4.41Å; I232-I236 VanDerWaalsContact O-CG1 3.26Å; I232-I236 WeakPolarHBondContact O-CG1 3.39Å; I232-I236 PolarHBondContact O-N 3.12Å; I236-S238 VanDerWaalsContact C-N 3.35Å; I236-S239 PolarHBondContact O-OG 3.26Å
237	K	67.4	Low	60.1	Low	106 Å²	106	83.4 Å²	83.4	46%	0.461	45%	0.448	S	S	.	.	H	α-helix	trans	-72.4	-24.8	178.6	-77.6	175.8	-179.1	174.4	0	113.6	Q233 Y234 F235	Q233-K237 HydrophobicContact CG-CD 4.47Å; Q233-K237 VanDerWaalsContact NE2-NZ 3.14Å; Q233-K237 VanDerWaalsContact O-CG 3.3Å; Q233-K237 WeakPolarHBondContact O-CG 3.45Å; Q233-K237 PolarHBondContact O-N 3.04Å; Y234-K237 PolarHBondContact O-N 2.78Å; F235-K237 VanDerWaalsContact C-N 3.29Å; F235-K237 PolarHBondContact O-N 2.77Å
238	S	60.9	Low	57.1	Low	28 Å²	28	89.7 Å²	89.7	20%	0.196	49%	0.487	C	S	.	.	H	α-helix	trans	-83.4	-27.4	177.3	44	0	0	0	0	113.4	L113 Y234 F235 I236 N240	L113-S238 PolarHBondContact O-OG 2.89Å; Y234-S238 PolarHBondContact O-N 3.33Å; Y234-S238 PolarHBondContact O-OG 3.27Å; F235-S238 WeakPolarHBondContact CA-OG 3.38Å; F235-S238 PolarHBondContact O-N 2.61Å; F235-S238 PolarHBondContact O-OG 3.5Å; I236-S238 VanDerWaalsContact C-N 3.35Å; S238-N240 PolarHBondContact O-N 2.87Å
239	S	55.7	Low	54.3	Low	15 Å²	15	95 Å²	95	11%	0.105	52%	0.518	C	S	.	.			trans	-76.9	97.7	171.5	53.8	0	0	0	0	109.6	F235 I236 S241	F235-S239 PolarHBondContact O-N 3.13Å; F235-S239 PolarHBondContact O-OG 3.17Å; I236-S239 PolarHBondContact O-OG 3.26Å; S239-S241 PolarHBondContact O-N 2.8Å
240	N	44.8	Very low	51.6	Low	167 Å²	167	97.1 Å²	97.1	89%	0.893	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	27.3	179.3	-91.1	-19.7	0	0	0	114.3	S238	S238-N240 PolarHBondContact O-N 2.87Å
241	S	39	Very low	48.7	Very low	94 Å²	94	104 Å²	104	66%	0.657	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	31.2	-168.7	62.3	0	0	0	0	114.3	S239	S239-S241 PolarHBondContact O-N 2.8Å
242	L	33.7	Very low	45.9	Very low	135 Å²	135	112.6 Å²	112.6	71%	0.707	60%	0.6	S	S	*	*			trans	-146.7	110.5	169.4	-90.2	141.3	0	0	0	110.4	V244	L242-V244 PolarHBondContact O-N 2.78Å
243	S	30.4	Very low	43.3	Very low	116 Å²	116	117 Å²	117	81%	0.811	62%	0.624	S	S	*	*			trans	-64.9	122.1	161.2	44.4	0	0	0	0	108.6
244	V	30.7	Very low	40.5	Very low	120 Å²	120	121.6 Å²	121.6	73%	0.727	65%	0.645	S	S	*	*			trans	-71.6	140.3	173.4	179.3	0	0	0	0	109	L242	L242-V244 PolarHBondContact O-N 2.78Å
245	P	28.5	Very low	37.9	Very low	118 Å²	118	127.7 Å²	127.7	77%	0.766	68%	0.678	S	S	*	*			trans	-114.2	142.3	141.7	4.2	16.4	0	0	0	111.3
246	E	27.1	Very low	35.4	Very low	173 Å²	173	132.3 Å²	132.3	81%	0.808	70%	0.7	S	S	*	*			trans	-44.9	146.7	-175.7	-72.6	164.9	119.5	0	0	116.1	T248	E246-T248 PolarHBondContact O-N 3.49Å
247	L	27.1	Very low	33.3	Very low	183 Å²	183	137.7 Å²	137.7	96%	0.958	72%	0.721	S	S	*	*			trans	-49.7	101.3	157.8	-79.1	152.4	0	0	0	110.7
248	T	24.2	Very low	31.4	Very low	132 Å²	132	142.7 Å²	142.7	81%	0.81	74%	0.738	S	S	*	*			trans	-135.6	128.6	158.6	19	0	0	0	0	111.4	E246	E246-T248 PolarHBondContact O-N 3.49Å
249	L	28.8	Very low	29.8	Very low	164 Å²	164	149.6 Å²	149.6	86%	0.859	77%	0.772	S	S	*	*			trans	-65.6	134.1	177.6	-156.6	84.4	0	0	0	109.8
250	I	26.8	Very low	28.3	Very low	159 Å²	159	155.7 Å²	155.7	82%	0.815	80%	0.804	S	S	*	*			trans	152.4	148.8	140.6	-74.1	155.5	0	0	0	112.3
251	Q	25.6	Very low	27.4	Very low	172 Å²	172	155.6 Å²	155.6	80%	0.804	80%	0.803	S	S	*	*			trans	-74.8	157.8	-162.2	-64.2	171.1	-33.9	0	0	117.7
252	K	26.6	Very low	26.7	Very low	181 Å²	181	157.7 Å²	157.7	79%	0.787	81%	0.807	S	S	*	*			trans	89.2	118.4	150.3	-80.7	178.7	-179.8	176.9	0	120.7
253	N	24.1	Very low	26.4	Very low	143 Å²	143	159.4 Å²	159.4	77%	0.765	82%	0.816	S	S	*	*			trans	76.6	104.6	139.4	-65.5	-5	0	0	0	120.7
254	Q	24	Very low	26.3	Very low	186 Å²	186	162.2 Å²	162.2	87%	0.869	82%	0.82	S	S	*	*			trans	52.8	111.6	148.8	-72.2	-176.2	-16.6	0	0	119.5
255	I	23.7	Very low	26.1	Very low	154 Å²	154	164.9 Å²	164.9	79%	0.79	83%	0.825	S	S	*	*			trans	-139.4	131.4	143.1	-57.9	-177.3	0	0	0	108.7	F257	I255-F257 HydrophobicContact CG2-CD2 3.73Å; I255-F257 HydrophobicContact CG2-CE2 3.4Å; I255-F257 HydrophobicContact CG2-CZ 4.43Å
256	H	24.7	Very low	26.2	Very low	152 Å²	152	164.8 Å²	164.8	70%	0.704	83%	0.827	S	S	*	*			trans	-100.3	137.1	175.4	-112.6	-85.7	0	0	0	109.1
257	F	24.7	Very low	26.6	Very low	194 Å²	194	161.3 Å²	161.3	85%	0.851	83%	0.828	S	S	*	*			trans	-150.9	141.6	152.3	-74.5	-67.8	0	0	0	112.7	I255	I255-F257 HydrophobicContact CG2-CD2 3.73Å; I255-F257 HydrophobicContact CG2-CE2 3.4Å; I255-F257 HydrophobicContact CG2-CZ 4.43Å
258	Y	27.7	Very low	26.9	Very low	210 Å²	210	159.9 Å²	159.9	82%	0.824	82%	0.821	S	S	*	*			trans	-80.3	151.2	179.7	-70.1	-99.4	0	0	0	111.2
259	L	26.9	Very low	28.1	Very low	174 Å²	174	157.8 Å²	157.8	91%	0.911	81%	0.805	S	S	*	*			trans	-133.7	138.1	163.9	-86.8	166.5	0	0	0	111.6
260	N	24.5	Very low	29.2	Very low	142 Å²	142	153.1 Å²	153.1	76%	0.759	78%	0.78	S	S	*	*			trans	-59.2	139.6	-161.8	-70.4	-30.3	0	0	0	115.8	D262	N260-D262 PolarHBondContact O-N 3.01Å
261	D	25.8	Very low	30.3	Very low	165 Å²	165	149.3 Å²	149.3	88%	0.882	76%	0.759	S	S	*	*	S	Bend	trans	-71.7	68	159.6	-72.9	-44.7	0	0	0	110.5
262	D	24.7	Very low	31.8	Very low	138 Å²	138	145.8 Å²	145.8	74%	0.738	75%	0.746	S	S	*	*			trans	-154.6	95.8	166.7	-86.7	-40.7	0	0	0	109.4	N260	N260-D262 PolarHBondContact O-N 3.01Å
263	L	28.3	Very low	33.7	Very low	171 Å²	171	141.7 Å²	141.7	90%	0.895	73%	0.729	S	S	*	*			trans	163.9	68.6	149.5	-86.9	158.7	0	0	0	110
264	I	28.5	Very low	36.5	Very low	175 Å²	175	135 Å²	135	90%	0.897	69%	0.694	S	S	*	*			trans	-100.7	84.1	160.8	-59.7	177.2	0	0	0	107.1
265	Q	26.4	Very low	39.1	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.822	67%	0.669	S	S	*	*			trans	-158	89.3	165.6	-109.2	175.9	7.8	0	0	109.1
266	S	30.6	Very low	42.1	Very low	117 Å²	117	123.4 Å²	123.4	82%	0.818	64%	0.637	S	S	*	*			trans	161.9	75.6	147.5	47.3	0	0	0	0	111.1	D268	S266-D268 VanDerWaalsContact C-N 3.32Å
267	A	34.7	Very low	45.1	Very low	100 Å²	100	116.1 Å²	116.1	83%	0.826	60%	0.603	S	S	*	*			trans	-91.2	6.2	168.4	0	0	0	0	0	113.1
268	D	32.6	Very low	47.9	Very low	152 Å²	152	109.9 Å²	109.9	81%	0.813	58%	0.578	S	S	*	*	S	Bend	trans	-102.9	69.5	177.7	-70.3	-31.2	0	0	0	110.2	S266	S266-D268 VanDerWaalsContact C-N 3.32Å
269	N	50.3	Low	50.5	Low	88 Å²	88	102.3 Å²	102.3	47%	0.471	55%	0.55	S	S	.	.			trans	-168.8	25.5	156.8	-114.8	-3.1	0	0	0	119	Q271 D272 Q273	N269-Q271 PolarHBondContact O-N 3.45Å; N269-D272 PolarHBondContact ND2-OD2 2.87Å; N269-D272 PolarHBondContact O-N 3.25Å; N269-D272 PolarHBondContact OD1-OD2 3.44Å; N269-D272 VanDerWaalsContact OD1-OD2 3.07Å; N269-Q273 WeakPolarHBondContact O-CG 3.17Å
270	L	52.1	Low	53.2	Low	66 Å²	66	94 Å²	94	35%	0.346	51%	0.507	S	S	.	.	H	α-helix	trans	-63.1	-24.9	173.8	-114	139.1	0	0	0	113.1
271	Q	50.1	Low	55.5	Low	79 Å²	79	88.5 Å²	88.5	37%	0.369	48%	0.477	S	S	.	.	H	α-helix	trans	-72.5	-43.6	-179	-167.2	68.4	35.3	0	0	112.5	T207 N269 Q273 N275	T207-Q271 PolarHBondContact OG1-NE2 2.74Å; T207-Q271 PolarHBondContact OG1-OE1 2.72Å; T207-Q271 VanDerWaalsContact OG1-OE1 3.06Å; N269-Q271 PolarHBondContact O-N 3.45Å; Q271-Q273 PolarHBondContact O-N 3.05Å; Q271-N275 VanDerWaalsContact O-CG 3.25Å; Q271-N275 PolarHBondContact O-ND2 2.68Å; Q271-N275 PolarHBondContact O-OD1 2.93Å
272	D	56.1	Low	57	Low	99 Å²	99	84.5 Å²	84.5	53%	0.529	46%	0.455	S	S	.	.	H	α-helix	trans	-68.6	-25.5	-179.9	-81.5	-9.6	0	0	0	112.7	N269	N269-D272 PolarHBondContact ND2-OD2 2.87Å; N269-D272 PolarHBondContact O-N 3.25Å; N269-D272 PolarHBondContact OD1-OD2 3.44Å; N269-D272 VanDerWaalsContact OD1-OD2 3.07Å
273	Q	68.2	Low	58	Low	94 Å²	94	83 Å²	83	44%	0.439	44%	0.442	S	S	.	.	H	α-helix	trans	-61.7	-59.6	-177.5	-74	178.2	-1.2	0	0	110.4	Q86 N269 Q271 N275	Q86-Q273 PolarHBondContact NE2-O 3.07Å; Q86-Q273 PolarHBondContact OE1-O 2.97Å; N269-Q273 WeakPolarHBondContact O-CG 3.17Å; Q271-Q273 PolarHBondContact O-N 3.05Å; Q273-N275 PolarHBondContact O-N 3.37Å
274	F	82.5	Confident	58.6	Low	4 Å²	4	80.6 Å²	80.6	2%	0.018	43%	0.43	C	S	.	.	S	Bend	trans	-99.1	18.1	-166.9	-70.1	-89.9	0	0	0	115.8	Q86 L112 N114 W134 W276 L277	Q86-F274 HydrophobicContact CB-CD1 4.22Å; Q86-F274 HydrophobicContact CB-CE1 3.75Å; Q86-F274 HydrophobicContact CB-CZ 4.28Å; Q86-F274 HydrophobicContact CG-CE1 4.12Å; Q86-F274 HydrophobicContact CG-CZ 4.21Å; Q86-F274 VanDerWaalsContact OE1-CD1 3.26Å; L112-F274 HydrophobicContact CB-CE1 4.33Å; L112-F274 HydrophobicContact CB-CZ 4.3Å; L112-F274 HydrophobicContact CD1-CD2 4.01Å; L112-F274 HydrophobicContact CD1-CE2 4.33Å; L112-F274 HydrophobicContact CD1-CG 4.2Å; L112-F274 HydrophobicContact CD2-CB 4.15Å; L112-F274 HydrophobicContact CD2-CD1 3.72Å; L112-F274 HydrophobicContact CD2-CD2 4.44Å; L112-F274 HydrophobicContact CD2-CE1 4.18Å; L112-F274 HydrophobicContact CD2-CG 3.85Å; N114-F274 HydrophobicContact CB-CE2 3.96Å; N114-F274 HydrophobicContact CB-CZ 3.97Å; W134-F274 HydrophobicContact CE3-CB 4.25Å; W134-F274 HydrophobicContact CH2-CB 3.97Å; W134-F274 HydrophobicContact CZ3-CB 3.81Å; F274-W276 AromaticContact CD1-NE1 3.92Å; F274-W276 PolarHBondContact O-N 2.85Å; F274-L277 HydrophobicContact CB-CD1 4.13Å; F274-L277 HydrophobicContact CD1-CD1 4.16Å; F274-L277 WeakPolarHBondContact O-CB 3.44Å; F274-L277 PolarHBondContact O-N 2.81Å
275	N	79.1	Confident	59.2	Low	63 Å²	63	74.2 Å²	74.2	34%	0.337	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-55.2	-24.9	-177.2	-82.6	-27.6	0	0	0	114.7	Q271 Q273 L277 N278	Q271-N275 VanDerWaalsContact O-CG 3.25Å; Q271-N275 PolarHBondContact O-ND2 2.68Å; Q271-N275 PolarHBondContact O-OD1 2.93Å; Q273-N275 PolarHBondContact O-N 3.37Å; N275-L277 PolarHBondContact O-N 2.86Å; N275-L277 VanDerWaalsContact O-N 3.15Å; N275-N278 WeakPolarHBondContact O-CB 3.3Å; N275-N278 PolarHBondContact O-N 2.83Å; N275-N278 VanDerWaalsContact O-N 3.14Å; N275-N278 PolarHBondContact O-ND2 3.35Å
276	W	85.8	Confident	59.9	Low	32 Å²	32	71.1 Å²	71.1	12%	0.121	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21.4	176.4	69.6	-90.8	0	0	0	113.4	D55 I79 N81 Q86 A88 F90 F274 N278 K279 Y280	D55-W276 HydrophobicContact CB-CZ3 4.38Å; D55-W276 VanDerWaalsContact OD1-CE3 3.27Å; D55-W276 WeakPolarHBondContact OD1-CZ3 3.25Å; I79-W276 HydrophobicContact CG2-CH2 4.22Å; I79-W276 HydrophobicContact CG2-CZ3 4.39Å; N81-W276 HydrophobicContact CB-CD2 3.58Å; N81-W276 HydrophobicContact CB-CE3 3.9Å; N81-W276 HydrophobicContact CB-CG 3.97Å; N81-W276 HydrophobicContact CB-CH2 4.22Å; N81-W276 HydrophobicContact CB-CZ2 3.94Å; N81-W276 HydrophobicContact CB-CZ3 4.2Å; Q86-W276 VanDerWaalsContact OE1-NE1 3.13Å; A88-W276 HydrophobicContact CB-CZ2 4.39Å; F90-W276 HydrophobicContact CE2-CH2 4.03Å; F90-W276 HydrophobicContact CE2-CZ3 4.44Å; F90-W276 HydrophobicContact CZ-CH2 4.22Å; F90-W276 HydrophobicContact CZ-CZ3 4.17Å; F274-W276 AromaticContact CD1-NE1 3.92Å; F274-W276 PolarHBondContact O-N 2.85Å; W276-N278 VanDerWaalsContact C-N 3.3Å; W276-N278 PolarHBondContact O-N 3.01Å; W276-K279 WeakPolarHBondContact O-CE 3.33Å; W276-Y280 HydrophobicContact CE3-CE2 4.12Å; W276-Y280 AromaticContact CZ3-CE2 3.91Å; W276-Y280 HydrophobicContact CZ3-CE2 3.91Å
277	L	87.9	Confident	59.8	Low	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-73.6	-18.4	178.2	-70.4	176	0	0	0	113.6	A88 F90 L110 L112 W134 F274 N275 K279 Y280	A88-L277 HydrophobicContact CB-CD1 4.31Å; A88-L277 HydrophobicContact CB-CD2 4.3Å; F90-L277 HydrophobicContact CE2-CD2 3.73Å; F90-L277 HydrophobicContact CZ-CD2 3.57Å; L110-L277 HydrophobicContact CD1-CD2 4.45Å; L110-L277 HydrophobicContact CD2-CD2 4.41Å; L112-L277 HydrophobicContact CD2-CD1 3.37Å; W134-L277 HydrophobicContact CB-CD1 4.24Å; W134-L277 HydrophobicContact CD2-CB 4.42Å; W134-L277 HydrophobicContact CD2-CD1 4.15Å; W134-L277 HydrophobicContact CG-CB 4.19Å; W134-L277 HydrophobicContact CG-CD1 3.94Å; F274-L277 HydrophobicContact CB-CD1 4.13Å; F274-L277 HydrophobicContact CD1-CD1 4.16Å; F274-L277 WeakPolarHBondContact O-CB 3.44Å; F274-L277 PolarHBondContact O-N 2.81Å; N275-L277 PolarHBondContact O-N 2.86Å; N275-L277 VanDerWaalsContact O-N 3.15Å; L277-K279 PolarHBondContact O-N 3.47Å; L277-K279 VanDerWaalsContact O-N 3.17Å; L277-Y280 HydrophobicContact CD2-CD2 4.36Å; L277-Y280 PolarHBondContact O-N 2.8Å
278	N	82.3	Confident	59.7	Low	62 Å²	62	73.6 Å²	73.6	33%	0.332	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-60	-31.2	-173	-70.8	-25.3	0	0	0	113.3	W134 N275 W276 Y280 L281	W134-N278 WeakPolarHBondContact CZ2-OD1 3.44Å; W134-N278 PolarHBondContact NE1-OD1 2.83Å; W134-N278 VanDerWaalsContact NE1-OD1 3.12Å; N275-N278 WeakPolarHBondContact O-CB 3.3Å; N275-N278 PolarHBondContact O-N 2.83Å; N275-N278 VanDerWaalsContact O-N 3.14Å; N275-N278 PolarHBondContact O-ND2 3.35Å; W276-N278 VanDerWaalsContact C-N 3.3Å; W276-N278 PolarHBondContact O-N 3.01Å; N278-Y280 PolarHBondContact O-N 2.89Å; N278-Y280 VanDerWaalsContact O-N 3.09Å; N278-L281 PolarHBondContact O-N 3.26Å
279	K	83.1	Confident	59.5	Low	51 Å²	51	71 Å²	71	22%	0.222	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-63.6	-13.2	177	68.1	-171.4	173.3	-176.6	0	114.6	A22 D55 W276 L277	A22-K279 HydrophobicContact CB-CB 4.41Å; A22-K279 HydrophobicContact CB-CD 4.42Å; D55-K279 WeakPolarHBondContact OD2-CE 3.32Å; D55-K279 IonicContact OD2-NZ 3.98Å; D55-K279 PolarHBondContact OD2-NZ 3.27Å; W276-K279 WeakPolarHBondContact O-CE 3.33Å; L277-K279 PolarHBondContact O-N 3.47Å; L277-K279 VanDerWaalsContact O-N 3.17Å
280	Y	84.1	Confident	58.4	Low	1 Å²	1	70.4 Å²	70.4	0%	0.004	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-98.1	-4.5	176.4	-57.3	-69.6	0	0	0	113.6	Y14 L15 H18 D55 F90 L107 W276 L277 N278	Y14-Y280 HydrophobicContact CE1-CD1 4.14Å; Y14-Y280 HydrophobicContact CE1-CE1 4.34Å; L15-Y280 HydrophobicContact CD2-CE1 3.79Å; L15-Y280 VanDerWaalsContact CD2-OH 3.29Å; L15-Y280 WeakPolarHBondContact CD2-OH 3.46Å; H18-Y280 HydrophobicContact CB-CD1 3.91Å; H18-Y280 HydrophobicContact CB-CE1 3.57Å; D55-Y280 PolarHBondContact OD2-OH 2.85Å; F90-Y280 HydrophobicContact CE1-CD1 4.24Å; F90-Y280 AromaticContact CE1-CD2 3.86Å; F90-Y280 HydrophobicContact CE1-CD2 3.86Å; F90-Y280 HydrophobicContact CE1-CE1 4.42Å; F90-Y280 HydrophobicContact CE1-CE2 4.07Å; F90-Y280 AromaticContact CE1-CG 3.95Å; F90-Y280 HydrophobicContact CE1-CG 3.95Å; F90-Y280 AromaticContact CZ-CD2 3.81Å; F90-Y280 HydrophobicContact CZ-CD2 3.81Å; F90-Y280 AromaticContact CZ-CE2 3.86Å; F90-Y280 HydrophobicContact CZ-CE2 3.86Å; F90-Y280 HydrophobicContact CZ-CG 4.37Å; L107-Y280 HydrophobicContact CD2-CG 4.5Å; W276-Y280 HydrophobicContact CE3-CE2 4.12Å; W276-Y280 AromaticContact CZ3-CE2 3.91Å; W276-Y280 HydrophobicContact CZ3-CE2 3.91Å; L277-Y280 HydrophobicContact CD2-CD2 4.36Å; L277-Y280 PolarHBondContact O-N 2.8Å; N278-Y280 PolarHBondContact O-N 2.89Å; N278-Y280 VanDerWaalsContact O-N 3.09Å
281	L	72.6	Confident	57.2	Low	25 Å²	25	73.4 Å²	73.4	13%	0.131	39%	0.39	C	S	.	.	S	Bend	trans	-102.4	0	-177.6	-71.5	-176.3	0	0	0	114.1	L110 W134 L136 N278	L110-L281 HydrophobicContact CD1-CD2 4.08Å; L110-L281 HydrophobicContact CD1-CG 4.4Å; W134-L281 HydrophobicContact CG-CD1 4.22Å; L136-L281 HydrophobicContact CB-CB 4.43Å; L136-L281 HydrophobicContact CB-CD1 4.27Å; L136-L281 HydrophobicContact CD1-CB 4.18Å; L136-L281 HydrophobicContact CD1-CD1 4.38Å; N278-L281 PolarHBondContact O-N 3.26Å
282	D	56.8	Low	56.1	Low	81 Å²	81	77.9 Å²	77.9	43%	0.433	42%	0.416	S	S	.	.			trans	-74.8	139.5	-170.3	-130.1	-11.9	0	0	0	113.2	D284 S285	D282-D284 PolarHBondContact O-N 3.11Å; D282-S285 PolarHBondContact O-N 2.87Å; D282-S285 PolarHBondContact O-OG 2.8Å
283	K	45.7	Very low	54.7	Low	107 Å²	107	81.7 Å²	81.7	47%	0.465	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.2	-164.7	-79.1	-178	178.3	173.3	0	115.3	N138 S285 F286 E287	N138-K283 WeakPolarHBondContact ND2-CE 3.48Å; N138-K283 WeakPolarHBondContact OD1-CE 3.35Å; N138-K283 PolarHBondContact OD1-NZ 3.18Å; K283-S285 PolarHBondContact O-N 2.93Å; K283-F286 PolarHBondContact O-N 2.91Å; K283-F286 VanDerWaalsContact O-N 3.1Å; K283-E287 PolarHBondContact O-N 3.21Å; K283-E287 VanDerWaalsContact O-N 3.17Å
284	D	42.1	Very low	52.7	Low	121 Å²	121	84.9 Å²	84.9	65%	0.647	45%	0.451	S	S	*	.	H	α-helix	trans	-70	-18	179.3	-64.7	-25.2	0	0	0	113.3	D282 F286	D282-D284 PolarHBondContact O-N 3.11Å; D284-F286 VanDerWaalsContact C-N 3.31Å
285	S	40.6	Very low	49.9	Very low	41 Å²	41	89.9 Å²	89.9	29%	0.287	49%	0.486	S	S	.	.	H	α-helix	trans	-80.5	-11.3	174	61.7	0	0	0	0	113.7	D282 K283	D282-S285 PolarHBondContact O-N 2.87Å; D282-S285 PolarHBondContact O-OG 2.8Å; K283-S285 PolarHBondContact O-N 2.93Å
286	F	40.4	Very low	47.5	Very low	110 Å²	110	98.8 Å²	98.8	48%	0.482	52%	0.516	S	S	.	.	H	α-helix	trans	-105.2	-25	173.6	-83.2	-88.1	0	0	0	113.5	K283 D284	K283-F286 PolarHBondContact O-N 2.91Å; K283-F286 VanDerWaalsContact O-N 3.1Å; D284-F286 VanDerWaalsContact C-N 3.31Å
287	E	29.3	Very low	44.6	Very low	102 Å²	102	101.9 Å²	101.9	48%	0.477	54%	0.543	S	S	.	.	H	α-helix	trans	-88.5	-8.4	-179.8	-82.8	-174.2	172	0	0	115.5	K283 A289 S290	K283-E287 PolarHBondContact O-N 3.21Å; K283-E287 VanDerWaalsContact O-N 3.17Å; E287-A289 PolarHBondContact O-N 3.41Å; E287-S290 PolarHBondContact O-N 3.19Å; E287-S290 PolarHBondContact O-OG 3.41Å
288	L	31.7	Very low	41.6	Very low	167 Å²	167	109 Å²	109	87%	0.874	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-0.8	172.2	-137.1	84.4	0	0	0	113.8
289	A	29.7	Very low	39	Very low	98 Å²	98	113.9 Å²	113.9	81%	0.81	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	2.2	177.2	0	0	0	0	0	114.1	E287	E287-A289 PolarHBondContact O-N 3.41Å
290	S	27.4	Very low	36.3	Very low	75 Å²	75	117 Å²	117	52%	0.524	63%	0.629	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129	-0.3	-176.9	50.2	0	0	0	0	115.4	E287	E287-S290 PolarHBondContact O-N 3.19Å; E287-S290 PolarHBondContact O-OG 3.41Å
291	N	25.2	Very low	33.7	Very low	129 Å²	129	122 Å²	122	69%	0.69	66%	0.664	S	S	*	*	S	Bend	trans	-113.7	61.1	175	-74.6	-29.5	0	0	0	111.7
292	L	27.7	Very low	31.6	Very low	174 Å²	174	128 Å²	128	91%	0.911	70%	0.696	S	S	*	*	S	Bend	trans	-153.9	49.2	164.7	-97.4	170.6	0	0	0	109.3
293	Q	27	Very low	30.3	Very low	179 Å²	179	129.5 Å²	129.5	84%	0.836	71%	0.713	S	S	*	*	S	Bend	trans	-158.5	73.6	167.4	-112.8	170.9	0.4	0	0	108.1
294	D	24.9	Very low	29.6	Very low	161 Å²	161	129.3 Å²	129.3	86%	0.861	73%	0.725	S	S	*	*	S	Bend	trans	-178.2	146.2	140.1	-89.5	-26.2	0	0	0	108.7
295	S	25.6	Very low	29.1	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	73%	0.73	S	S	*	*			trans	80.7	74.3	178.2	57.8	0	0	0	0	119
296	Y	27	Very low	28.8	Very low	249 Å²	249	133.5 Å²	133.5	98%	0.976	75%	0.751	S	S	*	*			trans	-116.5	107.3	130.8	-86.1	-77.1	0	0	0	109.1
297	S	25.6	Very low	28.3	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	76%	0.761	S	S	*	*			trans	-119.4	128.9	164.4	67.2	0	0	0	0	109
298	L	25	Very low	28.5	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	77%	0.771	S	S	*	*			trans	89.5	111.8	152.6	-57.2	167.7	0	0	0	119
299	L	28.4	Very low	28.5	Very low	164 Å²	164	134.8 Å²	134.8	86%	0.859	76%	0.762	S	S	*	*				-177.8	99.9	114.1	-87.2	166.6	0	0	0	106.7
300	V	25.4	Very low	28.6	Very low	117 Å²	117	137.9 Å²	137.9	71%	0.709	76%	0.758	S	S	*	*				70.2	133.2	86.1	178.3	0	0	0	0	114.9
301	S	30.4	Very low	28.7	Very low	106 Å²	106	143.6 Å²	143.6	74%	0.741	77%	0.769	S	S	*	*			trans	100.5	131.3	169.1	70.9	0	0	0	0	116.1
302	D	28.1	Very low	28.8	Very low	150 Å²	150	144.7 Å²	144.7	80%	0.802	78%	0.775	S	S	*	*			cis	-170.5	163.9	-18.6	-122.5	-26.6	0	0	0	109.4
303	S	29.7	Very low	28.9	Very low	113 Å²	113	146.1 Å²	146.1	79%	0.79	77%	0.77	S	S	*	*			trans	79	131.7	166.2	76.9	0	0	0	0	118.1
304	S	31.1	Very low	29.1	Very low	103 Å²	103	145 Å²	145	72%	0.72	77%	0.769	S	S	*	*			cis	-161.1	134.3	16.7	44.4	0	0	0	0	111.6
305	S	31.8	Very low	29.3	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	77%	0.768	S	S	*	*				71.3	135	122	76.4	0	0	0	0	117.2
306	I	33	Very low	30	Very low	143 Å²	143	146.3 Å²	146.3	73%	0.733	76%	0.763	S	S	*	*			cis	-165.9	139.6	46.5	-77.7	178.7	0	0	0	110.9
307	N	31.5	Very low	30	Very low	129 Å²	129	140.7 Å²	140.7	69%	0.69	76%	0.755	S	S	*	*			trans	42	148.8	147.3	-70.9	1.5	0	0	0	123.2
308	E	32.1	Very low	30.4	Very low	147 Å²	147	141.1 Å²	141.1	69%	0.687	76%	0.758	S	S	*	*			cis	-172.2	140.5	5.8	-115.2	172.2	-171.7	0	0	109.7
309	N	32.4	Very low	30.7	Very low	130 Å²	130	140.5 Å²	140.5	70%	0.695	76%	0.761	S	S	*	*				51.4	143.1	129.5	-69.3	-16.3	0	0	0	121.9
310	K	30.7	Very low	30.9	Very low	164 Å²	164	138.1 Å²	138.1	71%	0.713	76%	0.757	S	S	*	*			cis	-176.5	143	15.5	-110.1	-172.6	168.6	169.8	0	111.7
311	Y	29.8	Very low	31.2	Very low	194 Å²	194	138.6 Å²	138.6	76%	0.761	76%	0.755	S	S	*	*			trans	47.7	131.1	142.6	-60.3	-67.4	0	0	0	127
312	D	26.9	Very low	31.3	Very low	153 Å²	153	141.9 Å²	141.9	82%	0.818	76%	0.756	S	S	*	*			trans	-68.4	150.9	150.9	-82.9	-44.2	0	0	0	113.6
313	Y	31.5	Very low	31.4	Very low	204 Å²	204	140.2 Å²	140.2	80%	0.8	75%	0.752	S	S	*	*			trans	-165.2	127.4	143.3	-94.2	-67.7	0	0	0	112.9
314	L	30.3	Very low	31.4	Very low	156 Å²	156	141.7 Å²	141.7	82%	0.817	75%	0.75	S	S	*	*			trans	59.1	127.2	138.7	-66.4	159.5	0	0	0	123.4
315	K	28.2	Very low	31.4	Very low	195 Å²	195	142.2 Å²	142.2	85%	0.848	75%	0.754	S	S	*	*			trans	-100.1	-176.1	151.3	-108.8	-178.6	-177.2	178.3	0	108.5
316	P	40.5	Very low	31.1	Very low	101 Å²	101	143 Å²	143	66%	0.656	76%	0.758	S	S	*	*			cis	-137.2	180	-15.8	26.6	-1.1	0	0	0	113.1
317	T	28.4	Very low	31.5	Very low	131 Å²	131	141.3 Å²	141.3	80%	0.804	76%	0.756	S	S	*	*				167.9	141	97.6	35.3	0	0	0	0	112.5
318	S	32.2	Very low	31.4	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	76%	0.759	S	S	*	*			trans	177.8	93.7	135.6	63	0	0	0	0	109.1
319	T	32.1	Very low	31.3	Very low	137 Å²	137	139.9 Å²	139.9	84%	0.84	76%	0.761	S	S	*	*				67.1	107.8	101.2	52.1	0	0	0	0	116.5
320	C	31.9	Very low	31.2	Very low	115 Å²	115	140.2 Å²	140.2	78%	0.777	76%	0.763	S	S	*	*				-168.3	113.3	110.3	-137.1	0	0	0	0	113.2
321	N	33.6	Very low	31.1	Very low	126 Å²	126	138.7 Å²	138.7	67%	0.674	76%	0.762	S	S	*	*			trans	49.1	110.6	139.2	-60.7	-22.7	0	0	0	121.6
322	K	31.9	Very low	31.3	Very low	176 Å²	176	135.3 Å²	135.3	77%	0.765	77%	0.767	S	S	*	*				102.5	102.6	85.7	-85.2	-176.3	-176.3	-178	0	111.5
323	T	29.4	Very low	31.3	Very low	115 Å²	115	137.2 Å²	137.2	71%	0.706	77%	0.768	S	S	*	*				57.2	132.3	98.6	62	0	0	0	0	114
324	N	30.7	Very low	31.3	Very low	143 Å²	143	135.5 Å²	135.5	77%	0.765	77%	0.772	S	S	*	*			cis	-166.9	158.8	15.7	-97.1	-16.2	0	0	0	110.5
325	S	31.2	Very low	31.2	Very low	114 Å²	114	132.5 Å²	132.5	80%	0.797	76%	0.764	S	S	*	*			trans	62.2	119.6	142.9	61.1	0	0	0	0	123.6
326	C	25.5	Very low	31.2	Very low	123 Å²	123	127.7 Å²	127.7	83%	0.831	76%	0.761	S	S	*	*			trans	-68.1	-179.4	149	-79.5	0	0	0	0	112.7
327	P	40.2	Very low	30.7	Very low	108 Å²	108	131.8 Å²	131.8	70%	0.701	77%	0.771	S	S	*	*			cis	-140.8	169.9	-10.8	23.2	1.8	0	0	0	117.9
328	S	30.5	Very low	30.5	Very low	105 Å²	105	132.3 Å²	132.3	73%	0.734	77%	0.769	S	S	*	*			trans	68.5	146.7	144.4	70.2	0	0	0	0	119.9
329	L	29.4	Very low	30.4	Very low	142 Å²	142	136.2 Å²	136.2	74%	0.743	77%	0.773	S	S	*	*			cis	-166	176.6	12.6	-128.1	151.1	0	0	0	108.7
330	D	30.4	Very low	30.1	Very low	136 Å²	136	139.6 Å²	139.6	73%	0.727	77%	0.772	S	S	*	*			trans	91	143.8	162.3	-66.8	-27.2	0	0	0	119.4
331	N	29.4	Very low	30	Very low	132 Å²	132	140.2 Å²	140.2	71%	0.706	77%	0.772	S	S	*	*			cis	173.6	130.2	-32.3	-117.6	-37.2	0	0	0	103.8
332	S	32.6	Very low	29.6	Very low	123 Å²	123	143.9 Å²	143.9	86%	0.86	78%	0.782	S	S	*	*			trans	-156	136.8	148.6	57.6	0	0	0	0	112.2
333	K	27.2	Very low	29.5	Very low	194 Å²	194	141.8 Å²	141.8	84%	0.843	78%	0.784	S	S	*	*			trans	-86.9	151.2	-177.3	-69.5	168.2	173.3	170.7	0	111.4
334	L	31.2	Very low	29.4	Very low	167 Å²	167	144.7 Å²	144.7	87%	0.874	79%	0.787	S	S	*	*			trans	161.8	153.2	137.6	-106.4	95	0	0	0	105.1
335	S	29.6	Very low	29.1	Very low	94 Å²	94	149.3 Å²	149.3	66%	0.657	79%	0.793	S	S	*	*			cis	-167.3	152.2	-22.7	48.9	0	0	0	0	104.5
336	A	26.6	Very low	29	Very low	94 Å²	94	151.7 Å²	151.7	78%	0.777	79%	0.792	S	S	*	*			trans	38.9	106.5	157.1	0	0	0	0	0	119.6
337	Q	30.7	Very low	29	Very low	186 Å²	186	152 Å²	152	87%	0.869	79%	0.79	S	S	*	*				-156.3	114.2	127.9	-112.9	175.4	18.1	0	0	112	K339	Q337-K339 PolarHBondContact O-N 2.91Å
338	N	25	Very low	28.4	Very low	143 Å²	143	152 Å²	152	77%	0.765	79%	0.792	S	S	*	*			trans	-47.9	120.5	159.3	-77.4	-46.1	0	0	0	110.8
339	K	30.1	Very low	28.3	Very low	188 Å²	188	157 Å²	157	82%	0.817	80%	0.8	S	S	*	*			trans	-119.6	74.8	149.7	-86.3	-177.1	179.2	173.6	0	109	Q337 T341	Q337-K339 PolarHBondContact O-N 2.91Å; K339-T341 PolarHBondContact O-N 3.33Å
340	Y	25	Very low	28.3	Very low	208 Å²	208	161.2 Å²	161.2	82%	0.816	81%	0.807	S	S	*	*			trans	-65.1	101.8	146	-86.6	-88	0	0	0	107.5	K342	Y340-K342 VanDerWaalsContact C-N 3.27Å; Y340-K342 PolarHBondContact O-N 2.87Å
341	T	30.1	Very low	28.2	Very low	128 Å²	128	162.4 Å²	162.4	79%	0.785	81%	0.812	S	S	*	*			trans	-68.6	92.2	159.3	21.1	0	0	0	0	108.1	K339 V343	K339-T341 PolarHBondContact O-N 3.33Å; T341-V343 VanDerWaalsContact C-N 3.32Å; T341-V343 PolarHBondContact O-N 3.31Å
342	K	25.2	Very low	28	Very low	202 Å²	202	165.9 Å²	165.9	88%	0.878	82%	0.821	S	S	*	*			trans	-55.2	96.6	155.4	-89.5	177.5	175.2	171.9	0	108.1	Y340	Y340-K342 VanDerWaalsContact C-N 3.27Å; Y340-K342 PolarHBondContact O-N 2.87Å
343	V	29.3	Very low	27.8	Very low	133 Å²	133	168.4 Å²	168.4	81%	0.806	82%	0.817	S	S	*	*			trans	-80.2	127.1	158.2	179.1	0	0	0	0	107.5	T341 R345	T341-V343 VanDerWaalsContact C-N 3.32Å; T341-V343 PolarHBondContact O-N 3.31Å; V343-R345 PolarHBondContact O-N 2.7Å
344	K	27.8	Very low	27.7	Very low	176 Å²	176	165 Å²	165	77%	0.765	81%	0.812	S	S	*	*			trans	-42.9	119.3	-174.4	-70.5	171.3	174.7	175.9	0	112.8	H346	K344-H346 PolarHBondContact O-N 2.81Å; K344-H346 VanDerWaalsContact O-N 3.13Å
345	R	24.3	Very low	27.5	Very low	239 Å²	239	166.8 Å²	166.8	90%	0.902	81%	0.807	S	S	*	*			trans	-65	103.4	153.7	-83.7	-179.2	171.7	144.1	-1.6	107.7	V343 T347	V343-R345 PolarHBondContact O-N 2.7Å; R345-T347 PolarHBondContact O-N 3.29Å
346	H	28.7	Very low	27.4	Very low	165 Å²	165	172.8 Å²	172.8	76%	0.764	82%	0.815	S	S	*	*			trans	-73.9	106.9	157	-92.7	-73.6	0	0	0	108.5	K344 S348	K344-H346 PolarHBondContact O-N 2.81Å; K344-H346 VanDerWaalsContact O-N 3.13Å; H346-S348 VanDerWaalsContact C-N 3.34Å; H346-S348 PolarHBondContact O-N 3.41Å; H346-S348 VanDerWaalsContact O-N 3.09Å
347	T	24.9	Very low	27.3	Very low	129 Å²	129	174.1 Å²	174.1	79%	0.791	82%	0.818	S	S	*	*			trans	-68.4	88.2	162.6	38.3	0	0	0	0	109.2	R345 K349	R345-T347 PolarHBondContact O-N 3.29Å; T347-K349 PolarHBondContact O-N 3.41Å
348	S	29.3	Very low	27.3	Very low	107 Å²	107	173.4 Å²	173.4	75%	0.748	81%	0.814	S	S	*	*			trans	-86.5	97.4	163	-85.5	0	0	0	0	109.5	H346 R350	H346-S348 VanDerWaalsContact C-N 3.34Å; H346-S348 PolarHBondContact O-N 3.41Å; H346-S348 VanDerWaalsContact O-N 3.09Å; S348-R350 PolarHBondContact O-N 3.34Å; S348-R350 VanDerWaalsContact O-N 3.15Å
349	K	26.8	Very low	27.3	Very low	210 Å²	210	171.7 Å²	171.7	91%	0.913	81%	0.813	S	S	*	*			trans	-58.3	106.1	153.6	-70.2	177.2	177.5	177.7	0	107.4	T347	T347-K349 PolarHBondContact O-N 3.41Å
350	R	29.3	Very low	27.3	Very low	231 Å²	231	167.9 Å²	167.9	87%	0.872	81%	0.81	S	S	*	*			trans	-141.2	91.7	165.1	-135.1	177	-174.5	179.1	2.2	110.9	S348	S348-R350 PolarHBondContact O-N 3.34Å; S348-R350 VanDerWaalsContact O-N 3.15Å
351	L	29.1	Very low	27.5	Very low	162 Å²	162	164 Å²	164	85%	0.848	81%	0.808	S	S	*	*			trans	22.3	110.8	144	-76.5	148	0	0	0	116.9	K353	L351-K353 PolarHBondContact O-N 3.45Å; L351-K353 VanDerWaalsContact O-N 3.11Å
352	F	26	Very low	27.6	Very low	205 Å²	205	162.9 Å²	162.9	90%	0.899	81%	0.805	S	S	*	*			trans	-43.1	111.2	149.2	-75.1	-92.8	0	0	0	110.2
353	K	27.4	Very low	28.3	Very low	176 Å²	176	158.4 Å²	158.4	77%	0.765	80%	0.797	S	S	*	*			trans	-99.5	86.6	162.8	-152.9	170.2	-171.2	171.7	0	107.5	L351 R355	L351-K353 PolarHBondContact O-N 3.45Å; L351-K353 VanDerWaalsContact O-N 3.11Å; K353-R355 PolarHBondContact O-N 3.42Å
354	V	26.1	Very low	28.7	Very low	121 Å²	121	157.7 Å²	157.7	73%	0.733	80%	0.795	S	S	*	*			trans	-58.3	103.2	161.7	174.4	0	0	0	0	107	R356	V354-R356 PolarHBondContact O-N 2.9Å
355	R	26.5	Very low	29.4	Very low	205 Å²	205	154.9 Å²	154.9	77%	0.774	80%	0.795	S	S	*	*			trans	-91.2	89.8	162	-88.4	-175.6	173.8	160.4	-2.8	107.9	K353 C357	K353-R355 PolarHBondContact O-N 3.42Å; R355-C357 PolarHBondContact O-N 2.74Å
356	R	26.5	Very low	29.8	Very low	220 Å²	220	149.5 Å²	149.5	83%	0.83	79%	0.789	S	S	*	*			trans	-61.2	107.7	145.8	-100.7	177.4	169.8	149.9	-3.2	106.3	V354 Q358	V354-R356 PolarHBondContact O-N 2.9Å; R356-Q358 PolarHBondContact O-N 2.85Å
357	C	26.1	Very low	29.8	Very low	123 Å²	123	151.3 Å²	151.3	83%	0.831	79%	0.794	S	S	*	*			trans	-73.5	101.9	157.3	-73.9	0	0	0	0	106.3	R355	R355-C357 PolarHBondContact O-N 2.74Å
358	Q	29	Very low	30.3	Very low	171 Å²	171	153.3 Å²	153.3	80%	0.799	80%	0.799	S	S	*	*			trans	-65.6	129.6	165.5	-74.2	180	-29	0	0	108.5	R356 S360	R356-Q358 PolarHBondContact O-N 2.85Å; Q358-S360 PolarHBondContact O-N 2.86Å; Q358-S360 VanDerWaalsContact O-N 3.16Å
359	S	26.6	Very low	30.3	Very low	106 Å²	106	157.5 Å²	157.5	74%	0.741	80%	0.804	S	S	*	*			trans	-41.6	108.6	153.1	47.7	0	0	0	0	111	V361	S359-V361 PolarHBondContact O-N 3.13Å
360	S	30.2	Very low	30.7	Very low	108 Å²	108	152.6 Å²	152.6	76%	0.755	80%	0.796	S	S	*	*			trans	-85.2	93.8	157.2	55.5	0	0	0	0	107.8	Q358 S362	Q358-S360 PolarHBondContact O-N 2.86Å; Q358-S360 VanDerWaalsContact O-N 3.16Å; S360-S362 PolarHBondContact O-N 3.22Å
361	V	28.8	Very low	30.9	Very low	128 Å²	128	151.3 Å²	151.3	78%	0.776	80%	0.797	S	S	*	*			trans	-71	104.9	159.7	173.7	0	0	0	0	106.3	S359	S359-V361 PolarHBondContact O-N 3.13Å
362	S	32.2	Very low	31.2	Very low	103 Å²	103	149.4 Å²	149.4	72%	0.72	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-90.6	117.6	164.4	-56.3	0	0	0	0	107.7	S360	S360-S362 PolarHBondContact O-N 3.22Å
363	P	38.8	Very low	31.7	Very low	108 Å²	108	145.8 Å²	145.8	70%	0.701	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-75.5	147.4	174.6	29.9	-31.1	0	0	0	110.6
364	P	38.6	Very low	32	Very low	118 Å²	118	147 Å²	147	77%	0.766	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-84.9	141.4	179.5	33.9	-31.1	0	0	0	110.6	T366	P364-T366 PolarHBondContact O-N 3.44Å
365	P	41.2	Very low	32.5	Very low	118 Å²	118	147 Å²	147	77%	0.766	80%	0.799	S	S	*	*			trans	-82.3	111.1	166.4	30.2	-26.9	0	0	0	110.1
366	T	33.5	Very low	32.8	Very low	126 Å²	126	146.6 Å²	146.6	77%	0.773	81%	0.808	S	S	*	*			trans	30.9	111.5	134	44.9	0	0	0	0	119.5	P364 L368	P364-T366 PolarHBondContact O-N 3.44Å; T366-L368 PolarHBondContact O-N 3.09Å
367	K	29.7	Very low	32.9	Very low	202 Å²	202	145.1 Å²	145.1	88%	0.878	81%	0.808	S	S	*	*			trans	-9.7	117.9	144.9	-65.9	172.4	178.6	172.6	0	115.2
368	L	34.2	Very low	33.1	Very low	171 Å²	171	148 Å²	148	90%	0.895	81%	0.806	S	S	*	*			trans	-126.9	124.5	142.1	-117.9	98.3	0	0	0	109.6	T366	T366-L368 PolarHBondContact O-N 3.09Å
369	K	29.5	Very low	33.2	Very low	196 Å²	196	146.9 Å²	146.9	85%	0.852	81%	0.806	S	S	*	*			trans	-83.3	129.7	172.1	-68.1	173.6	174.1	178	0	108.3
370	S	35.3	Very low	33.3	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	80%	0.798	S	S	*	*			trans	-171.8	107.6	142.2	51.7	0	0	0	0	112.6
371	K	34	Very low	33.3	Very low	204 Å²	204	148.6 Å²	148.6	89%	0.887	80%	0.804	S	S	*	*			trans	33	135.6	142.5	-66.6	179.7	177	178.1	0	121.4
372	P	34.8	Very low	33.2	Very low	122 Å²	122	146 Å²	146	79%	0.792	80%	0.796	S	S	*	*			trans	-92.8	162.6	168.4	38.2	-31.4	0	0	0	112.1
373	P	37.2	Very low	33	Very low	128 Å²	128	147.5 Å²	147.5	83%	0.831	80%	0.8	S	S	*	*			trans	-123	162.3	149.4	32.4	-17.4	0	0	0	113.9
374	K	33.4	Very low	32.6	Very low	203 Å²	203	147.9 Å²	147.9	88%	0.883	81%	0.806	S	S	*	*			trans	-79.1	171.2	-159.9	-81.7	175.2	179.1	178.4	0	115.3
375	P	36	Very low	32	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	81%	0.807	S	S	*	*			trans	-89.9	159	-169.3	36.4	-33.4	0	0	0	113.5
376	M	32.8	Very low	31.6	Very low	196 Å²	196	151.7 Å²	151.7	97%	0.966	81%	0.808	S	S	*	*			trans	-131.9	152.8	165.9	-88.3	-173	71.4	0	0	112.8
377	K	29.8	Very low	31.4	Very low	188 Å²	188	152.5 Å²	152.5	82%	0.817	81%	0.807	S	S	*	*			trans	-92.3	154.9	-158.9	-73.2	171.4	172.5	173	0	113.9
378	K	28.6	Very low	31	Very low	183 Å²	183	153.9 Å²	153.9	80%	0.796	81%	0.807	S	S	*	*			trans	41.5	127.6	132.7	-64.8	-174.8	173.1	-173.1	0	120.8
379	N	31.7	Very low	30.7	Very low	149 Å²	149	151.6 Å²	151.6	80%	0.797	80%	0.796	S	S	*	*				161.6	150.7	118.9	-85.1	-6	0	0	0	107.1
380	S	28.5	Very low	30.6	Very low	81 Å²	81	149.3 Å²	149.3	57%	0.566	79%	0.793	S	S	*	*			cis	167.4	148.8	-22.1	48.2	0	0	0	0	104.5
381	L	30	Very low	30.3	Very low	169 Å²	169	149.6 Å²	149.6	89%	0.885	80%	0.795	S	S	*	*			trans	75.8	147.5	161.2	-60.4	144.2	0	0	0	116.4
382	A	28.1	Very low	29.8	Very low	74 Å²	74	144.8 Å²	144.8	61%	0.612	79%	0.787	S	S	*	*			cis	-176.3	142.9	-13	0	0	0	0	0	108
383	V	26.3	Very low	29.5	Very low	133 Å²	133	146.9 Å²	146.9	81%	0.806	79%	0.791	S	S	*	*			trans	59.1	119.4	133.8	-177.7	0	0	0	0	120.5
384	S	30.5	Very low	28.8	Very low	117 Å²	117	145.2 Å²	145.2	82%	0.818	78%	0.783	S	S	*	*				-154.4	120.3	114.6	70.7	0	0	0	0	111.8
385	Q	27.2	Very low	28.5	Very low	170 Å²	170	143.4 Å²	143.4	79%	0.794	78%	0.782	S	S	*	*			trans	-78.4	159.5	162.9	-68.6	170.8	-55.3	0	0	110.5
386	N	31.5	Very low	28	Very low	145 Å²	145	141.3 Å²	141.3	78%	0.775	78%	0.775	S	S	*	*			trans	169.1	136.1	141.1	-83	-9	0	0	0	106.7
387	N	29.5	Very low	27.6	Very low	143 Å²	143	140.4 Å²	140.4	77%	0.765	77%	0.768	S	S	*	*			cis	-157.7	153.5	11.8	-105.7	-17.2	0	0	0	110.8
388	W	22.9	Very low	27.5	Very low	231 Å²	231	138.4 Å²	138.4	88%	0.875	77%	0.772	S	S	*	*			trans	-87.4	153.2	163.3	-69.7	4.8	0	0	0	111.2
389	N	27.9	Very low	27.3	Very low	124 Å²	124	134.7 Å²	134.7	66%	0.663	77%	0.768	S	S	*	*				163.2	131.9	113	-87	-16.9	0	0	0	114.4
390	N	26.4	Very low	27.1	Very low	148 Å²	148	136.4 Å²	136.4	79%	0.791	78%	0.776	S	S	*	*			trans	62.5	143.2	138.1	-55.7	-13.2	0	0	0	119.4
391	S	28.5	Very low	27	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	79%	0.787	S	S	*	*			cis	-157.3	166.6	24.7	51	0	0	0	0	113
392	S	24.4	Very low	27	Very low	103 Å²	103	135.4 Å²	135.4	72%	0.72	78%	0.778	S	S	*	*			trans	-55.2	148.6	173.7	47.3	0	0	0	0	117.2
393	D	28.5	Very low	27.1	Very low	165 Å²	165	134.1 Å²	134.1	88%	0.882	76%	0.764	S	S	*	*				-162.1	151.8	127.6	-104.5	-19.6	0	0	0	112.9
394	S	23.4	Very low	27.5	Very low	94 Å²	94	135.9 Å²	135.9	66%	0.657	76%	0.763	S	S	*	*			trans	-98	152.1	-168.2	59.7	0	0	0	0	113.7
395	L	27	Very low	27.9	Very low	164 Å²	164	132.6 Å²	132.6	86%	0.859	74%	0.74	S	S	*	*				159.5	129	128.1	-86.9	158	0	0	0	114.3
396	A	24.1	Very low	28.5	Very low	77 Å²	77	127.3 Å²	127.3	64%	0.636	71%	0.714	S	S	*	*			trans	64.6	120.7	136.5	0	0	0	0	0	123.1
397	E	24.3	Very low	28.9	Very low	177 Å²	177	122.7 Å²	122.7	83%	0.827	69%	0.693	S	S	*	*			trans	57.2	116.2	131.1	-67	-178.8	150.7	0	0	120.5
398	T	29	Very low	29.3	Very low	147 Å²	147	122.1 Å²	122.1	90%	0.902	69%	0.69	S	S	*	*				-172.7	141.5	103.2	21	0	0	0	0	113.5
399	C	23.3	Very low	30	Very low	105 Å²	105	117.5 Å²	117.5	71%	0.709	68%	0.682	S	S	*	*			trans	-52.6	142.1	178.9	-70.8	0	0	0	0	116.6
400	L	27.7	Very low	30.3	Very low	184 Å²	184	117.7 Å²	117.7	96%	0.963	67%	0.673	S	S	*	*			trans	-139.5	100.7	134.8	-81.6	176.2	0	0	0	109
401	T	27.5	Very low	30.7	Very low	130 Å²	130	120.7 Å²	120.7	80%	0.798	68%	0.68	S	S	*	*			trans	-84.3	129.4	173.1	45.8	0	0	0	0	110
402	S	29.3	Very low	30.7	Very low	100 Å²	100	118.6 Å²	118.6	70%	0.699	67%	0.669	S	S	*	*			trans	-134.1	118	163.8	172.2	0	0	0	0	107.3
403	P	30.7	Very low	31.1	Very low	47 Å²	47	117.4 Å²	117.4	31%	0.305	66%	0.655	S	S	.	*			trans	-115.4	78	177.1	36.7	-22.5	0	0	0	109.6	R70	R70-P403 VanDerWaalsContact CZ-CB 3.44Å
404	H	34.4	Very low	31.4	Very low	169 Å²	169	117 Å²	117	78%	0.782	65%	0.652	S	S	*	*			trans	-153.2	62.3	156.7	-72.1	-51.4	0	0	0	108
405	S	38.3	Very low	31.9	Very low	49 Å²	49	115.4 Å²	115.4	34%	0.343	64%	0.642	S	S	.	*			trans	-118.2	117.9	175	-165.3	0	0	0	0	108.5	S407 D408 Q711	S405-S407 WeakPolarHBondContact CB-OG 3.44Å; S405-S407 PolarHBondContact O-N 3.15Å; S405-S407 PolarHBondContact OG-OG 3.46Å; S405-D408 PolarHBondContact O-N 3.41Å; S405-Q711 VanDerWaalsContact C-OE1 3.3Å; S405-Q711 VanDerWaalsContact CA-OE1 3.3Å; S405-Q711 PolarHBondContact OG-NE2 2.74Å; S405-Q711 PolarHBondContact OG-OE1 3.05Å
406	F	40.7	Very low	32.3	Very low	59 Å²	59	115.8 Å²	115.8	26%	0.259	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-51.2	-13.3	168.4	-163.3	-79.4	0	0	0	113	Q711 F751	F406-Q711 HydrophobicContact CB-CB 3.54Å; F406-Q711 HydrophobicContact CB-CG 3.67Å; F406-Q711 WeakPolarHBondContact CD1-O 3.41Å; F406-Q711 HydrophobicContact CG-CB 4.26Å; F406-Q711 HydrophobicContact CG-CG 4.47Å; F406-Q711 WeakPolarHBondContact CG-O 3.28Å; F406-F751 AromaticContact CD1-CE2 4Å; F406-F751 HydrophobicContact CD1-CE2 4Å; F406-F751 HydrophobicContact CD1-CZ 4.44Å; F406-F751 AromaticContact CE1-CD2 3.91Å; F406-F751 HydrophobicContact CE1-CD2 3.91Å; F406-F751 HydrophobicContact CE1-CE1 4.22Å; F406-F751 AromaticContact CE1-CE2 2.97Å; F406-F751 HydrophobicContact CE1-CE2 2.97Å; F406-F751 AromaticContact CE1-CZ 3.15Å; F406-F751 HydrophobicContact CE1-CZ 3.15Å; F406-F751 HydrophobicContact CE2-CE2 4.3Å; F406-F751 HydrophobicContact CE2-CZ 4.4Å; F406-F751 HydrophobicContact CZ-CD1 4.3Å; F406-F751 AromaticContact CZ-CD2 3.77Å; F406-F751 HydrophobicContact CZ-CD2 3.77Å; F406-F751 AromaticContact CZ-CE1 3.75Å; F406-F751 HydrophobicContact CZ-CE1 3.75Å; F406-F751 AromaticContact CZ-CE2 3.16Å; F406-F751 HydrophobicContact CZ-CE2 3.16Å; F406-F751 HydrophobicContact CZ-CG 4.28Å; F406-F751 AromaticContact CZ-CZ 3.1Å; F406-F751 HydrophobicContact CZ-CZ 3.1Å
407	S	38.3	Very low	32.9	Very low	48 Å²	48	118.7 Å²	118.7	34%	0.336	64%	0.637	S	S	.	*	G	3₁₀ helix	trans	-74.2	-23.4	179.9	48.9	0	0	0	0	115.5	S405 L409 Q711	S405-S407 WeakPolarHBondContact CB-OG 3.44Å; S405-S407 PolarHBondContact O-N 3.15Å; S405-S407 PolarHBondContact OG-OG 3.46Å; S407-L409 PolarHBondContact O-N 3.01Å; S407-L409 VanDerWaalsContact O-N 3.15Å; S407-Q711 VanDerWaalsContact CB-NE2 3.27Å; S407-Q711 PolarHBondContact OG-NE2 3.45Å
408	D	38.2	Very low	33.3	Very low	130 Å²	130	118.4 Å²	118.4	70%	0.695	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-78.8	-2.5	-168.9	-66.4	-5.4	0	0	0	113.5	S405	S405-D408 PolarHBondContact O-N 3.41Å
409	L	37.1	Very low	33.4	Very low	134 Å²	134	116.2 Å²	116.2	70%	0.702	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-98.5	2.6	-178.7	-72.2	171	0	0	0	115.1	S407	S407-L409 PolarHBondContact O-N 3.01Å; S407-L409 VanDerWaalsContact O-N 3.15Å
410	R	35	Very low	34	Very low	128 Å²	128	119.6 Å²	119.6	48%	0.483	62%	0.62	S	S	.	*	S	Bend	trans	-141.7	39.1	-172.5	-67.8	-165.6	-65	-173	3.5	117.8
411	F	34	Very low	34.2	Very low	211 Å²	211	119.2 Å²	119.2	93%	0.925	61%	0.611	S	S	*	*	S	Bend	trans	-120	9.1	160.6	-81.2	-77.1	0	0	0	114.8
412	A	28.8	Very low	34.4	Very low	69 Å²	69	119.1 Å²	119.1	57%	0.57	61%	0.61	S	S	*	*	S	Bend	trans	-118.2	126.5	167.4	0	0	0	0	0	110.2
413	N	34.2	Very low	34.6	Very low	78 Å²	78	121.5 Å²	121.5	42%	0.417	61%	0.608	S	S	.	*			trans	83	78.1	164.9	-66.5	-20	0	0	0	120	S415 W416	N413-S415 VanDerWaalsContact CB-OG 3.31Å; N413-S415 WeakPolarHBondContact CB-OG 3.27Å; N413-S415 PolarHBondContact O-N 2.78Å; N413-S415 PolarHBondContact OD1-OG 3.22Å; N413-W416 HydrophobicContact CB-CB 4.36Å; N413-W416 HydrophobicContact CB-CD2 3.68Å; N413-W416 HydrophobicContact CB-CE3 3.4Å; N413-W416 VanDerWaalsContact CB-CE3 3.4Å; N413-W416 HydrophobicContact CB-CG 4.11Å; N413-W416 HydrophobicContact CB-CZ3 3.94Å; N413-W416 VanDerWaalsContact ND2-CE2 3.35Å; N413-W416 WeakPolarHBondContact ND2-CH2 3.18Å; N413-W416 WeakPolarHBondContact ND2-CZ2 3.08Å
414	D	34.7	Very low	34.8	Very low	156 Å²	156	124.9 Å²	124.9	83%	0.834	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	2	138.8	-86.6	-31.1	0	0	0	113.1
415	S	34	Very low	34.8	Very low	62 Å²	62	127.9 Å²	127.9	43%	0.434	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.9	-17.3	177	71.8	0	0	0	0	114.3	N413 N417 K418	N413-S415 VanDerWaalsContact CB-OG 3.31Å; N413-S415 WeakPolarHBondContact CB-OG 3.27Å; N413-S415 PolarHBondContact O-N 2.78Å; N413-S415 PolarHBondContact OD1-OG 3.22Å; S415-N417 PolarHBondContact O-N 2.94Å; S415-K418 PolarHBondContact O-N 3.17Å
416	W	34.8	Very low	34.4	Very low	171 Å²	171	132 Å²	132	65%	0.648	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-80.9	-12.5	-175.6	-86.4	-39.4	0	0	0	115.4	N413 K418 C419	N413-W416 HydrophobicContact CB-CB 4.36Å; N413-W416 HydrophobicContact CB-CD2 3.68Å; N413-W416 HydrophobicContact CB-CE3 3.4Å; N413-W416 VanDerWaalsContact CB-CE3 3.4Å; N413-W416 HydrophobicContact CB-CG 4.11Å; N413-W416 HydrophobicContact CB-CZ3 3.94Å; N413-W416 VanDerWaalsContact ND2-CE2 3.35Å; N413-W416 WeakPolarHBondContact ND2-CH2 3.18Å; N413-W416 WeakPolarHBondContact ND2-CZ2 3.08Å; W416-K418 PolarHBondContact O-N 2.91Å; W416-K418 VanDerWaalsContact O-N 3.15Å; W416-C419 PolarHBondContact O-N 2.8Å
417	N	36.5	Very low	33.9	Very low	139 Å²	139	135.3 Å²	135.3	74%	0.743	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-72.5	1.3	170.8	-78.2	-31.1	0	0	0	113.9	S415	S415-N417 PolarHBondContact O-N 2.94Å
418	K	33.3	Very low	33.7	Very low	170 Å²	170	140.8 Å²	140.8	74%	0.739	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-98.2	-13.7	174.4	-78.7	-179.6	176	176.9	0	114.7	S415 W416	S415-K418 PolarHBondContact O-N 3.17Å; W416-K418 PolarHBondContact O-N 2.91Å; W416-K418 VanDerWaalsContact O-N 3.15Å
419	C	31.3	Very low	33.5	Very low	101 Å²	101	141.9 Å²	141.9	68%	0.682	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	14.8	-173.5	-69.8	0	0	0	0	116	W416 F421	W416-C419 PolarHBondContact O-N 2.8Å; C419-F421 VanDerWaalsContact C-N 3.34Å
420	R	36.1	Very low	33.2	Very low	176 Å²	176	141.2 Å²	141.2	66%	0.664	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	3.8	161.9	-75.5	-169.3	-166	162.4	8.4	113.6	T422 Y783	R420-T422 PolarHBondContact O-N 3.34Å; R420-Y783 PolarHBondContact NH1-OH 2.87Å
421	F	31.5	Very low	32.9	Very low	176 Å²	176	142.8 Å²	142.8	77%	0.772	72%	0.722	S	S	*	*			trans	-91.9	85.1	171.7	-72.7	-81.6	0	0	0	110.7	C419	C419-F421 VanDerWaalsContact C-N 3.34Å
422	T	31	Very low	33	Very low	128 Å²	128	136.5 Å²	136.5	79%	0.785	70%	0.704	S	S	*	*			trans	-123	75.6	158.4	51.5	0	0	0	0	110.3	R420	R420-T422 PolarHBondContact O-N 3.34Å
423	K	34.6	Very low	33.2	Very low	151 Å²	151	140.4 Å²	140.4	66%	0.657	72%	0.721	S	S	*	*			trans	-144.7	119.7	136.6	-79.2	-166.3	179.2	-179.6	0	108.6	W425	K423-W425 PolarHBondContact O-N 2.84Å
424	P	34.8	Very low	33.6	Very low	118 Å²	118	141.5 Å²	141.5	77%	0.766	73%	0.726	S	S	*	*			trans	-79.8	100.3	154.9	30.6	-22.9	0	0	0	106.8
425	W	34.2	Very low	33.9	Very low	231 Å²	231	141.8 Å²	141.8	88%	0.875	73%	0.727	S	S	*	*			trans	-102.8	93	152.5	-99.6	47.2	0	0	0	106.2	K423 N427	K423-W425 PolarHBondContact O-N 2.84Å; W425-N427 PolarHBondContact O-N 2.76Å
426	N	29.2	Very low	34.5	Very low	136 Å²	136	146.9 Å²	146.9	73%	0.727	74%	0.738	S	S	*	*			trans	-65	129.3	162.8	-78	-17.7	0	0	0	108.2
427	N	29.9	Very low	35.5	Very low	128 Å²	128	143.3 Å²	143.3	68%	0.684	74%	0.737	S	S	*	*	S	Bend	trans	67	86.6	147.2	-54.6	-13.9	0	0	0	117.1	W425	W425-N427 PolarHBondContact O-N 2.76Å
428	I	34.5	Very low	37.3	Very low	164 Å²	164	144.1 Å²	144.1	84%	0.841	73%	0.734	S	S	*	*	S	Bend	trans	-176.7	85.3	130.2	-79.5	141	0	0	0	105.5
429	L	33.5	Very low	39.5	Very low	152 Å²	152	141.5 Å²	141.5	80%	0.796	72%	0.72	S	S	*	*			trans	171.7	40.3	158.1	-95.6	154.6	0	0	0	110.2	N431	L429-N431 PolarHBondContact O-N 2.93Å
430	T	31.7	Very low	42.4	Very low	120 Å²	120	142.8 Å²	142.8	74%	0.736	71%	0.711	S	S	*	*			trans	-85.3	88.9	158	49.7	0	0	0	0	106.6
431	N	29.4	Very low	45.2	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	71%	0.705	S	S	*	*	S	Bend	trans	161.4	64	152.9	-80.4	-12	0	0	0	111.8	L429	L429-N431 PolarHBondContact O-N 2.93Å
432	S	35.7	Very low	48.3	Very low	79 Å²	79	132.1 Å²	132.1	55%	0.552	67%	0.669	S	S	*	*			trans	-159.9	105.4	145	49.4	0	0	0	0	109.3	I434	S432-I434 PolarHBondContact O-N 3.1Å
433	T	32.6	Very low	51.5	Low	152 Å²	152	126.2 Å²	126.2	93%	0.933	63%	0.633	S	S	*	*			trans	-73	63.6	170.2	35.5	0	0	0	0	110	N435	T433-N435 PolarHBondContact O-N 2.65Å
434	I	42.2	Very low	54.6	Low	101 Å²	101	119 Å²	119	52%	0.518	60%	0.602	S	S	.	*			trans	-87.3	101.5	163	-59.6	176	0	0	0	106	S432 Y436	S432-I434 PolarHBondContact O-N 3.1Å; I434-Y436 HydrophobicContact CB-CD2 4.33Å; I434-Y436 HydrophobicContact CB-CE2 3.84Å; I434-Y436 HydrophobicContact CG2-CD1 4.24Å; I434-Y436 HydrophobicContact CG2-CD2 4Å; I434-Y436 HydrophobicContact CG2-CE1 3.9Å; I434-Y436 HydrophobicContact CG2-CE2 3.64Å; I434-Y436 HydrophobicContact CG2-CG 4.29Å; I434-Y436 VanDerWaalsContact O-CD2 3.28Å; I434-Y436 WeakPolarHBondContact O-CD2 3.47Å; I434-Y436 PolarHBondContact O-N 3.27Å
435	N	41	Very low	57.7	Low	161 Å²	161	113.4 Å²	113.4	86%	0.861	57%	0.566	S	S	*	*			trans	-71.3	79.1	178.8	-150.7	7.9	0	0	0	108.7	T433	T433-N435 PolarHBondContact O-N 2.65Å
436	Y	46.5	Very low	60.7	Low	169 Å²	169	102.4 Å²	102.4	66%	0.663	52%	0.524	S	S	*	.			trans	-63	128.1	175.6	-70.3	-78.5	0	0	0	108.6	I434 K438	I434-Y436 HydrophobicContact CB-CD2 4.33Å; I434-Y436 HydrophobicContact CB-CE2 3.84Å; I434-Y436 HydrophobicContact CG2-CD1 4.24Å; I434-Y436 HydrophobicContact CG2-CD2 4Å; I434-Y436 HydrophobicContact CG2-CE1 3.9Å; I434-Y436 HydrophobicContact CG2-CE2 3.64Å; I434-Y436 HydrophobicContact CG2-CG 4.29Å; I434-Y436 VanDerWaalsContact O-CD2 3.28Å; I434-Y436 WeakPolarHBondContact O-CD2 3.47Å; I434-Y436 PolarHBondContact O-N 3.27Å; Y436-K438 PolarHBondContact O-N 3Å
437	P	55.5	Low	64	Low	97 Å²	97	96 Å²	96	63%	0.63	49%	0.489	S	S	*	.			trans	-57.9	119.9	175.5	22.8	-31.1	0	0	0	108.4	Y439	P437-Y439 PolarHBondContact O-N 3.23Å
438	K	74.7	Confident	67.3	Low	155 Å²	155	89.9 Å²	89.9	67%	0.674	46%	0.457	S	S	*	.	S	Bend	trans	-57.7	-22.7	-177.8	-174.7	176.9	176.4	-173	0	112.8	Y436 Y783	Y436-K438 PolarHBondContact O-N 3Å; K438-Y783 WeakPolarHBondContact O-CB 3.17Å
439	Y	80.7	Confident	70.4	Confident	115 Å²	115	82 Å²	82	45%	0.451	42%	0.417	S	S	.	.			trans	-127.1	136.3	-180	-59.8	-84.5	0	0	0	109.7	P437 V782 Y783	P437-Y439 PolarHBondContact O-N 3.23Å; Y439-V782 CarbonylContact C-O 3.56Å; Y439-V782 WeakPolarHBondContact CA-O 3.23Å; Y439-Y783 HydrophobicContact CD1-CD1 4.36Å; Y439-Y783 HydrophobicContact CD1-CG 4.43Å; Y439-Y783 AromaticContact CE1-CD1 3.96Å; Y439-Y783 HydrophobicContact CE1-CD1 3.96Å; Y439-Y783 HydrophobicContact CE1-CG 4.07Å
440	R	91.1	Very high	73.5	Confident	129 Å²	129	74.8 Å²	74.8	49%	0.487	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	156.8	168.1	-66	-177.7	174.8	-173.2	-1.8	108.8	E781 V782	R440-E781 CarbonylContact O-C 3.56Å; R440-E781 VanDerWaalsContact O-CA 3.29Å; R440-E781 WeakPolarHBondContact O-CA 3.35Å; R440-V782 HydrophobicContact CB-CG2 4.08Å; R440-V782 PolarHBondContact N-O 3.06Å; R440-V782 PolarHBondContact O-N 2.93Å
441	K	95.1	Very high	76.6	Confident	122 Å²	122	69.1 Å²	69.1	53%	0.53	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.2	171.1	-68.7	-178.4	-179.7	-176.8	0	108.7	V780 E781	K441-V780 WeakPolarHBondContact CA-O 3.48Å; K441-E781 VanDerWaalsContact CE-OE1 3.3Å; K441-E781 WeakPolarHBondContact CE-OE1 3.36Å; K441-E781 HydrophobicContact CG-CG 3.93Å; K441-E781 IonicContact NZ-OE1 2.68Å
442	I	97.6	Very high	79.8	Confident	6 Å²	6	63.1 Å²	63.1	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149.7	166.8	64	170.7	0	0	0	108.9	V444 D475 L571 I605 L610 L779 V780 V782	I442-V444 HydrophobicContact CD1-CG2 4.29Å; I442-V444 HydrophobicContact CG1-CG2 4.34Å; I442-D475 VanDerWaalsContact CA-OD2 3.31Å; I442-D475 WeakPolarHBondContact CA-OD2 3.47Å; I442-D475 HydrophobicContact CB-CB 4.37Å; I442-L571 HydrophobicContact CB-CD2 4.17Å; I442-L571 HydrophobicContact CD1-CD2 4.26Å; I442-L571 HydrophobicContact CG2-CD1 3.95Å; I442-L571 HydrophobicContact CG2-CD2 3.81Å; I442-I605 HydrophobicContact CD1-CD1 3.82Å; I442-L610 HydrophobicContact CD1-CD1 4.2Å; I442-L779 WeakPolarHBondContact O-CA 3.45Å; I442-V780 HydrophobicContact CG1-CB 4.12Å; I442-V780 PolarHBondContact N-O 2.82Å; I442-V780 PolarHBondContact O-N 3.39Å; I442-V782 HydrophobicContact CD1-CG1 3.79Å; I442-V782 HydrophobicContact CG1-CG1 3.91Å; I442-V782 HydrophobicContact CG2-CG2 3.84Å
443	S	98.4	Very high	82.6	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	135.6	172.7	47.6	0	0	0	0	111.4	A474 D475 L476 Y777 F778	S443-A474 VanDerWaalsContact OG-CA 3.26Å; S443-A474 WeakPolarHBondContact OG-CA 3.49Å; S443-D475 PolarHBondContact N-OD2 2.89Å; S443-D475 WeakPolarHBondContact O-CA 3.44Å; S443-D475 PolarHBondContact O-N 3.48Å; S443-D475 PolarHBondContact OG-N 2.94Å; S443-D475 PolarHBondContact OG-OD2 3.47Å; S443-L476 PolarHBondContact O-N 3.47Å; S443-Y777 VanDerWaalsContact CB-CZ 3.48Å; S443-Y777 WeakPolarHBondContact CB-OH 3.38Å; S443-Y777 PolarHBondContact OG-OH 2.95Å; S443-F778 CarbonylContact C-O 3.48Å; S443-F778 VanDerWaalsContact CA-O 3.32Å; S443-F778 WeakPolarHBondContact CA-O 3.46Å
444	V	98.7	Very high	85.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.6	179.6	-176	0	0	0	0	108.8	I442 I446 L476 V478 F612 F778 V780	I442-V444 HydrophobicContact CD1-CG2 4.29Å; I442-V444 HydrophobicContact CG1-CG2 4.34Å; V444-I446 HydrophobicContact CG1-CD1 4.36Å; V444-I446 HydrophobicContact CG1-CG1 3.98Å; V444-L476 HydrophobicContact CG1-CB 4.22Å; V444-L476 HydrophobicContact CG2-CB 4.26Å; V444-V478 HydrophobicContact CG1-CG2 4.45Å; V444-F612 HydrophobicContact CG1-CE1 4Å; V444-F612 HydrophobicContact CG1-CZ 4.26Å; V444-F778 HydrophobicContact CB-CB 4.49Å; V444-F778 PolarHBondContact N-O 3.48Å; V444-F778 PolarHBondContact O-N 3.11Å; V444-V780 HydrophobicContact CB-CG2 4.32Å; V444-V780 HydrophobicContact CG2-CB 4.28Å; V444-V780 HydrophobicContact CG2-CG2 3.7Å
445	F	98.8	Very high	87.3	Confident	1 Å²	1	57.1 Å²	57.1	0%	0.004	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.5	169.6	-180	-77.8	0	0	0	109	W464 L465 A474 L476 Y477 V478 I479 G776 Y777	F445-W464 VanDerWaalsContact CZ-O 3.26Å; F445-W464 WeakPolarHBondContact CZ-O 3.31Å; F445-L465 HydrophobicContact CE1-CD2 3.96Å; F445-L465 HydrophobicContact CZ-CD2 4.19Å; F445-A474 HydrophobicContact CB-CB 3.45Å; F445-A474 VanDerWaalsContact CB-CB 3.45Å; F445-L476 PolarHBondContact N-O 3.47Å; F445-Y477 HydrophobicContact CB-CD1 3.73Å; F445-Y477 HydrophobicContact CB-CE1 3.84Å; F445-Y477 HydrophobicContact CB-CG 4.15Å; F445-Y477 AromaticContact CD1-CD1 3.49Å; F445-Y477 HydrophobicContact CD1-CD1 3.49Å; F445-Y477 VanDerWaalsContact CD1-CD1 3.49Å; F445-Y477 AromaticContact CD1-CE1 3.86Å; F445-Y477 HydrophobicContact CD1-CE1 3.86Å; F445-Y477 HydrophobicContact CD1-CG 4.43Å; F445-Y477 HydrophobicContact CD2-CD1 4.38Å; F445-Y477 AromaticContact CD2-CE1 3.93Å; F445-Y477 HydrophobicContact CD2-CE1 3.93Å; F445-Y477 HydrophobicContact CE1-CD1 4.16Å; F445-Y477 HydrophobicContact CE1-CE1 4.38Å; F445-Y477 HydrophobicContact CE2-CE1 4.42Å; F445-Y477 AromaticContact CG-CD1 3.63Å; F445-Y477 HydrophobicContact CG-CD1 3.63Å; F445-Y477 AromaticContact CG-CE1 3.61Å; F445-Y477 HydrophobicContact CG-CE1 3.61Å; F445-Y477 HydrophobicContact CG-CG 4.5Å; F445-V478 PolarHBondContact O-N 2.91Å; F445-I479 HydrophobicContact CD1-CD1 3.94Å; F445-I479 HydrophobicContact CE1-CD1 3.68Å; F445-G776 WeakPolarHBondContact CA-O 3.26Å; F445-Y777 HydrophobicContact CD2-CD2 4.4Å
446	I	98.9	Very high	88.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.9	173.9	-55.3	-175.2	0	0	0	108	V444 V478 F612 F665 F667 I748 S775 G776 F778	V444-I446 HydrophobicContact CG1-CD1 4.36Å; V444-I446 HydrophobicContact CG1-CG1 3.98Å; I446-V478 CarbonylContact C-O 3.6Å; I446-V478 VanDerWaalsContact CA-O 3.29Å; I446-V478 WeakPolarHBondContact CA-O 3.26Å; I446-V478 HydrophobicContact CG1-CB 4.25Å; I446-F612 HydrophobicContact CD1-CD1 4.35Å; I446-F612 HydrophobicContact CD1-CE1 4.29Å; I446-F665 HydrophobicContact CD1-CB 3.5Å; I446-F665 HydrophobicContact CD1-CD1 3.14Å; I446-F665 HydrophobicContact CD1-CD2 3.85Å; I446-F665 HydrophobicContact CD1-CE1 3.68Å; I446-F665 HydrophobicContact CD1-CE2 4.3Å; I446-F665 HydrophobicContact CD1-CG 3.22Å; I446-F665 HydrophobicContact CD1-CZ 4.22Å; I446-F667 HydrophobicContact CG2-CB 4.18Å; I446-F667 HydrophobicContact CG2-CD1 3.87Å; I446-F667 HydrophobicContact CG2-CD2 3.71Å; I446-F667 HydrophobicContact CG2-CE1 4.15Å; I446-F667 HydrophobicContact CG2-CE2 3.93Å; I446-F667 HydrophobicContact CG2-CG 3.65Å; I446-F667 HydrophobicContact CG2-CZ 4.18Å; I446-I748 HydrophobicContact CB-CD1 4.12Å; I446-I748 HydrophobicContact CB-CG2 4.47Å; I446-I748 HydrophobicContact CD1-CG2 4.36Å; I446-I748 HydrophobicContact CG2-CD1 3.98Å; I446-I748 HydrophobicContact CG2-CG1 4.19Å; I446-I748 HydrophobicContact CG2-CG2 4.26Å; I446-I748 WeakPolarHBondContact O-CD1 3.48Å; I446-S775 CarbonylContact O-C 3.5Å; I446-S775 WeakPolarHBondContact O-CA 3.36Å; I446-G776 PolarHBondContact N-O 2.82Å; I446-G776 PolarHBondContact O-N 3.11Å; I446-F778 HydrophobicContact CB-CE2 4.47Å; I446-F778 HydrophobicContact CD1-CD2 4.37Å; I446-F778 HydrophobicContact CD1-CE2 4.16Å; I446-F778 HydrophobicContact CG1-CD2 4.42Å; I446-F778 HydrophobicContact CG1-CE2 4.33Å
447	G	98.8	Very high	90.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.7	174.8	0	0	0	0	0	110.6	V478 G480 I774	G447-V478 PolarHBondContact N-O 2.87Å; G447-G480 PolarHBondContact O-N 2.96Å; G447-I774 WeakPolarHBondContact CA-O 3.42Å
448	T	98.9	Very high	91.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.3	165.8	-163.7	0	0	0	0	115.1	G480 Q482 G668 D746 P773 I774	T448-G480 WeakPolarHBondContact CA-O 3.16Å; T448-G480 WeakPolarHBondContact CB-O 3.35Å; T448-G480 PolarHBondContact OG1-O 2.85Å; T448-Q482 PolarHBondContact OG1-NE2 3.18Å; T448-G668 WeakPolarHBondContact OG1-CA 3.42Å; T448-D746 HydrophobicContact CG2-CB 4.37Å; T448-P773 WeakPolarHBondContact O-CA 3.27Å; T448-I774 HydrophobicContact CG2-CD1 3.61Å; T448-I774 HydrophobicContact CG2-CG1 3.39Å; T448-I774 PolarHBondContact N-O 3.29Å; T448-I774 PolarHBondContact O-N 3.36Å
449	W	98.6	Very high	92	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	120.7	-178.9	-164.1	8.7	0	0	0	112.2	V451 L459 L461 W464 G480 L481 Q482 W505 Y766 C768 H771 P773	W449-V451 HydrophobicContact CB-CG1 4.29Å; W449-V451 HydrophobicContact CD2-CG1 3.91Å; W449-V451 HydrophobicContact CE3-CG1 4.12Å; W449-V451 HydrophobicContact CG-CG1 4.01Å; W449-V451 PolarHBondContact O-N 2.94Å; W449-L459 HydrophobicContact CH2-CD2 3.73Å; W449-L459 HydrophobicContact CZ3-CD2 3.76Å; W449-L461 HydrophobicContact CZ3-CD2 4.08Å; W449-W464 HydrophobicContact CB-CH2 4.02Å; W449-W464 HydrophobicContact CB-CZ2 4.09Å; W449-W464 HydrophobicContact CE3-CE3 4.35Å; W449-W464 HydrophobicContact CE3-CH2 4.36Å; W449-W464 HydrophobicContact CE3-CZ3 4.04Å; W449-G480 PolarHBondContact N-O 3.42Å; W449-L481 HydrophobicContact CB-CD2 3.9Å; W449-L481 VanDerWaalsContact O-CA 3.3Å; W449-L481 WeakPolarHBondContact O-CA 3.31Å; W449-Q482 PolarHBondContact O-N 3.14Å; W449-Q482 VanDerWaalsContact O-N 3.1Å; W449-Q482 PolarHBondContact O-OE1 3.35Å; W449-W505 AromaticContact CE3-CH2 3.7Å; W449-W505 HydrophobicContact CE3-CH2 3.7Å; W449-W505 AromaticContact CE3-CZ3 3.91Å; W449-W505 HydrophobicContact CE3-CZ3 3.91Å; W449-W505 AromaticContact CH2-CH2 3.94Å; W449-W505 HydrophobicContact CH2-CH2 3.94Å; W449-W505 AromaticContact CZ3-CH2 3.34Å; W449-W505 HydrophobicContact CZ3-CH2 3.34Å; W449-W505 AromaticContact CZ3-CZ3 3.65Å; W449-W505 HydrophobicContact CZ3-CZ3 3.65Å; W449-Y766 AromaticContact CH2-CD1 3.78Å; W449-Y766 HydrophobicContact CH2-CD1 3.78Å; W449-Y766 HydrophobicContact CH2-CG 4.09Å; W449-Y766 HydrophobicContact CZ2-CG 4.48Å; W449-Y766 HydrophobicContact CZ3-CD1 4.16Å; W449-C768 WeakPolarHBondContact CH2-SG 3.42Å; W449-C768 WeakPolarHBondContact CZ2-SG 3.47Å; W449-H771 PolarHBondContact NE1-O 3.16Å; W449-P773 HydrophobicContact CB-CB 3.93Å; W449-P773 HydrophobicContact CD2-CB 3.85Å; W449-P773 HydrophobicContact CD2-CG 3.67Å; W449-P773 HydrophobicContact CE3-CB 4.22Å; W449-P773 HydrophobicContact CE3-CG 3.97Å; W449-P773 HydrophobicContact CG-CB 3.71Å; W449-P773 HydrophobicContact CG-CG 4Å; W449-P773 HydrophobicContact CH2-CG 4.45Å; W449-P773 HydrophobicContact CZ2-CG 4.19Å; W449-P773 HydrophobicContact CZ3-CG 4.32Å
450	N	98.6	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	113.6	161	-176.3	-28.5	0	0	0	108.9	N452 Q482 E483 D669 S769 H771	N450-N452 PolarHBondContact OD1-N 3.21Å; N450-N452 VanDerWaalsContact OD1-N 3.1Å; N450-Q482 WeakPolarHBondContact CA-O 3.5Å; N450-Q482 HydrophobicContact CB-CB 4.24Å; N450-Q482 VanDerWaalsContact N-OE1 3.12Å; N450-E483 PolarHBondContact ND2-OE1 3.03Å; N450-E483 WeakPolarHBondContact OD1-CB 3.48Å; N450-E483 WeakPolarHBondContact OD1-CG 3.16Å; N450-D669 HydrophobicContact CB-CB 4.38Å; N450-D669 PolarHBondContact ND2-OD2 2.82Å; N450-S769 WeakPolarHBondContact O-CB 3.44Å; N450-S769 PolarHBondContact O-OG 2.92Å; N450-H771 HydrophobicContact CB-CB 4.08Å
451	V	97.5	Very high	92.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.			trans	-94.8	-1.3	-172.4	-58.9	0	0	0	0	113.4	W449 G453 R454 L481 Q482 L484 W505	W449-V451 HydrophobicContact CB-CG1 4.29Å; W449-V451 HydrophobicContact CD2-CG1 3.91Å; W449-V451 HydrophobicContact CE3-CG1 4.12Å; W449-V451 HydrophobicContact CG-CG1 4.01Å; W449-V451 PolarHBondContact O-N 2.94Å; V451-G453 VanDerWaalsContact C-N 3.31Å; V451-G453 PolarHBondContact O-N 3.16Å; V451-R454 VanDerWaalsContact O-CB 3.25Å; V451-R454 WeakPolarHBondContact O-CB 3.24Å; V451-R454 WeakPolarHBondContact O-CG 3.4Å; V451-R454 PolarHBondContact O-N 2.72Å; V451-L481 HydrophobicContact CG1-CD1 4.41Å; V451-L481 HydrophobicContact CG1-CD2 3.99Å; V451-Q482 WeakPolarHBondContact CG2-O 3.35Å; V451-Q482 PolarHBondContact N-O 3.14Å; V451-L484 HydrophobicContact CG2-CD1 4.26Å; V451-W505 HydrophobicContact CB-CH2 4.4Å; V451-W505 HydrophobicContact CB-CZ2 3.69Å; V451-W505 HydrophobicContact CG1-CH2 3.68Å; V451-W505 HydrophobicContact CG1-CZ2 3.37Å; V451-W505 HydrophobicContact CG1-CZ3 4.44Å; V451-W505 HydrophobicContact CG2-CZ2 4.24Å
452	N	96.4	Very high	92.8	Very high	35 Å²	35	29.5 Å²	29.5	19%	0.187	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	49.9	174.9	-171.3	10.9	0	0	0	113.6	N450 R454 D770	N450-N452 PolarHBondContact OD1-N 3.21Å; N450-N452 VanDerWaalsContact OD1-N 3.1Å; N452-R454 PolarHBondContact O-N 2.96Å; N452-D770 VanDerWaalsContact CB-OD1 3.32Å; N452-D770 WeakPolarHBondContact CB-OD1 3.45Å; N452-D770 VanDerWaalsContact ND2-CG 3.28Å; N452-D770 PolarHBondContact ND2-OD1 2.9Å
453	G	93.7	Very high	92.7	Very high	33 Å²	33	33.2 Å²	33.2	34%	0.34	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	8.2	177.7	0	0	0	0	0	115.5	V451 E483	V451-G453 VanDerWaalsContact C-N 3.31Å; V451-G453 PolarHBondContact O-N 3.16Å; G453-E483 WeakPolarHBondContact CA-O 3.39Å; G453-E483 PolarHBondContact N-O 2.85Å
454	R	92.1	Very high	92.7	Very high	104 Å²	104	33 Å²	33	39%	0.392	18%	0.182	S	C	.	.			trans	-73.7	138.1	176.9	-58.3	-63.5	174.4	-165.6	-9.7	110.1	V451 N452 G456 W505 C768	V451-R454 VanDerWaalsContact O-CB 3.25Å; V451-R454 WeakPolarHBondContact O-CB 3.24Å; V451-R454 WeakPolarHBondContact O-CG 3.4Å; V451-R454 PolarHBondContact O-N 2.72Å; N452-R454 PolarHBondContact O-N 2.96Å; R454-G456 VanDerWaalsContact C-N 3.33Å; R454-G456 PolarHBondContact O-N 3.42Å; R454-W505 PolarHBondContact O-NE1 2.91Å; R454-C768 WeakPolarHBondContact CG-O 3.32Å; R454-C768 PolarHBondContact NE-O 3.11Å; R454-C768 VanDerWaalsContact NE-O 3.12Å
455	N	80.8	Confident	92.6	Very high	70 Å²	70	33.1 Å²	33.1	37%	0.374	18%	0.182	S	C	.	.			trans	-86.2	3.8	-174.2	64.8	-14.1	0	0	0	114.2	S457 P501 L504	N455-S457 PolarHBondContact ND2-OG 3.2Å; N455-S457 PolarHBondContact O-N 3.35Å; N455-S457 VanDerWaalsContact O-N 3.09Å; N455-S457 PolarHBondContact OD1-OG 3.27Å; N455-S457 VanDerWaalsContact OD1-OG 3.11Å; N455-P501 HydrophobicContact CB-CB 4.48Å; N455-L504 HydrophobicContact CB-CD1 4.06Å; N455-L504 WeakPolarHBondContact O-CB 3.46Å
456	G	73.2	Confident	92.5	Very high	5 Å²	5	36 Å²	36	5%	0.052	20%	0.197	C	C	.	.			trans	72.3	-5	176.2	0	0	0	0	0	116	R454 N458 L459 Q508	R454-G456 VanDerWaalsContact C-N 3.33Å; R454-G456 PolarHBondContact O-N 3.42Å; G456-N458 PolarHBondContact O-N 2.87Å; G456-L459 WeakPolarHBondContact O-CB 3.23Å; G456-L459 PolarHBondContact O-N 3.33Å; G456-Q508 VanDerWaalsContact O-CG 3.31Å; G456-Q508 WeakPolarHBondContact O-CG 3.33Å
457	S	79.2	Confident	92.3	Very high	56 Å²	56	36.6 Å²	36.6	39%	0.392	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	134.5	-173.8	56.9	0	0	0	0	112.9	N455 L459	N455-S457 PolarHBondContact ND2-OG 3.2Å; N455-S457 PolarHBondContact O-N 3.35Å; N455-S457 VanDerWaalsContact O-N 3.09Å; N455-S457 PolarHBondContact OD1-OG 3.27Å; N455-S457 VanDerWaalsContact OD1-OG 3.11Å; S457-L459 VanDerWaalsContact C-N 3.3Å; S457-L459 PolarHBondContact O-N 3.3Å
458	N	78.5	Confident	92.2	Very high	159 Å²	159	37.1 Å²	37.1	85%	0.85	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	29.1	176.3	-58.8	-24	0	0	0	115.2	G456	G456-N458 PolarHBondContact O-N 2.87Å
459	L	86.6	Confident	91.9	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.173	25%	0.249	C	C	.	.			trans	-109.7	115	-178	-164.4	117.7	0	0	0	110.7	W449 G456 S457 L461 W505 Q508 Y766 C768	W449-L459 HydrophobicContact CH2-CD2 3.73Å; W449-L459 HydrophobicContact CZ3-CD2 3.76Å; G456-L459 WeakPolarHBondContact O-CB 3.23Å; G456-L459 PolarHBondContact O-N 3.33Å; S457-L459 VanDerWaalsContact C-N 3.3Å; S457-L459 PolarHBondContact O-N 3.3Å; L459-L461 HydrophobicContact CD2-CD2 3.32Å; L459-L461 HydrophobicContact CD2-CG 4.31Å; L459-L461 PolarHBondContact O-N 3.43Å; L459-W505 HydrophobicContact CD2-CH2 4.41Å; L459-Q508 VanDerWaalsContact N-NE2 3.2Å; L459-Q508 PolarHBondContact O-NE2 3.46Å; L459-Y766 HydrophobicContact CD2-CD1 3.78Å; L459-Y766 HydrophobicContact CD2-CE1 3.77Å; L459-Y766 HydrophobicContact CG-CD1 4.36Å; L459-Y766 HydrophobicContact CG-CE1 4.37Å; L459-C768 HydrophobicContact CD1-CB 4.12Å
460	N	91.9	Very high	91.7	Very high	98 Å²	98	50.2 Å²	50.2	52%	0.524	29%	0.286	S	S	.	.			trans	-72.2	120.4	176.5	178.2	-46.2	0	0	0	110	D462 Y766	N460-D462 PolarHBondContact ND2-OD2 3.47Å; N460-D462 WeakPolarHBondContact OD1-CB 3.14Å; N460-D462 PolarHBondContact OD1-N 3.21Å; N460-D462 PolarHBondContact OD1-OD1 3.29Å; N460-D462 PolarHBondContact OD1-OD2 2.86Å; N460-Y766 WeakPolarHBondContact O-CE1 3.21Å; N460-Y766 PolarHBondContact O-OH 3.44Å
461	L	95.9	Very high	91.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	30%	0.298	C	S	.	.			trans	-96.8	7.2	-177.3	-60.6	176.5	0	0	0	114.2	W449 L459 D463 W464 L465 W505 Q508 L509 A512 Y766	W449-L461 HydrophobicContact CZ3-CD2 4.08Å; L459-L461 HydrophobicContact CD2-CD2 3.32Å; L459-L461 HydrophobicContact CD2-CG 4.31Å; L459-L461 PolarHBondContact O-N 3.43Å; L461-D463 PolarHBondContact O-N 2.96Å; L461-W464 HydrophobicContact CD2-CE3 3.95Å; L461-W464 HydrophobicContact CD2-CZ3 4.39Å; L461-W464 PolarHBondContact O-N 2.92Å; L461-L465 HydrophobicContact CB-CD1 4Å; L461-L465 HydrophobicContact CB-CG 4.34Å; L461-L465 WeakPolarHBondContact O-CG 3.38Å; L461-L465 PolarHBondContact O-N 3.04Å; L461-W505 HydrophobicContact CD1-CE3 4.42Å; L461-W505 HydrophobicContact CD1-CZ3 4.34Å; L461-W505 HydrophobicContact CD2-CZ3 4.04Å; L461-Q508 HydrophobicContact CD1-CB 3.7Å; L461-Q508 HydrophobicContact CG-CB 4.32Å; L461-L509 HydrophobicContact CD1-CD2 3.68Å; L461-L509 HydrophobicContact CD1-CG 3.93Å; L461-A512 HydrophobicContact CB-CB 3.99Å; L461-Y766 VanDerWaalsContact C-OH 3.25Å; L461-Y766 VanDerWaalsContact CA-OH 3.27Å; L461-Y766 WeakPolarHBondContact CA-OH 3.3Å; L461-Y766 HydrophobicContact CD2-CE1 4.15Å
462	D	95.6	Very high	91.5	Very high	15 Å²	15	54.1 Å²	54.1	8%	0.08	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-51	-173.4	-59.8	-15.7	0	0	0	111.1	N460 W464 L465 I466 A512 L513 I535	N460-D462 PolarHBondContact ND2-OD2 3.47Å; N460-D462 WeakPolarHBondContact OD1-CB 3.14Å; N460-D462 PolarHBondContact OD1-N 3.21Å; N460-D462 PolarHBondContact OD1-OD1 3.29Å; N460-D462 PolarHBondContact OD1-OD2 2.86Å; D462-W464 PolarHBondContact O-N 2.91Å; D462-L465 PolarHBondContact O-N 2.96Å; D462-L465 VanDerWaalsContact O-N 3.16Å; D462-I466 VanDerWaalsContact O-CB 3.26Å; D462-I466 WeakPolarHBondContact O-CB 3.36Å; D462-I466 PolarHBondContact O-N 3.08Å; D462-A512 VanDerWaalsContact OD1-CA 3.29Å; D462-A512 WeakPolarHBondContact OD1-CA 3.35Å; D462-L513 HydrophobicContact CB-CD2 3.89Å; D462-L513 PolarHBondContact OD1-N 3.35Å; D462-I535 HydrophobicContact CB-CG2 4.43Å; D462-I535 WeakPolarHBondContact OD2-CG2 3.25Å
463	D	95.4	Very high	91.6	Very high	83 Å²	83	52.5 Å²	52.5	44%	0.444	30%	0.298	S	S	.	.	H	α-helix	trans	-57.7	-35.8	179.6	-79.7	-0.8	0	0	0	112.5	L461 I466 H763 Y766	L461-D463 PolarHBondContact O-N 2.96Å; D463-I466 WeakPolarHBondContact O-CG2 3.45Å; D463-H763 PolarHBondContact O-CE1 3.21Å; D463-H763 PolarHBondContact O-ND1 3.18Å; D463-Y766 HydrophobicContact CB-CE2 4.06Å; D463-Y766 PolarHBondContact N-OH 3.23Å
464	W	97.8	Very high	91.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.7	-46.6	177.3	-179	26.7	0	0	0	111.9	F445 W449 L461 D462 I479 L481 L509 H763 Y766 P773 I774	F445-W464 VanDerWaalsContact CZ-O 3.26Å; F445-W464 WeakPolarHBondContact CZ-O 3.31Å; W449-W464 HydrophobicContact CB-CH2 4.02Å; W449-W464 HydrophobicContact CB-CZ2 4.09Å; W449-W464 HydrophobicContact CE3-CE3 4.35Å; W449-W464 HydrophobicContact CE3-CH2 4.36Å; W449-W464 HydrophobicContact CE3-CZ3 4.04Å; L461-W464 HydrophobicContact CD2-CE3 3.95Å; L461-W464 HydrophobicContact CD2-CZ3 4.39Å; L461-W464 PolarHBondContact O-N 2.92Å; D462-W464 PolarHBondContact O-N 2.91Å; W464-I479 HydrophobicContact CH2-CG2 3.56Å; W464-I479 HydrophobicContact CZ2-CG2 4.25Å; W464-I479 HydrophobicContact CZ3-CG2 4.11Å; W464-L481 HydrophobicContact CH2-CD2 3.8Å; W464-L481 HydrophobicContact CZ3-CD2 4.42Å; W464-L509 HydrophobicContact CZ3-CD2 4.21Å; W464-H763 AromaticContact CD1-CD2 3.39Å; W464-H763 AromaticContact CD1-CG 3.96Å; W464-H763 AromaticContact CD1-NE2 3.53Å; W464-H763 PolarHBondContact O-CE1 3.22Å; W464-Y766 HydrophobicContact CB-CE2 3.67Å; W464-Y766 PolarHBondContact N-OH 3.33Å; W464-Y766 VanDerWaalsContact N-OH 3.14Å; W464-P773 HydrophobicContact CD2-CB 4.07Å; W464-P773 HydrophobicContact CG-CB 4.17Å; W464-P773 HydrophobicContact CZ2-CB 4.21Å; W464-I774 PolarHBondContact NE1-O 3.07Å
465	L	97.5	Very high	92.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-87.9	-15.8	-169.8	-62.6	177.7	0	0	0	113.9	F445 L461 D462 Y477 I479 L509 A512 L513 L517	F445-L465 HydrophobicContact CE1-CD2 3.96Å; F445-L465 HydrophobicContact CZ-CD2 4.19Å; L461-L465 HydrophobicContact CB-CD1 4Å; L461-L465 HydrophobicContact CB-CG 4.34Å; L461-L465 WeakPolarHBondContact O-CG 3.38Å; L461-L465 PolarHBondContact O-N 3.04Å; D462-L465 PolarHBondContact O-N 2.96Å; D462-L465 VanDerWaalsContact O-N 3.16Å; L465-Y477 HydrophobicContact CD2-CD1 4.49Å; L465-Y477 WeakPolarHBondContact O-CE1 3.26Å; L465-Y477 PolarHBondContact O-OH 3.08Å; L465-I479 HydrophobicContact CD2-CD1 3.64Å; L465-L509 HydrophobicContact CD1-CD2 3.99Å; L465-L509 HydrophobicContact CD2-CD2 4.29Å; L465-A512 HydrophobicContact CD1-CB 3.6Å; L465-L513 HydrophobicContact CB-CD1 3.92Å; L465-L513 HydrophobicContact CB-CG 4.39Å; L465-L517 HydrophobicContact CD1-CD1 4.37Å
466	I	96.2	Very high	92.9	Very high	62 Å²	62	43.4 Å²	43.4	32%	0.318	25%	0.25	S	C	.	.	S	Bend	trans	-60.7	131.6	-179.4	-160.3	167.7	0	0	0	110	D462 D463 L513 F538 R761	D462-I466 VanDerWaalsContact O-CB 3.26Å; D462-I466 WeakPolarHBondContact O-CB 3.36Å; D462-I466 PolarHBondContact O-N 3.08Å; D463-I466 WeakPolarHBondContact O-CG2 3.45Å; I466-L513 HydrophobicContact CB-CD2 4.08Å; I466-L513 HydrophobicContact CG1-CD2 4.29Å; I466-F538 HydrophobicContact CG1-CE2 4.48Å; I466-R761 PolarHBondContact O-NH2 3.22Å
467	P	96.2	Very high	94.2	Very high	12 Å²	12	43.2 Å²	43.2	8%	0.078	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.1	159.2	177.1	25.3	-34.7	0	0	0	111.3	Q471 P472 F538 Y777	P467-Q471 HydrophobicContact CB-CB 4.28Å; P467-P472 VanDerWaalsContact CB-O 3.3Å; P467-P472 WeakPolarHBondContact CB-O 3.25Å; P467-F538 HydrophobicContact CG-CZ 3.89Å; P467-Y777 HydrophobicContact CB-CD2 4.44Å; P467-Y777 HydrophobicContact CB-CE2 4.01Å
468	P	95.9	Very high	95.1	Very high	12 Å²	12	40.5 Å²	40.5	8%	0.078	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-55.7	152.9	170.8	-21.1	32.6	0	0	0	112.2	G470 Q471 A759 Y777	P468-G470 PolarHBondContact O-N 2.98Å; P468-Q471 HydrophobicContact CB-CB 4.48Å; P468-Q471 HydrophobicContact CB-CG 4.05Å; P468-Q471 HydrophobicContact CG-CG 4.37Å; P468-Q471 WeakPolarHBondContact O-CB 3.43Å; P468-Q471 PolarHBondContact O-N 2.86Å; P468-A759 HydrophobicContact CB-CB 3.9Å; P468-A759 HydrophobicContact CG-CB 3.34Å; P468-Y777 VanDerWaalsContact CD-CD2 3.46Å; P468-Y777 HydrophobicContact CG-CD2 4.22Å; P468-Y777 HydrophobicContact CG-CG 3.99Å
469	E	92.4	Very high	96.1	Very high	198 Å²	198	33 Å²	33	93%	0.925	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.1	132.1	177.8	-169.4	178.1	178.3	0	0	110.9	Q471	E469-Q471 VanDerWaalsContact C-N 3.26Å; E469-Q471 PolarHBondContact O-N 3.09Å
470	G	93.7	Very high	96.7	Very high	76 Å²	76	31.5 Å²	31.5	78%	0.784	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	2.3	-177.2	0	0	0	0	0	115.6	P468	P468-G470 PolarHBondContact O-N 2.98Å
471	Q	96.3	Very high	97	Very high	56 Å²	56	26.9 Å²	26.9	26%	0.262	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-103.3	144.7	174.4	-59.7	-57.9	-57.9	0	0	111.6	P467 P468 E469 I758 Y777	P467-Q471 HydrophobicContact CB-CB 4.28Å; P468-Q471 HydrophobicContact CB-CB 4.48Å; P468-Q471 HydrophobicContact CB-CG 4.05Å; P468-Q471 HydrophobicContact CG-CG 4.37Å; P468-Q471 WeakPolarHBondContact O-CB 3.43Å; P468-Q471 PolarHBondContact O-N 2.86Å; E469-Q471 VanDerWaalsContact C-N 3.26Å; E469-Q471 PolarHBondContact O-N 3.09Å; Q471-I758 HydrophobicContact CG-CG2 4.01Å; Q471-Y777 HydrophobicContact CB-CE1 4.15Å; Q471-Y777 HydrophobicContact CB-CE2 4.31Å; Q471-Y777 HydrophobicContact CG-CD1 4.5Å; Q471-Y777 HydrophobicContact CG-CE1 4.2Å
472	P	96.5	Very high	97.1	Very high	27 Å²	27	26.8 Å²	26.8	18%	0.175	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-71	167.4	169.6	33.1	-35.7	0	0	0	110.8	P467 A474 W542 Y545 Y777	P467-P472 VanDerWaalsContact CB-O 3.3Å; P467-P472 WeakPolarHBondContact CB-O 3.25Å; P472-A474 PolarHBondContact O-N 2.74Å; P472-W542 HydrophobicContact CB-CE3 4.2Å; P472-W542 HydrophobicContact CB-CH2 3.67Å; P472-W542 HydrophobicContact CB-CZ2 4.4Å; P472-W542 HydrophobicContact CB-CZ3 3.55Å; P472-Y545 HydrophobicContact CB-CD1 4.46Å; P472-Y545 HydrophobicContact CB-CD2 4.4Å; P472-Y545 HydrophobicContact CB-CE1 4.04Å; P472-Y545 HydrophobicContact CB-CE2 3.94Å; P472-Y545 HydrophobicContact CG-CE1 4.44Å; P472-Y545 HydrophobicContact CG-CE2 4.12Å; P472-Y777 WeakPolarHBondContact O-CE2 3.32Å; P472-Y777 PolarHBondContact O-OH 2.86Å
473	P	97.6	Very high	97.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-47.4	141.7	162.6	-27.8	36.1	0	0	0	111.2	Y477 L516 F538 W542 Y545 T546 Y550	P473-Y477 HydrophobicContact CB-CE2 4.48Å; P473-L516 HydrophobicContact CB-CD2 4.12Å; P473-L516 HydrophobicContact CG-CD2 4.37Å; P473-F538 HydrophobicContact CG-CE1 3.67Å; P473-F538 HydrophobicContact CG-CZ 3.83Å; P473-W542 HydrophobicContact CG-CB 3.86Å; P473-W542 HydrophobicContact CG-CD2 3.74Å; P473-W542 HydrophobicContact CG-CE3 4.4Å; P473-W542 HydrophobicContact CG-CG 3.44Å; P473-W542 VanDerWaalsContact CG-CG 3.44Å; P473-Y545 WeakPolarHBondContact O-CE1 3.29Å; P473-T546 HydrophobicContact CB-CG2 4.49Å; P473-Y550 WeakPolarHBondContact CB-OH 3.25Å
474	A	98.5	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-69.5	141.4	-179.7	0	0	0	0	0	111.1	S443 F445 P472 L476 Y477 Y550 Y777	S443-A474 VanDerWaalsContact OG-CA 3.26Å; S443-A474 WeakPolarHBondContact OG-CA 3.49Å; F445-A474 HydrophobicContact CB-CB 3.45Å; F445-A474 VanDerWaalsContact CB-CB 3.45Å; P472-A474 PolarHBondContact O-N 2.74Å; A474-L476 VanDerWaalsContact CB-O 3.3Å; A474-L476 WeakPolarHBondContact CB-O 3.06Å; A474-L476 PolarHBondContact O-N 2.98Å; A474-Y477 HydrophobicContact CB-CD2 4.13Å; A474-Y477 HydrophobicContact CB-CE2 3.83Å; A474-Y477 WeakPolarHBondContact O-CD2 3.33Å; A474-Y477 VanDerWaalsContact O-CE2 3.28Å; A474-Y477 WeakPolarHBondContact O-CE2 3.49Å; A474-Y550 WeakPolarHBondContact O-CE1 3.49Å; A474-Y550 VanDerWaalsContact O-CZ 3.25Å; A474-Y550 PolarHBondContact O-OH 3.08Å; A474-Y777 HydrophobicContact CB-CD2 4.31Å; A474-Y777 HydrophobicContact CB-CE2 3.77Å
475	D	98.5	Very high	96.7	Very high	17 Å²	17	24.4 Å²	24.4	9%	0.091	14%	0.141	C	C	.	.	S	Bend	trans	-64	-33.1	175.2	-57.7	-54.8	0	0	0	112.2	I442 S443 Y545 I567 S568 L571	I442-D475 VanDerWaalsContact CA-OD2 3.31Å; I442-D475 WeakPolarHBondContact CA-OD2 3.47Å; I442-D475 HydrophobicContact CB-CB 4.37Å; S443-D475 PolarHBondContact N-OD2 2.89Å; S443-D475 WeakPolarHBondContact O-CA 3.44Å; S443-D475 PolarHBondContact O-N 3.48Å; S443-D475 PolarHBondContact OG-N 2.94Å; S443-D475 PolarHBondContact OG-OD2 3.47Å; D475-Y545 PolarHBondContact OD1-OH 3.48Å; D475-I567 CarbonylContact O-C 3.53Å; D475-I567 WeakPolarHBondContact O-CA 3.34Å; D475-S568 PolarHBondContact O-N 3.35Å; D475-L571 HydrophobicContact CB-CB 4.46Å; D475-L571 HydrophobicContact CB-CD2 3.49Å; D475-L571 VanDerWaalsContact CB-CD2 3.49Å
476	L	98.6	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.1	169.7	-105.3	73.9	0	0	0	111.1	S443 V444 F445 A474 V565 Y566 I567 L571 L603 I605 L610 F612	S443-L476 PolarHBondContact O-N 3.47Å; V444-L476 HydrophobicContact CG1-CB 4.22Å; V444-L476 HydrophobicContact CG2-CB 4.26Å; F445-L476 PolarHBondContact N-O 3.47Å; A474-L476 VanDerWaalsContact CB-O 3.3Å; A474-L476 WeakPolarHBondContact CB-O 3.06Å; A474-L476 PolarHBondContact O-N 2.98Å; L476-V565 HydrophobicContact CD2-CG1 4.27Å; L476-Y566 WeakPolarHBondContact CA-O 3.42Å; L476-I567 HydrophobicContact CD1-CB 4.11Å; L476-I567 HydrophobicContact CD1-CD1 3.85Å; L476-I567 HydrophobicContact CD1-CG1 3.73Å; L476-L571 HydrophobicContact CD1-CD2 3.88Å; L476-L603 HydrophobicContact CD2-CD1 4.43Å; L476-L603 HydrophobicContact CD2-CD2 4.38Å; L476-I605 HydrophobicContact CD1-CD1 3.38Å; L476-I605 HydrophobicContact CD2-CD1 4.02Å; L476-I605 HydrophobicContact CG-CD1 4.36Å; L476-L610 HydrophobicContact CD2-CD1 4.35Å; L476-F612 HydrophobicContact CD2-CE2 3.95Å; L476-F612 HydrophobicContact CD2-CZ 3.84Å
477	Y	98.9	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121	165.3	-80.7	-100.9	0	0	0	109.6	F445 L465 P473 A474 L517 Y550 V565 Y566	F445-Y477 HydrophobicContact CB-CD1 3.73Å; F445-Y477 HydrophobicContact CB-CE1 3.84Å; F445-Y477 HydrophobicContact CB-CG 4.15Å; F445-Y477 AromaticContact CD1-CD1 3.49Å; F445-Y477 HydrophobicContact CD1-CD1 3.49Å; F445-Y477 VanDerWaalsContact CD1-CD1 3.49Å; F445-Y477 AromaticContact CD1-CE1 3.86Å; F445-Y477 HydrophobicContact CD1-CE1 3.86Å; F445-Y477 HydrophobicContact CD1-CG 4.43Å; F445-Y477 HydrophobicContact CD2-CD1 4.38Å; F445-Y477 AromaticContact CD2-CE1 3.93Å; F445-Y477 HydrophobicContact CD2-CE1 3.93Å; F445-Y477 HydrophobicContact CE1-CD1 4.16Å; F445-Y477 HydrophobicContact CE1-CE1 4.38Å; F445-Y477 HydrophobicContact CE2-CE1 4.42Å; F445-Y477 AromaticContact CG-CD1 3.63Å; F445-Y477 HydrophobicContact CG-CD1 3.63Å; F445-Y477 AromaticContact CG-CE1 3.61Å; F445-Y477 HydrophobicContact CG-CE1 3.61Å; F445-Y477 HydrophobicContact CG-CG 4.5Å; L465-Y477 HydrophobicContact CD2-CD1 4.49Å; L465-Y477 WeakPolarHBondContact O-CE1 3.26Å; L465-Y477 PolarHBondContact O-OH 3.08Å; P473-Y477 HydrophobicContact CB-CE2 4.48Å; A474-Y477 HydrophobicContact CB-CD2 4.13Å; A474-Y477 HydrophobicContact CB-CE2 3.83Å; A474-Y477 WeakPolarHBondContact O-CD2 3.33Å; A474-Y477 VanDerWaalsContact O-CE2 3.28Å; A474-Y477 WeakPolarHBondContact O-CE2 3.49Å; Y477-L517 HydrophobicContact CD1-CD2 4.5Å; Y477-L517 HydrophobicContact CD2-CD2 3.77Å; Y477-L517 HydrophobicContact CE2-CD2 4.23Å; Y477-L517 HydrophobicContact CG-CD2 3.92Å; Y477-Y550 HydrophobicContact CD2-CD1 4.3Å; Y477-Y550 AromaticContact CD2-CE1 3.62Å; Y477-Y550 HydrophobicContact CD2-CE1 3.62Å; Y477-Y550 AromaticContact CD2-CZ 3.98Å; Y477-Y550 AromaticContact CE2-CE1 3.97Å; Y477-Y550 HydrophobicContact CE2-CE1 3.97Å; Y477-Y550 AromaticContact CE2-CZ 3.83Å; Y477-V565 CarbonylContact O-C 3.56Å; Y477-V565 WeakPolarHBondContact O-CA 3.29Å; Y477-Y566 PolarHBondContact N-O 2.76Å; Y477-Y566 PolarHBondContact O-N 3.33Å
478	V	98.9	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109	179.7	178.7	0	0	0	0	107.9	V444 F445 I446 G447 M563 V565 F612 F667	V444-V478 HydrophobicContact CG1-CG2 4.45Å; F445-V478 PolarHBondContact O-N 2.91Å; I446-V478 CarbonylContact C-O 3.6Å; I446-V478 VanDerWaalsContact CA-O 3.29Å; I446-V478 WeakPolarHBondContact CA-O 3.26Å; I446-V478 HydrophobicContact CG1-CB 4.25Å; G447-V478 PolarHBondContact N-O 2.87Å; V478-M563 HydrophobicContact CG1-CG 4.29Å; V478-M563 HydrophobicContact CG1-SD 3.96Å; V478-V565 HydrophobicContact CB-CG2 4.38Å; V478-V565 HydrophobicContact CG1-CG2 4.07Å; V478-V565 HydrophobicContact CG2-CG1 3.97Å; V478-V565 HydrophobicContact CG2-CG2 4.04Å; V478-F612 HydrophobicContact CB-CD1 4.25Å; V478-F612 HydrophobicContact CB-CE1 4.46Å; V478-F612 HydrophobicContact CG1-CB 4.05Å; V478-F612 HydrophobicContact CG1-CD1 3.8Å; V478-F612 HydrophobicContact CG1-CE1 4.49Å; V478-F612 HydrophobicContact CG1-CG 3.93Å; V478-F612 HydrophobicContact CG2-CD1 3.74Å; V478-F612 HydrophobicContact CG2-CD2 4.23Å; V478-F612 HydrophobicContact CG2-CE1 3.61Å; V478-F612 HydrophobicContact CG2-CE2 4.09Å; V478-F612 HydrophobicContact CG2-CG 4.06Å; V478-F612 HydrophobicContact CG2-CZ 3.78Å; V478-F667 HydrophobicContact CG1-CE1 3.87Å; V478-F667 HydrophobicContact CG1-CE2 4.41Å; V478-F667 HydrophobicContact CG1-CZ 3.49Å; V478-F667 VanDerWaalsContact CG1-CZ 3.49Å
479	I	98.8	Very high	94.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.9	-174	-51.6	-59.1	0	0	0	109.3	F445 W464 L465 L481 L509 M563 I564	F445-I479 HydrophobicContact CD1-CD1 3.94Å; F445-I479 HydrophobicContact CE1-CD1 3.68Å; W464-I479 HydrophobicContact CH2-CG2 3.56Å; W464-I479 HydrophobicContact CZ2-CG2 4.25Å; W464-I479 HydrophobicContact CZ3-CG2 4.11Å; L465-I479 HydrophobicContact CD2-CD1 3.64Å; I479-L481 HydrophobicContact CG2-CD2 4.41Å; I479-L509 HydrophobicContact CB-CD1 4.49Å; I479-L509 HydrophobicContact CG1-CD2 4.26Å; I479-L509 HydrophobicContact CG2-CD1 4.14Å; I479-L509 HydrophobicContact CG2-CD2 4.05Å; I479-M563 CarbonylContact O-C 3.59Å; I479-M563 VanDerWaalsContact O-CA 3.28Å; I479-M563 WeakPolarHBondContact O-CA 3.38Å; I479-I564 PolarHBondContact N-O 3.27Å; I479-I564 PolarHBondContact O-N 2.93Å
480	G	98.7	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.7	178	0	0	0	0	0	113	G447 T448 W449 M562 N614	G447-G480 PolarHBondContact O-N 2.96Å; T448-G480 WeakPolarHBondContact CA-O 3.16Å; T448-G480 WeakPolarHBondContact CB-O 3.35Å; T448-G480 PolarHBondContact OG1-O 2.85Å; W449-G480 PolarHBondContact N-O 3.42Å; G480-M562 CarbonylContact C-O 3.51Å; G480-M562 VanDerWaalsContact CA-O 3.28Å; G480-M562 WeakPolarHBondContact CA-O 3.4Å; G480-N614 VanDerWaalsContact CA-ND2 3.3Å; G480-N614 WeakPolarHBondContact CA-ND2 3.38Å
481	L	98.3	Very high	92.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	147.8	175.7	-56	-174.8	0	0	0	110.9	W449 V451 W464 I479 L484 W505 I561 M562 N614	W449-L481 HydrophobicContact CB-CD2 3.9Å; W449-L481 VanDerWaalsContact O-CA 3.3Å; W449-L481 WeakPolarHBondContact O-CA 3.31Å; V451-L481 HydrophobicContact CG1-CD1 4.41Å; V451-L481 HydrophobicContact CG1-CD2 3.99Å; W464-L481 HydrophobicContact CH2-CD2 3.8Å; W464-L481 HydrophobicContact CZ3-CD2 4.42Å; I479-L481 HydrophobicContact CG2-CD2 4.41Å; L481-L484 HydrophobicContact CB-CD1 4.31Å; L481-L484 HydrophobicContact CD1-CD1 3.74Å; L481-W505 HydrophobicContact CD1-CB 4.04Å; L481-W505 HydrophobicContact CD1-CD2 3.67Å; L481-W505 HydrophobicContact CD1-CE3 3.91Å; L481-W505 HydrophobicContact CD1-CG 3.73Å; L481-I561 WeakPolarHBondContact O-CA 3.5Å; L481-M562 HydrophobicContact CD1-CE 3.71Å; L481-M562 HydrophobicContact CG-CE 4.28Å; L481-M562 PolarHBondContact N-O 2.95Å; L481-M562 PolarHBondContact O-N 3.1Å; L481-N614 PolarHBondContact N-ND2 2.93Å; L481-N614 PolarHBondContact O-ND2 3.47Å; L481-N614 VanDerWaalsContact O-ND2 3.17Å
482	Q	98.3	Very high	91.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.1	169.4	-52.8	78.5	30.1	0	0	109.9	T448 W449 N450 V451 L484 G560 N614 H616 G668 D669	T448-Q482 PolarHBondContact OG1-NE2 3.18Å; W449-Q482 PolarHBondContact O-N 3.14Å; W449-Q482 VanDerWaalsContact O-N 3.1Å; W449-Q482 PolarHBondContact O-OE1 3.35Å; N450-Q482 WeakPolarHBondContact CA-O 3.5Å; N450-Q482 HydrophobicContact CB-CB 4.24Å; N450-Q482 VanDerWaalsContact N-OE1 3.12Å; V451-Q482 WeakPolarHBondContact CG2-O 3.35Å; V451-Q482 PolarHBondContact N-O 3.14Å; Q482-L484 PolarHBondContact O-N 2.94Å; Q482-G560 CarbonylContact C-O 3.55Å; Q482-G560 VanDerWaalsContact C-O 3.29Å; Q482-G560 WeakPolarHBondContact CA-O 3.09Å; Q482-N614 PolarHBondContact NE2-OD1 3.03Å; Q482-H616 HydrophobicContact CB-CB 4.27Å; Q482-H616 HydrophobicContact CG-CB 3.84Å; Q482-G668 VanDerWaalsContact NE2-CA 3.27Å; Q482-D669 HydrophobicContact CB-CB 4.46Å; Q482-D669 HydrophobicContact CG-CB 4.06Å
483	E	96.5	Very high	90.4	Very high	39 Å²	39	37.4 Å²	37.4	18%	0.182	18%	0.181	C	C	.	.	S	Bend	trans	55.1	33.8	-176.4	-56.2	-166	-175	0	0	113.5	N450 G453 D485 L486 G560 H616	N450-E483 PolarHBondContact ND2-OE1 3.03Å; N450-E483 WeakPolarHBondContact OD1-CB 3.48Å; N450-E483 WeakPolarHBondContact OD1-CG 3.16Å; G453-E483 WeakPolarHBondContact CA-O 3.39Å; G453-E483 PolarHBondContact N-O 2.85Å; E483-D485 PolarHBondContact O-N 2.81Å; E483-L486 HydrophobicContact CB-CD2 3.75Å; E483-L486 HydrophobicContact CB-CG 4.28Å; E483-L486 HydrophobicContact CG-CD2 3.95Å; E483-G560 PolarHBondContact N-O 2.84Å; E483-H616 VanDerWaalsContact CG-CE1 3.44Å; E483-H616 WeakPolarHBondContact CG-CE1 3.31Å; E483-H616 IonicContact OE1-CE1 3.81Å; E483-H616 PolarHBondContact OE1-CE1 2.98Å; E483-H616 VanDerWaalsContact OE1-CE1 3.26Å; E483-H616 IonicContact OE1-NE2 3.09Å
484	L	94.6	Very high	89.6	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-54.6	-38.4	178.4	-167.2	72.8	0	0	0	112.8	V451 L481 Q482 E502 W505 G560 M562	V451-L484 HydrophobicContact CG2-CD1 4.26Å; L481-L484 HydrophobicContact CB-CD1 4.31Å; L481-L484 HydrophobicContact CD1-CD1 3.74Å; Q482-L484 PolarHBondContact O-N 2.94Å; L484-E502 HydrophobicContact CD2-CB 3.85Å; L484-W505 HydrophobicContact CD1-CB 4.41Å; L484-W505 HydrophobicContact CD1-CG 3.86Å; L484-G560 WeakPolarHBondContact CB-O 3.04Å; L484-G560 PolarHBondContact N-O 3.15Å; L484-M562 HydrophobicContact CD1-CE 4.06Å; L484-M562 HydrophobicContact CD2-CB 4.12Å; L484-M562 HydrophobicContact CD2-CE 3.93Å; L484-M562 HydrophobicContact CD2-SD 3.77Å
485	D	89.1	Confident	88.6	Confident	8 Å²	8	43 Å²	43	4%	0.043	21%	0.207	C	C	.	.			trans	-144.5	113.2	-179.7	-167.5	-26.4	0	0	0	109.6	E483 R487 V490	E483-D485 PolarHBondContact O-N 2.81Å; D485-R487 VanDerWaalsContact OD1-CB 3.25Å; D485-R487 WeakPolarHBondContact OD1-CB 3.4Å; D485-R487 WeakPolarHBondContact OD1-CG 3.27Å; D485-R487 IonicContact OD1-CZ 3.99Å; D485-R487 PolarHBondContact OD1-N 2.99Å; D485-R487 IonicContact OD1-NE 3.13Å; D485-R487 PolarHBondContact OD1-NE 2.99Å; D485-R487 IonicContact OD1-NH2 3.08Å; D485-R487 IonicContact OD2-CZ 3.84Å; D485-R487 VanDerWaalsContact OD2-CZ 3.27Å; D485-R487 IonicContact OD2-NE 3.45Å; D485-R487 PolarHBondContact OD2-NE 2.83Å; D485-R487 VanDerWaalsContact OD2-NE 3.09Å; D485-R487 IonicContact OD2-NH2 2.73Å; D485-R487 PolarHBondContact OD2-NH2 3.15Å; D485-V490 HydrophobicContact CB-CG1 4.11Å
486	L	88.3	Confident	87.5	Confident	80 Å²	80	43.7 Å²	43.7	42%	0.419	21%	0.212	S	C	.	.			trans	-91	2.5	-176.2	-68.8	177.4	0	0	0	113.2	E483 L488	E483-L486 HydrophobicContact CB-CD2 3.75Å; E483-L486 HydrophobicContact CB-CG 4.28Å; E483-L486 HydrophobicContact CG-CD2 3.95Å; L486-L488 PolarHBondContact O-N 2.81Å
487	R	87.3	Confident	86.4	Confident	142 Å²	142	46.9 Å²	46.9	54%	0.536	24%	0.235	S	C	.	.			trans	-64.5	130.3	179.6	-66.5	178.1	-66.8	179.6	-2.1	110	D485 K489 V490 I491	D485-R487 VanDerWaalsContact OD1-CB 3.25Å; D485-R487 WeakPolarHBondContact OD1-CB 3.4Å; D485-R487 WeakPolarHBondContact OD1-CG 3.27Å; D485-R487 IonicContact OD1-CZ 3.99Å; D485-R487 PolarHBondContact OD1-N 2.99Å; D485-R487 IonicContact OD1-NE 3.13Å; D485-R487 PolarHBondContact OD1-NE 2.99Å; D485-R487 IonicContact OD1-NH2 3.08Å; D485-R487 IonicContact OD2-CZ 3.84Å; D485-R487 VanDerWaalsContact OD2-CZ 3.27Å; D485-R487 IonicContact OD2-NE 3.45Å; D485-R487 PolarHBondContact OD2-NE 2.83Å; D485-R487 VanDerWaalsContact OD2-NE 3.09Å; D485-R487 IonicContact OD2-NH2 2.73Å; D485-R487 PolarHBondContact OD2-NH2 3.15Å; R487-K489 VanDerWaalsContact C-N 3.25Å; R487-K489 PolarHBondContact O-N 2.93Å; R487-K489 VanDerWaalsContact O-N 3.15Å; R487-V490 HydrophobicContact CB-CG2 4.29Å; R487-V490 WeakPolarHBondContact O-CB 3.3Å; R487-V490 PolarHBondContact O-N 3.15Å; R487-I491 PolarHBondContact O-N 2.87Å
488	L	81.9	Confident	85.3	Confident	129 Å²	129	49.9 Å²	49.9	68%	0.675	26%	0.255	S	S	*	.	H	α-helix	trans	-52.6	-42.7	-176.6	-173.7	64.9	0	0	0	112.5	L486 V490 I491 T492	L486-L488 PolarHBondContact O-N 2.81Å; L488-V490 VanDerWaalsContact C-N 3.27Å; L488-V490 PolarHBondContact O-N 2.8Å; L488-I491 WeakPolarHBondContact O-CB 3.04Å; L488-I491 PolarHBondContact O-N 3.24Å; L488-I491 VanDerWaalsContact O-N 3.12Å; L488-T492 HydrophobicContact CD1-CG2 3.88Å; L488-T492 HydrophobicContact CG-CG2 3.98Å; L488-T492 WeakPolarHBondContact O-CG2 3.45Å; L488-T492 PolarHBondContact O-N 2.84Å; L488-T492 PolarHBondContact O-OG1 2.9Å
489	K	77.8	Confident	84.3	Confident	157 Å²	157	50.2 Å²	50.2	68%	0.683	26%	0.258	S	S	*	.	H	α-helix	trans	-58.2	-35.4	177.6	-177.6	175	-179.7	175.9	0	113.4	R487 L493	R487-K489 VanDerWaalsContact C-N 3.25Å; R487-K489 PolarHBondContact O-N 2.93Å; R487-K489 VanDerWaalsContact O-N 3.15Å; K489-L493 HydrophobicContact CD-CD1 4.49Å; K489-L493 HydrophobicContact CG-CD1 3.71Å; K489-L493 HydrophobicContact CG-CG 4.48Å; K489-L493 VanDerWaalsContact O-CB 3.32Å; K489-L493 WeakPolarHBondContact O-CB 3.13Å; K489-L493 VanDerWaalsContact O-CG 3.3Å; K489-L493 WeakPolarHBondContact O-CG 3.36Å; K489-L493 PolarHBondContact O-N 2.95Å
490	V	76.2	Confident	83.7	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-71.7	-38.5	179.2	171.7	0	0	0	0	110.5	D485 R487 L488 N494 K495 A559	D485-V490 HydrophobicContact CB-CG1 4.11Å; R487-V490 HydrophobicContact CB-CG2 4.29Å; R487-V490 WeakPolarHBondContact O-CB 3.3Å; R487-V490 PolarHBondContact O-N 3.15Å; L488-V490 VanDerWaalsContact C-N 3.27Å; L488-V490 PolarHBondContact O-N 2.8Å; V490-N494 PolarHBondContact O-N 2.83Å; V490-K495 HydrophobicContact CG1-CB 4.21Å; V490-K495 PolarHBondContact O-N 3.15Å; V490-A559 HydrophobicContact CG1-CB 4.4Å
491	I	74	Confident	83.2	Confident	26 Å²	26	53.5 Å²	53.5	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-70.8	-50.6	178.6	-69.4	169.4	0	0	0	111.5	R487 L488 L493 N494 A559 N595	R487-I491 PolarHBondContact O-N 2.87Å; L488-I491 WeakPolarHBondContact O-CB 3.04Å; L488-I491 PolarHBondContact O-N 3.24Å; L488-I491 VanDerWaalsContact O-N 3.12Å; I491-L493 VanDerWaalsContact C-N 3.31Å; I491-L493 PolarHBondContact O-N 2.78Å; I491-N494 PolarHBondContact O-N 2.9Å; I491-N494 VanDerWaalsContact O-N 3.16Å; I491-N494 PolarHBondContact O-OD1 2.83Å; I491-N494 VanDerWaalsContact O-OD1 3.06Å; I491-A559 HydrophobicContact CG1-CB 4.49Å; I491-N595 HydrophobicContact CD1-CB 4.48Å; I491-N595 HydrophobicContact CG2-CB 3.61Å
492	T	70.5	Confident	82.9	Confident	63 Å²	63	53.6 Å²	53.6	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-68.3	-31.3	-174.4	52.3	0	0	0	0	112.6	L488 N494 L593	L488-T492 HydrophobicContact CD1-CG2 3.88Å; L488-T492 HydrophobicContact CG-CG2 3.98Å; L488-T492 WeakPolarHBondContact O-CG2 3.45Å; L488-T492 PolarHBondContact O-N 2.84Å; L488-T492 PolarHBondContact O-OG1 2.9Å; T492-N494 VanDerWaalsContact C-N 3.32Å; T492-L593 HydrophobicContact CG2-CD1 4.45Å
493	L	78.2	Confident	82.5	Confident	113 Å²	113	57.5 Å²	57.5	59%	0.592	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2.8	176.7	-62.1	176.4	0	0	0	113.5	K489 I491 K495	K489-L493 HydrophobicContact CD-CD1 4.49Å; K489-L493 HydrophobicContact CG-CD1 3.71Å; K489-L493 HydrophobicContact CG-CG 4.48Å; K489-L493 VanDerWaalsContact O-CB 3.32Å; K489-L493 WeakPolarHBondContact O-CB 3.13Å; K489-L493 VanDerWaalsContact O-CG 3.3Å; K489-L493 WeakPolarHBondContact O-CG 3.36Å; K489-L493 PolarHBondContact O-N 2.95Å; I491-L493 VanDerWaalsContact C-N 3.31Å; I491-L493 PolarHBondContact O-N 2.78Å; L493-K495 PolarHBondContact O-N 2.93Å
494	N	79.9	Confident	82.4	Confident	38 Å²	38	58.3 Å²	58.3	20%	0.203	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	36.2	-172.8	-66.3	-15.8	0	0	0	112.5	V490 I491 T492 T496 L558 V592 L593 G594	V490-N494 PolarHBondContact O-N 2.83Å; I491-N494 PolarHBondContact O-N 2.9Å; I491-N494 VanDerWaalsContact O-N 3.16Å; I491-N494 PolarHBondContact O-OD1 2.83Å; I491-N494 VanDerWaalsContact O-OD1 3.06Å; T492-N494 VanDerWaalsContact C-N 3.32Å; N494-T496 VanDerWaalsContact O-CG2 3.29Å; N494-T496 WeakPolarHBondContact O-CG2 3.49Å; N494-T496 PolarHBondContact O-N 3.09Å; N494-L558 HydrophobicContact CB-CD1 3.98Å; N494-V592 PolarHBondContact ND2-O 3.21Å; N494-L593 WeakPolarHBondContact OD1-CA 3.49Å; N494-G594 WeakPolarHBondContact OD1-CA 3.29Å; N494-G594 PolarHBondContact OD1-N 2.87Å
495	K	77.3	Confident	82.4	Confident	79 Å²	79	58.3 Å²	58.3	34%	0.343	31%	0.314	S	S	.	.			trans	-51.1	136.2	-166.4	-165.9	-175	-179.6	-166.3	0	108.3	V490 L493 S498 R557 A559	V490-K495 HydrophobicContact CG1-CB 4.21Å; V490-K495 PolarHBondContact O-N 3.15Å; L493-K495 PolarHBondContact O-N 2.93Å; K495-S498 PolarHBondContact NZ-O 3.12Å; K495-R557 PolarHBondContact O-NH1 3.32Å; K495-R557 PolarHBondContact O-NH2 3.33Å; K495-A559 PolarHBondContact O-N 3.01Å
496	T	76.5	Confident	82.7	Confident	32 Å²	32	58.6 Å²	58.6	20%	0.196	32%	0.316	C	S	.	.			trans	-117	-17.8	178.7	61.7	0	0	0	0	112.8	N494 R555 R557 I584	N494-T496 VanDerWaalsContact O-CG2 3.29Å; N494-T496 WeakPolarHBondContact O-CG2 3.49Å; N494-T496 PolarHBondContact O-N 3.09Å; T496-R555 PolarHBondContact O-NH1 2.83Å; T496-R555 PolarHBondContact O-NH2 3.47Å; T496-R557 VanDerWaalsContact CA-NH2 3.34Å; T496-R557 WeakPolarHBondContact CG2-O 3.24Å; T496-I584 HydrophobicContact CG2-CD1 3.69Å
497	S	74.7	Confident	83	Confident	68 Å²	68	59 Å²	59	48%	0.476	32%	0.315	S	S	.	.	S	Bend	trans	-73.7	149.7	177.7	-27.1	0	0	0	0	112.6	R557	S497-R557 PolarHBondContact O-NH2 3.08Å
498	S	74.8	Confident	83.3	Confident	62 Å²	62	53.4 Å²	53.4	43%	0.434	30%	0.296	S	S	.	.			trans	-48.6	150.4	-176.4	54.1	0	0	0	0	115.1	K495 E502	K495-S498 PolarHBondContact NZ-O 3.12Å; S498-E502 VanDerWaalsContact CA-OE2 3.32Å; S498-E502 WeakPolarHBondContact CA-OE2 3.19Å
499	S	78.8	Confident	84	Confident	7 Å²	7	47.3 Å²	47.3	5%	0.049	26%	0.263	C	S	.	.			trans	-127.8	156.4	173.9	73.3	0	0	0	0	109.5	P501 E502 D503	S499-P501 VanDerWaalsContact C-N 3.31Å; S499-E502 WeakPolarHBondContact O-CA 3.27Å; S499-E502 VanDerWaalsContact O-CB 3.3Å; S499-E502 WeakPolarHBondContact O-CB 3.17Å; S499-E502 PolarHBondContact O-N 3.04Å; S499-E502 PolarHBondContact OG-N 3.07Å; S499-D503 PolarHBondContact O-N 3.17Å
500	G	86.3	Confident	84.8	Confident	46 Å²	46	41.5 Å²	41.5	47%	0.474	24%	0.239	S	C	.	.	H	α-helix	trans	-50.8	-45.3	176.1	0	0	0	0	0	113.7	E502 D503 L504	G500-E502 VanDerWaalsContact C-N 3.34Å; G500-E502 PolarHBondContact O-N 3.03Å; G500-D503 PolarHBondContact O-N 3.21Å; G500-L504 WeakPolarHBondContact O-CG 3.48Å; G500-L504 PolarHBondContact O-N 2.98Å; G500-L504 VanDerWaalsContact O-N 3.16Å
501	P	88.6	Confident	85.6	Confident	26 Å²	26	45.2 Å²	45.2	17%	0.169	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-40.7	172.3	-27.4	35.5	0	0	0	114.1	N455 S499 L504 W505	N455-P501 HydrophobicContact CB-CB 4.48Å; S499-P501 VanDerWaalsContact C-N 3.31Å; P501-L504 PolarHBondContact O-N 3.25Å; P501-W505 PolarHBondContact O-N 3.36Å
502	E	90.9	Very high	86.5	Confident	3 Å²	3	44.2 Å²	44.2	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-48.6	177.1	168	173.3	169.3	0	0	111.7	L484 S498 S499 G500 L504 W505 I506 R555 R557 M562	L484-E502 HydrophobicContact CD2-CB 3.85Å; S498-E502 VanDerWaalsContact CA-OE2 3.32Å; S498-E502 WeakPolarHBondContact CA-OE2 3.19Å; S499-E502 WeakPolarHBondContact O-CA 3.27Å; S499-E502 VanDerWaalsContact O-CB 3.3Å; S499-E502 WeakPolarHBondContact O-CB 3.17Å; S499-E502 PolarHBondContact O-N 3.04Å; S499-E502 PolarHBondContact OG-N 3.07Å; G500-E502 VanDerWaalsContact C-N 3.34Å; G500-E502 PolarHBondContact O-N 3.03Å; E502-L504 VanDerWaalsContact C-N 3.33Å; E502-L504 PolarHBondContact O-N 2.93Å; E502-W505 PolarHBondContact O-N 3.16Å; E502-I506 HydrophobicContact CG-CD1 3.87Å; E502-I506 WeakPolarHBondContact O-CG1 3.33Å; E502-I506 PolarHBondContact O-N 3.46Å; E502-R555 WeakPolarHBondContact OE1-CD 3.38Å; E502-R555 IonicContact OE1-CZ 2.61Å; E502-R555 IonicContact OE1-NH1 3.54Å; E502-R555 PolarHBondContact OE1-NH1 2.97Å; E502-R555 VanDerWaalsContact OE1-NH1 3.08Å; E502-R557 WeakPolarHBondContact OE2-CD 3.36Å; E502-R557 IonicContact OE2-CZ 3.3Å; E502-R557 IonicContact OE2-NE 2.66Å; E502-R557 PolarHBondContact OE2-NE 2.78Å; E502-M562 HydrophobicContact CB-SD 4.28Å; E502-M562 HydrophobicContact CG-SD 3.64Å
503	D	91.5	Very high	87.7	Confident	81 Å²	81	41.3 Å²	41.3	43%	0.433	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-38.9	-178.1	-59.9	-34.8	0	0	0	111.5	S499 G500 I506 Q507	S499-D503 PolarHBondContact O-N 3.17Å; G500-D503 PolarHBondContact O-N 3.21Å; D503-I506 PolarHBondContact O-N 2.91Å; D503-Q507 WeakPolarHBondContact O-CB 3.14Å; D503-Q507 PolarHBondContact O-N 3.42Å
504	L	93.8	Very high	88.3	Confident	57 Å²	57	37.6 Å²	37.6	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-43.1	175.1	-70.1	172	0	0	0	112.1	N455 G500 P501 E502 Q507 Q508	N455-L504 HydrophobicContact CB-CD1 4.06Å; N455-L504 WeakPolarHBondContact O-CB 3.46Å; G500-L504 WeakPolarHBondContact O-CG 3.48Å; G500-L504 PolarHBondContact O-N 2.98Å; G500-L504 VanDerWaalsContact O-N 3.16Å; P501-L504 PolarHBondContact O-N 3.25Å; E502-L504 VanDerWaalsContact C-N 3.33Å; E502-L504 PolarHBondContact O-N 2.93Å; L504-Q507 PolarHBondContact O-N 2.9Å; L504-Q508 WeakPolarHBondContact O-CG 3.4Å; L504-Q508 PolarHBondContact O-N 3.21Å
505	W	95.1	Very high	88.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-41.7	176.1	-84.7	106.1	0	0	0	112.2	W449 V451 R454 L459 L461 L481 L484 P501 E502 Q507 Q508 L509 M562	W449-W505 AromaticContact CE3-CH2 3.7Å; W449-W505 HydrophobicContact CE3-CH2 3.7Å; W449-W505 AromaticContact CE3-CZ3 3.91Å; W449-W505 HydrophobicContact CE3-CZ3 3.91Å; W449-W505 AromaticContact CH2-CH2 3.94Å; W449-W505 HydrophobicContact CH2-CH2 3.94Å; W449-W505 AromaticContact CZ3-CH2 3.34Å; W449-W505 HydrophobicContact CZ3-CH2 3.34Å; W449-W505 AromaticContact CZ3-CZ3 3.65Å; W449-W505 HydrophobicContact CZ3-CZ3 3.65Å; V451-W505 HydrophobicContact CB-CH2 4.4Å; V451-W505 HydrophobicContact CB-CZ2 3.69Å; V451-W505 HydrophobicContact CG1-CH2 3.68Å; V451-W505 HydrophobicContact CG1-CZ2 3.37Å; V451-W505 HydrophobicContact CG1-CZ3 4.44Å; V451-W505 HydrophobicContact CG2-CZ2 4.24Å; R454-W505 PolarHBondContact O-NE1 2.91Å; L459-W505 HydrophobicContact CD2-CH2 4.41Å; L461-W505 HydrophobicContact CD1-CE3 4.42Å; L461-W505 HydrophobicContact CD1-CZ3 4.34Å; L461-W505 HydrophobicContact CD2-CZ3 4.04Å; L481-W505 HydrophobicContact CD1-CB 4.04Å; L481-W505 HydrophobicContact CD1-CD2 3.67Å; L481-W505 HydrophobicContact CD1-CE3 3.91Å; L481-W505 HydrophobicContact CD1-CG 3.73Å; L484-W505 HydrophobicContact CD1-CB 4.41Å; L484-W505 HydrophobicContact CD1-CG 3.86Å; P501-W505 PolarHBondContact O-N 3.36Å; E502-W505 PolarHBondContact O-N 3.16Å; W505-Q507 VanDerWaalsContact C-N 3.35Å; W505-Q508 PolarHBondContact O-N 3.11Å; W505-L509 WeakPolarHBondContact O-CB 3.43Å; W505-L509 VanDerWaalsContact O-CG 3.25Å; W505-L509 WeakPolarHBondContact O-CG 3.34Å; W505-L509 PolarHBondContact O-N 2.79Å; W505-M562 HydrophobicContact CB-CE 4.38Å
506	I	94.5	Very high	89.7	Confident	14 Å²	14	33 Å²	33	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-47.2	174.8	-71.9	168.3	0	0	0	110.3	E502 D503 Q508 L509 E510 R552 I564	E502-I506 HydrophobicContact CG-CD1 3.87Å; E502-I506 WeakPolarHBondContact O-CG1 3.33Å; E502-I506 PolarHBondContact O-N 3.46Å; D503-I506 PolarHBondContact O-N 2.91Å; I506-Q508 PolarHBondContact O-N 2.94Å; I506-L509 PolarHBondContact O-N 3.28Å; I506-E510 HydrophobicContact CG2-CG 4.45Å; I506-E510 WeakPolarHBondContact CG2-OE1 3.45Å; I506-E510 WeakPolarHBondContact O-CB 3.38Å; I506-E510 WeakPolarHBondContact O-CG 3.33Å; I506-E510 PolarHBondContact O-N 3.43Å; I506-R552 VanDerWaalsContact CG2-NH1 3.31Å; I506-I564 HydrophobicContact CD1-CD1 4.13Å; I506-I564 HydrophobicContact CG1-CD1 3.47Å; I506-I564 VanDerWaalsContact CG1-CD1 3.47Å
507	Q	93.9	Very high	90.6	Very high	89 Å²	89	31.6 Å²	31.6	42%	0.416	20%	0.197	S	C	.	.	H	α-helix	trans	-57.4	-48.8	178.2	-178.8	-177.5	-8.9	0	0	111.4	D503 L504 W505 L509 E510 E511	D503-Q507 WeakPolarHBondContact O-CB 3.14Å; D503-Q507 PolarHBondContact O-N 3.42Å; L504-Q507 PolarHBondContact O-N 2.9Å; W505-Q507 VanDerWaalsContact C-N 3.35Å; Q507-L509 VanDerWaalsContact C-N 3.34Å; Q507-L509 PolarHBondContact O-N 2.92Å; Q507-E510 PolarHBondContact O-N 2.85Å; Q507-E511 HydrophobicContact CG-CG 4.37Å; Q507-E511 VanDerWaalsContact CG-OE1 3.26Å; Q507-E511 WeakPolarHBondContact CG-OE1 3.37Å; Q507-E511 PolarHBondContact NE2-OE1 3.19Å; Q507-E511 WeakPolarHBondContact O-CB 3.32Å; Q507-E511 WeakPolarHBondContact O-CG 3.34Å; Q507-E511 PolarHBondContact O-N 2.83Å
508	Q	94.8	Very high	91.5	Very high	25 Å²	25	32.6 Å²	32.6	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-38.7	179.2	-64.9	-57.7	108.8	0	0	112.6	G456 L459 L461 L504 W505 I506 E510 E511 A512	G456-Q508 VanDerWaalsContact O-CG 3.31Å; G456-Q508 WeakPolarHBondContact O-CG 3.33Å; L459-Q508 VanDerWaalsContact N-NE2 3.2Å; L459-Q508 PolarHBondContact O-NE2 3.46Å; L461-Q508 HydrophobicContact CD1-CB 3.7Å; L461-Q508 HydrophobicContact CG-CB 4.32Å; L504-Q508 WeakPolarHBondContact O-CG 3.4Å; L504-Q508 PolarHBondContact O-N 3.21Å; W505-Q508 PolarHBondContact O-N 3.11Å; I506-Q508 PolarHBondContact O-N 2.94Å; Q508-E510 VanDerWaalsContact C-N 3.33Å; Q508-E511 PolarHBondContact O-N 2.72Å; Q508-A512 WeakPolarHBondContact O-CB 3.33Å; Q508-A512 PolarHBondContact O-N 3.04Å; Q508-A512 VanDerWaalsContact O-N 3.11Å
509	L	95.8	Very high	92.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-43.5	175.6	-73.1	168.3	0	0	0	110.9	L461 W464 L465 I479 W505 I506 Q507 I564	L461-L509 HydrophobicContact CD1-CD2 3.68Å; L461-L509 HydrophobicContact CD1-CG 3.93Å; W464-L509 HydrophobicContact CZ3-CD2 4.21Å; L465-L509 HydrophobicContact CD1-CD2 3.99Å; L465-L509 HydrophobicContact CD2-CD2 4.29Å; I479-L509 HydrophobicContact CB-CD1 4.49Å; I479-L509 HydrophobicContact CG1-CD2 4.26Å; I479-L509 HydrophobicContact CG2-CD1 4.14Å; I479-L509 HydrophobicContact CG2-CD2 4.05Å; W505-L509 WeakPolarHBondContact O-CB 3.43Å; W505-L509 VanDerWaalsContact O-CG 3.25Å; W505-L509 WeakPolarHBondContact O-CG 3.34Å; W505-L509 PolarHBondContact O-N 2.79Å; I506-L509 PolarHBondContact O-N 3.28Å; Q507-L509 VanDerWaalsContact C-N 3.34Å; Q507-L509 PolarHBondContact O-N 2.92Å; L509-I564 HydrophobicContact CD1-CD1 4.14Å
510	E	95.1	Very high	92.4	Very high	36 Å²	36	35.7 Å²	35.7	17%	0.168	21%	0.211	C	C	.	.	H	α-helix	trans	-75.2	-25.1	-179.1	-70.3	175.3	-171	0	0	112.6	I506 Q507 Q508 G515 K518 R552 Y566	I506-E510 HydrophobicContact CG2-CG 4.45Å; I506-E510 WeakPolarHBondContact CG2-OE1 3.45Å; I506-E510 WeakPolarHBondContact O-CB 3.38Å; I506-E510 WeakPolarHBondContact O-CG 3.33Å; I506-E510 PolarHBondContact O-N 3.43Å; Q507-E510 PolarHBondContact O-N 2.85Å; Q508-E510 VanDerWaalsContact C-N 3.33Å; E510-G515 VanDerWaalsContact O-CA 3.29Å; E510-G515 WeakPolarHBondContact O-CA 3.44Å; E510-K518 HydrophobicContact CB-CG 4.06Å; E510-K518 VanDerWaalsContact O-CE 3.27Å; E510-K518 WeakPolarHBondContact O-CE 3.5Å; E510-K518 WeakPolarHBondContact O-CG 3.34Å; E510-R552 IonicContact OE1-CZ 3.96Å; E510-R552 IonicContact OE1-NH1 3.06Å; E510-R552 PolarHBondContact OE1-NH1 3.38Å; E510-Y566 HydrophobicContact CG-CE1 3.91Å; E510-Y566 WeakPolarHBondContact CG-OH 3.33Å; E510-Y566 PolarHBondContact OE1-OH 3.31Å; E510-Y566 VanDerWaalsContact OE1-OH 3.05Å
511	E	92.6	Very high	91.9	Very high	85 Å²	85	38.1 Å²	38.1	40%	0.397	22%	0.216	S	C	.	.	H	α-helix	trans	-81	-24.4	174.2	-74.4	176.9	-174.3	0	0	114	Q507 Q508 G515	Q507-E511 HydrophobicContact CG-CG 4.37Å; Q507-E511 VanDerWaalsContact CG-OE1 3.26Å; Q507-E511 WeakPolarHBondContact CG-OE1 3.37Å; Q507-E511 PolarHBondContact NE2-OE1 3.19Å; Q507-E511 WeakPolarHBondContact O-CB 3.32Å; Q507-E511 WeakPolarHBondContact O-CG 3.34Å; Q507-E511 PolarHBondContact O-N 2.83Å; Q508-E511 PolarHBondContact O-N 2.72Å; E511-G515 PolarHBondContact O-N 3.38Å; E511-G515 VanDerWaalsContact O-N 3.08Å
512	A	94	Very high	90.1	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	155.8	-179.3	0	0	0	0	0	113.3	L461 D462 L465 Q508 G514 G515 L516	L461-A512 HydrophobicContact CB-CB 3.99Å; D462-A512 VanDerWaalsContact OD1-CA 3.29Å; D462-A512 WeakPolarHBondContact OD1-CA 3.35Å; L465-A512 HydrophobicContact CD1-CB 3.6Å; Q508-A512 WeakPolarHBondContact O-CB 3.33Å; Q508-A512 PolarHBondContact O-N 3.04Å; Q508-A512 VanDerWaalsContact O-N 3.11Å; A512-G514 PolarHBondContact O-N 3.18Å; A512-G515 PolarHBondContact O-N 3.41Å; A512-L516 PolarHBondContact O-N 3.43Å
513	L	94.3	Very high	88.1	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	52.8	37.3	-179	-58.7	175.2	0	0	0	112.5	D462 L465 I466 L516 F538 A539	D462-L513 HydrophobicContact CB-CD2 3.89Å; D462-L513 PolarHBondContact OD1-N 3.35Å; L465-L513 HydrophobicContact CB-CD1 3.92Å; L465-L513 HydrophobicContact CB-CG 4.39Å; I466-L513 HydrophobicContact CB-CD2 4.08Å; I466-L513 HydrophobicContact CG1-CD2 4.29Å; L513-L516 HydrophobicContact CB-CB 3.83Å; L513-L516 HydrophobicContact CB-CD2 4.23Å; L513-L516 HydrophobicContact CD1-CD2 3.76Å; L513-F538 HydrophobicContact CB-CD1 3.89Å; L513-F538 HydrophobicContact CB-CE1 4.37Å; L513-F538 HydrophobicContact CD1-CD1 4.44Å; L513-F538 HydrophobicContact CD1-CE1 4.1Å; L513-A539 PolarHBondContact O-N 2.99Å
514	G	90.7	Very high	86.1	Confident	35 Å²	35	51 Å²	51	36%	0.361	29%	0.292	S	S	.	.	H	α-helix	trans	73.5	27.1	-179.3	0	0	0	0	0	114	A512	A512-G514 PolarHBondContact O-N 3.18Å
515	G	92.9	Very high	83.5	Confident	16 Å²	16	54.9 Å²	54.9	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	86.1	21.5	-177.2	0	0	0	0	0	114	E510 E511 A512 L517 K518	E510-G515 VanDerWaalsContact O-CA 3.29Å; E510-G515 WeakPolarHBondContact O-CA 3.44Å; E511-G515 PolarHBondContact O-N 3.38Å; E511-G515 VanDerWaalsContact O-N 3.08Å; A512-G515 PolarHBondContact O-N 3.41Å; G515-L517 VanDerWaalsContact C-N 3.29Å; G515-L517 PolarHBondContact O-N 3.38Å; G515-K518 WeakPolarHBondContact O-CB 3.39Å; G515-K518 PolarHBondContact O-N 2.82Å; G515-K518 VanDerWaalsContact O-N 3.11Å
516	L	94.6	Very high	81.2	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.016	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-45.3	-174.5	-179.8	74.8	0	0	0	111.9	P473 A512 L513 K518 F538 A539 T546 Y550	P473-L516 HydrophobicContact CB-CD2 4.12Å; P473-L516 HydrophobicContact CG-CD2 4.37Å; A512-L516 PolarHBondContact O-N 3.43Å; L513-L516 HydrophobicContact CB-CB 3.83Å; L513-L516 HydrophobicContact CB-CD2 4.23Å; L513-L516 HydrophobicContact CD1-CD2 3.76Å; L516-K518 PolarHBondContact O-N 2.95Å; L516-F538 HydrophobicContact CD1-CD1 4.4Å; L516-F538 HydrophobicContact CD1-CE1 4.43Å; L516-F538 HydrophobicContact CD2-CD1 4.32Å; L516-F538 HydrophobicContact CD2-CE1 3.9Å; L516-A539 HydrophobicContact CB-CB 4.27Å; L516-A539 HydrophobicContact CD1-CB 4.34Å; L516-T546 HydrophobicContact CD1-CG2 4.26Å; L516-Y550 HydrophobicContact CD1-CE2 4Å; L516-Y550 HydrophobicContact CD2-CE2 4.16Å; L516-Y550 HydrophobicContact CG-CD2 4.17Å; L516-Y550 HydrophobicContact CG-CE2 3.73Å; L516-Y550 WeakPolarHBondContact O-CD2 3.35Å
517	L	96	Very high	78.6	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.1	-175.2	-62.4	-175.8	0	0	0	113.9	L465 Y477 G515 Y550 Y566	L465-L517 HydrophobicContact CD1-CD1 4.37Å; Y477-L517 HydrophobicContact CD1-CD2 4.5Å; Y477-L517 HydrophobicContact CD2-CD2 3.77Å; Y477-L517 HydrophobicContact CE2-CD2 4.23Å; Y477-L517 HydrophobicContact CG-CD2 3.92Å; G515-L517 VanDerWaalsContact C-N 3.29Å; G515-L517 PolarHBondContact O-N 3.38Å; L517-Y550 HydrophobicContact CD2-CD1 3.94Å; L517-Y550 HydrophobicContact CD2-CD2 3.96Å; L517-Y550 HydrophobicContact CD2-CE1 4.31Å; L517-Y550 HydrophobicContact CD2-CE2 4.29Å; L517-Y550 HydrophobicContact CD2-CG 3.79Å; L517-Y566 HydrophobicContact CB-CD1 4.24Å; L517-Y566 HydrophobicContact CB-CE1 4.36Å; L517-Y566 HydrophobicContact CD1-CD2 4.09Å; L517-Y566 HydrophobicContact CD1-CE2 4.2Å; L517-Y566 HydrophobicContact CD1-CG 4.44Å; L517-Y566 HydrophobicContact CD2-CG 4.43Å
518	K	93	Very high	75.9	Confident	89 Å²	89	71.2 Å²	71.2	39%	0.387	39%	0.393	S	S	.	.	S	Bend	trans	-74.9	152.5	174.7	-72.8	175.7	-178.9	-178.1	0	111.4	E510 G515 L516 G549 Y550	E510-K518 HydrophobicContact CB-CG 4.06Å; E510-K518 VanDerWaalsContact O-CE 3.27Å; E510-K518 WeakPolarHBondContact O-CE 3.5Å; E510-K518 WeakPolarHBondContact O-CG 3.34Å; G515-K518 WeakPolarHBondContact O-CB 3.39Å; G515-K518 PolarHBondContact O-N 2.82Å; G515-K518 VanDerWaalsContact O-N 3.11Å; L516-K518 PolarHBondContact O-N 2.95Å; K518-G549 WeakPolarHBondContact O-CA 3.09Å; K518-Y550 CarbonylContact C-O 3.29Å; K518-Y550 VanDerWaalsContact C-O 3.29Å; K518-Y550 PolarHBondContact O-N 2.84Å
519	P	89.9	Confident	73.3	Confident	75 Å²	75	77.5 Å²	77.5	49%	0.487	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-60.7	150.7	171.8	25.5	-33.4	0	0	0	111.5	T521 Y550	P519-T521 PolarHBondContact O-N 2.78Å; P519-T521 VanDerWaalsContact O-N 3.11Å; P519-Y550 WeakPolarHBondContact CA-O 3.21Å
520	P	82	Confident	70.6	Confident	59 Å²	59	84.2 Å²	84.2	38%	0.383	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-55.6	119.9	171.4	-19.8	30	0	0	0	109.6	G548 A569	P520-G548 WeakPolarHBondContact CA-O 3.43Å; P520-A569 HydrophobicContact CG-CB 3.49Å; P520-A569 VanDerWaalsContact CG-CB 3.49Å
521	T	76	Confident	67.9	Low	96 Å²	96	90 Å²	90	59%	0.589	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-99	134.3	174.8	54.6	0	0	0	0	109.5	P519 K523	P519-T521 PolarHBondContact O-N 2.78Å; P519-T521 VanDerWaalsContact O-N 3.11Å; T521-K523 PolarHBondContact O-N 3.28Å
522	S	50	Low	65.8	Low	131 Å²	131	92 Å²	92	92%	0.916	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	2.1	178.3	-45	0	0	0	0	114
523	K	50.5	Low	63.9	Low	176 Å²	176	99.2 Å²	99.2	77%	0.765	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	61.1	-177.4	-64	-176	-177.8	178.1	0	110.7	T521 N525	T521-K523 PolarHBondContact O-N 3.28Å; K523-N525 PolarHBondContact O-N 2.92Å
524	S	47.8	Very low	62.4	Low	74 Å²	74	103.9 Å²	103.9	52%	0.517	57%	0.569	S	S	.	*			trans	-71.6	75.9	163.1	165.9	0	0	0	0	109	V526	S524-V526 PolarHBondContact O-N 2.78Å
525	N	39.8	Very low	60.9	Low	138 Å²	138	105.5 Å²	105.5	74%	0.738	57%	0.569	S	S	*	*			trans	-67	94.1	157.7	-75.7	-15.1	0	0	0	106	K523 T527	K523-N525 PolarHBondContact O-N 2.92Å; N525-T527 PolarHBondContact O-N 2.88Å; N525-T527 PolarHBondContact O-OG1 3.03Å
526	V	46.6	Very low	59.5	Low	104 Å²	104	111.3 Å²	111.3	63%	0.63	59%	0.589	S	S	*	*			trans	-67.3	81.4	163.2	-179.2	0	0	0	0	105.9	S524 R528	S524-V526 PolarHBondContact O-N 2.78Å; V526-R528 PolarHBondContact O-N 3.05Å
527	T	40.7	Very low	58.8	Low	105 Å²	105	115 Å²	115	64%	0.644	61%	0.609	S	S	*	*			trans	-65.7	107.3	166.3	-11.4	0	0	0	0	105.4	N525 Q529	N525-T527 PolarHBondContact O-N 2.88Å; N525-T527 PolarHBondContact O-OG1 3.03Å; T527-Q529 VanDerWaalsContact C-N 3.27Å; T527-Q529 PolarHBondContact O-N 3.05Å
528	R	37.5	Very low	58.5	Low	237 Å²	237	116.3 Å²	116.3	89%	0.894	62%	0.615	S	S	*	*			trans	-53.2	95.6	163.9	-92.1	-179.1	168.3	176.8	-3.8	107.4	V526	V526-R528 PolarHBondContact O-N 3.05Å
529	Q	40.1	Very low	58.4	Low	157 Å²	157	113 Å²	113	73%	0.734	60%	0.604	S	S	*	*			trans	-117.3	116.6	165	-75	-168.9	-20	0	0	107.6	T527 E531	T527-Q529 VanDerWaalsContact C-N 3.27Å; T527-Q529 PolarHBondContact O-N 3.05Å; Q529-E531 PolarHBondContact O-N 3.32Å; Q529-E531 VanDerWaalsContact O-N 3.11Å
530	N	38.8	Very low	58.4	Low	142 Å²	142	112 Å²	112	76%	0.759	60%	0.602	S	S	*	*			trans	-64.9	98.1	179.2	-59.7	-26.6	0	0	0	108.9
531	E	38	Very low	58.9	Low	157 Å²	157	115.7 Å²	115.7	73%	0.734	61%	0.614	S	S	*	*	S	Bend	trans	-171.8	112.6	162.2	-105.8	156.4	-151.9	0	0	110.8	Q529	Q529-E531 PolarHBondContact O-N 3.32Å; Q529-E531 VanDerWaalsContact O-N 3.11Å
532	T	47.6	Very low	59.8	Low	126 Å²	126	113.8 Å²	113.8	77%	0.773	60%	0.596	S	S	*	*			trans	51.4	80.6	-179.7	48.8	0	0	0	0	115.8	S534	T532-S534 VanDerWaalsContact C-N 3.31Å; T532-S534 PolarHBondContact O-N 3.31Å; T532-S534 VanDerWaalsContact O-N 3.14Å
533	E	54.6	Low	61.8	Low	158 Å²	158	112.6 Å²	112.6	74%	0.738	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-4.3	-163	-147.3	155.1	-162.9	0	0	116.7	N537	E533-N537 PolarHBondContact O-ND2 3.35Å
534	S	63	Low	63.7	Low	100 Å²	100	112.4 Å²	112.4	70%	0.699	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-43.2	-172.4	167.5	0	0	0	0	113.9	T532	T532-S534 VanDerWaalsContact C-N 3.31Å; T532-S534 PolarHBondContact O-N 3.31Å; T532-S534 VanDerWaalsContact O-N 3.14Å
535	I	60.5	Low	66	Low	68 Å²	68	112.4 Å²	112.4	35%	0.349	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	-35.2	-166.7	-55.6	173.3	0	0	0	112.8	D462 N537 F538	D462-I535 HydrophobicContact CB-CG2 4.43Å; D462-I535 WeakPolarHBondContact OD2-CG2 3.25Å; I535-N537 PolarHBondContact O-N 3.42Å; I535-F538 WeakPolarHBondContact O-CB 3.25Å; I535-F538 PolarHBondContact O-N 2.82Å
536	K	61.7	Low	68.5	Low	139 Å²	139	105.9 Å²	105.9	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-62.3	-25.8	170.4	-77.6	-176.1	178.7	174.4	0	112.2	F538	K536-F538 VanDerWaalsContact C-N 3.27Å; K536-F538 PolarHBondContact O-N 2.9Å
537	N	79.8	Confident	70.8	Confident	79 Å²	79	102.7 Å²	102.7	42%	0.422	52%	0.518	S	S	.	.	H	α-helix	trans	-79.2	-6.5	172.5	-75	-22.4	0	0	0	113.5	E533 I535 A540 H541	E533-N537 PolarHBondContact O-ND2 3.35Å; I535-N537 PolarHBondContact O-N 3.42Å; N537-A540 PolarHBondContact O-N 3.46Å; N537-H541 WeakPolarHBondContact O-CB 3.27Å; N537-H541 PolarHBondContact O-N 3.01Å
538	F	90.5	Very high	73.1	Confident	33 Å²	33	98.3 Å²	98.3	15%	0.145	49%	0.494	C	S	.	.	H	α-helix	trans	-65.4	-51.7	-179.5	-170.8	-88.1	0	0	0	111.6	I466 P467 P473 L513 L516 I535 K536 A540 H541 W542	I466-F538 HydrophobicContact CG1-CE2 4.48Å; P467-F538 HydrophobicContact CG-CZ 3.89Å; P473-F538 HydrophobicContact CG-CE1 3.67Å; P473-F538 HydrophobicContact CG-CZ 3.83Å; L513-F538 HydrophobicContact CB-CD1 3.89Å; L513-F538 HydrophobicContact CB-CE1 4.37Å; L513-F538 HydrophobicContact CD1-CD1 4.44Å; L513-F538 HydrophobicContact CD1-CE1 4.1Å; L516-F538 HydrophobicContact CD1-CD1 4.4Å; L516-F538 HydrophobicContact CD1-CE1 4.43Å; L516-F538 HydrophobicContact CD2-CD1 4.32Å; L516-F538 HydrophobicContact CD2-CE1 3.9Å; I535-F538 WeakPolarHBondContact O-CB 3.25Å; I535-F538 PolarHBondContact O-N 2.82Å; K536-F538 VanDerWaalsContact C-N 3.27Å; K536-F538 PolarHBondContact O-N 2.9Å; F538-A540 VanDerWaalsContact C-N 3.29Å; F538-A540 PolarHBondContact O-N 3.09Å; F538-H541 PolarHBondContact O-N 3.02Å; F538-W542 AromaticContact CD1-CD1 3.79Å; F538-W542 AromaticContact CD2-NE1 3.93Å; F538-W542 AromaticContact CE1-CD1 3.53Å; F538-W542 AromaticContact CE1-NE1 3.91Å; F538-W542 AromaticContact CE2-CD1 3.81Å; F538-W542 AromaticContact CE2-NE1 3.41Å; F538-W542 AromaticContact CZ-CD1 3.54Å; F538-W542 AromaticContact CZ-NE1 3.39Å; F538-W542 PolarHBondContact O-N 2.84Å; F538-W542 VanDerWaalsContact O-N 3.11Å
539	A	91.5	Very high	75.8	Confident	19 Å²	19	87.3 Å²	87.3	16%	0.157	45%	0.454	C	S	.	.	H	α-helix	trans	-58.4	-41.6	175.7	0	0	0	0	0	112	L513 L516 W542 F543	L513-A539 PolarHBondContact O-N 2.99Å; L516-A539 HydrophobicContact CB-CB 4.27Å; L516-A539 HydrophobicContact CD1-CB 4.34Å; A539-W542 PolarHBondContact O-N 2.98Å; A539-F543 PolarHBondContact O-N 3.35Å; A539-F543 VanDerWaalsContact O-N 3.11Å
540	A	90.2	Very high	78.5	Confident	54 Å²	54	79.8 Å²	79.8	45%	0.446	42%	0.419	S	S	.	.	H	α-helix	trans	-65.5	-42.9	177	0	0	0	0	0	112.6	N537 F538 W542 F543	N537-A540 PolarHBondContact O-N 3.46Å; F538-A540 VanDerWaalsContact C-N 3.29Å; F538-A540 PolarHBondContact O-N 3.09Å; A540-W542 VanDerWaalsContact C-N 3.27Å; A540-W542 PolarHBondContact O-N 3.4Å; A540-F543 WeakPolarHBondContact O-CB 3.15Å; A540-F543 PolarHBondContact O-N 2.92Å
541	H	92.7	Very high	81.2	Confident	136 Å²	136	76.3 Å²	76.3	63%	0.63	40%	0.4	S	S	*	.	H	α-helix	trans	-59.9	-38.7	177.6	174.7	-90.5	0	0	0	111.8	N537 F538	N537-H541 WeakPolarHBondContact O-CB 3.27Å; N537-H541 PolarHBondContact O-N 3.01Å; F538-H541 PolarHBondContact O-N 3.02Å
542	W	94	Very high	84	Confident	57 Å²	57	74.3 Å²	74.3	22%	0.216	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7	-179.2	-65.3	108.6	0	0	0	114.3	P472 P473 F538 A539 A540 Q544 Y545 T546	P472-W542 HydrophobicContact CB-CE3 4.2Å; P472-W542 HydrophobicContact CB-CH2 3.67Å; P472-W542 HydrophobicContact CB-CZ2 4.4Å; P472-W542 HydrophobicContact CB-CZ3 3.55Å; P473-W542 HydrophobicContact CG-CB 3.86Å; P473-W542 HydrophobicContact CG-CD2 3.74Å; P473-W542 HydrophobicContact CG-CE3 4.4Å; P473-W542 HydrophobicContact CG-CG 3.44Å; P473-W542 VanDerWaalsContact CG-CG 3.44Å; F538-W542 AromaticContact CD1-CD1 3.79Å; F538-W542 AromaticContact CD2-NE1 3.93Å; F538-W542 AromaticContact CE1-CD1 3.53Å; F538-W542 AromaticContact CE1-NE1 3.91Å; F538-W542 AromaticContact CE2-CD1 3.81Å; F538-W542 AromaticContact CE2-NE1 3.41Å; F538-W542 AromaticContact CZ-CD1 3.54Å; F538-W542 AromaticContact CZ-NE1 3.39Å; F538-W542 PolarHBondContact O-N 2.84Å; F538-W542 VanDerWaalsContact O-N 3.11Å; A539-W542 PolarHBondContact O-N 2.98Å; A540-W542 VanDerWaalsContact C-N 3.27Å; A540-W542 PolarHBondContact O-N 3.4Å; W542-Q544 VanDerWaalsContact C-N 3.34Å; W542-Q544 PolarHBondContact O-N 3.28Å; W542-Y545 HydrophobicContact CE3-CD1 4.38Å; W542-Y545 HydrophobicContact CE3-CD2 4.37Å; W542-Y545 AromaticContact CE3-CG 3.91Å; W542-Y545 HydrophobicContact CE3-CG 3.91Å; W542-Y545 HydrophobicContact CZ3-CD2 4.27Å; W542-Y545 HydrophobicContact CZ3-CG 4.26Å; W542-Y545 WeakPolarHBondContact O-CB 3.28Å; W542-Y545 PolarHBondContact O-N 2.96Å; W542-T546 HydrophobicContact CB-CG2 4.28Å; W542-T546 PolarHBondContact O-N 3.43Å; W542-T546 PolarHBondContact O-OG1 2.86Å
543	F	92.6	Very high	86.2	Confident	106 Å²	106	69.2 Å²	69.2	47%	0.465	35%	0.353	S	S	.	.	H	α-helix	trans	-52.5	-47.7	-175.3	-174.9	-85.4	0	0	0	112.9	A539 A540 T546 G547 G548	A539-F543 PolarHBondContact O-N 3.35Å; A539-F543 VanDerWaalsContact O-N 3.11Å; A540-F543 WeakPolarHBondContact O-CB 3.15Å; A540-F543 PolarHBondContact O-N 2.92Å; F543-T546 PolarHBondContact O-OG1 3.41Å; F543-G547 PolarHBondContact O-N 3.38Å; F543-G548 PolarHBondContact O-N 3.43Å
544	Q	90.7	Very high	88.1	Confident	172 Å²	172	66.8 Å²	66.8	80%	0.804	34%	0.338	S	S	*	.	H	α-helix	trans	-70.4	-31.6	179.1	-66.9	-176.4	3.6	0	0	113.2	W542	W542-Q544 VanDerWaalsContact C-N 3.34Å; W542-Q544 PolarHBondContact O-N 3.28Å
545	Y	94.3	Very high	89.6	Confident	74 Å²	74	65.4 Å²	65.4	29%	0.29	32%	0.317	S	S	.	.	H	α-helix	trans	-68.8	-45.9	178.1	-178.5	-86.6	0	0	0	110.6	P472 P473 D475 W542 K570	P472-Y545 HydrophobicContact CB-CD1 4.46Å; P472-Y545 HydrophobicContact CB-CD2 4.4Å; P472-Y545 HydrophobicContact CB-CE1 4.04Å; P472-Y545 HydrophobicContact CB-CE2 3.94Å; P472-Y545 HydrophobicContact CG-CE1 4.44Å; P472-Y545 HydrophobicContact CG-CE2 4.12Å; P473-Y545 WeakPolarHBondContact O-CE1 3.29Å; D475-Y545 PolarHBondContact OD1-OH 3.48Å; W542-Y545 HydrophobicContact CE3-CD1 4.38Å; W542-Y545 HydrophobicContact CE3-CD2 4.37Å; W542-Y545 AromaticContact CE3-CG 3.91Å; W542-Y545 HydrophobicContact CE3-CG 3.91Å; W542-Y545 HydrophobicContact CZ3-CD2 4.27Å; W542-Y545 HydrophobicContact CZ3-CG 4.26Å; W542-Y545 WeakPolarHBondContact O-CB 3.28Å; W542-Y545 PolarHBondContact O-N 2.96Å; Y545-K570 WeakPolarHBondContact O-CD 3.45Å
546	T	94.2	Very high	91.3	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-85.1	-15.1	-174.7	61.8	0	0	0	0	113.5	P473 L516 W542 F543 G549 Y550 A569 K570	P473-T546 HydrophobicContact CB-CG2 4.49Å; L516-T546 HydrophobicContact CD1-CG2 4.26Å; W542-T546 HydrophobicContact CB-CG2 4.28Å; W542-T546 PolarHBondContact O-N 3.43Å; W542-T546 PolarHBondContact O-OG1 2.86Å; F543-T546 PolarHBondContact O-OG1 3.41Å; T546-G549 PolarHBondContact OG1-N 3.18Å; T546-Y550 HydrophobicContact CG2-CE2 3.59Å; T546-A569 CarbonylContact O-C 3.58Å; T546-A569 PolarHBondContact O-N 2.66Å; T546-K570 WeakPolarHBondContact O-CB 3.39Å; T546-K570 PolarHBondContact O-N 3.39Å
547	G	93.2	Very high	92.8	Very high	36 Å²	36	55.7 Å²	55.7	37%	0.371	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	27.8	-172.7	0	0	0	0	0	112.9	F543 A569	F543-G547 PolarHBondContact O-N 3.38Å; G547-A569 WeakPolarHBondContact O-CB 3.33Å
548	G	89.8	Confident	93.4	Very high	14 Å²	14	52 Å²	52	14%	0.144	25%	0.252	C	S	.	.	S	Bend	trans	94.4	6.6	176.6	0	0	0	0	0	115.6	P520 F543	P520-G548 WeakPolarHBondContact CA-O 3.43Å; F543-G548 PolarHBondContact O-N 3.43Å
549	G	93.5	Very high	93.4	Very high	5 Å²	5	50.4 Å²	50.4	5%	0.052	25%	0.245	C	C	.	.	S	Bend	trans	144.7	-156.1	179.6	0	0	0	0	0	112.5	K518 T546 A569	K518-G549 WeakPolarHBondContact O-CA 3.09Å; T546-G549 PolarHBondContact OG1-N 3.18Å; G549-A569 PolarHBondContact O-N 3.45Å
550	Y	96.9	Very high	93.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.4	-179.2	-72.7	-111.7	0	0	0	111.6	P473 A474 Y477 L516 L517 K518 P519 T546 I567 S568	P473-Y550 WeakPolarHBondContact CB-OH 3.25Å; A474-Y550 WeakPolarHBondContact O-CE1 3.49Å; A474-Y550 VanDerWaalsContact O-CZ 3.25Å; A474-Y550 PolarHBondContact O-OH 3.08Å; Y477-Y550 HydrophobicContact CD2-CD1 4.3Å; Y477-Y550 AromaticContact CD2-CE1 3.62Å; Y477-Y550 HydrophobicContact CD2-CE1 3.62Å; Y477-Y550 AromaticContact CD2-CZ 3.98Å; Y477-Y550 AromaticContact CE2-CE1 3.97Å; Y477-Y550 HydrophobicContact CE2-CE1 3.97Å; Y477-Y550 AromaticContact CE2-CZ 3.83Å; L516-Y550 HydrophobicContact CD1-CE2 4Å; L516-Y550 HydrophobicContact CD2-CE2 4.16Å; L516-Y550 HydrophobicContact CG-CD2 4.17Å; L516-Y550 HydrophobicContact CG-CE2 3.73Å; L516-Y550 WeakPolarHBondContact O-CD2 3.35Å; L517-Y550 HydrophobicContact CD2-CD1 3.94Å; L517-Y550 HydrophobicContact CD2-CD2 3.96Å; L517-Y550 HydrophobicContact CD2-CE1 4.31Å; L517-Y550 HydrophobicContact CD2-CE2 4.29Å; L517-Y550 HydrophobicContact CD2-CG 3.79Å; K518-Y550 CarbonylContact C-O 3.29Å; K518-Y550 VanDerWaalsContact C-O 3.29Å; K518-Y550 PolarHBondContact O-N 2.84Å; P519-Y550 WeakPolarHBondContact CA-O 3.21Å; T546-Y550 HydrophobicContact CG2-CE2 3.59Å; Y550-I567 CarbonylContact C-O 3.51Å; Y550-I567 VanDerWaalsContact CA-O 3.23Å; Y550-I567 WeakPolarHBondContact CA-O 3.03Å; Y550-I567 WeakPolarHBondContact CB-O 3.46Å; Y550-S568 VanDerWaalsContact CD1-N 3.26Å
551	I	95.3	Very high	93.8	Very high	68 Å²	68	47.3 Å²	47.3	35%	0.349	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.9	171.8	-56.6	177.2	0	0	0	107.4	I553 Y566 I567	I551-I553 PolarHBondContact O-N 2.83Å; I551-Y566 CarbonylContact O-C 3.52Å; I551-Y566 WeakPolarHBondContact O-CA 3.45Å; I551-I567 HydrophobicContact CB-CG2 4.12Å; I551-I567 PolarHBondContact N-O 3.24Å; I551-I567 PolarHBondContact O-N 3.36Å
552	R	96.5	Very high	94	Very high	115 Å²	115	41 Å²	41	43%	0.434	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	107.8	169.8	-170.9	175.3	67.4	-158.6	6.6	108.9	I506 E510 I564 Y566	I506-R552 VanDerWaalsContact CG2-NH1 3.31Å; E510-R552 IonicContact OE1-CZ 3.96Å; E510-R552 IonicContact OE1-NH1 3.06Å; E510-R552 PolarHBondContact OE1-NH1 3.38Å; R552-I564 HydrophobicContact CG-CG2 3.89Å; R552-Y566 HydrophobicContact CB-CD1 3.73Å; R552-Y566 HydrophobicContact CB-CE1 3.6Å; R552-Y566 HydrophobicContact CG-CD1 4.06Å; R552-Y566 HydrophobicContact CG-CE1 3.69Å
553	I	95.8	Very high	94.3	Very high	19 Å²	19	38.3 Å²	38.3	10%	0.097	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-57.6	-179	-55.4	179.8	0	0	0	109.9	I551 V565 I567 L575 I580 L603	I551-I553 PolarHBondContact O-N 2.83Å; I553-V565 HydrophobicContact CB-CB 4.49Å; I553-V565 WeakPolarHBondContact CB-O 3.45Å; I553-V565 HydrophobicContact CD1-CB 4.46Å; I553-V565 HydrophobicContact CD1-CG1 3.65Å; I553-V565 HydrophobicContact CG1-CG1 4.35Å; I553-V565 PolarHBondContact N-O 3.43Å; I553-I567 HydrophobicContact CD1-CB 3.78Å; I553-I567 HydrophobicContact CD1-CG2 3.87Å; I553-I567 HydrophobicContact CG1-CB 3.94Å; I553-I567 HydrophobicContact CG1-CG2 3.5Å; I553-L575 HydrophobicContact CD1-CD2 4.04Å; I553-L575 HydrophobicContact CG1-CD2 4.11Å; I553-L575 HydrophobicContact CG2-CD2 4.17Å; I553-I580 HydrophobicContact CG2-CD1 3.66Å; I553-I580 HydrophobicContact CG2-CG1 4.36Å; I553-I580 HydrophobicContact CG2-CG2 4.34Å; I553-L603 HydrophobicContact CD1-CD2 3.61Å
554	R	94.2	Very high	94.5	Very high	108 Å²	108	33.3 Å²	33.3	41%	0.408	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	151.4	-174.9	-157.3	65	73.5	-179.7	5.4	111.3	V565 L601	R554-V565 PolarHBondContact O-N 3.35Å; R554-L601 HydrophobicContact CB-CD1 3.72Å; R554-L601 HydrophobicContact CB-CD2 4.01Å; R554-L601 HydrophobicContact CG-CD1 3.92Å
555	R	94.2	Very high	94.9	Very high	70 Å²	70	25.1 Å²	25.1	26%	0.264	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.4	166.8	72.7	89.7	-126.3	-147.7	-0.1	109.4	T496 E502 M563 I564	T496-R555 PolarHBondContact O-NH1 2.83Å; T496-R555 PolarHBondContact O-NH2 3.47Å; E502-R555 WeakPolarHBondContact OE1-CD 3.38Å; E502-R555 IonicContact OE1-CZ 2.61Å; E502-R555 IonicContact OE1-NH1 3.54Å; E502-R555 PolarHBondContact OE1-NH1 2.97Å; E502-R555 VanDerWaalsContact OE1-NH1 3.08Å; R555-M563 CarbonylContact C-O 3.53Å; R555-M563 WeakPolarHBondContact CA-O 2.95Å; R555-I564 HydrophobicContact CB-CG1 3.81Å
556	V	94.8	Very high	95.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.6	-179.4	-162.6	0	0	0	0	108.3	M562 M563 Q582 I584 V599 L601	V556-M562 CarbonylContact O-C 3.48Å; V556-M562 WeakPolarHBondContact O-CA 3.23Å; V556-M563 HydrophobicContact CG2-CE 4.5Å; V556-M563 PolarHBondContact N-O 3.37Å; V556-M563 PolarHBondContact O-N 3.21Å; V556-Q582 HydrophobicContact CG1-CB 4.11Å; V556-Q582 HydrophobicContact CG2-CB 3.79Å; V556-I584 HydrophobicContact CG1-CG2 3.8Å; V556-V599 HydrophobicContact CB-CB 4.25Å; V556-V599 HydrophobicContact CG1-CB 3.87Å; V556-V599 HydrophobicContact CG1-CG1 4.35Å; V556-L601 HydrophobicContact CG2-CB 4.21Å; V556-L601 HydrophobicContact CG2-CD1 4.2Å
557	R	93.5	Very high	95.3	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.011	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	140	-178.1	-164.1	174.1	68	69.1	7.6	112.8	K495 T496 S497 E502 A559 I561 M562	K495-R557 PolarHBondContact O-NH1 3.32Å; K495-R557 PolarHBondContact O-NH2 3.33Å; T496-R557 VanDerWaalsContact CA-NH2 3.34Å; T496-R557 WeakPolarHBondContact CG2-O 3.24Å; S497-R557 PolarHBondContact O-NH2 3.08Å; E502-R557 WeakPolarHBondContact OE2-CD 3.36Å; E502-R557 IonicContact OE2-CZ 3.3Å; E502-R557 IonicContact OE2-NE 2.66Å; E502-R557 PolarHBondContact OE2-NE 2.78Å; R557-A559 PolarHBondContact NH1-O 2.85Å; R557-I561 CarbonylContact C-O 3.58Å; R557-I561 VanDerWaalsContact CA-O 3.31Å; R557-I561 WeakPolarHBondContact CA-O 3.42Å; R557-I561 WeakPolarHBondContact CG-O 3.4Å; R557-M562 HydrophobicContact CB-CG 4.49Å; R557-M562 HydrophobicContact CG-CB 4.13Å; R557-M562 HydrophobicContact CG-CG 4.45Å
558	L	92.3	Very high	95.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	103.9	169.1	170.8	63.3	0	0	0	108	N494 G560 I561 I584 P586 V599	N494-L558 HydrophobicContact CB-CD1 3.98Å; L558-G560 PolarHBondContact O-N 3.31Å; L558-G560 VanDerWaalsContact O-N 3.08Å; L558-I561 HydrophobicContact CD2-CD1 4.41Å; L558-I561 PolarHBondContact N-O 3.41Å; L558-I561 WeakPolarHBondContact O-CB 3.5Å; L558-I561 PolarHBondContact O-N 3.23Å; L558-I584 HydrophobicContact CB-CB 4.2Å; L558-I584 HydrophobicContact CB-CG2 4.32Å; L558-I584 HydrophobicContact CD1-CD1 4.16Å; L558-I584 HydrophobicContact CD2-CB 4.45Å; L558-P586 HydrophobicContact CD1-CB 4.4Å; L558-P586 HydrophobicContact CD2-CB 4.2Å; L558-V599 HydrophobicContact CB-CG1 3.54Å
559	A	90.9	Very high	95.8	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	-115.4	-174.8	0	0	0	0	0	112.1	V490 I491 K495 R557 I561 G594	V490-A559 HydrophobicContact CG1-CB 4.4Å; I491-A559 HydrophobicContact CG1-CB 4.49Å; K495-A559 PolarHBondContact O-N 3.01Å; R557-A559 PolarHBondContact NH1-O 2.85Å; A559-I561 VanDerWaalsContact C-N 3.34Å; A559-G594 WeakPolarHBondContact CB-O 3.4Å
560	G	94.6	Very high	95.9	Very high	7 Å²	7	25.5 Å²	25.5	7%	0.072	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.3	179	0	0	0	0	0	115.4	Q482 E483 L484 L558	Q482-G560 CarbonylContact C-O 3.55Å; Q482-G560 VanDerWaalsContact C-O 3.29Å; Q482-G560 WeakPolarHBondContact CA-O 3.09Å; E483-G560 PolarHBondContact N-O 2.84Å; L484-G560 WeakPolarHBondContact CB-O 3.04Å; L484-G560 PolarHBondContact N-O 3.15Å; L558-G560 PolarHBondContact O-N 3.31Å; L558-G560 VanDerWaalsContact O-N 3.08Å
561	I	97	Very high	95.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118	-177.5	-47.6	172.7	0	0	0	108.4	L481 R557 L558 A559 V599 H616	L481-I561 WeakPolarHBondContact O-CA 3.5Å; R557-I561 CarbonylContact C-O 3.58Å; R557-I561 VanDerWaalsContact CA-O 3.31Å; R557-I561 WeakPolarHBondContact CA-O 3.42Å; R557-I561 WeakPolarHBondContact CG-O 3.4Å; L558-I561 HydrophobicContact CD2-CD1 4.41Å; L558-I561 PolarHBondContact N-O 3.41Å; L558-I561 WeakPolarHBondContact O-CB 3.5Å; L558-I561 PolarHBondContact O-N 3.23Å; A559-I561 VanDerWaalsContact C-N 3.34Å; I561-V599 HydrophobicContact CB-CG1 4.37Å; I561-V599 HydrophobicContact CG2-CG1 4.16Å; I561-V599 HydrophobicContact CG2-CG2 4.03Å; I561-H616 HydrophobicContact CD1-CB 3.63Å; I561-H616 HydrophobicContact CG1-CB 3.79Å
562	M	96.9	Very high	95.9	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.7	-178.4	-177	175	69.7	0	0	111.1	G480 L481 L484 E502 W505 V556 R557 I564 N614	G480-M562 CarbonylContact C-O 3.51Å; G480-M562 VanDerWaalsContact CA-O 3.28Å; G480-M562 WeakPolarHBondContact CA-O 3.4Å; L481-M562 HydrophobicContact CD1-CE 3.71Å; L481-M562 HydrophobicContact CG-CE 4.28Å; L481-M562 PolarHBondContact N-O 2.95Å; L481-M562 PolarHBondContact O-N 3.1Å; L484-M562 HydrophobicContact CD1-CE 4.06Å; L484-M562 HydrophobicContact CD2-CB 4.12Å; L484-M562 HydrophobicContact CD2-CE 3.93Å; L484-M562 HydrophobicContact CD2-SD 3.77Å; E502-M562 HydrophobicContact CB-SD 4.28Å; E502-M562 HydrophobicContact CG-SD 3.64Å; W505-M562 HydrophobicContact CB-CE 4.38Å; V556-M562 CarbonylContact O-C 3.48Å; V556-M562 WeakPolarHBondContact O-CA 3.23Å; R557-M562 HydrophobicContact CB-CG 4.49Å; R557-M562 HydrophobicContact CG-CB 4.13Å; R557-M562 HydrophobicContact CG-CG 4.45Å; M562-I564 HydrophobicContact CE-CD1 3.66Å; M562-I564 HydrophobicContact CE-CG1 4.45Å; M562-I564 HydrophobicContact CG-CG1 4.34Å; M562-I564 HydrophobicContact SD-CD1 3.95Å; M562-I564 HydrophobicContact SD-CG1 4.33Å; M562-N614 PolarHBondContact O-ND2 3.17Å
563	M	98.3	Very high	95.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.8	168.5	-177.6	172.1	59.2	0	0	110.1	V478 I479 R555 V556 V565 V599 L601 F612 N614 F667	V478-M563 HydrophobicContact CG1-CG 4.29Å; V478-M563 HydrophobicContact CG1-SD 3.96Å; I479-M563 CarbonylContact O-C 3.59Å; I479-M563 VanDerWaalsContact O-CA 3.28Å; I479-M563 WeakPolarHBondContact O-CA 3.38Å; R555-M563 CarbonylContact C-O 3.53Å; R555-M563 WeakPolarHBondContact CA-O 2.95Å; V556-M563 HydrophobicContact CG2-CE 4.5Å; V556-M563 PolarHBondContact N-O 3.37Å; V556-M563 PolarHBondContact O-N 3.21Å; M563-V565 HydrophobicContact CG-CG2 4.3Å; M563-V599 HydrophobicContact CB-CG2 3.71Å; M563-L601 HydrophobicContact CE-CB 3.42Å; M563-L601 VanDerWaalsContact CE-CB 3.42Å; M563-F612 HydrophobicContact CE-CB 4.1Å; M563-F612 HydrophobicContact SD-CB 3.66Å; M563-N614 HydrophobicContact CB-CB 4.06Å; M563-N614 HydrophobicContact CG-CB 4.49Å; M563-N614 HydrophobicContact SD-CB 4.22Å; M563-F667 HydrophobicContact CG-CZ 4.2Å; M563-F667 HydrophobicContact SD-CE1 3.97Å; M563-F667 HydrophobicContact SD-CZ 3.59Å; M563-F667 VanDerWaalsContact SD-CZ 3.59Å
564	I	98.1	Very high	95.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.3	173.6	-61.6	157	0	0	0	108.5	I479 I506 L509 R552 R555 M562 Y566	I479-I564 PolarHBondContact N-O 3.27Å; I479-I564 PolarHBondContact O-N 2.93Å; I506-I564 HydrophobicContact CD1-CD1 4.13Å; I506-I564 HydrophobicContact CG1-CD1 3.47Å; I506-I564 VanDerWaalsContact CG1-CD1 3.47Å; L509-I564 HydrophobicContact CD1-CD1 4.14Å; R552-I564 HydrophobicContact CG-CG2 3.89Å; R555-I564 HydrophobicContact CB-CG1 3.81Å; M562-I564 HydrophobicContact CE-CD1 3.66Å; M562-I564 HydrophobicContact CE-CG1 4.45Å; M562-I564 HydrophobicContact CG-CG1 4.34Å; M562-I564 HydrophobicContact SD-CD1 3.95Å; M562-I564 HydrophobicContact SD-CG1 4.33Å; I564-Y566 HydrophobicContact CB-CE2 4.15Å; I564-Y566 HydrophobicContact CG2-CD2 3.86Å; I564-Y566 HydrophobicContact CG2-CE1 4.41Å; I564-Y566 HydrophobicContact CG2-CE2 3.2Å
565	V	98.6	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128	177.9	-176	0	0	0	0	110.4	L476 Y477 V478 I553 R554 M563 L601 L603	L476-V565 HydrophobicContact CD2-CG1 4.27Å; Y477-V565 CarbonylContact O-C 3.56Å; Y477-V565 WeakPolarHBondContact O-CA 3.29Å; V478-V565 HydrophobicContact CB-CG2 4.38Å; V478-V565 HydrophobicContact CG1-CG2 4.07Å; V478-V565 HydrophobicContact CG2-CG1 3.97Å; V478-V565 HydrophobicContact CG2-CG2 4.04Å; I553-V565 HydrophobicContact CB-CB 4.49Å; I553-V565 WeakPolarHBondContact CB-O 3.45Å; I553-V565 HydrophobicContact CD1-CB 4.46Å; I553-V565 HydrophobicContact CD1-CG1 3.65Å; I553-V565 HydrophobicContact CG1-CG1 4.35Å; I553-V565 PolarHBondContact N-O 3.43Å; R554-V565 PolarHBondContact O-N 3.35Å; M563-V565 HydrophobicContact CG-CG2 4.3Å; V565-L601 HydrophobicContact CB-CD2 3.65Å; V565-L601 HydrophobicContact CG1-CD2 4.34Å; V565-L601 HydrophobicContact CG2-CD2 3.41Å; V565-L601 VanDerWaalsContact CG2-CD2 3.41Å; V565-L603 HydrophobicContact CG1-CD2 4.29Å
566	Y	98.7	Very high	95.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.3	174.2	-59.4	-94.5	0	0	0	109.8	L476 Y477 E510 L517 I551 R552 I564	L476-Y566 WeakPolarHBondContact CA-O 3.42Å; Y477-Y566 PolarHBondContact N-O 2.76Å; Y477-Y566 PolarHBondContact O-N 3.33Å; E510-Y566 HydrophobicContact CG-CE1 3.91Å; E510-Y566 WeakPolarHBondContact CG-OH 3.33Å; E510-Y566 PolarHBondContact OE1-OH 3.31Å; E510-Y566 VanDerWaalsContact OE1-OH 3.05Å; L517-Y566 HydrophobicContact CB-CD1 4.24Å; L517-Y566 HydrophobicContact CB-CE1 4.36Å; L517-Y566 HydrophobicContact CD1-CD2 4.09Å; L517-Y566 HydrophobicContact CD1-CE2 4.2Å; L517-Y566 HydrophobicContact CD1-CG 4.44Å; L517-Y566 HydrophobicContact CD2-CG 4.43Å; I551-Y566 CarbonylContact O-C 3.52Å; I551-Y566 WeakPolarHBondContact O-CA 3.45Å; R552-Y566 HydrophobicContact CB-CD1 3.73Å; R552-Y566 HydrophobicContact CB-CE1 3.6Å; R552-Y566 HydrophobicContact CG-CD1 4.06Å; R552-Y566 HydrophobicContact CG-CE1 3.69Å; I564-Y566 HydrophobicContact CB-CE2 4.15Å; I564-Y566 HydrophobicContact CG2-CD2 3.86Å; I564-Y566 HydrophobicContact CG2-CE1 4.41Å; I564-Y566 HydrophobicContact CG2-CE2 3.2Å
567	I	98.3	Very high	95.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	140.7	174.6	-175.2	162.2	0	0	0	109.6	D475 L476 Y550 I551 I553 A569 L571 L575 I605	D475-I567 CarbonylContact O-C 3.53Å; D475-I567 WeakPolarHBondContact O-CA 3.34Å; L476-I567 HydrophobicContact CD1-CB 4.11Å; L476-I567 HydrophobicContact CD1-CD1 3.85Å; L476-I567 HydrophobicContact CD1-CG1 3.73Å; Y550-I567 CarbonylContact C-O 3.51Å; Y550-I567 VanDerWaalsContact CA-O 3.23Å; Y550-I567 WeakPolarHBondContact CA-O 3.03Å; Y550-I567 WeakPolarHBondContact CB-O 3.46Å; I551-I567 HydrophobicContact CB-CG2 4.12Å; I551-I567 PolarHBondContact N-O 3.24Å; I551-I567 PolarHBondContact O-N 3.36Å; I553-I567 HydrophobicContact CD1-CB 3.78Å; I553-I567 HydrophobicContact CD1-CG2 3.87Å; I553-I567 HydrophobicContact CG1-CB 3.94Å; I553-I567 HydrophobicContact CG1-CG2 3.5Å; I567-A569 PolarHBondContact O-N 3.05Å; I567-L571 HydrophobicContact CD1-CB 4.24Å; I567-L571 HydrophobicContact CD1-CD2 4.23Å; I567-L571 HydrophobicContact CD1-CG 4.02Å; I567-L571 HydrophobicContact CG1-CB 3.99Å; I567-L571 HydrophobicContact CG1-CD2 4.29Å; I567-L571 HydrophobicContact CG1-CG 4.23Å; I567-L575 HydrophobicContact CD1-CB 4.12Å; I567-L575 HydrophobicContact CD1-CD2 4.35Å; I567-L575 HydrophobicContact CG2-CD2 4.43Å; I567-I605 HydrophobicContact CD1-CD1 4.22Å
568	S	98.1	Very high	94.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	140.9	174.7	70.6	0	0	0	0	110	D475 Y550 K570 L571 S572	D475-S568 PolarHBondContact O-N 3.35Å; Y550-S568 VanDerWaalsContact CD1-N 3.26Å; S568-K570 PolarHBondContact O-N 2.68Å; S568-K570 VanDerWaalsContact O-N 3.13Å; S568-L571 PolarHBondContact O-N 2.82Å; S568-L571 VanDerWaalsContact OG-CB 3.27Å; S568-L571 WeakPolarHBondContact OG-CB 3.19Å; S568-L571 PolarHBondContact OG-N 2.84Å; S568-S572 PolarHBondContact O-N 3.07Å
569	A	95.4	Very high	94.7	Very high	17 Å²	17	32.6 Å²	32.6	14%	0.14	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.9	179.5	0	0	0	0	0	112.4	P520 T546 G547 G549 I567 S572	P520-A569 HydrophobicContact CG-CB 3.49Å; P520-A569 VanDerWaalsContact CG-CB 3.49Å; T546-A569 CarbonylContact O-C 3.58Å; T546-A569 PolarHBondContact O-N 2.66Å; G547-A569 WeakPolarHBondContact O-CB 3.33Å; G549-A569 PolarHBondContact O-N 3.45Å; I567-A569 PolarHBondContact O-N 3.05Å; A569-S572 PolarHBondContact O-OG 3.08Å
570	K	95.3	Very high	94.6	Very high	120 Å²	120	33.8 Å²	33.8	52%	0.522	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-41.7	173.7	-171.2	177.3	-173	172.9	0	113.1	Y545 T546 S568	Y545-K570 WeakPolarHBondContact O-CD 3.45Å; T546-K570 WeakPolarHBondContact O-CB 3.39Å; T546-K570 PolarHBondContact O-N 3.39Å; S568-K570 PolarHBondContact O-N 2.68Å; S568-K570 VanDerWaalsContact O-N 3.13Å
571	L	96.2	Very high	94.4	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.079	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-24.5	179.6	-174.1	63.1	0	0	0	112.1	I442 D475 L476 I567 S568 I573 H574 I605 F606	I442-L571 HydrophobicContact CB-CD2 4.17Å; I442-L571 HydrophobicContact CD1-CD2 4.26Å; I442-L571 HydrophobicContact CG2-CD1 3.95Å; I442-L571 HydrophobicContact CG2-CD2 3.81Å; D475-L571 HydrophobicContact CB-CB 4.46Å; D475-L571 HydrophobicContact CB-CD2 3.49Å; D475-L571 VanDerWaalsContact CB-CD2 3.49Å; L476-L571 HydrophobicContact CD1-CD2 3.88Å; I567-L571 HydrophobicContact CD1-CB 4.24Å; I567-L571 HydrophobicContact CD1-CD2 4.23Å; I567-L571 HydrophobicContact CD1-CG 4.02Å; I567-L571 HydrophobicContact CG1-CB 3.99Å; I567-L571 HydrophobicContact CG1-CD2 4.29Å; I567-L571 HydrophobicContact CG1-CG 4.23Å; S568-L571 PolarHBondContact O-N 2.82Å; S568-L571 VanDerWaalsContact OG-CB 3.27Å; S568-L571 WeakPolarHBondContact OG-CB 3.19Å; S568-L571 PolarHBondContact OG-N 2.84Å; L571-I573 PolarHBondContact O-N 2.93Å; L571-I573 VanDerWaalsContact O-N 3.08Å; L571-H574 HydrophobicContact CD1-CB 4.46Å; L571-H574 WeakPolarHBondContact O-CB 3.43Å; L571-H574 PolarHBondContact O-N 2.8Å; L571-I605 HydrophobicContact CD1-CG2 3.99Å; L571-I605 HydrophobicContact CD2-CD1 4.17Å; L571-I605 HydrophobicContact CD2-CG2 4.26Å; L571-I605 HydrophobicContact CG-CG2 4.11Å; L571-F606 HydrophobicContact CD1-CE2 3.9Å; L571-F606 HydrophobicContact CD1-CZ 4.31Å
572	S	95.6	Very high	94.2	Very high	13 Å²	13	37.4 Å²	37.4	9%	0.091	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-57.2	-26.6	-175.2	74	0	0	0	0	114.6	S568 A569 H574 L575	S568-S572 PolarHBondContact O-N 3.07Å; A569-S572 PolarHBondContact O-OG 3.08Å; S572-H574 PolarHBondContact O-N 2.96Å; S572-H574 VanDerWaalsContact O-N 3.13Å; S572-L575 VanDerWaalsContact O-CB 3.24Å; S572-L575 WeakPolarHBondContact O-CB 3.25Å; S572-L575 PolarHBondContact O-N 3.07Å
573	I	93.9	Very high	94.1	Very high	128 Å²	128	40.4 Å²	40.4	66%	0.656	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-61.6	-20.5	175	70.1	178.1	0	0	0	113.1	L571	L571-I573 PolarHBondContact O-N 2.93Å; L571-I573 VanDerWaalsContact O-N 3.08Å
574	H	95.1	Very high	93.9	Very high	62 Å²	62	42.9 Å²	42.9	29%	0.287	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-100	-0.5	179.2	-60.7	-55.6	0	0	0	112.9	L571 S572 I605 F606	L571-H574 HydrophobicContact CD1-CB 4.46Å; L571-H574 WeakPolarHBondContact O-CB 3.43Å; L571-H574 PolarHBondContact O-N 2.8Å; S572-H574 PolarHBondContact O-N 2.96Å; S572-H574 VanDerWaalsContact O-N 3.13Å; H574-I605 HydrophobicContact CB-CG2 4.15Å; H574-I605 WeakPolarHBondContact O-CA 3.3Å; H574-F606 HydrophobicContact CB-CD1 3.96Å; H574-F606 HydrophobicContact CB-CD2 4.18Å; H574-F606 HydrophobicContact CB-CE1 3.74Å; H574-F606 HydrophobicContact CB-CE2 3.95Å; H574-F606 HydrophobicContact CB-CG 4.17Å; H574-F606 HydrophobicContact CB-CZ 3.71Å; H574-F606 AromaticContact CD2-CE1 3.41Å; H574-F606 VanDerWaalsContact CD2-CE1 3.41Å; H574-F606 WeakPolarHBondContact CD2-CE1 3.39Å; H574-F606 AromaticContact CD2-CZ 3.14Å; H574-F606 WeakPolarHBondContact CD2-CZ 3.3Å; H574-F606 AromaticContact CE1-CE1 3.48Å; H574-F606 VanDerWaalsContact CE1-CE1 3.48Å; H574-F606 WeakPolarHBondContact CE1-CE1 3.12Å; H574-F606 AromaticContact CG-CD1 3.83Å; H574-F606 AromaticContact CG-CE1 3.19Å; H574-F606 AromaticContact CG-CZ 3.3Å; H574-F606 AromaticContact ND1-CD1 3.81Å; H574-F606 AromaticContact ND1-CE1 3.25Å; H574-F606 WeakPolarHBondContact ND1-CE1 3.41Å; H574-F606 AromaticContact ND1-CZ 3.85Å; H574-F606 AromaticContact NE2-CE1 3.55Å; H574-F606 AromaticContact NE2-CZ 3.59Å; H574-F606 PolarHBondContact O-N 3.19Å
575	L	94.3	Very high	93.7	Very high	12 Å²	12	43 Å²	43	6%	0.063	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.4	174.8	-177.1	63.9	0	0	0	110	I553 I567 S572 H577 I580 L603 I605	I553-L575 HydrophobicContact CD1-CD2 4.04Å; I553-L575 HydrophobicContact CG1-CD2 4.11Å; I553-L575 HydrophobicContact CG2-CD2 4.17Å; I567-L575 HydrophobicContact CD1-CB 4.12Å; I567-L575 HydrophobicContact CD1-CD2 4.35Å; I567-L575 HydrophobicContact CG2-CD2 4.43Å; S572-L575 VanDerWaalsContact O-CB 3.24Å; S572-L575 WeakPolarHBondContact O-CB 3.25Å; S572-L575 PolarHBondContact O-N 3.07Å; L575-H577 PolarHBondContact O-N 3.39Å; L575-H577 VanDerWaalsContact O-N 3.15Å; L575-H577 PolarHBondContact O-ND1 3.33Å; L575-I580 HydrophobicContact CD1-CD1 4.5Å; L575-I580 HydrophobicContact CD1-CG1 4.5Å; L575-I580 HydrophobicContact CD2-CD1 3.95Å; L575-I580 HydrophobicContact CG-CD1 4.23Å; L575-L603 HydrophobicContact CD1-CB 4.02Å; L575-L603 HydrophobicContact CD1-CD1 4.14Å; L575-L603 HydrophobicContact CD1-CD2 4.46Å; L575-L603 HydrophobicContact CD1-CG 4.45Å; L575-I605 HydrophobicContact CD1-CG1 4.2Å
576	R	91.9	Very high	93.5	Very high	79 Å²	79	44.4 Å²	44.4	30%	0.298	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	93.3	171.8	-63.8	-161.7	-74.7	156.5	5.4	108.8	D578 E579 T604 F606	R576-D578 VanDerWaalsContact C-N 3.28Å; R576-D578 PolarHBondContact O-N 2.91Å; R576-E579 HydrophobicContact CB-CB 4.12Å; R576-E579 HydrophobicContact CB-CG 4.28Å; R576-E579 IonicContact CZ-OE1 3.31Å; R576-E579 IonicContact CZ-OE2 2.74Å; R576-E579 IonicContact NE-OE1 3.86Å; R576-E579 IonicContact NE-OE2 3.27Å; R576-E579 VanDerWaalsContact NH1-CD 3.34Å; R576-E579 IonicContact NH1-OE1 2.85Å; R576-E579 PolarHBondContact NH1-OE1 3.29Å; R576-E579 IonicContact NH1-OE2 2.65Å; R576-E579 IonicContact NH2-OE1 3.77Å; R576-E579 PolarHBondContact NH2-OE1 3.1Å; R576-E579 VanDerWaalsContact NH2-OE1 3.08Å; R576-E579 IonicContact NH2-OE2 2.93Å; R576-E579 PolarHBondContact NH2-OE2 3.48Å; R576-E579 PolarHBondContact O-N 3.26Å; R576-T604 PolarHBondContact N-O 2.89Å; R576-T604 VanDerWaalsContact NE-CG2 3.33Å; R576-T604 PolarHBondContact NH2-OG1 2.65Å; R576-F606 PolarHBondContact NE-O 2.85Å
577	H	87.5	Confident	93.3	Very high	119 Å²	119	44.4 Å²	44.4	55%	0.551	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	-34.6	-171.3	-72	73.1	0	0	0	112.8	L575 E579 I580	L575-H577 PolarHBondContact O-N 3.39Å; L575-H577 VanDerWaalsContact O-N 3.15Å; L575-H577 PolarHBondContact O-ND1 3.33Å; H577-E579 VanDerWaalsContact C-N 3.29Å; H577-E579 PolarHBondContact O-N 3.1Å; H577-I580 PolarHBondContact O-N 3.37Å
578	D	84.8	Confident	92.8	Very high	86 Å²	86	44.6 Å²	44.6	46%	0.46	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-43.6	172.3	53.5	-31.9	0	0	0	110.3	R576 I580 P643	R576-D578 VanDerWaalsContact C-N 3.28Å; R576-D578 PolarHBondContact O-N 2.91Å; D578-I580 PolarHBondContact O-N 2.79Å; D578-I580 VanDerWaalsContact O-N 3.11Å; D578-P643 VanDerWaalsContact C-CG 3.42Å; D578-P643 HydrophobicContact CB-CG 4.43Å; D578-P643 WeakPolarHBondContact O-CG 3.43Å
579	E	88.5	Confident	92	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	9.7	-175.5	-69.1	-161	-175.1	0	0	116.7	R576 H577 R602 T604	R576-E579 HydrophobicContact CB-CB 4.12Å; R576-E579 HydrophobicContact CB-CG 4.28Å; R576-E579 IonicContact CZ-OE1 3.31Å; R576-E579 IonicContact CZ-OE2 2.74Å; R576-E579 IonicContact NE-OE1 3.86Å; R576-E579 IonicContact NE-OE2 3.27Å; R576-E579 VanDerWaalsContact NH1-CD 3.34Å; R576-E579 IonicContact NH1-OE1 2.85Å; R576-E579 PolarHBondContact NH1-OE1 3.29Å; R576-E579 IonicContact NH1-OE2 2.65Å; R576-E579 IonicContact NH2-OE1 3.77Å; R576-E579 PolarHBondContact NH2-OE1 3.1Å; R576-E579 VanDerWaalsContact NH2-OE1 3.08Å; R576-E579 IonicContact NH2-OE2 2.93Å; R576-E579 PolarHBondContact NH2-OE2 3.48Å; R576-E579 PolarHBondContact O-N 3.26Å; H577-E579 VanDerWaalsContact C-N 3.29Å; H577-E579 PolarHBondContact O-N 3.1Å; E579-R602 WeakPolarHBondContact O-CD 3.4Å; E579-R602 PolarHBondContact O-NH1 2.83Å; E579-R602 IonicContact OE2-NH1 3.88Å; E579-R602 PolarHBondContact OE2-NH1 2.73Å; E579-T604 VanDerWaalsContact OE2-CB 3.23Å; E579-T604 WeakPolarHBondContact OE2-CB 3.49Å; E579-T604 PolarHBondContact OE2-OG1 2.8Å
580	I	90	Very high	91.1	Very high	25 Å²	25	55.1 Å²	55.1	13%	0.128	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.5	174.8	-60.2	165.4	0	0	0	109.1	I553 L575 H577 D578 L601 R602 L603	I553-I580 HydrophobicContact CG2-CD1 3.66Å; I553-I580 HydrophobicContact CG2-CG1 4.36Å; I553-I580 HydrophobicContact CG2-CG2 4.34Å; L575-I580 HydrophobicContact CD1-CD1 4.5Å; L575-I580 HydrophobicContact CD1-CG1 4.5Å; L575-I580 HydrophobicContact CD2-CD1 3.95Å; L575-I580 HydrophobicContact CG-CD1 4.23Å; H577-I580 PolarHBondContact O-N 3.37Å; D578-I580 PolarHBondContact O-N 2.79Å; D578-I580 VanDerWaalsContact O-N 3.11Å; I580-L601 HydrophobicContact CG2-CD1 3.84Å; I580-R602 WeakPolarHBondContact CA-O 3.4Å; I580-L603 HydrophobicContact CG1-CB 4.16Å
581	S	91	Very high	90.2	Very high	14 Å²	14	51.1 Å²	51.1	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.2	175.2	-170.1	0	0	0	0	111.2	L601 R602 L641	S581-L601 CarbonylContact O-C 3.6Å; S581-L601 WeakPolarHBondContact O-CA 3.3Å; S581-R602 PolarHBondContact N-O 2.83Å; S581-R602 PolarHBondContact O-N 3Å; S581-L641 WeakPolarHBondContact CB-O 3.23Å; S581-L641 PolarHBondContact OG-N 2.94Å
582	Q	92.8	Very high	89.1	Confident	69 Å²	69	54.7 Å²	54.7	32%	0.322	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.2	179.5	65	178.5	48.2	0	0	110.1	V556 S600 L601	V556-Q582 HydrophobicContact CG1-CB 4.11Å; V556-Q582 HydrophobicContact CG2-CB 3.79Å; Q582-S600 WeakPolarHBondContact CA-O 3.47Å; Q582-S600 VanDerWaalsContact CB-O 3.26Å; Q582-S600 WeakPolarHBondContact CB-O 3.32Å; Q582-L601 HydrophobicContact CB-CD1 3.96Å
583	H	93.6	Very high	88.4	Confident	66 Å²	66	56.1 Å²	56.1	31%	0.306	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.7	173.3	-163.1	-123.1	0	0	0	110.9	S600 K637 M638 S639 L640	H583-S600 PolarHBondContact N-O 3.24Å; H583-S600 VanDerWaalsContact N-O 3.14Å; H583-S600 PolarHBondContact N-OG 3.37Å; H583-S600 PolarHBondContact O-N 2.87Å; H583-S600 PolarHBondContact O-OG 2.87Å; H583-K637 PolarHBondContact CE1-O 2.85Å; H583-M638 HydrophobicContact CB-CG 4.34Å; H583-S639 WeakPolarHBondContact CB-O 3.47Å; H583-S639 VanDerWaalsContact CG-O 3.32Å; H583-S639 PolarHBondContact ND1-N 2.87Å; H583-L640 HydrophobicContact CB-CD2 4.08Å
584	I	94.3	Very high	87.9	Confident	53 Å²	53	50 Å²	50	27%	0.272	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.8	178.4	67	-179	0	0	0	109.3	T496 V556 L558 V599	T496-I584 HydrophobicContact CG2-CD1 3.69Å; V556-I584 HydrophobicContact CG1-CG2 3.8Å; L558-I584 HydrophobicContact CB-CB 4.2Å; L558-I584 HydrophobicContact CB-CG2 4.32Å; L558-I584 HydrophobicContact CD1-CD1 4.16Å; L558-I584 HydrophobicContact CD2-CB 4.45Å; I584-V599 HydrophobicContact CB-CG1 4.44Å; I584-V599 HydrophobicContact CG2-CB 4.31Å; I584-V599 HydrophobicContact CG2-CG1 3.83Å
585	V	94.9	Very high	87.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	105.6	179	-178.9	0	0	0	0	109.4	T587 G597 G598 I634 K637 M638	V585-T587 HydrophobicContact CG1-CG2 4.18Å; V585-G597 CarbonylContact O-C 3.57Å; V585-G597 WeakPolarHBondContact O-CA 3.46Å; V585-G598 PolarHBondContact N-O 3.23Å; V585-G598 PolarHBondContact O-N 2.88Å; V585-I634 HydrophobicContact CB-CG1 4.4Å; V585-I634 HydrophobicContact CG1-CG1 4.31Å; V585-K637 HydrophobicContact CG1-CB 3.78Å; V585-K637 HydrophobicContact CG1-CD 3.88Å; V585-K637 HydrophobicContact CG1-CG 4.48Å; V585-K637 HydrophobicContact CG2-CB 3.93Å; V585-M638 HydrophobicContact CG2-CB 3.89Å; V585-M638 HydrophobicContact CG2-CE 4.05Å
586	P	94	Very high	87.6	Confident	30 Å²	30	50 Å²	50	20%	0.195	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.6	170.2	28.9	-31.7	0	0	0	111.3	L558 V592 L593	L558-P586 HydrophobicContact CD1-CB 4.4Å; L558-P586 HydrophobicContact CD2-CB 4.2Å; P586-V592 WeakPolarHBondContact CB-O 3.33Å; P586-V592 WeakPolarHBondContact CG-O 3.42Å; P586-L593 WeakPolarHBondContact CB-O 3.42Å
587	T	94.4	Very high	87.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.			trans	-134.9	16	175.1	68.7	0	0	0	0	112.1	V585 K596 G597 R626 D630 E633 I634	V585-T587 HydrophobicContact CG1-CG2 4.18Å; T587-K596 PolarHBondContact N-O 2.9Å; T587-G597 WeakPolarHBondContact OG1-CA 3.48Å; T587-G597 PolarHBondContact OG1-N 2.77Å; T587-G597 VanDerWaalsContact OG1-N 3.15Å; T587-R626 PolarHBondContact O-NH2 2.93Å; T587-D630 HydrophobicContact CG2-CB 4.48Å; T587-E633 HydrophobicContact CG2-CB 3.98Å; T587-I634 HydrophobicContact CG2-CD1 4.4Å; T587-I634 HydrophobicContact CG2-CG1 3.84Å
588	G	87.9	Confident	88.4	Confident	5 Å²	5	40.6 Å²	40.6	5%	0.052	22%	0.218	C	C	.	.	S	Bend	trans	-71.5	-141.3	179.3	0	0	0	0	0	113.2	L590 N591 L593 N595 K596 R626	G588-L590 PolarHBondContact O-N 2.9Å; G588-L590 VanDerWaalsContact O-N 3.12Å; G588-N591 PolarHBondContact O-N 3.17Å; G588-L593 WeakPolarHBondContact CA-O 3.36Å; G588-L593 PolarHBondContact N-O 2.83Å; G588-N595 VanDerWaalsContact CA-OD1 3.28Å; G588-N595 WeakPolarHBondContact CA-OD1 3.43Å; G588-K596 PolarHBondContact N-O 2.81Å; G588-R626 PolarHBondContact O-NH2 3.1Å
589	V	80.3	Confident	88.9	Confident	82 Å²	82	36.5 Å²	36.5	50%	0.497	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-53.8	124.7	-179.7	-178.1	0	0	0	0	109.2	N591 V592 L593 N595	V589-N591 PolarHBondContact O-N 2.96Å; V589-N591 VanDerWaalsContact O-N 3.09Å; V589-V592 PolarHBondContact O-N 2.89Å; V589-L593 HydrophobicContact CB-CB 4.27Å; V589-L593 HydrophobicContact CB-CD1 3.84Å; V589-L593 HydrophobicContact CB-CG 4.08Å; V589-L593 HydrophobicContact CG2-CD1 4.18Å; V589-L593 PolarHBondContact O-N 2.7Å; V589-N595 PolarHBondContact N-OD1 2.87Å
590	L	77	Confident	89.4	Confident	157 Å²	157	35.5 Å²	35.5	82%	0.822	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	55.1	20.6	-177	-58.6	172.9	0	0	0	115.4	G588 V592	G588-L590 PolarHBondContact O-N 2.9Å; G588-L590 VanDerWaalsContact O-N 3.12Å; L590-V592 HydrophobicContact CB-CG2 4.49Å; L590-V592 PolarHBondContact O-N 3.24Å
591	N	76.7	Confident	89.7	Confident	36 Å²	36	34.3 Å²	34.3	19%	0.193	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	59.9	22.1	-171.4	-59.5	-24.8	0	0	0	114.6	G588 V589 R626	G588-N591 PolarHBondContact O-N 3.17Å; V589-N591 PolarHBondContact O-N 2.96Å; V589-N591 VanDerWaalsContact O-N 3.09Å; N591-R626 PolarHBondContact OD1-NH1 2.87Å; N591-R626 PolarHBondContact OD1-NH2 2.82Å
592	V	73.5	Confident	89.9	Confident	91 Å²	91	33.7 Å²	33.7	55%	0.552	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-37.1	-179.3	-178.2	0	0	0	0	111.4	N494 P586 V589 L590	N494-V592 PolarHBondContact ND2-O 3.21Å; P586-V592 WeakPolarHBondContact CB-O 3.33Å; P586-V592 WeakPolarHBondContact CG-O 3.42Å; V589-V592 PolarHBondContact O-N 2.89Å; L590-V592 HydrophobicContact CB-CG2 4.49Å; L590-V592 PolarHBondContact O-N 3.24Å
593	L	79.5	Confident	90	Very high	42 Å²	42	30.4 Å²	30.4	22%	0.22	17%	0.166	C	C	.	.	S	Bend	trans	-84.8	146.7	-177.4	-58.2	-167.8	0	0	0	112.7	T492 N494 P586 G588 V589 N595	T492-L593 HydrophobicContact CG2-CD1 4.45Å; N494-L593 WeakPolarHBondContact OD1-CA 3.49Å; P586-L593 WeakPolarHBondContact CB-O 3.42Å; G588-L593 WeakPolarHBondContact CA-O 3.36Å; G588-L593 PolarHBondContact N-O 2.83Å; V589-L593 HydrophobicContact CB-CB 4.27Å; V589-L593 HydrophobicContact CB-CD1 3.84Å; V589-L593 HydrophobicContact CB-CG 4.08Å; V589-L593 HydrophobicContact CG2-CD1 4.18Å; V589-L593 PolarHBondContact O-N 2.7Å; L593-N595 VanDerWaalsContact C-N 3.29Å; L593-N595 VanDerWaalsContact CB-OD1 3.31Å; L593-N595 WeakPolarHBondContact CB-OD1 3.48Å; L593-N595 PolarHBondContact O-N 2.9Å
594	G	83.5	Confident	90	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	10.9	-174.9	0	0	0	0	0	113.9	N494 A559 K596	N494-G594 WeakPolarHBondContact OD1-CA 3.29Å; N494-G594 PolarHBondContact OD1-N 2.87Å; A559-G594 WeakPolarHBondContact CB-O 3.4Å; G594-K596 PolarHBondContact O-N 2.97Å
595	N	88.9	Confident	90	Very high	45 Å²	45	24.7 Å²	24.7	24%	0.241	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.4	172.6	59.8	-63.8	0	0	0	113.2	I491 G588 V589 L593	I491-N595 HydrophobicContact CD1-CB 4.48Å; I491-N595 HydrophobicContact CG2-CB 3.61Å; G588-N595 VanDerWaalsContact CA-OD1 3.28Å; G588-N595 WeakPolarHBondContact CA-OD1 3.43Å; V589-N595 PolarHBondContact N-OD1 2.87Å; L593-N595 VanDerWaalsContact C-N 3.29Å; L593-N595 VanDerWaalsContact CB-OD1 3.31Å; L593-N595 WeakPolarHBondContact CB-OD1 3.48Å; L593-N595 PolarHBondContact O-N 2.9Å
596	K	95.6	Very high	89.9	Confident	29 Å²	29	26.2 Å²	26.2	13%	0.126	15%	0.145	C	C	.	.	S	Bend	trans	-142.7	157.6	170.8	-59.9	-67	176.3	-101.2	0	108.6	T587 G588 G594 H616 L617	T587-K596 PolarHBondContact N-O 2.9Å; G588-K596 PolarHBondContact N-O 2.81Å; G594-K596 PolarHBondContact O-N 2.97Å; K596-H616 CarbonylContact C-O 3.48Å; K596-H616 VanDerWaalsContact CA-O 3.25Å; K596-H616 WeakPolarHBondContact CA-O 3.22Å; K596-H616 VanDerWaalsContact CB-O 3.27Å; K596-H616 WeakPolarHBondContact CB-O 3.46Å; K596-H616 HydrophobicContact CD-CB 4.43Å; K596-H616 VanDerWaalsContact CD-O 3.25Å; K596-H616 WeakPolarHBondContact CD-O 3.49Å; K596-H616 VanDerWaalsContact CE-NE2 3.33Å; K596-H616 WeakPolarHBondContact CE-NE2 3.16Å; K596-H616 PolarHBondContact NZ-CE1 2.89Å; K596-H616 PolarHBondContact NZ-NE2 3.04Å; K596-L617 WeakPolarHBondContact CD-O 3.37Å; K596-L617 WeakPolarHBondContact CE-O 3.39Å
597	G	96.8	Very high	89.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.5	-153.5	-177.5	0	0	0	0	0	112.9	V585 T587 C615 H616	V585-G597 CarbonylContact O-C 3.57Å; V585-G597 WeakPolarHBondContact O-CA 3.46Å; T587-G597 WeakPolarHBondContact OG1-CA 3.48Å; T587-G597 PolarHBondContact OG1-N 2.77Å; T587-G597 VanDerWaalsContact OG1-N 3.15Å; G597-C615 CarbonylContact O-C 3.54Å; G597-C615 WeakPolarHBondContact O-CA 3.49Å; G597-H616 PolarHBondContact N-O 2.74Å; G597-H616 PolarHBondContact O-N 3.35Å
598	G	97.6	Very high	89.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.8	176.1	0	0	0	0	0	112.9	V585 N614	V585-G598 PolarHBondContact N-O 3.23Å; V585-G598 PolarHBondContact O-N 2.88Å; G598-N614 CarbonylContact C-O 3.48Å; G598-N614 WeakPolarHBondContact CA-O 3.31Å
599	V	97.2	Very high	90	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.7	167.5	-58.5	0	0	0	0	108.7	V556 L558 I561 M563 I584 V613 N614	V556-V599 HydrophobicContact CB-CB 4.25Å; V556-V599 HydrophobicContact CG1-CB 3.87Å; V556-V599 HydrophobicContact CG1-CG1 4.35Å; L558-V599 HydrophobicContact CB-CG1 3.54Å; I561-V599 HydrophobicContact CB-CG1 4.37Å; I561-V599 HydrophobicContact CG2-CG1 4.16Å; I561-V599 HydrophobicContact CG2-CG2 4.03Å; M563-V599 HydrophobicContact CB-CG2 3.71Å; I584-V599 HydrophobicContact CB-CG1 4.44Å; I584-V599 HydrophobicContact CG2-CB 4.31Å; I584-V599 HydrophobicContact CG2-CG1 3.83Å; V599-V613 WeakPolarHBondContact O-CA 3.44Å; V599-N614 HydrophobicContact CG2-CB 3.86Å; V599-N614 PolarHBondContact N-O 2.88Å; V599-N614 PolarHBondContact O-N 3.3Å
600	S	97.2	Very high	90.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.2	177.8	58.3	0	0	0	0	113.7	Q582 H583 F612 M638	Q582-S600 WeakPolarHBondContact CA-O 3.47Å; Q582-S600 VanDerWaalsContact CB-O 3.26Å; Q582-S600 WeakPolarHBondContact CB-O 3.32Å; H583-S600 PolarHBondContact N-O 3.24Å; H583-S600 VanDerWaalsContact N-O 3.14Å; H583-S600 PolarHBondContact N-OG 3.37Å; H583-S600 PolarHBondContact O-N 2.87Å; H583-S600 PolarHBondContact O-OG 2.87Å; S600-F612 WeakPolarHBondContact CA-O 3.33Å; S600-F612 WeakPolarHBondContact CB-O 3.48Å; S600-M638 WeakPolarHBondContact CB-SD 3.47Å; S600-M638 WeakPolarHBondContact OG-CE 3.37Å; S600-M638 WeakPolarHBondContact OG-CG 3.07Å; S600-M638 PolarHBondContact OG-SD 3.24Å
601	L	96.2	Very high	91.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123	171.4	-174.4	74.9	0	0	0	106.7	R554 V556 M563 V565 I580 S581 Q582 L603 F612	R554-L601 HydrophobicContact CB-CD1 3.72Å; R554-L601 HydrophobicContact CB-CD2 4.01Å; R554-L601 HydrophobicContact CG-CD1 3.92Å; V556-L601 HydrophobicContact CG2-CB 4.21Å; V556-L601 HydrophobicContact CG2-CD1 4.2Å; M563-L601 HydrophobicContact CE-CB 3.42Å; M563-L601 VanDerWaalsContact CE-CB 3.42Å; V565-L601 HydrophobicContact CB-CD2 3.65Å; V565-L601 HydrophobicContact CG1-CD2 4.34Å; V565-L601 HydrophobicContact CG2-CD2 3.41Å; V565-L601 VanDerWaalsContact CG2-CD2 3.41Å; I580-L601 HydrophobicContact CG2-CD1 3.84Å; S581-L601 CarbonylContact O-C 3.6Å; S581-L601 WeakPolarHBondContact O-CA 3.3Å; Q582-L601 HydrophobicContact CB-CD1 3.96Å; L601-L603 HydrophobicContact CD2-CD2 4.36Å; L601-F612 PolarHBondContact N-O 3.27Å; L601-F612 PolarHBondContact O-N 3.48Å
602	R	95	Very high	92.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150	167.2	70.1	92.1	61.3	-166.2	-11.9	110.6	E579 I580 S581 T604 L610 C611 L640 F642 H661	E579-R602 WeakPolarHBondContact O-CD 3.4Å; E579-R602 PolarHBondContact O-NH1 2.83Å; E579-R602 IonicContact OE2-NH1 3.88Å; E579-R602 PolarHBondContact OE2-NH1 2.73Å; I580-R602 WeakPolarHBondContact CA-O 3.4Å; S581-R602 PolarHBondContact N-O 2.83Å; S581-R602 PolarHBondContact O-N 3Å; R602-T604 PolarHBondContact NH1-OG1 3.29Å; R602-L610 VanDerWaalsContact CA-O 3.24Å; R602-L610 WeakPolarHBondContact CA-O 3.3Å; R602-C611 HydrophobicContact CB-CB 4.3Å; R602-L640 HydrophobicContact CB-CD1 3.95Å; R602-L640 HydrophobicContact CB-CD2 4.37Å; R602-L640 HydrophobicContact CG-CB 3.82Å; R602-L640 HydrophobicContact CG-CD1 3.92Å; R602-L640 HydrophobicContact CG-CD2 3.83Å; R602-L640 HydrophobicContact CG-CG 4.06Å; R602-F642 VanDerWaalsContact CZ-CZ 3.5Å; R602-H661 VanDerWaalsContact CB-NE2 3.28Å; R602-H661 WeakPolarHBondContact CB-NE2 3.26Å; R602-H661 PolarHBondContact NE-NE2 3.2Å; R602-H661 PolarHBondContact NH2-CD2 3.36Å; R602-H661 PolarHBondContact NH2-NE2 2.55Å
603	L	95.3	Very high	93.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.6	179	56	84.2	0	0	0	108.9	L476 I553 V565 L575 I580 L601 I605 L610 F612	L476-L603 HydrophobicContact CD2-CD1 4.43Å; L476-L603 HydrophobicContact CD2-CD2 4.38Å; I553-L603 HydrophobicContact CD1-CD2 3.61Å; V565-L603 HydrophobicContact CG1-CD2 4.29Å; L575-L603 HydrophobicContact CD1-CB 4.02Å; L575-L603 HydrophobicContact CD1-CD1 4.14Å; L575-L603 HydrophobicContact CD1-CD2 4.46Å; L575-L603 HydrophobicContact CD1-CG 4.45Å; I580-L603 HydrophobicContact CG1-CB 4.16Å; L601-L603 HydrophobicContact CD2-CD2 4.36Å; L603-I605 HydrophobicContact CD1-CD1 3.8Å; L603-I605 HydrophobicContact CD1-CG1 3.51Å; L603-L610 HydrophobicContact CD1-CB 4.05Å; L603-L610 HydrophobicContact CD1-CD1 4.05Å; L603-L610 HydrophobicContact CD1-CG 4.33Å; L603-L610 PolarHBondContact N-O 2.8Å; L603-L610 PolarHBondContact O-N 2.99Å; L603-L610 VanDerWaalsContact O-O 3.12Å; L603-F612 HydrophobicContact CD2-CE2 4.23Å; L603-F612 HydrophobicContact CG-CE2 4.34Å
604	T	93.8	Very high	94.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.7	171.2	-51.4	0	0	0	0	110.3	R576 E579 R602 T608	R576-T604 PolarHBondContact N-O 2.89Å; R576-T604 VanDerWaalsContact NE-CG2 3.33Å; R576-T604 PolarHBondContact NH2-OG1 2.65Å; E579-T604 VanDerWaalsContact OE2-CB 3.23Å; E579-T604 WeakPolarHBondContact OE2-CB 3.49Å; E579-T604 PolarHBondContact OE2-OG1 2.8Å; R602-T604 PolarHBondContact NH1-OG1 3.29Å; T604-T608 VanDerWaalsContact CG2-C 3.44Å; T604-T608 VanDerWaalsContact CG2-O 3.27Å; T604-T608 WeakPolarHBondContact CG2-O 3.29Å
605	I	95.1	Very high	95.5	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128	172.9	-50.3	179.7	0	0	0	106.9	I442 L476 I567 L571 H574 L575 L603 N607 T608 L610	I442-I605 HydrophobicContact CD1-CD1 3.82Å; L476-I605 HydrophobicContact CD1-CD1 3.38Å; L476-I605 HydrophobicContact CD2-CD1 4.02Å; L476-I605 HydrophobicContact CG-CD1 4.36Å; I567-I605 HydrophobicContact CD1-CD1 4.22Å; L571-I605 HydrophobicContact CD1-CG2 3.99Å; L571-I605 HydrophobicContact CD2-CD1 4.17Å; L571-I605 HydrophobicContact CD2-CG2 4.26Å; L571-I605 HydrophobicContact CG-CG2 4.11Å; H574-I605 HydrophobicContact CB-CG2 4.15Å; H574-I605 WeakPolarHBondContact O-CA 3.3Å; L575-I605 HydrophobicContact CD1-CG1 4.2Å; L603-I605 HydrophobicContact CD1-CD1 3.8Å; L603-I605 HydrophobicContact CD1-CG1 3.51Å; I605-N607 PolarHBondContact O-N 3.02Å; I605-N607 VanDerWaalsContact O-N 3.16Å; I605-T608 PolarHBondContact N-O 2.91Å; I605-T608 PolarHBondContact O-N 3.16Å; I605-L610 HydrophobicContact CD1-CD1 4Å; I605-L610 HydrophobicContact CG1-CD1 4.45Å
606	F	92.6	Very high	96	Very high	34 Å²	34	7.3 Å²	7.3	15%	0.149	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-118.2	-163.7	-55	-86.1	0	0	0	109.7	L571 H574 R576 V782 Y783	L571-F606 HydrophobicContact CD1-CE2 3.9Å; L571-F606 HydrophobicContact CD1-CZ 4.31Å; H574-F606 HydrophobicContact CB-CD1 3.96Å; H574-F606 HydrophobicContact CB-CD2 4.18Å; H574-F606 HydrophobicContact CB-CE1 3.74Å; H574-F606 HydrophobicContact CB-CE2 3.95Å; H574-F606 HydrophobicContact CB-CG 4.17Å; H574-F606 HydrophobicContact CB-CZ 3.71Å; H574-F606 AromaticContact CD2-CE1 3.41Å; H574-F606 VanDerWaalsContact CD2-CE1 3.41Å; H574-F606 WeakPolarHBondContact CD2-CE1 3.39Å; H574-F606 AromaticContact CD2-CZ 3.14Å; H574-F606 WeakPolarHBondContact CD2-CZ 3.3Å; H574-F606 AromaticContact CE1-CE1 3.48Å; H574-F606 VanDerWaalsContact CE1-CE1 3.48Å; H574-F606 WeakPolarHBondContact CE1-CE1 3.12Å; H574-F606 AromaticContact CG-CD1 3.83Å; H574-F606 AromaticContact CG-CE1 3.19Å; H574-F606 AromaticContact CG-CZ 3.3Å; H574-F606 AromaticContact ND1-CD1 3.81Å; H574-F606 AromaticContact ND1-CE1 3.25Å; H574-F606 WeakPolarHBondContact ND1-CE1 3.41Å; H574-F606 AromaticContact ND1-CZ 3.85Å; H574-F606 AromaticContact NE2-CE1 3.55Å; H574-F606 AromaticContact NE2-CZ 3.59Å; H574-F606 PolarHBondContact O-N 3.19Å; R576-F606 PolarHBondContact NE-O 2.85Å; F606-V782 HydrophobicContact CD2-CB 4.13Å; F606-V782 HydrophobicContact CD2-CG2 3.52Å; F606-V782 HydrophobicContact CE2-CG2 3.79Å; F606-Y783 WeakPolarHBondContact CB-O 3.34Å
607	N	90.6	Very high	96.1	Very high	75 Å²	75	5.9 Å²	5.9	40%	0.401	3%	0.031	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	11.3	176.8	-51.9	-60.2	0	0	0	113	I605 Y783	I605-N607 PolarHBondContact O-N 3.02Å; I605-N607 VanDerWaalsContact O-N 3.16Å; N607-Y783 WeakPolarHBondContact CA-O 3.41Å; N607-Y783 HydrophobicContact CB-CD2 3.72Å; N607-Y783 HydrophobicContact CB-CE2 3.58Å; N607-Y783 WeakPolarHBondContact CB-O 3.13Å; N607-Y783 PolarHBondContact N-O 3.34Å; N607-Y783 PolarHBondContact ND2-O 2.97Å; N607-Y783 PolarHBondContact ND2-OXT 3Å; N607-Y783 VanDerWaalsContact O-CZ 3.3Å; N607-Y783 PolarHBondContact O-OH 3.23Å
608	T	93.3	Very high	96.1	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.012	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117	-178.3	-55.1	0	0	0	0	111.8	T604 I605 L610 D662 V782 Y783	T604-T608 VanDerWaalsContact CG2-C 3.44Å; T604-T608 VanDerWaalsContact CG2-O 3.27Å; T604-T608 WeakPolarHBondContact CG2-O 3.29Å; I605-T608 PolarHBondContact N-O 2.91Å; I605-T608 PolarHBondContact O-N 3.16Å; T608-L610 HydrophobicContact CG2-CD2 4.24Å; T608-D662 HydrophobicContact CG2-CB 3.92Å; T608-V782 HydrophobicContact CG2-CG1 4.08Å; T608-V782 VanDerWaalsContact OG1-CA 3.25Å; T608-V782 WeakPolarHBondContact OG1-CA 3.46Å; T608-Y783 HydrophobicContact CG2-CE1 4.44Å; T608-Y783 WeakPolarHBondContact OG1-CD1 3.48Å; T608-Y783 VanDerWaalsContact OG1-CE1 3.24Å; T608-Y783 WeakPolarHBondContact OG1-CE1 3.17Å; T608-Y783 PolarHBondContact OG1-N 2.79Å
609	S	93.4	Very high	95.9	Very high	9 Å²	9	8.3 Å²	8.3	6%	0.063	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.5	-179.9	59.6	0	0	0	0	111.7	H661 D662 V663	S609-H661 WeakPolarHBondContact OG-CA 3.28Å; S609-D662 PolarHBondContact N-OD2 2.95Å; S609-D662 WeakPolarHBondContact O-CB 3.43Å; S609-D662 PolarHBondContact O-N 2.81Å; S609-D662 PolarHBondContact OG-N 3.41Å; S609-D662 PolarHBondContact OG-OD2 3.34Å; S609-V663 PolarHBondContact O-N 3.35Å; S609-V663 VanDerWaalsContact O-N 3.17Å
610	L	96.2	Very high	95.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.3	177.5	-53.8	-179.7	0	0	0	109.2	I442 L476 R602 L603 I605 T608 F612 V663 V780	I442-L610 HydrophobicContact CD1-CD1 4.2Å; L476-L610 HydrophobicContact CD2-CD1 4.35Å; R602-L610 VanDerWaalsContact CA-O 3.24Å; R602-L610 WeakPolarHBondContact CA-O 3.3Å; L603-L610 HydrophobicContact CD1-CB 4.05Å; L603-L610 HydrophobicContact CD1-CD1 4.05Å; L603-L610 HydrophobicContact CD1-CG 4.33Å; L603-L610 PolarHBondContact N-O 2.8Å; L603-L610 PolarHBondContact O-N 2.99Å; L603-L610 VanDerWaalsContact O-O 3.12Å; I605-L610 HydrophobicContact CD1-CD1 4Å; I605-L610 HydrophobicContact CG1-CD1 4.45Å; T608-L610 HydrophobicContact CG2-CD2 4.24Å; L610-F612 HydrophobicContact CB-CE2 3.9Å; L610-F612 HydrophobicContact CB-CZ 4.06Å; L610-F612 HydrophobicContact CD1-CE2 4.47Å; L610-F612 HydrophobicContact CD1-CZ 4.15Å; L610-V663 WeakPolarHBondContact CA-O 3.35Å; L610-V663 HydrophobicContact CD2-CB 3.67Å; L610-V663 HydrophobicContact CD2-CG1 4.42Å; L610-V663 HydrophobicContact CD2-CG2 4.01Å; L610-V780 HydrophobicContact CD2-CG1 4.09Å
611	C	96.6	Very high	94.8	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.2	171.6	-175.1	0	0	0	0	110.9	R602 I658 H661 V663 I664 F665	R602-C611 HydrophobicContact CB-CB 4.3Å; C611-I658 HydrophobicContact CB-CG2 4.49Å; C611-H661 HydrophobicContact CB-CB 3.93Å; C611-V663 PolarHBondContact N-O 3.37Å; C611-I664 HydrophobicContact CB-CG1 4.39Å; C611-I664 HydrophobicContact CB-CG2 4.47Å; C611-I664 CarbonylContact O-C 3.59Å; C611-I664 WeakPolarHBondContact O-CA 3.44Å; C611-F665 PolarHBondContact O-N 2.84Å
612	F	98.3	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132	176.4	-57.6	-76.9	0	0	0	109	V444 I446 L476 V478 M563 S600 L601 L603 L610 F665 F667	V444-F612 HydrophobicContact CG1-CE1 4Å; V444-F612 HydrophobicContact CG1-CZ 4.26Å; I446-F612 HydrophobicContact CD1-CD1 4.35Å; I446-F612 HydrophobicContact CD1-CE1 4.29Å; L476-F612 HydrophobicContact CD2-CE2 3.95Å; L476-F612 HydrophobicContact CD2-CZ 3.84Å; V478-F612 HydrophobicContact CB-CD1 4.25Å; V478-F612 HydrophobicContact CB-CE1 4.46Å; V478-F612 HydrophobicContact CG1-CB 4.05Å; V478-F612 HydrophobicContact CG1-CD1 3.8Å; V478-F612 HydrophobicContact CG1-CE1 4.49Å; V478-F612 HydrophobicContact CG1-CG 3.93Å; V478-F612 HydrophobicContact CG2-CD1 3.74Å; V478-F612 HydrophobicContact CG2-CD2 4.23Å; V478-F612 HydrophobicContact CG2-CE1 3.61Å; V478-F612 HydrophobicContact CG2-CE2 4.09Å; V478-F612 HydrophobicContact CG2-CG 4.06Å; V478-F612 HydrophobicContact CG2-CZ 3.78Å; M563-F612 HydrophobicContact CE-CB 4.1Å; M563-F612 HydrophobicContact SD-CB 3.66Å; S600-F612 WeakPolarHBondContact CA-O 3.33Å; S600-F612 WeakPolarHBondContact CB-O 3.48Å; L601-F612 PolarHBondContact N-O 3.27Å; L601-F612 PolarHBondContact O-N 3.48Å; L603-F612 HydrophobicContact CD2-CE2 4.23Å; L603-F612 HydrophobicContact CG-CE2 4.34Å; L610-F612 HydrophobicContact CB-CE2 3.9Å; L610-F612 HydrophobicContact CB-CZ 4.06Å; L610-F612 HydrophobicContact CD1-CE2 4.47Å; L610-F612 HydrophobicContact CD1-CZ 4.15Å; F612-F665 CarbonylContact C-O 3.59Å; F612-F665 HydrophobicContact CD1-CB 3.91Å; F612-F665 AromaticContact CD1-CD2 3.9Å; F612-F665 HydrophobicContact CD1-CD2 3.9Å; F612-F665 HydrophobicContact CD1-CG 4.27Å; F612-F665 HydrophobicContact CE1-CB 4.34Å; F612-F665 AromaticContact CE1-CD2 3.47Å; F612-F665 HydrophobicContact CE1-CD2 3.47Å; F612-F665 VanDerWaalsContact CE1-CD2 3.47Å; F612-F665 HydrophobicContact CE1-CE2 4.06Å; F612-F665 HydrophobicContact CE1-CG 4.2Å; F612-F665 HydrophobicContact CZ-CD2 4.41Å; F612-F667 HydrophobicContact CB-CE1 4.16Å
613	V	98.5	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	108	-179.4	-167.7	0	0	0	0	108.7	V599 I634 M638 I658 F665 L666 F667	V599-V613 WeakPolarHBondContact O-CA 3.44Å; V613-I634 HydrophobicContact CG1-CG2 4.17Å; V613-M638 HydrophobicContact CG1-CE 4.05Å; V613-M638 HydrophobicContact CG1-SD 3.87Å; V613-M638 HydrophobicContact CG2-SD 4.12Å; V613-I658 HydrophobicContact CG2-CD1 4.17Å; V613-I658 HydrophobicContact CG2-CG2 4.04Å; V613-F665 PolarHBondContact N-O 2.91Å; V613-L666 HydrophobicContact CB-CG 4.46Å; V613-L666 WeakPolarHBondContact O-CA 3.43Å; V613-F667 WeakPolarHBondContact O-CD1 3.28Å; V613-F667 PolarHBondContact O-N 2.84Å
614	N	98.8	Very high	94.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.1	171.6	177.8	20	0	0	0	109.4	G480 L481 Q482 M562 M563 G598 V599 F667	G480-N614 VanDerWaalsContact CA-ND2 3.3Å; G480-N614 WeakPolarHBondContact CA-ND2 3.38Å; L481-N614 PolarHBondContact N-ND2 2.93Å; L481-N614 PolarHBondContact O-ND2 3.47Å; L481-N614 VanDerWaalsContact O-ND2 3.17Å; Q482-N614 PolarHBondContact NE2-OD1 3.03Å; M562-N614 PolarHBondContact O-ND2 3.17Å; M563-N614 HydrophobicContact CB-CB 4.06Å; M563-N614 HydrophobicContact CG-CB 4.49Å; M563-N614 HydrophobicContact SD-CB 4.22Å; G598-N614 CarbonylContact C-O 3.48Å; G598-N614 WeakPolarHBondContact CA-O 3.31Å; V599-N614 HydrophobicContact CG2-CB 3.86Å; V599-N614 PolarHBondContact N-O 2.88Å; V599-N614 PolarHBondContact O-N 3.3Å; N614-F667 CarbonylContact C-O 3.52Å; N614-F667 WeakPolarHBondContact CA-O 3.47Å; N614-F667 HydrophobicContact CB-CE1 4.43Å; N614-F667 HydrophobicContact CB-CE2 3.96Å; N614-F667 HydrophobicContact CB-CZ 3.88Å
615	C	98.6	Very high	94.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.7	-175.8	-66.2	0	0	0	0	112.3	G597 L617 F667 G668 D669 L670	G597-C615 CarbonylContact O-C 3.54Å; G597-C615 WeakPolarHBondContact O-CA 3.49Å; C615-L617 HydrophobicContact CB-CD2 3.95Å; C615-L617 HydrophobicContact CB-CG 4.3Å; C615-F667 PolarHBondContact N-O 3.04Å; C615-G668 WeakPolarHBondContact O-CA 3.39Å; C615-D669 PolarHBondContact O-N 2.88Å; C615-D669 VanDerWaalsContact O-N 3.15Å; C615-L670 HydrophobicContact CB-CD2 3.72Å
616	H	98.6	Very high	94.4	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.019	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	99.1	162.3	-171.9	177.7	0	0	0	108.2	Q482 E483 I561 K596 G597 D669	Q482-H616 HydrophobicContact CB-CB 4.27Å; Q482-H616 HydrophobicContact CG-CB 3.84Å; E483-H616 VanDerWaalsContact CG-CE1 3.44Å; E483-H616 WeakPolarHBondContact CG-CE1 3.31Å; E483-H616 IonicContact OE1-CE1 3.81Å; E483-H616 PolarHBondContact OE1-CE1 2.98Å; E483-H616 VanDerWaalsContact OE1-CE1 3.26Å; E483-H616 IonicContact OE1-NE2 3.09Å; I561-H616 HydrophobicContact CD1-CB 3.63Å; I561-H616 HydrophobicContact CG1-CB 3.79Å; K596-H616 CarbonylContact C-O 3.48Å; K596-H616 VanDerWaalsContact CA-O 3.25Å; K596-H616 WeakPolarHBondContact CA-O 3.22Å; K596-H616 VanDerWaalsContact CB-O 3.27Å; K596-H616 WeakPolarHBondContact CB-O 3.46Å; K596-H616 HydrophobicContact CD-CB 4.43Å; K596-H616 VanDerWaalsContact CD-O 3.25Å; K596-H616 WeakPolarHBondContact CD-O 3.49Å; K596-H616 VanDerWaalsContact CE-NE2 3.33Å; K596-H616 WeakPolarHBondContact CE-NE2 3.16Å; K596-H616 PolarHBondContact NZ-CE1 2.89Å; K596-H616 PolarHBondContact NZ-NE2 3.04Å; G597-H616 PolarHBondContact N-O 2.74Å; G597-H616 PolarHBondContact O-N 3.35Å; H616-D669 WeakPolarHBondContact CA-O 3.5Å; H616-D669 IonicContact CD2-OD2 2.62Å; H616-D669 IonicContact NE2-OD2 3.08Å
617	L	98.1	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-91.5	164.2	-173.5	-50.6	-175.6	0	0	0	112	K596 C615 A619 R627 D630 I634 D669 L670 N671 Y672	K596-L617 WeakPolarHBondContact CD-O 3.37Å; K596-L617 WeakPolarHBondContact CE-O 3.39Å; C615-L617 HydrophobicContact CB-CD2 3.95Å; C615-L617 HydrophobicContact CB-CG 4.3Å; L617-A619 PolarHBondContact O-N 3.44Å; L617-R627 HydrophobicContact CB-CB 4.44Å; L617-R627 HydrophobicContact CB-CG 4.14Å; L617-D630 HydrophobicContact CD2-CB 3.92Å; L617-I634 HydrophobicContact CD2-CD1 3.69Å; L617-D669 PolarHBondContact N-O 2.89Å; L617-L670 HydrophobicContact CD1-CB 4.13Å; L617-L670 HydrophobicContact CD1-CD2 4.11Å; L617-L670 HydrophobicContact CG-CD2 4.24Å; L617-N671 PolarHBondContact O-ND2 2.68Å; L617-N671 VanDerWaalsContact O-ND2 3.15Å; L617-Y672 HydrophobicContact CD1-CE2 4.07Å
618	A	97.2	Very high	94.9	Very high	10 Å²	10	35 Å²	35	8%	0.083	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-51.4	130	-176.2	0	0	0	0	0	114.7	R626 R627 D630 N671	A618-R626 HydrophobicContact CB-CB 4.15Å; A618-R626 HydrophobicContact CB-CG 3.42Å; A618-R626 VanDerWaalsContact CB-CG 3.42Å; A618-R627 HydrophobicContact CB-CG 4.27Å; A618-R627 WeakPolarHBondContact O-CD 3.49Å; A618-R627 WeakPolarHBondContact O-CG 3.46Å; A618-R627 PolarHBondContact O-NH1 2.96Å; A618-D630 VanDerWaalsContact CB-OD2 3.25Å; A618-D630 WeakPolarHBondContact CB-OD2 3.43Å; A618-D630 PolarHBondContact N-OD2 2.55Å; A618-N671 WeakPolarHBondContact O-CB 3.3Å
619	A	94.2	Very high	95	Very high	40 Å²	40	39 Å²	39	33%	0.331	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-87	150.9	177.3	0	0	0	0	0	112.3	L617 K623	L617-A619 PolarHBondContact O-N 3.44Å; A619-K623 WeakPolarHBondContact O-CD 3.32Å
620	G	89.3	Confident	95.1	Very high	19 Å²	19	38.6 Å²	38.6	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	133.4	146.5	176	0	0	0	0	0	112.4	E622 R627	G620-E622 VanDerWaalsContact C-N 3.32Å; G620-E622 PolarHBondContact O-N 3.4Å; G620-R627 PolarHBondContact O-NH1 3.49Å; G620-R627 PolarHBondContact O-NH2 2.73Å
621	K	81.8	Confident	95.1	Very high	112 Å²	112	39.5 Å²	39.5	49%	0.487	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.1	-175.3	-171.2	-178.2	175.1	-171.9	0	112.4	I741	K621-I741 HydrophobicContact CD-CD1 4.35Å
622	E	87	Confident	95	Very high	175 Å²	175	45.2 Å²	45.2	82%	0.818	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.1	39.2	-172.3	-64.4	171.5	178.3	0	0	111.2	G620	G620-E622 VanDerWaalsContact C-N 3.32Å; G620-E622 PolarHBondContact O-N 3.4Å
623	K	91.7	Very high	94.8	Very high	111 Å²	111	46.6 Å²	46.6	48%	0.483	23%	0.228	S	C	.	.			trans	-118.7	31.5	-176.3	-65	-149.6	-172.7	-179.8	0	113.1	A619 D625 R626 R627	A619-K623 WeakPolarHBondContact O-CD 3.32Å; K623-D625 PolarHBondContact O-N 2.66Å; K623-R626 HydrophobicContact CB-CB 4.26Å; K623-R626 PolarHBondContact O-N 2.94Å; K623-R627 PolarHBondContact O-N 2.97Å
624	I	95.3	Very high	94.6	Very high	43 Å²	43	46.6 Å²	46.6	22%	0.221	23%	0.228	C	C	.	.	H	α-helix	trans	-59.6	-46.8	179.8	-166.5	174.7	0	0	0	111.4	R626 R627 N628 Y672 E699 E703	I624-R626 PolarHBondContact O-N 3.08Å; I624-R627 WeakPolarHBondContact O-CB 3.12Å; I624-R627 PolarHBondContact O-N 3.06Å; I624-R627 VanDerWaalsContact O-N 3.1Å; I624-N628 WeakPolarHBondContact O-CB 3.47Å; I624-N628 VanDerWaalsContact O-CG 3.26Å; I624-N628 PolarHBondContact O-N 3.33Å; I624-Y672 HydrophobicContact CG1-CD1 4.31Å; I624-Y672 HydrophobicContact CG1-CE1 4.01Å; I624-E699 HydrophobicContact CD1-CB 3.91Å; I624-E699 HydrophobicContact CD1-CG 3.98Å; I624-E703 HydrophobicContact CD1-CG 4.04Å; I624-E703 VanDerWaalsContact CD1-OE1 3.28Å; I624-E703 WeakPolarHBondContact CD1-OE1 3.47Å
625	D	95.4	Very high	94.2	Very high	126 Å²	126	49 Å²	49	67%	0.674	24%	0.243	S	C	*	.	H	α-helix	trans	-61.8	-35.5	178.5	-64.8	-42.5	0	0	0	112.2	K623 N628 Q629	K623-D625 PolarHBondContact O-N 2.66Å; D625-N628 WeakPolarHBondContact O-CB 3.27Å; D625-N628 PolarHBondContact O-N 2.85Å; D625-Q629 WeakPolarHBondContact O-CB 3.41Å; D625-Q629 PolarHBondContact O-N 3.49Å
626	R	96.2	Very high	93.7	Very high	69 Å²	69	55.4 Å²	55.4	26%	0.26	27%	0.267	S	S	.	.	H	α-helix	trans	-70.3	-40	175.9	-178.9	60.4	-167.7	-162.8	-6.5	112.1	T587 G588 N591 A618 K623 I624 N628 Q629 D630	T587-R626 PolarHBondContact O-NH2 2.93Å; G588-R626 PolarHBondContact O-NH2 3.1Å; N591-R626 PolarHBondContact OD1-NH1 2.87Å; N591-R626 PolarHBondContact OD1-NH2 2.82Å; A618-R626 HydrophobicContact CB-CB 4.15Å; A618-R626 HydrophobicContact CB-CG 3.42Å; A618-R626 VanDerWaalsContact CB-CG 3.42Å; K623-R626 HydrophobicContact CB-CB 4.26Å; K623-R626 PolarHBondContact O-N 2.94Å; I624-R626 PolarHBondContact O-N 3.08Å; R626-N628 VanDerWaalsContact C-N 3.31Å; R626-Q629 PolarHBondContact O-N 2.74Å; R626-D630 IonicContact CZ-OD1 3.54Å; R626-D630 VanDerWaalsContact CZ-OD1 3.31Å; R626-D630 IonicContact NE-OD1 3.4Å; R626-D630 PolarHBondContact NE-OD1 3.17Å; R626-D630 IonicContact NH2-OD1 3.81Å; R626-D630 PolarHBondContact NH2-OD1 2.79Å; R626-D630 PolarHBondContact O-N 2.62Å
627	R	97.1	Very high	93.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.4	-42.8	172.1	-74.1	-177.1	-81.5	-81.3	7.4	111.3	L617 A618 G620 K623 I624 Q629 D630 F631 L670 N671 Y672 E699	L617-R627 HydrophobicContact CB-CB 4.44Å; L617-R627 HydrophobicContact CB-CG 4.14Å; A618-R627 HydrophobicContact CB-CG 4.27Å; A618-R627 WeakPolarHBondContact O-CD 3.49Å; A618-R627 WeakPolarHBondContact O-CG 3.46Å; A618-R627 PolarHBondContact O-NH1 2.96Å; G620-R627 PolarHBondContact O-NH1 3.49Å; G620-R627 PolarHBondContact O-NH2 2.73Å; K623-R627 PolarHBondContact O-N 2.97Å; I624-R627 WeakPolarHBondContact O-CB 3.12Å; I624-R627 PolarHBondContact O-N 3.06Å; I624-R627 VanDerWaalsContact O-N 3.1Å; R627-Q629 VanDerWaalsContact C-N 3.31Å; R627-Q629 PolarHBondContact O-N 3.38Å; R627-D630 PolarHBondContact O-N 3.33Å; R627-F631 PolarHBondContact O-N 3.03Å; R627-L670 WeakPolarHBondContact CD-O 3.26Å; R627-N671 VanDerWaalsContact CD-C 3.45Å; R627-N671 WeakPolarHBondContact CD-O 3.45Å; R627-N671 PolarHBondContact NE-O 2.8Å; R627-N671 PolarHBondContact NH1-O 2.85Å; R627-Y672 HydrophobicContact CB-CE1 4.02Å; R627-Y672 HydrophobicContact CB-CE2 4.38Å; R627-E699 IonicContact CZ-OE2 3.86Å; R627-E699 IonicContact NE-OE2 3.47Å; R627-E699 IonicContact NH2-OE1 2.86Å; R627-E699 PolarHBondContact NH2-OE1 3.42Å; R627-E699 IonicContact NH2-OE2 3.93Å; R627-E699 PolarHBondContact NH2-OE2 3.38Å
628	N	96.5	Very high	92.9	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.08	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-41.6	175.3	-71.1	-8.8	0	0	0	111	I624 D625 R626 K632 Y672 E703 I709	I624-N628 WeakPolarHBondContact O-CB 3.47Å; I624-N628 VanDerWaalsContact O-CG 3.26Å; I624-N628 PolarHBondContact O-N 3.33Å; D625-N628 WeakPolarHBondContact O-CB 3.27Å; D625-N628 PolarHBondContact O-N 2.85Å; R626-N628 VanDerWaalsContact C-N 3.31Å; N628-K632 VanDerWaalsContact O-CG 3.31Å; N628-K632 WeakPolarHBondContact O-CG 3.24Å; N628-K632 PolarHBondContact O-N 2.9Å; N628-Y672 PolarHBondContact OD1-OH 3.03Å; N628-E703 PolarHBondContact ND2-OE1 3.04Å; N628-I709 VanDerWaalsContact CA-CD1 3.42Å; N628-I709 HydrophobicContact CB-CD1 3.46Å; N628-I709 VanDerWaalsContact CB-CD1 3.46Å; N628-I709 VanDerWaalsContact CG-CD1 3.49Å; N628-I709 WeakPolarHBondContact OD1-CD1 3.28Å
629	Q	95.3	Very high	92.3	Very high	86 Å²	86	59.2 Å²	59.2	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-66.6	-45.2	175.7	-171.9	-175.6	26	0	0	112.3	D625 R626 R627 F631 K632 E633	D625-Q629 WeakPolarHBondContact O-CB 3.41Å; D625-Q629 PolarHBondContact O-N 3.49Å; R626-Q629 PolarHBondContact O-N 2.74Å; R627-Q629 VanDerWaalsContact C-N 3.31Å; R627-Q629 PolarHBondContact O-N 3.38Å; Q629-F631 VanDerWaalsContact C-N 3.3Å; Q629-F631 PolarHBondContact O-N 2.97Å; Q629-K632 PolarHBondContact O-N 3.01Å; Q629-E633 PolarHBondContact O-N 3.33Å
630	D	96.5	Very high	91.7	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-45.9	176.2	-73.1	-7.5	0	0	0	110.3	T587 L617 A618 R626 R627 E633 I634	T587-D630 HydrophobicContact CG2-CB 4.48Å; L617-D630 HydrophobicContact CD2-CB 3.92Å; A618-D630 VanDerWaalsContact CB-OD2 3.25Å; A618-D630 WeakPolarHBondContact CB-OD2 3.43Å; A618-D630 PolarHBondContact N-OD2 2.55Å; R626-D630 IonicContact CZ-OD1 3.54Å; R626-D630 VanDerWaalsContact CZ-OD1 3.31Å; R626-D630 IonicContact NE-OD1 3.4Å; R626-D630 PolarHBondContact NE-OD1 3.17Å; R626-D630 IonicContact NH2-OD1 3.81Å; R626-D630 PolarHBondContact NH2-OD1 2.79Å; R626-D630 PolarHBondContact O-N 2.62Å; R627-D630 PolarHBondContact O-N 3.33Å; D630-E633 PolarHBondContact O-N 2.82Å; D630-I634 VanDerWaalsContact O-CG1 3.27Å; D630-I634 WeakPolarHBondContact O-CG1 3.32Å; D630-I634 PolarHBondContact O-N 3.43Å
631	F	96.1	Very high	90.8	Very high	18 Å²	18	59.2 Å²	59.2	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-60.3	-46.8	175.3	170.8	-106.5	0	0	0	112.4	R627 Q629 E633 I634 V635 L666 I709 F710	R627-F631 PolarHBondContact O-N 3.03Å; Q629-F631 VanDerWaalsContact C-N 3.3Å; Q629-F631 PolarHBondContact O-N 2.97Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.12Å; F631-I634 PolarHBondContact O-N 3.06Å; F631-V635 HydrophobicContact CD1-CG2 4.45Å; F631-V635 HydrophobicContact CD2-CG2 3.97Å; F631-V635 HydrophobicContact CE1-CG2 3.99Å; F631-V635 HydrophobicContact CE2-CG2 3.39Å; F631-V635 HydrophobicContact CG-CG2 4.49Å; F631-V635 HydrophobicContact CZ-CG2 3.45Å; F631-V635 VanDerWaalsContact CZ-CG2 3.45Å; F631-V635 WeakPolarHBondContact O-CG2 3.28Å; F631-V635 PolarHBondContact O-N 2.91Å; F631-L666 HydrophobicContact CD2-CD1 3.71Å; F631-L666 HydrophobicContact CE2-CD1 3.42Å; F631-L666 VanDerWaalsContact CE2-CD1 3.42Å; F631-I709 HydrophobicContact CB-CD1 4.46Å; F631-I709 HydrophobicContact CD1-CD1 3.68Å; F631-I709 HydrophobicContact CD1-CG1 3.51Å; F631-I709 HydrophobicContact CE1-CD1 4.43Å; F631-I709 HydrophobicContact CE1-CG1 3.76Å; F631-I709 HydrophobicContact CG-CD1 4.46Å; F631-F710 HydrophobicContact CB-CE1 4.24Å; F631-F710 HydrophobicContact CB-CZ 4.13Å; F631-F710 HydrophobicContact CD1-CD1 4.14Å; F631-F710 AromaticContact CD1-CE1 3.82Å; F631-F710 HydrophobicContact CD1-CE1 3.82Å; F631-F710 HydrophobicContact CD1-CZ 4.14Å; F631-F710 AromaticContact CD2-CD1 4Å; F631-F710 HydrophobicContact CD2-CD1 4Å; F631-F710 AromaticContact CD2-CE1 3.33Å; F631-F710 HydrophobicContact CD2-CE1 3.33Å; F631-F710 HydrophobicContact CD2-CZ 4.08Å; F631-F710 AromaticContact CE1-CD1 3.78Å; F631-F710 HydrophobicContact CE1-CD1 3.78Å; F631-F710 AromaticContact CE1-CE1 3.93Å; F631-F710 HydrophobicContact CE1-CE1 3.93Å; F631-F710 HydrophobicContact CE1-CG 4.36Å; F631-F710 AromaticContact CE2-CD1 3.65Å; F631-F710 HydrophobicContact CE2-CD1 3.65Å; F631-F710 AromaticContact CE2-CE1 3.48Å; F631-F710 HydrophobicContact CE2-CE1 3.48Å; F631-F710 VanDerWaalsContact CE2-CE1 3.48Å; F631-F710 HydrophobicContact CG-CD1 4.21Å; F631-F710 AromaticContact CG-CE1 3.49Å; F631-F710 HydrophobicContact CG-CE1 3.49Å; F631-F710 VanDerWaalsContact CG-CE1 3.49Å; F631-F710 AromaticContact CG-CZ 3.82Å; F631-F710 HydrophobicContact CG-CZ 3.82Å; F631-F710 AromaticContact CZ-CD1 3.5Å; F631-F710 HydrophobicContact CZ-CD1 3.5Å; F631-F710 AromaticContact CZ-CE1 3.75Å; F631-F710 HydrophobicContact CZ-CE1 3.75Å; F631-F710 HydrophobicContact CZ-CG 4.41Å
632	K	94.2	Very high	90	Very high	120 Å²	120	56.3 Å²	56.3	52%	0.522	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-42.9	177.3	-74	172.9	-178	-178.2	0	111.6	N628 Q629 V635 R636	N628-K632 VanDerWaalsContact O-CG 3.31Å; N628-K632 WeakPolarHBondContact O-CG 3.24Å; N628-K632 PolarHBondContact O-N 2.9Å; Q629-K632 PolarHBondContact O-N 3.01Å; K632-V635 PolarHBondContact O-N 3.01Å; K632-R636 WeakPolarHBondContact O-CB 3.19Å; K632-R636 PolarHBondContact O-N 3.43Å
633	E	94.1	Very high	88.5	Confident	30 Å²	30	49 Å²	49	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-40.6	176.6	-79	-64.9	109.3	0	0	112.1	T587 Q629 D630 F631 R636 K637	T587-E633 HydrophobicContact CG2-CB 3.98Å; Q629-E633 PolarHBondContact O-N 3.33Å; D630-E633 PolarHBondContact O-N 2.82Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.12Å; E633-R636 PolarHBondContact O-N 3.36Å; E633-R636 IonicContact OE1-CZ 3.28Å; E633-R636 IonicContact OE1-NE 3.72Å; E633-R636 PolarHBondContact OE1-NE 3.17Å; E633-R636 IonicContact OE1-NH2 3.26Å; E633-R636 PolarHBondContact OE1-NH2 3.47Å; E633-R636 VanDerWaalsContact OE1-NH2 3.13Å; E633-R636 IonicContact OE2-CZ 3.23Å; E633-R636 IonicContact OE2-NE 2.78Å; E633-R636 IonicContact OE2-NH2 2.95Å; E633-R636 PolarHBondContact OE2-NH2 3.14Å; E633-K637 VanDerWaalsContact O-CB 3.29Å; E633-K637 WeakPolarHBondContact O-CB 3.17Å; E633-K637 PolarHBondContact O-N 3.15Å; E633-K637 WeakPolarHBondContact OE2-CD 3.34Å; E633-K637 VanDerWaalsContact OE2-CE 3.23Å; E633-K637 WeakPolarHBondContact OE2-CE 3.23Å; E633-K637 IonicContact OE2-NZ 3.76Å; E633-K637 PolarHBondContact OE2-NZ 3.4Å
634	I	94.3	Very high	86.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-53.6	173.7	-69.8	162.9	0	0	0	110	V585 T587 V613 L617 D630 F631 R636 K637 M638 I658	V585-I634 HydrophobicContact CB-CG1 4.4Å; V585-I634 HydrophobicContact CG1-CG1 4.31Å; T587-I634 HydrophobicContact CG2-CD1 4.4Å; T587-I634 HydrophobicContact CG2-CG1 3.84Å; V613-I634 HydrophobicContact CG1-CG2 4.17Å; L617-I634 HydrophobicContact CD2-CD1 3.69Å; D630-I634 VanDerWaalsContact O-CG1 3.27Å; D630-I634 WeakPolarHBondContact O-CG1 3.32Å; D630-I634 PolarHBondContact O-N 3.43Å; F631-I634 PolarHBondContact O-N 3.06Å; I634-R636 VanDerWaalsContact C-N 3.3Å; I634-R636 PolarHBondContact O-N 3.46Å; I634-K637 PolarHBondContact O-N 3.29Å; I634-M638 HydrophobicContact CG2-CE 3.95Å; I634-M638 HydrophobicContact CG2-SD 4.17Å; I634-M638 WeakPolarHBondContact O-CB 3.05Å; I634-M638 PolarHBondContact O-N 3.02Å; I634-I658 HydrophobicContact CG2-CD1 4.47Å
635	V	91.4	Very high	84.1	Confident	51 Å²	51	47.7 Å²	47.7	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-59.7	-42	-179.6	173.5	0	0	0	0	111.7	F631 K632 I658	F631-V635 HydrophobicContact CD1-CG2 4.45Å; F631-V635 HydrophobicContact CD2-CG2 3.97Å; F631-V635 HydrophobicContact CE1-CG2 3.99Å; F631-V635 HydrophobicContact CE2-CG2 3.39Å; F631-V635 HydrophobicContact CG-CG2 4.49Å; F631-V635 HydrophobicContact CZ-CG2 3.45Å; F631-V635 VanDerWaalsContact CZ-CG2 3.45Å; F631-V635 WeakPolarHBondContact O-CG2 3.28Å; F631-V635 PolarHBondContact O-N 2.91Å; K632-V635 PolarHBondContact O-N 3.01Å; V635-I658 HydrophobicContact CG2-CD1 4.35Å
636	R	87.7	Confident	81.7	Confident	133 Å²	133	47 Å²	47	50%	0.502	23%	0.229	S	C	.	.	H	α-helix	trans	-69.7	-43.6	-177.4	-172.8	-171.7	67.6	78.8	-8.9	113.1	K632 E633 I634	K632-R636 WeakPolarHBondContact O-CB 3.19Å; K632-R636 PolarHBondContact O-N 3.43Å; E633-R636 PolarHBondContact O-N 3.36Å; E633-R636 IonicContact OE1-CZ 3.28Å; E633-R636 IonicContact OE1-NE 3.72Å; E633-R636 PolarHBondContact OE1-NE 3.17Å; E633-R636 IonicContact OE1-NH2 3.26Å; E633-R636 PolarHBondContact OE1-NH2 3.47Å; E633-R636 VanDerWaalsContact OE1-NH2 3.13Å; E633-R636 IonicContact OE2-CZ 3.23Å; E633-R636 IonicContact OE2-NE 2.78Å; E633-R636 IonicContact OE2-NH2 2.95Å; E633-R636 PolarHBondContact OE2-NH2 3.14Å; I634-R636 VanDerWaalsContact C-N 3.3Å; I634-R636 PolarHBondContact O-N 3.46Å
637	K	89.1	Confident	79.2	Confident	74 Å²	74	52.8 Å²	52.8	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-89.2	-19	-175	-73.4	171.2	155.6	152.5	0	113.4	H583 V585 E633 I634 S639	H583-K637 PolarHBondContact CE1-O 2.85Å; V585-K637 HydrophobicContact CG1-CB 3.78Å; V585-K637 HydrophobicContact CG1-CD 3.88Å; V585-K637 HydrophobicContact CG1-CG 4.48Å; V585-K637 HydrophobicContact CG2-CB 3.93Å; E633-K637 VanDerWaalsContact O-CB 3.29Å; E633-K637 WeakPolarHBondContact O-CB 3.17Å; E633-K637 PolarHBondContact O-N 3.15Å; E633-K637 WeakPolarHBondContact OE2-CD 3.34Å; E633-K637 VanDerWaalsContact OE2-CE 3.23Å; E633-K637 WeakPolarHBondContact OE2-CE 3.23Å; E633-K637 IonicContact OE2-NZ 3.76Å; E633-K637 PolarHBondContact OE2-NZ 3.4Å; I634-K637 PolarHBondContact O-N 3.29Å; K637-S639 PolarHBondContact O-N 3.15Å
638	M	90	Very high	76.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.29	C	S	.	.			trans	-75.8	101.3	-175	-172.7	163.5	-85.2	0	0	110.9	H583 V585 S600 V613 I634 I658	H583-M638 HydrophobicContact CB-CG 4.34Å; V585-M638 HydrophobicContact CG2-CB 3.89Å; V585-M638 HydrophobicContact CG2-CE 4.05Å; S600-M638 WeakPolarHBondContact CB-SD 3.47Å; S600-M638 WeakPolarHBondContact OG-CE 3.37Å; S600-M638 WeakPolarHBondContact OG-CG 3.07Å; S600-M638 PolarHBondContact OG-SD 3.24Å; V613-M638 HydrophobicContact CG1-CE 4.05Å; V613-M638 HydrophobicContact CG1-SD 3.87Å; V613-M638 HydrophobicContact CG2-SD 4.12Å; I634-M638 HydrophobicContact CG2-CE 3.95Å; I634-M638 HydrophobicContact CG2-SD 4.17Å; I634-M638 WeakPolarHBondContact O-CB 3.05Å; I634-M638 PolarHBondContact O-N 3.02Å; M638-I658 HydrophobicContact CB-CD1 3.83Å; M638-I658 HydrophobicContact CB-CG1 3.94Å; M638-I658 HydrophobicContact CG-CD1 3.92Å; M638-I658 HydrophobicContact CG-CG1 3.82Å; M638-I658 HydrophobicContact SD-CD1 3.4Å; M638-I658 WeakPolarHBondContact SD-CD1 3.33Å; M638-I658 HydrophobicContact SD-CG1 3.79Å
639	S	85.7	Confident	73.9	Confident	20 Å²	20	65 Å²	65	14%	0.14	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.8	-179.9	169.3	0	0	0	0	109.7	H583 K637 K655	H583-S639 WeakPolarHBondContact CB-O 3.47Å; H583-S639 VanDerWaalsContact CG-O 3.32Å; H583-S639 PolarHBondContact ND1-N 2.87Å; K637-S639 PolarHBondContact O-N 3.15Å; S639-K655 WeakPolarHBondContact OG-CB 3.17Å; S639-K655 WeakPolarHBondContact OG-CD 3.42Å; S639-K655 VanDerWaalsContact OG-CG 3.23Å; S639-K655 WeakPolarHBondContact OG-CG 3.37Å
640	L	80.5	Confident	71.3	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.2	179.9	-67.3	156.7	0	0	0	109.4	H583 R602 S656	H583-L640 HydrophobicContact CB-CD2 4.08Å; R602-L640 HydrophobicContact CB-CD1 3.95Å; R602-L640 HydrophobicContact CB-CD2 4.37Å; R602-L640 HydrophobicContact CG-CB 3.82Å; R602-L640 HydrophobicContact CG-CD1 3.92Å; R602-L640 HydrophobicContact CG-CD2 3.83Å; R602-L640 HydrophobicContact CG-CG 4.06Å; L640-S656 PolarHBondContact N-O 3.22Å; L640-S656 WeakPolarHBondContact O-CA 3.49Å; L640-S656 WeakPolarHBondContact O-CB 3.41Å; L640-S656 PolarHBondContact O-N 2.94Å; L640-S656 PolarHBondContact O-OG 3.14Å
641	L	71.3	Confident	68.6	Low	60 Å²	60	72.3 Å²	72.3	31%	0.314	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.3	-177.4	-59.3	170	0	0	0	110.3	S581 P643 M653 K655	S581-L641 WeakPolarHBondContact CB-O 3.23Å; S581-L641 PolarHBondContact OG-N 2.94Å; L641-P643 WeakPolarHBondContact O-CD 3.4Å; L641-M653 HydrophobicContact CB-CB 4.36Å; L641-M653 HydrophobicContact CB-CE 3.52Å; L641-M653 HydrophobicContact CB-SD 4.45Å; L641-M653 HydrophobicContact CD1-CE 3.79Å; L641-M653 HydrophobicContact CD1-SD 3.97Å; L641-M653 HydrophobicContact CD2-CB 4.08Å; L641-M653 HydrophobicContact CG-CE 4.21Å; L641-K655 HydrophobicContact CD2-CG 4.08Å
642	F	65.6	Low	66.2	Low	51 Å²	51	74.3 Å²	74.3	22%	0.224	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	108.1	161.3	-86	-104.5	0	0	0	108.1	R602 I644 K654 S656 V660	R602-F642 VanDerWaalsContact CZ-CZ 3.5Å; F642-I644 PolarHBondContact O-N 2.6Å; F642-K654 PolarHBondContact N-O 3.47Å; F642-K654 PolarHBondContact O-N 2.72Å; F642-S656 WeakPolarHBondContact CD2-OG 3.49Å; F642-S656 WeakPolarHBondContact CE2-OG 3.26Å; F642-V660 HydrophobicContact CE2-CG2 3.81Å; F642-V660 HydrophobicContact CZ-CG2 4.07Å
643	P	54	Low	64	Low	22 Å²	22	73 Å²	73	14%	0.143	36%	0.363	C	S	.	.			trans	-68.7	107.6	167.5	17.5	-12.8	0	0	0	108.2	D578 L641 N645 M653	D578-P643 VanDerWaalsContact C-CG 3.42Å; D578-P643 HydrophobicContact CB-CG 4.43Å; D578-P643 WeakPolarHBondContact O-CG 3.43Å; L641-P643 WeakPolarHBondContact O-CD 3.4Å; P643-N645 PolarHBondContact O-N 3.29Å; P643-M653 HydrophobicContact CB-CE 3.94Å; P643-M653 HydrophobicContact CG-CE 4.23Å
644	I	51	Low	62.2	Low	64 Å²	64	75.2 Å²	75.2	33%	0.328	37%	0.372	S	S	.	.			trans	-70.2	125.5	159.9	-59.5	170.4	0	0	0	104.8	F642 P646 L649 F651 K654	F642-I644 PolarHBondContact O-N 2.6Å; I644-P646 WeakPolarHBondContact O-CD 3.49Å; I644-L649 HydrophobicContact CG2-CB 4.41Å; I644-L649 HydrophobicContact CG2-CD1 4.37Å; I644-F651 HydrophobicContact CD1-CB 4.32Å; I644-K654 HydrophobicContact CD1-CB 4.24Å
645	N	44.3	Very low	60.4	Low	61 Å²	61	77.8 Å²	77.8	33%	0.326	38%	0.383	S	S	.	.			trans	-44.2	111.6	-175.6	-170.2	-20.6	0	0	0	110.4	P643 K647 R648	P643-N645 PolarHBondContact O-N 3.29Å; N645-K647 PolarHBondContact O-N 3.37Å; N645-K647 WeakPolarHBondContact OD1-CB 3.17Å; N645-K647 PolarHBondContact OD1-N 2.77Å; N645-R648 PolarHBondContact O-N 3.44Å
646	P	44	Very low	59	Low	111 Å²	111	75.7 Å²	75.7	72%	0.721	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.1	-172.2	23.1	-32.6	0	0	0	111.9	I644	I644-P646 WeakPolarHBondContact O-CD 3.49Å
647	K	44.2	Very low	58.5	Low	192 Å²	192	72.1 Å²	72.1	84%	0.835	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.2	175.5	-59.6	-173	177.4	-176	0	114.4	N645	N645-K647 PolarHBondContact O-N 3.37Å; N645-K647 WeakPolarHBondContact OD1-CB 3.17Å; N645-K647 PolarHBondContact OD1-N 2.77Å
648	R	43.3	Very low	58	Low	184 Å²	184	69 Å²	69	69%	0.694	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-24.7	-173.9	-74.5	-168.3	175.3	151.8	6.6	115.1	N645	N645-R648 PolarHBondContact O-N 3.44Å
649	L	38.6	Very low	57.6	Low	86 Å²	86	71.4 Å²	71.4	45%	0.45	36%	0.361	S	S	.	.			trans	-154	140.7	178.2	-70.2	165.8	0	0	0	109.9	I644 F651	I644-L649 HydrophobicContact CG2-CB 4.41Å; I644-L649 HydrophobicContact CG2-CD1 4.37Å; L649-F651 HydrophobicContact CB-CD2 3.52Å; L649-F651 HydrophobicContact CB-CE2 3.94Å; L649-F651 HydrophobicContact CB-CG 4.46Å; L649-F651 HydrophobicContact CD1-CD2 3.82Å; L649-F651 HydrophobicContact CD1-CE2 3.84Å; L649-F651 HydrophobicContact CD2-CD2 4.27Å; L649-F651 HydrophobicContact CD2-CE2 3.77Å; L649-F651 HydrophobicContact CG-CD2 4.04Å; L649-F651 HydrophobicContact CG-CE2 4.03Å; L649-F651 PolarHBondContact O-N 3.22Å; L649-F651 VanDerWaalsContact O-N 3.1Å
650	P	40.6	Very low	57.5	Low	126 Å²	126	74.3 Å²	74.3	82%	0.818	38%	0.378	S	S	*	.			trans	-87	47.6	177.2	38.6	-34	0	0	0	110.6
651	F	40.9	Very low	57.9	Low	116 Å²	116	74.5 Å²	74.5	51%	0.509	38%	0.379	S	S	.	.			trans	-95.3	140.8	175.5	-66.6	-60.3	0	0	0	110.1	I644 L649	I644-F651 HydrophobicContact CD1-CB 4.32Å; L649-F651 HydrophobicContact CB-CD2 3.52Å; L649-F651 HydrophobicContact CB-CE2 3.94Å; L649-F651 HydrophobicContact CB-CG 4.46Å; L649-F651 HydrophobicContact CD1-CD2 3.82Å; L649-F651 HydrophobicContact CD1-CE2 3.84Å; L649-F651 HydrophobicContact CD2-CD2 4.27Å; L649-F651 HydrophobicContact CD2-CE2 3.77Å; L649-F651 HydrophobicContact CG-CD2 4.04Å; L649-F651 HydrophobicContact CG-CE2 4.03Å; L649-F651 PolarHBondContact O-N 3.22Å; L649-F651 VanDerWaalsContact O-N 3.1Å
652	P	44.7	Very low	58.9	Low	59 Å²	59	74.1 Å²	74.1	38%	0.383	38%	0.377	S	S	.	.			trans	-55.7	156.9	172	16.1	-22	0	0	0	111.3	E120 K654	E120-P652 HydrophobicContact CG-CG 4.08Å; E120-P652 WeakPolarHBondContact OE1-CG 3.31Å; P652-K654 PolarHBondContact O-N 3.12Å
653	M	49.8	Very low	60.4	Low	94 Å²	94	71.8 Å²	71.8	46%	0.463	37%	0.367	S	S	.	.			trans	-61.5	110.5	178.9	-66.6	178.2	80.2	0	0	109.6	L641 P643 K655	L641-M653 HydrophobicContact CB-CB 4.36Å; L641-M653 HydrophobicContact CB-CE 3.52Å; L641-M653 HydrophobicContact CB-SD 4.45Å; L641-M653 HydrophobicContact CD1-CE 3.79Å; L641-M653 HydrophobicContact CD1-SD 3.97Å; L641-M653 HydrophobicContact CD2-CB 4.08Å; L641-M653 HydrophobicContact CG-CE 4.21Å; P643-M653 HydrophobicContact CB-CE 3.94Å; P643-M653 HydrophobicContact CG-CE 4.23Å; M653-K655 PolarHBondContact O-N 3.47Å; M653-K655 VanDerWaalsContact O-N 3.17Å
654	K	54.8	Low	62.4	Low	75 Å²	75	70.8 Å²	70.8	33%	0.326	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	120.5	-179.7	-177.8	162.6	-178.5	160.9	0	110.1	D122 F642 I644 P652	D122-K654 VanDerWaalsContact OD1-CE 3.31Å; D122-K654 WeakPolarHBondContact OD1-CE 3.48Å; D122-K654 IonicContact OD1-NZ 2.73Å; D122-K654 PolarHBondContact OD1-NZ 2.68Å; F642-K654 PolarHBondContact N-O 3.47Å; F642-K654 PolarHBondContact O-N 2.72Å; I644-K654 HydrophobicContact CD1-CB 4.24Å; P652-K654 PolarHBondContact O-N 3.12Å
655	K	57.2	Low	64.7	Low	55 Å²	55	67.8 Å²	67.8	24%	0.239	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.4	170.4	-74.4	177.6	177.5	166.8	0	108.5	Y128 T130 S213 S639 L641 M653	Y128-K655 HydrophobicContact CD1-CD 4.39Å; Y128-K655 HydrophobicContact CE1-CD 3.54Å; T130-K655 PolarHBondContact OG1-NZ 2.81Å; T130-K655 VanDerWaalsContact OG1-NZ 3.1Å; S213-K655 PolarHBondContact OG-NZ 3.16Å; S639-K655 WeakPolarHBondContact OG-CB 3.17Å; S639-K655 WeakPolarHBondContact OG-CD 3.42Å; S639-K655 VanDerWaalsContact OG-CG 3.23Å; S639-K655 WeakPolarHBondContact OG-CG 3.37Å; L641-K655 HydrophobicContact CD2-CG 4.08Å; M653-K655 PolarHBondContact O-N 3.47Å; M653-K655 VanDerWaalsContact O-N 3.17Å
656	S	62.1	Low	67.3	Low	6 Å²	6	65 Å²	65	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.1	178	65	0	0	0	0	111.6	L640 F642	L640-S656 PolarHBondContact N-O 3.22Å; L640-S656 WeakPolarHBondContact O-CA 3.49Å; L640-S656 WeakPolarHBondContact O-CB 3.41Å; L640-S656 PolarHBondContact O-N 2.94Å; L640-S656 PolarHBondContact O-OG 3.14Å; F642-S656 WeakPolarHBondContact CD2-OG 3.49Å; F642-S656 WeakPolarHBondContact CE2-OG 3.26Å
657	Y	77.6	Confident	69.9	Low	59 Å²	59	59.7 Å²	59.7	23%	0.231	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	159.3	173.1	-57.8	-77	0	0	0	110.3	Y128 S659 V660 H661	Y128-Y657 WeakPolarHBondContact CE2-OH 3.31Å; Y657-S659 PolarHBondContact O-N 3.05Å; Y657-S659 VanDerWaalsContact O-N 3.09Å; Y657-V660 WeakPolarHBondContact O-CG2 3.48Å; Y657-V660 PolarHBondContact O-N 2.99Å; Y657-H661 PolarHBondContact O-ND1 2.74Å
658	I	78.6	Confident	72.5	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.041	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-52.5	-37.5	177.8	-48.6	174.5	0	0	0	110.6	C611 V613 I634 V635 M638 V660 H661 I664	C611-I658 HydrophobicContact CB-CG2 4.49Å; V613-I658 HydrophobicContact CG2-CD1 4.17Å; V613-I658 HydrophobicContact CG2-CG2 4.04Å; I634-I658 HydrophobicContact CG2-CD1 4.47Å; V635-I658 HydrophobicContact CG2-CD1 4.35Å; M638-I658 HydrophobicContact CB-CD1 3.83Å; M638-I658 HydrophobicContact CB-CG1 3.94Å; M638-I658 HydrophobicContact CG-CD1 3.92Å; M638-I658 HydrophobicContact CG-CG1 3.82Å; M638-I658 HydrophobicContact SD-CD1 3.4Å; M638-I658 WeakPolarHBondContact SD-CD1 3.33Å; M638-I658 HydrophobicContact SD-CG1 3.79Å; I658-V660 VanDerWaalsContact C-N 3.25Å; I658-V660 PolarHBondContact O-N 2.88Å; I658-V660 VanDerWaalsContact O-N 3.16Å; I658-H661 PolarHBondContact O-N 3.2Å; I658-H661 PolarHBondContact O-ND1 2.8Å; I658-I664 HydrophobicContact CG2-CB 4.48Å; I658-I664 HydrophobicContact CG2-CD1 4.02Å; I658-I664 HydrophobicContact CG2-CG1 4.16Å; I658-I664 HydrophobicContact CG2-CG2 3.5Å; I658-I664 VanDerWaalsContact CG2-CG2 3.5Å; I658-I664 WeakPolarHBondContact O-CD1 3.28Å; I658-I664 WeakPolarHBondContact O-CG1 3.41Å
659	S	80.5	Confident	75.1	Confident	51 Å²	51	41.9 Å²	41.9	36%	0.357	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.5	-175.3	51.8	0	0	0	0	115.8	Y657 H661	Y657-S659 PolarHBondContact O-N 3.05Å; Y657-S659 VanDerWaalsContact O-N 3.09Å; S659-H661 VanDerWaalsContact C-N 3.28Å; S659-H661 PolarHBondContact O-N 3.18Å
660	V	84	Confident	78	Confident	80 Å²	80	37.8 Å²	37.8	49%	0.485	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-82	-7	-176.3	-46.3	0	0	0	0	113.6	F642 Y657 I658	F642-V660 HydrophobicContact CE2-CG2 3.81Å; F642-V660 HydrophobicContact CZ-CG2 4.07Å; Y657-V660 WeakPolarHBondContact O-CG2 3.48Å; Y657-V660 PolarHBondContact O-N 2.99Å; I658-V660 VanDerWaalsContact C-N 3.25Å; I658-V660 PolarHBondContact O-N 2.88Å; I658-V660 VanDerWaalsContact O-N 3.16Å
661	H	89.9	Confident	80.8	Confident	5 Å²	5	32 Å²	32	2%	0.023	16%	0.164	C	C	.	.	S	Bend	trans	-79.9	145.6	-177	-61.6	77.7	0	0	0	111.4	R602 S609 C611 Y657 I658 S659 V663 I664	R602-H661 VanDerWaalsContact CB-NE2 3.28Å; R602-H661 WeakPolarHBondContact CB-NE2 3.26Å; R602-H661 PolarHBondContact NE-NE2 3.2Å; R602-H661 PolarHBondContact NH2-CD2 3.36Å; R602-H661 PolarHBondContact NH2-NE2 2.55Å; S609-H661 WeakPolarHBondContact OG-CA 3.28Å; C611-H661 HydrophobicContact CB-CB 3.93Å; Y657-H661 PolarHBondContact O-ND1 2.74Å; I658-H661 PolarHBondContact O-N 3.2Å; I658-H661 PolarHBondContact O-ND1 2.8Å; S659-H661 VanDerWaalsContact C-N 3.28Å; S659-H661 PolarHBondContact O-N 3.18Å; H661-V663 VanDerWaalsContact C-N 3.3Å; H661-V663 PolarHBondContact O-N 3.21Å; H661-I664 HydrophobicContact CB-CG1 3.97Å
662	D	92.2	Very high	83.5	Confident	51 Å²	51	26.4 Å²	26.4	27%	0.273	14%	0.139	S	C	.	.	S	Bend	trans	-62.2	-40.7	179.7	-61	-68.3	0	0	0	111.2	T608 S609 G752	T608-D662 HydrophobicContact CG2-CB 3.92Å; S609-D662 PolarHBondContact N-OD2 2.95Å; S609-D662 WeakPolarHBondContact O-CB 3.43Å; S609-D662 PolarHBondContact O-N 2.81Å; S609-D662 PolarHBondContact OG-N 3.41Å; S609-D662 PolarHBondContact OG-OD2 3.34Å; D662-G752 WeakPolarHBondContact O-CA 3.14Å
663	V	96.1	Very high	86	Confident	2 Å²	2	24.5 Å²	24.5	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.3	176.3	-172.2	0	0	0	0	110	S609 L610 C611 H661 F665 F751 C755 V780	S609-V663 PolarHBondContact O-N 3.35Å; S609-V663 VanDerWaalsContact O-N 3.17Å; L610-V663 WeakPolarHBondContact CA-O 3.35Å; L610-V663 HydrophobicContact CD2-CB 3.67Å; L610-V663 HydrophobicContact CD2-CG1 4.42Å; L610-V663 HydrophobicContact CD2-CG2 4.01Å; C611-V663 PolarHBondContact N-O 3.37Å; H661-V663 VanDerWaalsContact C-N 3.3Å; H661-V663 PolarHBondContact O-N 3.21Å; V663-F665 HydrophobicContact CG1-CD2 4.08Å; V663-F665 HydrophobicContact CG1-CE2 3.57Å; V663-F665 HydrophobicContact CG1-CZ 4.09Å; V663-F751 WeakPolarHBondContact CA-O 3.43Å; V663-C755 HydrophobicContact CG1-CB 4.41Å; V663-V780 HydrophobicContact CG2-CG1 3.97Å
664	I	97	Very high	88.3	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130.4	178.2	-52.8	159.8	0	0	0	108	C611 I658 H661 F713 W750 F751	C611-I664 HydrophobicContact CB-CG1 4.39Å; C611-I664 HydrophobicContact CB-CG2 4.47Å; C611-I664 CarbonylContact O-C 3.59Å; C611-I664 WeakPolarHBondContact O-CA 3.44Å; I658-I664 HydrophobicContact CG2-CB 4.48Å; I658-I664 HydrophobicContact CG2-CD1 4.02Å; I658-I664 HydrophobicContact CG2-CG1 4.16Å; I658-I664 HydrophobicContact CG2-CG2 3.5Å; I658-I664 VanDerWaalsContact CG2-CG2 3.5Å; I658-I664 WeakPolarHBondContact O-CD1 3.28Å; I658-I664 WeakPolarHBondContact O-CG1 3.41Å; H661-I664 HydrophobicContact CB-CG1 3.97Å; I664-F713 HydrophobicContact CB-CZ 4.47Å; I664-F713 HydrophobicContact CG2-CE1 4.18Å; I664-F713 HydrophobicContact CG2-CZ 4.06Å; I664-W750 CarbonylContact O-C 3.56Å; I664-W750 WeakPolarHBondContact O-CA 3.3Å; I664-W750 WeakPolarHBondContact O-CB 3.43Å; I664-F751 HydrophobicContact CB-CB 4.21Å; I664-F751 HydrophobicContact CD1-CB 4.43Å; I664-F751 HydrophobicContact CD1-CD1 3.63Å; I664-F751 HydrophobicContact CD1-CE1 4.29Å; I664-F751 HydrophobicContact CD1-CG 4.3Å; I664-F751 HydrophobicContact CG1-CD1 4.18Å; I664-F751 PolarHBondContact N-O 2.74Å; I664-F751 PolarHBondContact O-N 3.04Å
665	F	98.4	Very high	90.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	167.1	-68.2	-86.4	0	0	0	109.2	I446 C611 F612 V613 V663 W750 C755 F778 V780	I446-F665 HydrophobicContact CD1-CB 3.5Å; I446-F665 HydrophobicContact CD1-CD1 3.14Å; I446-F665 HydrophobicContact CD1-CD2 3.85Å; I446-F665 HydrophobicContact CD1-CE1 3.68Å; I446-F665 HydrophobicContact CD1-CE2 4.3Å; I446-F665 HydrophobicContact CD1-CG 3.22Å; I446-F665 HydrophobicContact CD1-CZ 4.22Å; C611-F665 PolarHBondContact O-N 2.84Å; F612-F665 CarbonylContact C-O 3.59Å; F612-F665 HydrophobicContact CD1-CB 3.91Å; F612-F665 AromaticContact CD1-CD2 3.9Å; F612-F665 HydrophobicContact CD1-CD2 3.9Å; F612-F665 HydrophobicContact CD1-CG 4.27Å; F612-F665 HydrophobicContact CE1-CB 4.34Å; F612-F665 AromaticContact CE1-CD2 3.47Å; F612-F665 HydrophobicContact CE1-CD2 3.47Å; F612-F665 VanDerWaalsContact CE1-CD2 3.47Å; F612-F665 HydrophobicContact CE1-CE2 4.06Å; F612-F665 HydrophobicContact CE1-CG 4.2Å; F612-F665 HydrophobicContact CZ-CD2 4.41Å; V613-F665 PolarHBondContact N-O 2.91Å; V663-F665 HydrophobicContact CG1-CD2 4.08Å; V663-F665 HydrophobicContact CG1-CE2 3.57Å; V663-F665 HydrophobicContact CG1-CZ 4.09Å; F665-W750 HydrophobicContact CD1-CB 3.46Å; F665-W750 VanDerWaalsContact CD1-CB 3.46Å; F665-W750 HydrophobicContact CD1-CG 4.48Å; F665-W750 HydrophobicContact CE1-CB 3.64Å; F665-W750 HydrophobicContact CE1-CG 4.22Å; F665-W750 HydrophobicContact CG-CB 4.23Å; F665-C755 VanDerWaalsContact CZ-SG 3.56Å; F665-F778 HydrophobicContact CD1-CE2 4.42Å; F665-F778 HydrophobicContact CD1-CZ 4.45Å; F665-F778 HydrophobicContact CE1-CB 4.42Å; F665-F778 AromaticContact CE1-CD1 3.79Å; F665-F778 HydrophobicContact CE1-CD1 3.79Å; F665-F778 AromaticContact CE1-CD2 3.79Å; F665-F778 HydrophobicContact CE1-CD2 3.79Å; F665-F778 AromaticContact CE1-CE1 3.89Å; F665-F778 HydrophobicContact CE1-CE1 3.89Å; F665-F778 AromaticContact CE1-CE2 3.91Å; F665-F778 HydrophobicContact CE1-CE2 3.91Å; F665-F778 AromaticContact CE1-CG 3.74Å; F665-F778 HydrophobicContact CE1-CG 3.74Å; F665-F778 AromaticContact CE1-CZ 3.96Å; F665-F778 HydrophobicContact CE1-CZ 3.96Å; F665-F778 HydrophobicContact CZ-CB 4.21Å; F665-F778 HydrophobicContact CZ-CD1 4.31Å; F665-F778 HydrophobicContact CZ-CD2 4.28Å; F665-F778 HydrophobicContact CZ-CG 4.02Å; F665-V780 HydrophobicContact CE2-CG2 4.25Å; F665-V780 HydrophobicContact CZ-CG2 4Å
666	L	98.4	Very high	92	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	170.6	-175.4	151.2	0	0	0	108.4	V613 F631 L670 F710 F713 I749	V613-L666 HydrophobicContact CB-CG 4.46Å; V613-L666 WeakPolarHBondContact O-CA 3.43Å; F631-L666 HydrophobicContact CD2-CD1 3.71Å; F631-L666 HydrophobicContact CE2-CD1 3.42Å; F631-L666 VanDerWaalsContact CE2-CD1 3.42Å; L666-L670 HydrophobicContact CD2-CD1 3.76Å; L666-L670 HydrophobicContact CD2-CD2 3.67Å; L666-L670 HydrophobicContact CD2-CG 4.39Å; L666-F710 HydrophobicContact CD2-CE1 4.43Å; L666-F713 HydrophobicContact CB-CE1 3.9Å; L666-I749 HydrophobicContact CB-CD1 4.4Å; L666-I749 HydrophobicContact CB-CG1 3.91Å; L666-I749 HydrophobicContact CD2-CD1 3.95Å; L666-I749 HydrophobicContact CD2-CG1 3.94Å; L666-I749 PolarHBondContact N-O 3.19Å; L666-I749 WeakPolarHBondContact O-CG1 3.36Å; L666-I749 PolarHBondContact O-N 3.23Å
667	F	98.9	Very high	93.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	169.7	-173.7	63.7	-79.6	0	0	0	111	I446 V478 M563 F612 V613 N614 C615 R747 I748	I446-F667 HydrophobicContact CG2-CB 4.18Å; I446-F667 HydrophobicContact CG2-CD1 3.87Å; I446-F667 HydrophobicContact CG2-CD2 3.71Å; I446-F667 HydrophobicContact CG2-CE1 4.15Å; I446-F667 HydrophobicContact CG2-CE2 3.93Å; I446-F667 HydrophobicContact CG2-CG 3.65Å; I446-F667 HydrophobicContact CG2-CZ 4.18Å; V478-F667 HydrophobicContact CG1-CE1 3.87Å; V478-F667 HydrophobicContact CG1-CE2 4.41Å; V478-F667 HydrophobicContact CG1-CZ 3.49Å; V478-F667 VanDerWaalsContact CG1-CZ 3.49Å; M563-F667 HydrophobicContact CG-CZ 4.2Å; M563-F667 HydrophobicContact SD-CE1 3.97Å; M563-F667 HydrophobicContact SD-CZ 3.59Å; M563-F667 VanDerWaalsContact SD-CZ 3.59Å; F612-F667 HydrophobicContact CB-CE1 4.16Å; V613-F667 WeakPolarHBondContact O-CD1 3.28Å; V613-F667 PolarHBondContact O-N 2.84Å; N614-F667 CarbonylContact C-O 3.52Å; N614-F667 WeakPolarHBondContact CA-O 3.47Å; N614-F667 HydrophobicContact CB-CE1 4.43Å; N614-F667 HydrophobicContact CB-CE2 3.96Å; N614-F667 HydrophobicContact CB-CZ 3.88Å; C615-F667 PolarHBondContact N-O 3.04Å; F667-R747 CarbonylContact C-O 3.58Å; F667-R747 WeakPolarHBondContact CA-O 3.43Å; F667-R747 WeakPolarHBondContact CB-O 3.21Å; F667-I748 HydrophobicContact CB-CB 4.21Å; F667-I748 HydrophobicContact CB-CG1 3.82Å; F667-I748 HydrophobicContact CB-CG2 4.25Å
668	G	98.9	Very high	94.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	129.9	-165.5	178.1	0	0	0	0	0	113.3	T448 Q482 C615 L670 D746 R747	T448-G668 WeakPolarHBondContact OG1-CA 3.42Å; Q482-G668 VanDerWaalsContact NE2-CA 3.27Å; C615-G668 WeakPolarHBondContact O-CA 3.39Å; G668-L670 VanDerWaalsContact C-N 3.34Å; G668-L670 PolarHBondContact O-N 2.84Å; G668-D746 WeakPolarHBondContact O-CA 3.19Å; G668-R747 PolarHBondContact N-O 2.89Å; G668-R747 PolarHBondContact O-N 3.13Å
669	D	98.8	Very high	95.3	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	86.5	169.9	-175.9	-1.9	0	0	0	109.3	N450 Q482 C615 H616 L617 N671 C745 H771	N450-D669 HydrophobicContact CB-CB 4.38Å; N450-D669 PolarHBondContact ND2-OD2 2.82Å; Q482-D669 HydrophobicContact CB-CB 4.46Å; Q482-D669 HydrophobicContact CG-CB 4.06Å; C615-D669 PolarHBondContact O-N 2.88Å; C615-D669 VanDerWaalsContact O-N 3.15Å; H616-D669 WeakPolarHBondContact CA-O 3.5Å; H616-D669 IonicContact CD2-OD2 2.62Å; H616-D669 IonicContact NE2-OD2 3.08Å; L617-D669 PolarHBondContact N-O 2.89Å; D669-N671 PolarHBondContact O-N 2.85Å; D669-N671 WeakPolarHBondContact OD1-CA 3.28Å; D669-N671 PolarHBondContact OD1-N 3.08Å; D669-N671 PolarHBondContact OD1-ND2 3.07Å; D669-N671 PolarHBondContact OD2-ND2 2.82Å; D669-C745 WeakPolarHBondContact OD1-CB 3.49Å; D669-H771 IonicContact OD2-CE1 3.96Å; D669-H771 PolarHBondContact OD2-CE1 3.38Å; D669-H771 IonicContact OD2-NE2 3.52Å
670	L	98.7	Very high	96.2	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.15	C	C	.	.			trans	-77.2	-10.3	178.2	-52.5	-166.7	0	0	0	112	C615 L617 R627 L666 G668 Y672 L700 C745 R747	C615-L670 HydrophobicContact CB-CD2 3.72Å; L617-L670 HydrophobicContact CD1-CB 4.13Å; L617-L670 HydrophobicContact CD1-CD2 4.11Å; L617-L670 HydrophobicContact CG-CD2 4.24Å; R627-L670 WeakPolarHBondContact CD-O 3.26Å; L666-L670 HydrophobicContact CD2-CD1 3.76Å; L666-L670 HydrophobicContact CD2-CD2 3.67Å; L666-L670 HydrophobicContact CD2-CG 4.39Å; G668-L670 VanDerWaalsContact C-N 3.34Å; G668-L670 PolarHBondContact O-N 2.84Å; L670-Y672 HydrophobicContact CB-CD2 3.8Å; L670-Y672 HydrophobicContact CB-CE2 4.12Å; L670-Y672 VanDerWaalsContact O-CD2 3.3Å; L670-Y672 WeakPolarHBondContact O-CD2 3.47Å; L670-Y672 PolarHBondContact O-N 3.12Å; L670-L700 HydrophobicContact CD1-CD2 3.91Å; L670-C745 PolarHBondContact N-O 2.85Å; L670-R747 HydrophobicContact CD1-CB 3.78Å; L670-R747 HydrophobicContact CD1-CG 4.43Å; L670-R747 HydrophobicContact CG-CB 4.06Å
671	N	98.5	Very high	96.8	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	14%	0.14	C	C	.	.			trans	59	12	170	-103	-62.3	0	0	0	116.8	L617 A618 R627 D669 R673 C745	L617-N671 PolarHBondContact O-ND2 2.68Å; L617-N671 VanDerWaalsContact O-ND2 3.15Å; A618-N671 WeakPolarHBondContact O-CB 3.3Å; R627-N671 VanDerWaalsContact CD-C 3.45Å; R627-N671 WeakPolarHBondContact CD-O 3.45Å; R627-N671 PolarHBondContact NE-O 2.8Å; R627-N671 PolarHBondContact NH1-O 2.85Å; D669-N671 PolarHBondContact O-N 2.85Å; D669-N671 WeakPolarHBondContact OD1-CA 3.28Å; D669-N671 PolarHBondContact OD1-N 3.08Å; D669-N671 PolarHBondContact OD1-ND2 3.07Å; D669-N671 PolarHBondContact OD2-ND2 2.82Å; N671-R673 VanDerWaalsContact O-CD 3.31Å; N671-R673 WeakPolarHBondContact O-CD 3.5Å; N671-R673 WeakPolarHBondContact O-CG 3.41Å; N671-R673 PolarHBondContact O-NE 2.83Å; N671-R673 PolarHBondContact OD1-NH2 3.41Å; N671-C745 PolarHBondContact N-O 3Å
672	Y	98.4	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.139	C	C	.	.			trans	-65.9	143.4	171.3	-71.7	-82.2	0	0	0	111	L617 I624 R627 N628 L670 E699 L700 E703 F710	L617-Y672 HydrophobicContact CD1-CE2 4.07Å; I624-Y672 HydrophobicContact CG1-CD1 4.31Å; I624-Y672 HydrophobicContact CG1-CE1 4.01Å; R627-Y672 HydrophobicContact CB-CE1 4.02Å; R627-Y672 HydrophobicContact CB-CE2 4.38Å; N628-Y672 PolarHBondContact OD1-OH 3.03Å; L670-Y672 HydrophobicContact CB-CD2 3.8Å; L670-Y672 HydrophobicContact CB-CE2 4.12Å; L670-Y672 VanDerWaalsContact O-CD2 3.3Å; L670-Y672 WeakPolarHBondContact O-CD2 3.47Å; L670-Y672 PolarHBondContact O-N 3.12Å; Y672-E699 WeakPolarHBondContact CA-OE2 3.21Å; Y672-E699 HydrophobicContact CD1-CB 3.67Å; Y672-E699 HydrophobicContact CG-CB 4.32Å; Y672-L700 HydrophobicContact CD1-CB 4.33Å; Y672-L700 HydrophobicContact CD2-CB 3.78Å; Y672-L700 HydrophobicContact CD2-CD1 3.86Å; Y672-L700 HydrophobicContact CD2-CD2 4.36Å; Y672-L700 HydrophobicContact CD2-CG 4.2Å; Y672-L700 HydrophobicContact CE2-CD1 3.77Å; Y672-L700 HydrophobicContact CG-CB 3.68Å; Y672-L700 HydrophobicContact CG-CD1 4.45Å; Y672-E703 HydrophobicContact CE1-CG 4.24Å; Y672-F710 HydrophobicContact CE2-CE2 4.05Å; Y672-F710 HydrophobicContact CE2-CZ 4.05Å; Y672-F710 AromaticContact CZ-CE2 3.85Å; Y672-F710 VanDerWaalsContact OH-CE2 3.29Å; Y672-F710 WeakPolarHBondContact OH-CE2 3.34Å; Y672-F710 WeakPolarHBondContact OH-CZ 3.38Å
673	R	97.8	Very high	97.5	Very high	19 Å²	19	20.9 Å²	20.9	7%	0.072	13%	0.129	C	C	.	.			trans	-116.9	168	-167.8	-52.5	-56.7	177.5	87.6	-8	112.3	N671 E699	N671-R673 VanDerWaalsContact O-CD 3.31Å; N671-R673 WeakPolarHBondContact O-CD 3.5Å; N671-R673 WeakPolarHBondContact O-CG 3.41Å; N671-R673 PolarHBondContact O-NE 2.83Å; N671-R673 PolarHBondContact OD1-NH2 3.41Å; R673-E699 PolarHBondContact N-OE2 3.4Å; R673-E699 VanDerWaalsContact O-CG 3.24Å; R673-E699 WeakPolarHBondContact O-CG 3.15Å; R673-E699 PolarHBondContact O-N 3.03Å
674	I	97	Very high	97.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-84.8	127.7	166.1	-56.3	-57.3	0	0	0	108.7	L677 V682 N697 D698 I741 P742 Y744	I674-L677 HydrophobicContact CG2-CB 4.34Å; I674-L677 HydrophobicContact CG2-CD1 4.28Å; I674-V682 HydrophobicContact CB-CG2 4.43Å; I674-V682 HydrophobicContact CG2-CG2 3.82Å; I674-N697 HydrophobicContact CG2-CB 3.86Å; I674-D698 HydrophobicContact CD1-CB 3.73Å; I674-I741 HydrophobicContact CB-CG2 4.33Å; I674-P742 WeakPolarHBondContact CG1-O 3.29Å; I674-Y744 HydrophobicContact CD1-CD2 4.22Å
675	T	94.8	Very high	97.7	Very high	35 Å²	35	26.3 Å²	26.3	22%	0.215	15%	0.15	C	C	.	.			trans	-118.1	153.7	-179.5	50.5	0	0	0	0	111.2	L677 N697 E699 K702	T675-L677 PolarHBondContact O-N 3.06Å; T675-N697 PolarHBondContact N-O 2.88Å; T675-N697 VanDerWaalsContact O-CB 3.23Å; T675-N697 WeakPolarHBondContact O-CB 3.15Å; T675-N697 PolarHBondContact O-OD1 3.15Å; T675-N697 PolarHBondContact OG1-O 3.22Å; T675-E699 HydrophobicContact CG2-CG 3.67Å; T675-E699 VanDerWaalsContact CG2-OE1 3.23Å; T675-E699 WeakPolarHBondContact CG2-OE1 3.38Å; T675-K702 PolarHBondContact OG1-NZ 3.45Å; T675-K702 VanDerWaalsContact OG1-NZ 3.15Å
676	G	94.6	Very high	97.6	Very high	78 Å²	78	27 Å²	27	80%	0.804	16%	0.155	S	C	*	.	S	Bend	trans	76.3	-0.5	178.2	0	0	0	0	0	115.9
677	L	96	Very high	97.6	Very high	40 Å²	40	35.1 Å²	35.1	21%	0.209	19%	0.185	C	C	.	.	S	Bend	trans	-125.5	139.9	170.9	-62.7	175.1	0	0	0	109.5	I674 T675 V682 L685 L694 N697	I674-L677 HydrophobicContact CG2-CB 4.34Å; I674-L677 HydrophobicContact CG2-CD1 4.28Å; T675-L677 PolarHBondContact O-N 3.06Å; L677-V682 HydrophobicContact CB-CG2 3.66Å; L677-V682 HydrophobicContact CD1-CG2 4.19Å; L677-L685 HydrophobicContact CD1-CD1 3.84Å; L677-L694 HydrophobicContact CD1-CD2 4.18Å; L677-N697 HydrophobicContact CD1-CB 4.12Å; L677-N697 WeakPolarHBondContact CD1-ND2 3.25Å; L677-N697 HydrophobicContact CG-CB 4.37Å
678	D	96.2	Very high	97.6	Very high	78 Å²	78	40.4 Å²	40.4	42%	0.417	21%	0.21	S	C	.	.			trans	-76.7	170.8	170.9	63.3	51.7	0	0	0	112.4	D680 N681 V682	D678-D680 VanDerWaalsContact C-N 3.3Å; D678-D680 PolarHBondContact O-N 3.28Å; D678-D680 PolarHBondContact OD1-N 3.27Å; D678-D680 VanDerWaalsContact OD1-N 3.09Å; D678-N681 PolarHBondContact O-N 2.93Å; D678-N681 VanDerWaalsContact OD1-CB 3.29Å; D678-N681 WeakPolarHBondContact OD1-CB 3.31Å; D678-N681 PolarHBondContact OD1-N 3.08Å; D678-N681 PolarHBondContact OD1-ND2 2.92Å; D678-N681 PolarHBondContact OD2-ND2 2.99Å; D678-V682 WeakPolarHBondContact O-CG2 3.43Å; D678-V682 PolarHBondContact O-N 3.14Å
679	S	96.8	Very high	97.5	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-35.5	-175.4	-140.8	0	0	0	0	112.4	R683 Y739	S679-R683 VanDerWaalsContact CB-NH1 3.25Å; S679-R683 WeakPolarHBondContact O-CB 2.98Å; S679-R683 VanDerWaalsContact O-CG 3.31Å; S679-R683 WeakPolarHBondContact O-CG 3.45Å; S679-R683 PolarHBondContact O-N 3.06Å; S679-R683 PolarHBondContact O-NH1 3.4Å; S679-R683 PolarHBondContact OG-NH1 3.11Å; S679-Y739 PolarHBondContact OG-O 3.16Å
680	D	98	Very high	97.4	Very high	93 Å²	93	48.5 Å²	48.5	50%	0.497	25%	0.253	S	S	.	.	H	α-helix	trans	-74.3	-43	-178.9	-72.1	-42.8	0	0	0	112.1	D678 R683 R684 Y739	D678-D680 VanDerWaalsContact C-N 3.3Å; D678-D680 PolarHBondContact O-N 3.28Å; D678-D680 PolarHBondContact OD1-N 3.27Å; D678-D680 VanDerWaalsContact OD1-N 3.09Å; D680-R683 PolarHBondContact O-N 3.19Å; D680-R684 VanDerWaalsContact O-CB 3.27Å; D680-R684 WeakPolarHBondContact O-CB 3.39Å; D680-R684 PolarHBondContact O-N 3.48Å; D680-Y739 PolarHBondContact OD1-OH 3.03Å
681	N	97.9	Very high	97.4	Very high	50 Å²	50	50 Å²	50	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-41.7	175.2	-82.2	-50.3	0	0	0	111.7	D678 R684 L685	D678-N681 PolarHBondContact O-N 2.93Å; D678-N681 VanDerWaalsContact OD1-CB 3.29Å; D678-N681 WeakPolarHBondContact OD1-CB 3.31Å; D678-N681 PolarHBondContact OD1-N 3.08Å; D678-N681 PolarHBondContact OD1-ND2 2.92Å; D678-N681 PolarHBondContact OD2-ND2 2.99Å; N681-R684 PolarHBondContact O-N 3.01Å; N681-R684 PolarHBondContact OD1-NE 3.01Å; N681-R684 PolarHBondContact OD1-NH2 3.06Å; N681-L685 WeakPolarHBondContact O-CG 3.39Å; N681-L685 PolarHBondContact O-N 2.89Å
682	V	98.3	Very high	97.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-52	173.8	170.9	0	0	0	0	110.6	I674 L677 D678 R684 L685 V686 L694 I741 P742	I674-V682 HydrophobicContact CB-CG2 4.43Å; I674-V682 HydrophobicContact CG2-CG2 3.82Å; L677-V682 HydrophobicContact CB-CG2 3.66Å; L677-V682 HydrophobicContact CD1-CG2 4.19Å; D678-V682 WeakPolarHBondContact O-CG2 3.43Å; D678-V682 PolarHBondContact O-N 3.14Å; V682-R684 PolarHBondContact O-N 3.34Å; V682-L685 PolarHBondContact O-N 3.1Å; V682-L685 VanDerWaalsContact O-N 3.15Å; V682-V686 HydrophobicContact CG1-CG2 4.45Å; V682-V686 WeakPolarHBondContact O-CG2 3.43Å; V682-V686 PolarHBondContact O-N 2.87Å; V682-L694 HydrophobicContact CB-CD2 4.17Å; V682-L694 HydrophobicContact CG1-CD2 3.87Å; V682-L694 HydrophobicContact CG2-CD2 4.01Å; V682-I741 HydrophobicContact CB-CG2 4.05Å; V682-I741 HydrophobicContact CG1-CG2 4.19Å; V682-I741 HydrophobicContact CG2-CG2 3.68Å; V682-P742 HydrophobicContact CG1-CB 3.81Å; V682-P742 HydrophobicContact CG1-CG 3.95Å
683	R	98.3	Very high	97.1	Very high	19 Å²	19	56 Å²	56	7%	0.072	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-35.9	177.7	-73.4	-173.6	-172.3	85.1	-3.4	112.1	S679 D680 V686 R687 Y733 D734 Y739 P742	S679-R683 VanDerWaalsContact CB-NH1 3.25Å; S679-R683 WeakPolarHBondContact O-CB 2.98Å; S679-R683 VanDerWaalsContact O-CG 3.31Å; S679-R683 WeakPolarHBondContact O-CG 3.45Å; S679-R683 PolarHBondContact O-N 3.06Å; S679-R683 PolarHBondContact O-NH1 3.4Å; S679-R683 PolarHBondContact OG-NH1 3.11Å; D680-R683 PolarHBondContact O-N 3.19Å; R683-V686 PolarHBondContact O-N 3.49Å; R683-R687 WeakPolarHBondContact O-CG 3.26Å; R683-R687 PolarHBondContact O-N 3.41Å; R683-Y733 HydrophobicContact CG-CD2 4.45Å; R683-D734 PolarHBondContact NH2-O 3.46Å; R683-Y739 VanDerWaalsContact CZ-CE2 3.41Å; R683-Y739 PolarHBondContact NH1-OH 3.31Å; R683-Y739 VanDerWaalsContact NH1-OH 3.15Å; R683-Y739 VanDerWaalsContact NH2-CD2 3.3Å; R683-P742 HydrophobicContact CG-CG 3.98Å
684	R	98.2	Very high	97.1	Very high	102 Å²	102	55.1 Å²	55.1	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-47.7	174.7	-179	177.8	58.7	75.5	-4.4	112.1	D680 N681 V682 V686 R687 Q688	D680-R684 VanDerWaalsContact O-CB 3.27Å; D680-R684 WeakPolarHBondContact O-CB 3.39Å; D680-R684 PolarHBondContact O-N 3.48Å; N681-R684 PolarHBondContact O-N 3.01Å; N681-R684 PolarHBondContact OD1-NE 3.01Å; N681-R684 PolarHBondContact OD1-NH2 3.06Å; V682-R684 PolarHBondContact O-N 3.34Å; R684-V686 VanDerWaalsContact C-N 3.31Å; R684-V686 PolarHBondContact O-N 2.91Å; R684-R687 PolarHBondContact O-N 2.96Å; R684-Q688 WeakPolarHBondContact O-CG 3.43Å; R684-Q688 PolarHBondContact O-N 2.95Å; R684-Q688 VanDerWaalsContact O-N 3.11Å
685	L	98.2	Very high	97.1	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-36	177.2	-71.1	170.8	0	0	0	112.1	L677 N681 V682 Q688 N689 N690 L694	L677-L685 HydrophobicContact CD1-CD1 3.84Å; N681-L685 WeakPolarHBondContact O-CG 3.39Å; N681-L685 PolarHBondContact O-N 2.89Å; V682-L685 PolarHBondContact O-N 3.1Å; V682-L685 VanDerWaalsContact O-N 3.15Å; L685-Q688 CarbonylContact O-C 3.54Å; L685-Q688 PolarHBondContact O-N 3.09Å; L685-N689 PolarHBondContact O-N 3.49Å; L685-N690 HydrophobicContact CD2-CB 4.1Å; L685-N690 PolarHBondContact O-N 3.37Å; L685-L694 HydrophobicContact CB-CD1 4.16Å; L685-L694 HydrophobicContact CB-CD2 3.77Å; L685-L694 HydrophobicContact CB-CG 3.8Å; L685-L694 HydrophobicContact CD1-CD2 3.65Å; L685-L694 HydrophobicContact CD1-CG 4.1Å; L685-L694 HydrophobicContact CG-CD2 4.37Å
686	V	98	Very high	97.2	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.097	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-47	173	176.1	0	0	0	0	111.1	V682 R683 R684 Q688 N689 L694 P721 P722 Y733	V682-V686 HydrophobicContact CG1-CG2 4.45Å; V682-V686 WeakPolarHBondContact O-CG2 3.43Å; V682-V686 PolarHBondContact O-N 2.87Å; R683-V686 PolarHBondContact O-N 3.49Å; R684-V686 VanDerWaalsContact C-N 3.31Å; R684-V686 PolarHBondContact O-N 2.91Å; V686-Q688 PolarHBondContact O-N 3.22Å; V686-N689 PolarHBondContact O-N 3.24Å; V686-N689 PolarHBondContact O-OD1 3.2Å; V686-L694 HydrophobicContact CG2-CD1 3.58Å; V686-P721 HydrophobicContact CG1-CB 3.84Å; V686-P722 HydrophobicContact CG2-CG 3.92Å; V686-Y733 HydrophobicContact CG1-CE2 3.96Å
687	R	97.7	Very high	97.4	Very high	172 Å²	172	60 Å²	60	65%	0.649	29%	0.293	S	S	*	.	H	α-helix	trans	-60.1	-28	175.6	-69.8	-179.3	-139.9	108.6	-0.2	113.1	R683 R684 N689	R683-R687 WeakPolarHBondContact O-CG 3.26Å; R683-R687 PolarHBondContact O-N 3.41Å; R684-R687 PolarHBondContact O-N 2.96Å; R687-N689 VanDerWaalsContact C-N 3.31Å
688	Q	98	Very high	97.4	Very high	112 Å²	112	58.1 Å²	58.1	52%	0.523	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	0.1	176.4	-68.6	175.1	-24.1	0	0	113.2	R684 L685 V686 N690	R684-Q688 WeakPolarHBondContact O-CG 3.43Å; R684-Q688 PolarHBondContact O-N 2.95Å; R684-Q688 VanDerWaalsContact O-N 3.11Å; L685-Q688 CarbonylContact O-C 3.54Å; L685-Q688 PolarHBondContact O-N 3.09Å; V686-Q688 PolarHBondContact O-N 3.22Å; Q688-N690 HydrophobicContact CB-CB 4.31Å; Q688-N690 PolarHBondContact O-N 3Å; Q688-N690 VanDerWaalsContact O-N 3.14Å
689	N	97.5	Very high	97.5	Very high	112 Å²	112	54.8 Å²	54.8	60%	0.599	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	27.3	-171.4	-60.2	-37.6	0	0	0	113.7	L685 V686 R687 Y691	L685-N689 PolarHBondContact O-N 3.49Å; V686-N689 PolarHBondContact O-N 3.24Å; V686-N689 PolarHBondContact O-OD1 3.2Å; R687-N689 VanDerWaalsContact C-N 3.31Å; N689-Y691 VanDerWaalsContact C-N 3.32Å; N689-Y691 PolarHBondContact O-N 3.33Å; N689-Y691 VanDerWaalsContact O-N 3.15Å; N689-Y691 PolarHBondContact OD1-OH 3.01Å
690	N	97.3	Very high	97.6	Very high	58 Å²	58	54.2 Å²	54.2	31%	0.31	26%	0.261	S	S	.	.			trans	-92.2	64.2	-177.2	-170.5	-9.9	0	0	0	111	L685 Q688 V692 S693 L694	L685-N690 HydrophobicContact CD2-CB 4.1Å; L685-N690 PolarHBondContact O-N 3.37Å; Q688-N690 HydrophobicContact CB-CB 4.31Å; Q688-N690 PolarHBondContact O-N 3Å; Q688-N690 VanDerWaalsContact O-N 3.14Å; N690-V692 VanDerWaalsContact C-N 3.3Å; N690-V692 PolarHBondContact O-N 3.24Å; N690-S693 VanDerWaalsContact CG-OG 3.23Å; N690-S693 PolarHBondContact ND2-OG 3.21Å; N690-S693 VanDerWaalsContact ND2-OG 3.1Å; N690-S693 PolarHBondContact O-N 2.93Å; N690-S693 VanDerWaalsContact OD1-CB 3.32Å; N690-S693 WeakPolarHBondContact OD1-CB 3.34Å; N690-S693 PolarHBondContact OD1-N 2.77Å; N690-S693 PolarHBondContact OD1-OG 3.03Å; N690-L694 PolarHBondContact O-N 3.38Å
691	Y	97.5	Very high	97.5	Very high	33 Å²	33	50.7 Å²	50.7	13%	0.129	24%	0.244	C	C	.	.	H	α-helix	trans	-68.9	-29.1	-177.5	-47.1	-38.2	0	0	0	112.5	N689 S693 L694 L695 T719 P721	N689-Y691 VanDerWaalsContact C-N 3.32Å; N689-Y691 PolarHBondContact O-N 3.33Å; N689-Y691 VanDerWaalsContact O-N 3.15Å; N689-Y691 PolarHBondContact OD1-OH 3.01Å; Y691-S693 VanDerWaalsContact C-N 3.26Å; Y691-S693 PolarHBondContact O-N 2.66Å; Y691-L694 HydrophobicContact CD1-CD1 4.25Å; Y691-L694 WeakPolarHBondContact O-CB 3.17Å; Y691-L694 PolarHBondContact O-N 2.96Å; Y691-L694 VanDerWaalsContact O-N 3.1Å; Y691-L695 VanDerWaalsContact O-CG 3.31Å; Y691-L695 WeakPolarHBondContact O-CG 3.26Å; Y691-L695 PolarHBondContact O-N 3.14Å; Y691-T719 WeakPolarHBondContact CE2-O 3.27Å; Y691-P721 HydrophobicContact CE1-CB 3.9Å
692	V	96.3	Very high	97.4	Very high	94 Å²	94	52.6 Å²	52.6	57%	0.57	25%	0.25	S	C	*	.	H	α-helix	trans	-57.3	-41.9	176	177.8	0	0	0	0	111	N690 K696	N690-V692 VanDerWaalsContact C-N 3.3Å; N690-V692 PolarHBondContact O-N 3.24Å; V692-K696 PolarHBondContact O-N 3.07Å
693	S	96.1	Very high	97.3	Very high	35 Å²	35	53.9 Å²	53.9	25%	0.245	26%	0.256	C	S	.	.	H	α-helix	trans	-73.2	-31.6	178.2	-56.7	0	0	0	0	112.6	N690 Y691 N697	N690-S693 VanDerWaalsContact CG-OG 3.23Å; N690-S693 PolarHBondContact ND2-OG 3.21Å; N690-S693 VanDerWaalsContact ND2-OG 3.1Å; N690-S693 PolarHBondContact O-N 2.93Å; N690-S693 VanDerWaalsContact OD1-CB 3.32Å; N690-S693 WeakPolarHBondContact OD1-CB 3.34Å; N690-S693 PolarHBondContact OD1-N 2.77Å; N690-S693 PolarHBondContact OD1-OG 3.03Å; Y691-S693 VanDerWaalsContact C-N 3.26Å; Y691-S693 PolarHBondContact O-N 2.66Å; S693-N697 PolarHBondContact O-ND2 3.45Å
694	L	97.3	Very high	97.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-46.2	173.1	-71.8	173.2	0	0	0	111.6	L677 V682 L685 V686 N690 Y691 K696 N697 D698 P722	L677-L694 HydrophobicContact CD1-CD2 4.18Å; V682-L694 HydrophobicContact CB-CD2 4.17Å; V682-L694 HydrophobicContact CG1-CD2 3.87Å; V682-L694 HydrophobicContact CG2-CD2 4.01Å; L685-L694 HydrophobicContact CB-CD1 4.16Å; L685-L694 HydrophobicContact CB-CD2 3.77Å; L685-L694 HydrophobicContact CB-CG 3.8Å; L685-L694 HydrophobicContact CD1-CD2 3.65Å; L685-L694 HydrophobicContact CD1-CG 4.1Å; L685-L694 HydrophobicContact CG-CD2 4.37Å; V686-L694 HydrophobicContact CG2-CD1 3.58Å; N690-L694 PolarHBondContact O-N 3.38Å; Y691-L694 HydrophobicContact CD1-CD1 4.25Å; Y691-L694 WeakPolarHBondContact O-CB 3.17Å; Y691-L694 PolarHBondContact O-N 2.96Å; Y691-L694 VanDerWaalsContact O-N 3.1Å; L694-K696 PolarHBondContact O-N 2.83Å; L694-N697 WeakPolarHBondContact O-CA 3.4Å; L694-N697 WeakPolarHBondContact O-CB 3.45Å; L694-N697 PolarHBondContact O-N 2.93Å; L694-D698 PolarHBondContact O-N 2.97Å; L694-P722 HydrophobicContact CD1-CG 4.38Å
695	L	97.4	Very high	97	Very high	31 Å²	31	55.7 Å²	55.7	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-67.8	-22.1	-175.6	-68.6	165.2	0	0	0	113.4	Y691 N697 D698 I718 Y744	Y691-L695 VanDerWaalsContact O-CG 3.31Å; Y691-L695 WeakPolarHBondContact O-CG 3.26Å; Y691-L695 PolarHBondContact O-N 3.14Å; L695-N697 PolarHBondContact O-N 3.49Å; L695-N697 VanDerWaalsContact O-N 3.15Å; L695-D698 HydrophobicContact CD2-CB 4.17Å; L695-D698 WeakPolarHBondContact O-CB 3.45Å; L695-D698 PolarHBondContact O-N 2.86Å; L695-I718 HydrophobicContact CD1-CB 3.87Å; L695-I718 HydrophobicContact CD1-CG2 4.26Å; L695-I718 HydrophobicContact CD2-CB 4.45Å; L695-I718 HydrophobicContact CD2-CD1 3.85Å; L695-Y744 HydrophobicContact CD2-CD2 3.81Å; L695-Y744 HydrophobicContact CD2-CE2 3.79Å; L695-Y744 HydrophobicContact CG-CE2 4.29Å
696	K	96.9	Very high	96.7	Very high	147 Å²	147	57.3 Å²	57.3	64%	0.639	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.6	167.7	-70.4	178.9	-178.8	-176.7	0	112.8	V692 L694 K702	V692-K696 PolarHBondContact O-N 3.07Å; L694-K696 PolarHBondContact O-N 2.83Å; K696-K702 WeakPolarHBondContact O-CE 3.43Å
697	N	96.9	Very high	96.1	Very high	41 Å²	41	65.2 Å²	65.2	22%	0.219	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-0.6	-176.7	-71.9	-62.7	0	0	0	113.1	I674 T675 L677 S693 L694 L695	I674-N697 HydrophobicContact CG2-CB 3.86Å; T675-N697 PolarHBondContact N-O 2.88Å; T675-N697 VanDerWaalsContact O-CB 3.23Å; T675-N697 WeakPolarHBondContact O-CB 3.15Å; T675-N697 PolarHBondContact O-OD1 3.15Å; T675-N697 PolarHBondContact OG1-O 3.22Å; L677-N697 HydrophobicContact CD1-CB 4.12Å; L677-N697 WeakPolarHBondContact CD1-ND2 3.25Å; L677-N697 HydrophobicContact CG-CB 4.37Å; S693-N697 PolarHBondContact O-ND2 3.45Å; L694-N697 WeakPolarHBondContact O-CA 3.4Å; L694-N697 WeakPolarHBondContact O-CB 3.45Å; L694-N697 PolarHBondContact O-N 2.93Å; L695-N697 PolarHBondContact O-N 3.49Å; L695-N697 VanDerWaalsContact O-N 3.15Å
698	D	97.8	Very high	95.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-75.6	127	177.6	176.7	63.9	0	0	0	111.1	I674 L694 L695 S701 K702 R747	I674-D698 HydrophobicContact CD1-CB 3.73Å; L694-D698 PolarHBondContact O-N 2.97Å; L695-D698 HydrophobicContact CD2-CB 4.17Å; L695-D698 WeakPolarHBondContact O-CB 3.45Å; L695-D698 PolarHBondContact O-N 2.86Å; D698-S701 PolarHBondContact O-N 3.45Å; D698-S701 WeakPolarHBondContact OD2-CB 3.49Å; D698-S701 PolarHBondContact OD2-N 2.7Å; D698-S701 PolarHBondContact OD2-OG 3.43Å; D698-K702 WeakPolarHBondContact O-CG 3.48Å; D698-K702 PolarHBondContact O-N 3.36Å; D698-K702 VanDerWaalsContact O-N 3.07Å; D698-R747 IonicContact OD1-NH1 3.89Å; D698-R747 PolarHBondContact OD1-NH1 3.28Å; D698-R747 VanDerWaalsContact OD1-NH1 3.12Å; D698-R747 IonicContact OD2-CZ 3.1Å; D698-R747 IonicContact OD2-NH1 3.28Å; D698-R747 PolarHBondContact OD2-NH1 3.3Å; D698-R747 IonicContact OD2-NH2 3.84Å; D698-R747 PolarHBondContact OD2-NH2 3.4Å
699	E	97.7	Very high	95.2	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-44.8	-178.6	-69.8	168.3	166.8	0	0	112.3	I624 R627 Y672 R673 T675 S701 K702 E703	I624-E699 HydrophobicContact CD1-CB 3.91Å; I624-E699 HydrophobicContact CD1-CG 3.98Å; R627-E699 IonicContact CZ-OE2 3.86Å; R627-E699 IonicContact NE-OE2 3.47Å; R627-E699 IonicContact NH2-OE1 2.86Å; R627-E699 PolarHBondContact NH2-OE1 3.42Å; R627-E699 IonicContact NH2-OE2 3.93Å; R627-E699 PolarHBondContact NH2-OE2 3.38Å; Y672-E699 WeakPolarHBondContact CA-OE2 3.21Å; Y672-E699 HydrophobicContact CD1-CB 3.67Å; Y672-E699 HydrophobicContact CG-CB 4.32Å; R673-E699 PolarHBondContact N-OE2 3.4Å; R673-E699 VanDerWaalsContact O-CG 3.24Å; R673-E699 WeakPolarHBondContact O-CG 3.15Å; R673-E699 PolarHBondContact O-N 3.03Å; T675-E699 HydrophobicContact CG2-CG 3.67Å; T675-E699 VanDerWaalsContact CG2-OE1 3.23Å; T675-E699 WeakPolarHBondContact CG2-OE1 3.38Å; E699-S701 VanDerWaalsContact C-N 3.34Å; E699-S701 PolarHBondContact O-N 3.11Å; E699-K702 WeakPolarHBondContact O-CB 3.28Å; E699-K702 PolarHBondContact O-N 3.43Å; E699-K702 VanDerWaalsContact O-N 3.16Å; E699-E703 WeakPolarHBondContact O-CG 3.46Å; E699-E703 PolarHBondContact O-N 2.79Å
700	L	97.8	Very high	94.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-42.2	-179.2	-178.9	60.1	0	0	0	111.2	L670 Y672 K702 E703 L704 F710 R747 I749	L670-L700 HydrophobicContact CD1-CD2 3.91Å; Y672-L700 HydrophobicContact CD1-CB 4.33Å; Y672-L700 HydrophobicContact CD2-CB 3.78Å; Y672-L700 HydrophobicContact CD2-CD1 3.86Å; Y672-L700 HydrophobicContact CD2-CD2 4.36Å; Y672-L700 HydrophobicContact CD2-CG 4.2Å; Y672-L700 HydrophobicContact CE2-CD1 3.77Å; Y672-L700 HydrophobicContact CG-CB 3.68Å; Y672-L700 HydrophobicContact CG-CD1 4.45Å; L700-K702 VanDerWaalsContact C-N 3.27Å; L700-K702 PolarHBondContact O-N 3.25Å; L700-E703 PolarHBondContact O-N 3.42Å; L700-E703 VanDerWaalsContact O-N 3.14Å; L700-L704 HydrophobicContact CD1-CD1 4.31Å; L700-L704 HydrophobicContact CD1-CG 4.17Å; L700-L704 HydrophobicContact CG-CD1 3.95Å; L700-L704 HydrophobicContact CG-CG 4.3Å; L700-L704 WeakPolarHBondContact O-CB 3.48Å; L700-L704 WeakPolarHBondContact O-CG 3.33Å; L700-L704 PolarHBondContact O-N 3.09Å; L700-F710 HydrophobicContact CD1-CD2 3.86Å; L700-F710 HydrophobicContact CD1-CE2 3.61Å; L700-F710 HydrophobicContact CD1-CZ 4.21Å; L700-R747 HydrophobicContact CD2-CB 3.93Å; L700-R747 HydrophobicContact CD2-CG 3.71Å; L700-I749 HydrophobicContact CD2-CG2 4.37Å
701	S	97.1	Very high	94.4	Very high	20 Å²	20	54.1 Å²	54.1	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-58	-42.3	175.1	-60.4	0	0	0	0	111.1	D698 E699 N705	D698-S701 PolarHBondContact O-N 3.45Å; D698-S701 WeakPolarHBondContact OD2-CB 3.49Å; D698-S701 PolarHBondContact OD2-N 2.7Å; D698-S701 PolarHBondContact OD2-OG 3.43Å; E699-S701 VanDerWaalsContact C-N 3.34Å; E699-S701 PolarHBondContact O-N 3.11Å; S701-N705 WeakPolarHBondContact O-CB 3.26Å; S701-N705 PolarHBondContact O-N 3.11Å; S701-N705 VanDerWaalsContact O-N 3.12Å; S701-N705 PolarHBondContact O-ND2 3Å
702	K	96.1	Very high	94	Very high	89 Å²	89	54.3 Å²	54.3	39%	0.387	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-42.7	174.7	-69.7	170	-176.5	175.7	0	111.6	T675 K696 D698 E699 L700 N705 S706	T675-K702 PolarHBondContact OG1-NZ 3.45Å; T675-K702 VanDerWaalsContact OG1-NZ 3.15Å; K696-K702 WeakPolarHBondContact O-CE 3.43Å; D698-K702 WeakPolarHBondContact O-CG 3.48Å; D698-K702 PolarHBondContact O-N 3.36Å; D698-K702 VanDerWaalsContact O-N 3.07Å; E699-K702 WeakPolarHBondContact O-CB 3.28Å; E699-K702 PolarHBondContact O-N 3.43Å; E699-K702 VanDerWaalsContact O-N 3.16Å; L700-K702 VanDerWaalsContact C-N 3.27Å; L700-K702 PolarHBondContact O-N 3.25Å; K702-N705 PolarHBondContact O-N 3.37Å; K702-S706 WeakPolarHBondContact O-CB 3.18Å; K702-S706 PolarHBondContact O-N 3.45Å
703	E	95.9	Very high	93.9	Very high	28 Å²	28	51 Å²	51	13%	0.131	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-42.9	-179.8	-72.9	-63.1	-179.4	0	0	113.2	I624 N628 Y672 E699 L700 N705 S706 R707 I709	I624-E703 HydrophobicContact CD1-CG 4.04Å; I624-E703 VanDerWaalsContact CD1-OE1 3.28Å; I624-E703 WeakPolarHBondContact CD1-OE1 3.47Å; N628-E703 PolarHBondContact ND2-OE1 3.04Å; Y672-E703 HydrophobicContact CE1-CG 4.24Å; E699-E703 WeakPolarHBondContact O-CG 3.46Å; E699-E703 PolarHBondContact O-N 2.79Å; L700-E703 PolarHBondContact O-N 3.42Å; L700-E703 VanDerWaalsContact O-N 3.14Å; E703-N705 VanDerWaalsContact C-N 3.29Å; E703-N705 PolarHBondContact O-N 3.42Å; E703-S706 PolarHBondContact O-N 3.41Å; E703-S706 PolarHBondContact O-OG 3.24Å; E703-S706 PolarHBondContact OE2-OG 3.04Å; E703-R707 PolarHBondContact O-N 3.21Å; E703-I709 HydrophobicContact CB-CG2 3.65Å; E703-I709 HydrophobicContact CG-CG2 4.04Å; E703-I709 WeakPolarHBondContact OE2-CG2 3.41Å
704	L	95.6	Very high	93.9	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.131	26%	0.262	C	S	.	.	H	α-helix	trans	-59.4	-41.5	172.3	-75	166.8	0	0	0	111.5	L700 R707 F710 F713 E715 I749	L700-L704 HydrophobicContact CD1-CD1 4.31Å; L700-L704 HydrophobicContact CD1-CG 4.17Å; L700-L704 HydrophobicContact CG-CD1 3.95Å; L700-L704 HydrophobicContact CG-CG 4.3Å; L700-L704 WeakPolarHBondContact O-CB 3.48Å; L700-L704 WeakPolarHBondContact O-CG 3.33Å; L700-L704 PolarHBondContact O-N 3.09Å; L704-R707 PolarHBondContact O-N 3.11Å; L704-F710 HydrophobicContact CD2-CB 3.64Å; L704-F710 HydrophobicContact CD2-CG 4.34Å; L704-F713 HydrophobicContact CD2-CB 4Å; L704-E715 HydrophobicContact CD1-CB 4.1Å; L704-I749 HydrophobicContact CD1-CG2 4.2Å; L704-I749 HydrophobicContact CD2-CD1 4.48Å
705	N	93.8	Very high	94	Very high	134 Å²	134	56.8 Å²	56.8	72%	0.717	27%	0.271	S	S	*	.	H	α-helix	trans	-73.3	-31.1	179.2	-71.8	-29.5	0	0	0	113	S701 K702 E703 R707	S701-N705 WeakPolarHBondContact O-CB 3.26Å; S701-N705 PolarHBondContact O-N 3.11Å; S701-N705 VanDerWaalsContact O-N 3.12Å; S701-N705 PolarHBondContact O-ND2 3Å; K702-N705 PolarHBondContact O-N 3.37Å; E703-N705 VanDerWaalsContact C-N 3.29Å; E703-N705 PolarHBondContact O-N 3.42Å; N705-R707 PolarHBondContact O-N 3.25Å
706	S	92.9	Very high	94	Very high	49 Å²	49	58 Å²	58	34%	0.343	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-24.6	177.9	86.9	0	0	0	0	112	K702 E703 K708	K702-S706 WeakPolarHBondContact O-CB 3.18Å; K702-S706 PolarHBondContact O-N 3.45Å; E703-S706 PolarHBondContact O-N 3.41Å; E703-S706 PolarHBondContact O-OG 3.24Å; E703-S706 PolarHBondContact OE2-OG 3.04Å; S706-K708 PolarHBondContact O-N 2.81Å; S706-K708 VanDerWaalsContact O-N 3.08Å; S706-K708 WeakPolarHBondContact OG-CB 3.36Å; S706-K708 PolarHBondContact OG-N 2.99Å
707	R	84.7	Confident	94	Very high	183 Å²	183	58 Å²	58	69%	0.691	28%	0.276	S	S	*	.			trans	56.9	14.6	-175.1	-55.2	-174.6	-179.8	-169.9	1.5	114.2	E703 L704 N705	E703-R707 PolarHBondContact O-N 3.21Å; L704-R707 PolarHBondContact O-N 3.11Å; N705-R707 PolarHBondContact O-N 3.25Å
708	K	86.1	Confident	94	Very high	171 Å²	171	56.5 Å²	56.5	74%	0.743	27%	0.268	S	S	*	.	S	Bend	trans	-80.1	-27.6	174.9	-62.9	-179.4	-179.8	-178.5	0	112.1	S706	S706-K708 PolarHBondContact O-N 2.81Å; S706-K708 VanDerWaalsContact O-N 3.08Å; S706-K708 WeakPolarHBondContact OG-CB 3.36Å; S706-K708 PolarHBondContact OG-N 2.99Å
709	I	90.2	Very high	94	Very high	10 Å²	10	60.9 Å²	60.9	5%	0.051	30%	0.295	C	S	.	.	S	Bend	trans	-139.9	155.3	178.9	-168.2	173.2	0	0	0	108	N628 F631 E703 Q711	N628-I709 VanDerWaalsContact CA-CD1 3.42Å; N628-I709 HydrophobicContact CB-CD1 3.46Å; N628-I709 VanDerWaalsContact CB-CD1 3.46Å; N628-I709 VanDerWaalsContact CG-CD1 3.49Å; N628-I709 WeakPolarHBondContact OD1-CD1 3.28Å; F631-I709 HydrophobicContact CB-CD1 4.46Å; F631-I709 HydrophobicContact CD1-CD1 3.68Å; F631-I709 HydrophobicContact CD1-CG1 3.51Å; F631-I709 HydrophobicContact CE1-CD1 4.43Å; F631-I709 HydrophobicContact CE1-CG1 3.76Å; F631-I709 HydrophobicContact CG-CD1 4.46Å; E703-I709 HydrophobicContact CB-CG2 3.65Å; E703-I709 HydrophobicContact CG-CG2 4.04Å; E703-I709 WeakPolarHBondContact OE2-CG2 3.41Å; I709-Q711 PolarHBondContact O-N 3.17Å
710	F	91.2	Very high	94	Very high	4 Å²	4	61 Å²	61	2%	0.018	30%	0.295	C	S	.	.	S	Bend	trans	54.7	31.3	-172.8	-52.6	-72.8	0	0	0	113.9	F631 L666 Y672 L700 L704 G712 F713 I749	F631-F710 HydrophobicContact CB-CE1 4.24Å; F631-F710 HydrophobicContact CB-CZ 4.13Å; F631-F710 HydrophobicContact CD1-CD1 4.14Å; F631-F710 AromaticContact CD1-CE1 3.82Å; F631-F710 HydrophobicContact CD1-CE1 3.82Å; F631-F710 HydrophobicContact CD1-CZ 4.14Å; F631-F710 AromaticContact CD2-CD1 4Å; F631-F710 HydrophobicContact CD2-CD1 4Å; F631-F710 AromaticContact CD2-CE1 3.33Å; F631-F710 HydrophobicContact CD2-CE1 3.33Å; F631-F710 HydrophobicContact CD2-CZ 4.08Å; F631-F710 AromaticContact CE1-CD1 3.78Å; F631-F710 HydrophobicContact CE1-CD1 3.78Å; F631-F710 AromaticContact CE1-CE1 3.93Å; F631-F710 HydrophobicContact CE1-CE1 3.93Å; F631-F710 HydrophobicContact CE1-CG 4.36Å; F631-F710 AromaticContact CE2-CD1 3.65Å; F631-F710 HydrophobicContact CE2-CD1 3.65Å; F631-F710 AromaticContact CE2-CE1 3.48Å; F631-F710 HydrophobicContact CE2-CE1 3.48Å; F631-F710 VanDerWaalsContact CE2-CE1 3.48Å; F631-F710 HydrophobicContact CG-CD1 4.21Å; F631-F710 AromaticContact CG-CE1 3.49Å; F631-F710 HydrophobicContact CG-CE1 3.49Å; F631-F710 VanDerWaalsContact CG-CE1 3.49Å; F631-F710 AromaticContact CG-CZ 3.82Å; F631-F710 HydrophobicContact CG-CZ 3.82Å; F631-F710 AromaticContact CZ-CD1 3.5Å; F631-F710 HydrophobicContact CZ-CD1 3.5Å; F631-F710 AromaticContact CZ-CE1 3.75Å; F631-F710 HydrophobicContact CZ-CE1 3.75Å; F631-F710 HydrophobicContact CZ-CG 4.41Å; L666-F710 HydrophobicContact CD2-CE1 4.43Å; Y672-F710 HydrophobicContact CE2-CE2 4.05Å; Y672-F710 HydrophobicContact CE2-CZ 4.05Å; Y672-F710 AromaticContact CZ-CE2 3.85Å; Y672-F710 VanDerWaalsContact OH-CE2 3.29Å; Y672-F710 WeakPolarHBondContact OH-CE2 3.34Å; Y672-F710 WeakPolarHBondContact OH-CZ 3.38Å; L700-F710 HydrophobicContact CD1-CD2 3.86Å; L700-F710 HydrophobicContact CD1-CE2 3.61Å; L700-F710 HydrophobicContact CD1-CZ 4.21Å; L704-F710 HydrophobicContact CD2-CB 3.64Å; L704-F710 HydrophobicContact CD2-CG 4.34Å; F710-G712 PolarHBondContact O-N 3.22Å; F710-F713 HydrophobicContact CB-CB 4.14Å; F710-F713 HydrophobicContact CB-CD2 4.29Å; F710-F713 HydrophobicContact CB-CG 4.42Å; F710-F713 VanDerWaalsContact O-CB 3.29Å; F710-F713 WeakPolarHBondContact O-CB 3.31Å; F710-F713 PolarHBondContact O-N 2.96Å; F710-I749 HydrophobicContact CB-CD1 4.37Å; F710-I749 HydrophobicContact CD1-CD1 3.51Å; F710-I749 HydrophobicContact CE1-CD1 3.94Å; F710-I749 HydrophobicContact CG-CD1 4.04Å
711	Q	87	Confident	94.1	Very high	35 Å²	35	62.7 Å²	62.7	16%	0.164	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	131.3	-174.5	-178.1	179.8	13.3	0	0	111.7	S405 F406 S407 I709 F713	S405-Q711 VanDerWaalsContact C-OE1 3.3Å; S405-Q711 VanDerWaalsContact CA-OE1 3.3Å; S405-Q711 PolarHBondContact OG-NE2 2.74Å; S405-Q711 PolarHBondContact OG-OE1 3.05Å; F406-Q711 HydrophobicContact CB-CB 3.54Å; F406-Q711 HydrophobicContact CB-CG 3.67Å; F406-Q711 WeakPolarHBondContact CD1-O 3.41Å; F406-Q711 HydrophobicContact CG-CB 4.26Å; F406-Q711 HydrophobicContact CG-CG 4.47Å; F406-Q711 WeakPolarHBondContact CG-O 3.28Å; S407-Q711 VanDerWaalsContact CB-NE2 3.27Å; S407-Q711 PolarHBondContact OG-NE2 3.45Å; I709-Q711 PolarHBondContact O-N 3.17Å; Q711-F713 PolarHBondContact O-N 3.25Å
712	G	88.9	Confident	94.1	Very high	38 Å²	38	61.8 Å²	61.8	39%	0.392	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-12.6	-175.6	0	0	0	0	0	114.8	F710 F751	F710-G712 PolarHBondContact O-N 3.22Å; G712-F751 WeakPolarHBondContact O-CD2 3.34Å
713	F	95.7	Very high	94.3	Very high	25 Å²	25	57.6 Å²	57.6	11%	0.11	28%	0.282	C	S	.	.			trans	-70.2	150.9	170.6	-75.7	-101.5	0	0	0	110.7	I664 L666 L704 F710 Q711 I749 W750 F751	I664-F713 HydrophobicContact CB-CZ 4.47Å; I664-F713 HydrophobicContact CG2-CE1 4.18Å; I664-F713 HydrophobicContact CG2-CZ 4.06Å; L666-F713 HydrophobicContact CB-CE1 3.9Å; L704-F713 HydrophobicContact CD2-CB 4Å; F710-F713 HydrophobicContact CB-CB 4.14Å; F710-F713 HydrophobicContact CB-CD2 4.29Å; F710-F713 HydrophobicContact CB-CG 4.42Å; F710-F713 VanDerWaalsContact O-CB 3.29Å; F710-F713 WeakPolarHBondContact O-CB 3.31Å; F710-F713 PolarHBondContact O-N 2.96Å; Q711-F713 PolarHBondContact O-N 3.25Å; F713-I749 HydrophobicContact CB-CB 4.43Å; F713-I749 HydrophobicContact CB-CD1 4.05Å; F713-I749 HydrophobicContact CB-CG1 4.48Å; F713-I749 HydrophobicContact CD1-CB 4.18Å; F713-I749 HydrophobicContact CD1-CD1 3.75Å; F713-I749 HydrophobicContact CD1-CG1 3.68Å; F713-I749 HydrophobicContact CE1-CD1 4.45Å; F713-I749 HydrophobicContact CE1-CG1 4.33Å; F713-I749 HydrophobicContact CG-CD1 4Å; F713-I749 HydrophobicContact CG-CG1 4.38Å; F713-W750 CarbonylContact C-O 3.39Å; F713-W750 VanDerWaalsContact CA-O 3.25Å; F713-W750 WeakPolarHBondContact CA-O 3.25Å; F713-F751 HydrophobicContact CD1-CB 3.91Å; F713-F751 HydrophobicContact CD2-CB 4.14Å; F713-F751 HydrophobicContact CE1-CB 3.83Å; F713-F751 HydrophobicContact CE2-CB 4.06Å; F713-F751 HydrophobicContact CG-CB 4.07Å; F713-F751 HydrophobicContact CZ-CB 3.91Å
714	R	95.8	Very high	94.4	Very high	114 Å²	114	57 Å²	57	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.5	179.2	-65.6	176	-69.9	-177.6	0.9	109	I749 W750 G752	R714-I749 CarbonylContact O-C 3.54Å; R714-I749 VanDerWaalsContact O-CA 3.25Å; R714-I749 WeakPolarHBondContact O-CA 3.39Å; R714-I749 WeakPolarHBondContact O-CB 3.47Å; R714-W750 HydrophobicContact CB-CD2 4.25Å; R714-W750 HydrophobicContact CB-CE3 4.43Å; R714-W750 HydrophobicContact CB-CH2 3.85Å; R714-W750 HydrophobicContact CB-CZ2 3.67Å; R714-W750 HydrophobicContact CB-CZ3 4.26Å; R714-W750 PolarHBondContact N-O 3.27Å; R714-W750 WeakPolarHBondContact O-CZ3 3.49Å; R714-W750 PolarHBondContact O-N 3.29Å; R714-G752 PolarHBondContact NH2-O 3.05Å
715	E	97.8	Very high	94.5	Very high	41 Å²	41	57.7 Å²	57.7	19%	0.192	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.4	173.3	-167.6	170.4	-138.2	0	0	109.5	L704 R747 I749 W750 Y760	L704-E715 HydrophobicContact CD1-CB 4.1Å; E715-R747 IonicContact OE1-CZ 3.12Å; E715-R747 IonicContact OE1-NE 3.42Å; E715-R747 PolarHBondContact OE1-NE 3.15Å; E715-R747 IonicContact OE1-NH2 3Å; E715-R747 PolarHBondContact OE1-NH2 2.61Å; E715-R747 IonicContact OE2-CZ 2.99Å; E715-R747 IonicContact OE2-NE 3.92Å; E715-R747 IonicContact OE2-NH2 3.48Å; E715-R747 PolarHBondContact OE2-NH2 3.1Å; E715-I749 HydrophobicContact CB-CG2 3.98Å; E715-I749 HydrophobicContact CG-CG2 4.13Å; E715-W750 VanDerWaalsContact C-CZ3 3.46Å; E715-Y760 HydrophobicContact CG-CE1 3.99Å; E715-Y760 PolarHBondContact OE1-OH 2.76Å
716	H	97.5	Very high	94.7	Very high	57 Å²	57	51.9 Å²	51.9	26%	0.264	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-78.4	153.8	177.4	-164.2	36.9	0	0	0	109.1	I718 W750 P757 Y760	H716-I718 PolarHBondContact O-N 3.39Å; H716-I718 VanDerWaalsContact O-N 3.08Å; H716-W750 HydrophobicContact CB-CH2 4.39Å; H716-W750 HydrophobicContact CB-CZ3 4.16Å; H716-W750 VanDerWaalsContact N-CZ3 3.31Å; H716-P757 HydrophobicContact CB-CB 3.87Å; H716-P757 HydrophobicContact CB-CG 4.2Å; H716-P757 WeakPolarHBondContact ND1-CG 3.37Å; H716-Y760 HydrophobicContact CB-CD1 3.93Å; H716-Y760 HydrophobicContact CB-CG 4.19Å; H716-Y760 WeakPolarHBondContact O-CD1 3.35Å
717	K	97.3	Very high	94.9	Very high	147 Å²	147	51.2 Å²	51.2	64%	0.639	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-59	120.1	-176.8	-177.5	-179.3	178.3	-178.2	0	109.8	T719	K717-T719 HydrophobicContact CD-CG2 4.43Å; K717-T719 HydrophobicContact CG-CG2 4.26Å; K717-T719 PolarHBondContact O-N 2.97Å
718	I	98.3	Very high	95.4	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.051	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74.3	121.4	175.6	-67.4	170.5	0	0	0	109.3	L695 H716 F720 Y744 Y760	L695-I718 HydrophobicContact CD1-CB 3.87Å; L695-I718 HydrophobicContact CD1-CG2 4.26Å; L695-I718 HydrophobicContact CD2-CB 4.45Å; L695-I718 HydrophobicContact CD2-CD1 3.85Å; H716-I718 PolarHBondContact O-N 3.39Å; H716-I718 VanDerWaalsContact O-N 3.08Å; I718-F720 HydrophobicContact CG1-CE1 4.41Å; I718-F720 HydrophobicContact CG1-CZ 4.15Å; I718-F720 HydrophobicContact CG2-CD1 4.29Å; I718-F720 HydrophobicContact CG2-CD2 4.1Å; I718-F720 HydrophobicContact CG2-CE1 4.18Å; I718-F720 HydrophobicContact CG2-CE2 3.99Å; I718-F720 HydrophobicContact CG2-CG 4.25Å; I718-F720 HydrophobicContact CG2-CZ 4.03Å; I718-Y744 HydrophobicContact CD1-CD1 4.4Å; I718-Y744 HydrophobicContact CG2-CD1 4.06Å; I718-Y744 HydrophobicContact CG2-CE1 3.46Å; I718-Y744 VanDerWaalsContact CG2-CE1 3.46Å; I718-Y760 HydrophobicContact CD1-CE1 4.36Å; I718-Y760 HydrophobicContact CG1-CD1 4.07Å; I718-Y760 HydrophobicContact CG1-CE1 3.63Å
719	T	97.2	Very high	95.7	Very high	92 Å²	92	42.8 Å²	42.8	56%	0.564	22%	0.217	S	C	*	.			trans	-122.3	15.4	178.3	59.5	0	0	0	0	112.8	Y691 K717	Y691-T719 WeakPolarHBondContact CE2-O 3.27Å; K717-T719 HydrophobicContact CD-CG2 4.43Å; K717-T719 HydrophobicContact CG-CG2 4.26Å; K717-T719 PolarHBondContact O-N 2.97Å
720	F	98.2	Very high	95.8	Very high	10 Å²	10	44 Å²	44	4%	0.044	23%	0.226	C	C	.	.	S	Bend	trans	-121.1	159.4	-178.9	53.1	-99.3	0	0	0	110.7	I718 T723 Y744 Y760 S762 I774	I718-F720 HydrophobicContact CG1-CE1 4.41Å; I718-F720 HydrophobicContact CG1-CZ 4.15Å; I718-F720 HydrophobicContact CG2-CD1 4.29Å; I718-F720 HydrophobicContact CG2-CD2 4.1Å; I718-F720 HydrophobicContact CG2-CE1 4.18Å; I718-F720 HydrophobicContact CG2-CE2 3.99Å; I718-F720 HydrophobicContact CG2-CG 4.25Å; I718-F720 HydrophobicContact CG2-CZ 4.03Å; F720-T723 HydrophobicContact CD2-CG2 4.33Å; F720-T723 HydrophobicContact CE2-CG2 4.14Å; F720-Y744 HydrophobicContact CD2-CD1 4.35Å; F720-Y744 AromaticContact CD2-CE1 3.93Å; F720-Y744 HydrophobicContact CD2-CE1 3.93Å; F720-Y744 AromaticContact CE2-CD1 3.95Å; F720-Y744 HydrophobicContact CE2-CD1 3.95Å; F720-Y744 AromaticContact CE2-CE1 3.96Å; F720-Y744 HydrophobicContact CE2-CE1 3.96Å; F720-Y744 WeakPolarHBondContact O-CE1 3.14Å; F720-Y744 PolarHBondContact O-OH 3.43Å; F720-Y760 AromaticContact CE1-CD1 3.86Å; F720-Y760 HydrophobicContact CE1-CD1 3.86Å; F720-Y760 HydrophobicContact CE1-CD2 4.16Å; F720-Y760 HydrophobicContact CE1-CE1 4.05Å; F720-Y760 HydrophobicContact CE1-CE2 4.28Å; F720-Y760 AromaticContact CE1-CG 3.92Å; F720-Y760 HydrophobicContact CE1-CG 3.92Å; F720-Y760 HydrophobicContact CZ-CD1 4.27Å; F720-Y760 AromaticContact CZ-CE1 3.97Å; F720-Y760 HydrophobicContact CZ-CE1 3.97Å; F720-Y760 HydrophobicContact CZ-CE2 4.19Å; F720-Y760 AromaticContact CZ-CZ 3.9Å; F720-S762 WeakPolarHBondContact CB-OG 3.29Å; F720-I774 HydrophobicContact CE2-CG2 4.07Å; F720-I774 HydrophobicContact CZ-CG2 4.18Å
721	P	98.1	Very high	95.9	Very high	35 Å²	35	49.6 Å²	49.6	23%	0.227	25%	0.252	C	S	.	.			trans	-74	163.6	178.9	32.3	-37.4	0	0	0	112.3	V686 Y691 T723 Y744	V686-P721 HydrophobicContact CG1-CB 3.84Å; Y691-P721 HydrophobicContact CE1-CB 3.9Å; P721-T723 PolarHBondContact O-N 2.91Å; P721-Y744 VanDerWaalsContact C-CE1 3.42Å; P721-Y744 WeakPolarHBondContact O-CE1 3.25Å
722	P	98.6	Very high	96.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.269	C	S	.	.			trans	-50.1	138.2	175.8	-28.3	35.4	0	0	0	113.4	V686 L694 Y733 P742 A743 Y744	V686-P722 HydrophobicContact CG2-CG 3.92Å; L694-P722 HydrophobicContact CD1-CG 4.38Å; P722-Y733 HydrophobicContact CB-CE1 4.38Å; P722-Y733 WeakPolarHBondContact CD-OH 3.4Å; P722-Y733 WeakPolarHBondContact O-CE1 3.37Å; P722-Y733 PolarHBondContact O-OH 2.94Å; P722-P742 HydrophobicContact CB-CB 3.81Å; P722-P742 HydrophobicContact CG-CB 4.08Å; P722-A743 WeakPolarHBondContact CB-O 3.41Å; P722-Y744 HydrophobicContact CG-CD2 4.27Å; P722-Y744 HydrophobicContact CG-CE1 4.34Å; P722-Y744 HydrophobicContact CG-CE2 3.79Å
723	T	98.7	Very high	96.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	26%	0.255	C	S	.	.			trans	-93.2	-5.6	-172.6	55.4	0	0	0	0	113.7	F720 P721 F726 A743 D746 H771 K772 I774	F720-T723 HydrophobicContact CD2-CG2 4.33Å; F720-T723 HydrophobicContact CE2-CG2 4.14Å; P721-T723 PolarHBondContact O-N 2.91Å; T723-F726 WeakPolarHBondContact O-CD2 3.19Å; T723-F726 WeakPolarHBondContact O-CE2 3.47Å; T723-A743 PolarHBondContact N-O 2.95Å; T723-A743 VanDerWaalsContact N-O 3.17Å; T723-D746 VanDerWaalsContact CB-OD2 3.3Å; T723-D746 WeakPolarHBondContact CB-OD2 3.48Å; T723-D746 PolarHBondContact OG1-OD2 3.35Å; T723-H771 CarbonylContact O-C 3.52Å; T723-H771 VanDerWaalsContact O-CA 3.27Å; T723-H771 WeakPolarHBondContact O-CA 3.21Å; T723-K772 HydrophobicContact CG2-CB 4.31Å; T723-K772 PolarHBondContact O-N 3.41Å; T723-I774 HydrophobicContact CG2-CG2 3.6Å
724	Y	98.6	Very high	96.9	Very high	15 Å²	15	50.2 Å²	50.2	6%	0.059	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-136.9	152.1	179.4	176.2	-104.7	0	0	0	110.2	R740 P742 A743 C745 H771	Y724-R740 WeakPolarHBondContact OH-CD 3.06Å; Y724-R740 PolarHBondContact OH-NH1 3.05Å; Y724-P742 CarbonylContact O-C 3.59Å; Y724-P742 WeakPolarHBondContact O-CA 3.41Å; Y724-A743 HydrophobicContact CD1-CB 4.36Å; Y724-A743 PolarHBondContact N-O 3.2Å; Y724-A743 VanDerWaalsContact N-O 3.13Å; Y724-A743 PolarHBondContact O-N 2.88Å; Y724-C745 WeakPolarHBondContact CD1-SG 3.25Å; Y724-C745 HydrophobicContact CG-CB 4.48Å; Y724-H771 AromaticContact CD2-CD2 3.49Å; Y724-H771 VanDerWaalsContact CD2-CD2 3.49Å; Y724-H771 WeakPolarHBondContact CD2-CD2 3.41Å; Y724-H771 AromaticContact CD2-CE1 3.45Å; Y724-H771 VanDerWaalsContact CD2-CE1 3.45Å; Y724-H771 WeakPolarHBondContact CD2-CE1 3.47Å; Y724-H771 AromaticContact CD2-NE2 3.04Å; Y724-H771 WeakPolarHBondContact CD2-NE2 3.38Å; Y724-H771 AromaticContact CE2-CD2 3.98Å; Y724-H771 AromaticContact CE2-NE2 3.36Å; Y724-H771 WeakPolarHBondContact CE2-NE2 3.26Å; Y724-H771 AromaticContact CG-CE1 3.93Å; Y724-H771 AromaticContact CG-NE2 3.96Å
725	K	97.7	Very high	96.9	Very high	40 Å²	40	48.9 Å²	48.9	17%	0.174	26%	0.258	C	S	.	.			cis	-105.4	136.2	-13.8	-174.5	179.4	171.7	-128.3	0	108.9	Y733 D734 R740 D770	K725-Y733 CarbonylContact O-C 3.47Å; K725-Y733 VanDerWaalsContact O-CA 3.29Å; K725-Y733 WeakPolarHBondContact O-CA 3.19Å; K725-Y733 WeakPolarHBondContact O-CD1 3.32Å; K725-D734 HydrophobicContact CB-CB 4.07Å; K725-D734 HydrophobicContact CD-CB 4.24Å; K725-D734 HydrophobicContact CG-CB 4.22Å; K725-D734 IonicContact NZ-OD1 3.65Å; K725-D734 PolarHBondContact NZ-OD1 2.77Å; K725-D734 PolarHBondContact O-N 3.21Å; K725-R740 HydrophobicContact CB-CB 4.44Å; K725-D770 WeakPolarHBondContact CE-OD2 3.18Å; K725-D770 HydrophobicContact CG-CB 3.88Å
726	F	98.1	Very high	96.8	Very high	12 Å²	12	49 Å²	49	5%	0.053	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-104.8	153.5	176.5	-67.8	-94	0	0	0	111.9	T723 Q731 T732 Y733 D770 K772	T723-F726 WeakPolarHBondContact O-CD2 3.19Å; T723-F726 WeakPolarHBondContact O-CE2 3.47Å; F726-Q731 WeakPolarHBondContact CD1-O 3.43Å; F726-Q731 WeakPolarHBondContact CE1-O 3.49Å; F726-T732 CarbonylContact C-O 3.54Å; F726-T732 WeakPolarHBondContact CA-O 3.16Å; F726-T732 WeakPolarHBondContact CD1-O 3.26Å; F726-Y733 HydrophobicContact CD1-CD1 4.16Å; F726-Y733 HydrophobicContact CD1-CE1 4.37Å; F726-Y733 HydrophobicContact CD2-CD1 4.34Å; F726-Y733 HydrophobicContact CD2-CE1 4.25Å; F726-Y733 AromaticContact CE1-CD1 3.86Å; F726-Y733 HydrophobicContact CE1-CD1 3.86Å; F726-Y733 AromaticContact CE1-CE1 3.67Å; F726-Y733 HydrophobicContact CE1-CE1 3.67Å; F726-Y733 HydrophobicContact CE1-CE2 4.44Å; F726-Y733 HydrophobicContact CE1-CG 4.33Å; F726-Y733 AromaticContact CE1-CZ 3.98Å; F726-Y733 HydrophobicContact CE2-CD1 4.03Å; F726-Y733 AromaticContact CE2-CE1 3.51Å; F726-Y733 HydrophobicContact CE2-CE1 3.51Å; F726-Y733 HydrophobicContact CG-CD1 4.41Å; F726-Y733 AromaticContact CZ-CD1 3.8Å; F726-Y733 HydrophobicContact CZ-CD1 3.8Å; F726-Y733 AromaticContact CZ-CE1 3.19Å; F726-Y733 HydrophobicContact CZ-CE1 3.19Å; F726-Y733 HydrophobicContact CZ-CE2 4.44Å; F726-Y733 AromaticContact CZ-CZ 3.57Å; F726-D770 PolarHBondContact N-O 3.44Å; F726-D770 WeakPolarHBondContact O-CA 3.17Å; F726-D770 WeakPolarHBondContact O-CB 2.8Å; F726-K772 HydrophobicContact CD2-CD 4.25Å; F726-K772 HydrophobicContact CD2-CG 3.95Å; F726-K772 HydrophobicContact CE2-CD 4.23Å; F726-K772 HydrophobicContact CE2-CG 3.53Å; F726-K772 HydrophobicContact CZ-CG 3.94Å
727	D	97.3	Very high	96.7	Very high	34 Å²	34	55.9 Å²	55.9	18%	0.182	30%	0.296	C	S	.	.			trans	-71.8	138.8	161.7	-52.7	-51.8	0	0	0	108.7	C730 T732 D734 S735	D727-C730 PolarHBondContact O-N 2.65Å; D727-C730 PolarHBondContact O-SG 3.3Å; D727-T732 PolarHBondContact N-O 2.98Å; D727-D734 WeakPolarHBondContact OD1-CA 3.17Å; D727-S735 PolarHBondContact OD1-N 3.09Å; D727-S735 VanDerWaalsContact OD2-CB 3.26Å; D727-S735 WeakPolarHBondContact OD2-CB 3.45Å; D727-S735 PolarHBondContact OD2-N 2.93Å; D727-S735 VanDerWaalsContact OD2-N 3.09Å; D727-S735 PolarHBondContact OD2-OG 3.04Å; D727-S735 VanDerWaalsContact OD2-OG 3.08Å
728	I	94.5	Very high	96.6	Very high	64 Å²	64	56.2 Å²	56.2	33%	0.328	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	141.7	-174.9	-57.6	-177.9	0	0	0	109.8	C730 C768 D770	I728-C730 PolarHBondContact O-N 3.15Å; I728-C768 WeakPolarHBondContact CG2-O 3.24Å; I728-D770 HydrophobicContact CG1-CB 4.41Å
729	N	93.9	Very high	96.5	Very high	113 Å²	113	60.3 Å²	60.3	60%	0.604	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	22.6	-176.2	-54.7	-37.5	0	0	0	114.2	I767	N729-I767 VanDerWaalsContact CA-O 3.26Å; N729-I767 WeakPolarHBondContact CA-O 3.34Å; N729-I767 PolarHBondContact N-O 3.01Å
730	C	91.5	Very high	96.4	Very high	35 Å²	35	59.7 Å²	59.7	24%	0.236	30%	0.3	C	S	.	.	S	Bend	trans	-146.1	178.1	171.7	85.5	0	0	0	0	113.8	D727 I728 T732 K772	D727-C730 PolarHBondContact O-N 2.65Å; D727-C730 PolarHBondContact O-SG 3.3Å; I728-C730 PolarHBondContact O-N 3.15Å; C730-T732 WeakPolarHBondContact SG-CB 3.38Å; C730-T732 PolarHBondContact SG-N 2.83Å; C730-K772 PolarHBondContact O-NZ 2.91Å; C730-K772 VanDerWaalsContact O-NZ 3.15Å
731	Q	94.1	Very high	96.4	Very high	122 Å²	122	60.7 Å²	60.7	57%	0.57	31%	0.305	S	S	*	.	S	Bend	trans	-102.5	6.9	173.7	-61.6	-167	29.5	0	0	112.9	F726 I767	F726-Q731 WeakPolarHBondContact CD1-O 3.43Å; F726-Q731 WeakPolarHBondContact CE1-O 3.49Å; Q731-I767 HydrophobicContact CG-CG2 4.21Å
732	T	96.6	Very high	96.4	Very high	84 Å²	84	59 Å²	59	52%	0.515	30%	0.295	S	S	.	.	S	Bend	trans	-81.3	132.4	176.8	-51.6	0	0	0	0	109.4	F726 D727 C730	F726-T732 CarbonylContact C-O 3.54Å; F726-T732 WeakPolarHBondContact CA-O 3.16Å; F726-T732 WeakPolarHBondContact CD1-O 3.26Å; D727-T732 PolarHBondContact N-O 2.98Å; C730-T732 WeakPolarHBondContact SG-CB 3.38Å; C730-T732 PolarHBondContact SG-N 2.83Å
733	Y	98	Very high	96.4	Very high	28 Å²	28	59 Å²	59	11%	0.11	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-66.2	148.3	169.6	-72.1	-68	0	0	0	110.8	R683 V686 P722 K725 F726 S735 P742	R683-Y733 HydrophobicContact CG-CD2 4.45Å; V686-Y733 HydrophobicContact CG1-CE2 3.96Å; P722-Y733 HydrophobicContact CB-CE1 4.38Å; P722-Y733 WeakPolarHBondContact CD-OH 3.4Å; P722-Y733 WeakPolarHBondContact O-CE1 3.37Å; P722-Y733 PolarHBondContact O-OH 2.94Å; K725-Y733 CarbonylContact O-C 3.47Å; K725-Y733 VanDerWaalsContact O-CA 3.29Å; K725-Y733 WeakPolarHBondContact O-CA 3.19Å; K725-Y733 WeakPolarHBondContact O-CD1 3.32Å; F726-Y733 HydrophobicContact CD1-CD1 4.16Å; F726-Y733 HydrophobicContact CD1-CE1 4.37Å; F726-Y733 HydrophobicContact CD2-CD1 4.34Å; F726-Y733 HydrophobicContact CD2-CE1 4.25Å; F726-Y733 AromaticContact CE1-CD1 3.86Å; F726-Y733 HydrophobicContact CE1-CD1 3.86Å; F726-Y733 AromaticContact CE1-CE1 3.67Å; F726-Y733 HydrophobicContact CE1-CE1 3.67Å; F726-Y733 HydrophobicContact CE1-CE2 4.44Å; F726-Y733 HydrophobicContact CE1-CG 4.33Å; F726-Y733 AromaticContact CE1-CZ 3.98Å; F726-Y733 HydrophobicContact CE2-CD1 4.03Å; F726-Y733 AromaticContact CE2-CE1 3.51Å; F726-Y733 HydrophobicContact CE2-CE1 3.51Å; F726-Y733 HydrophobicContact CG-CD1 4.41Å; F726-Y733 AromaticContact CZ-CD1 3.8Å; F726-Y733 HydrophobicContact CZ-CD1 3.8Å; F726-Y733 AromaticContact CZ-CE1 3.19Å; F726-Y733 HydrophobicContact CZ-CE1 3.19Å; F726-Y733 HydrophobicContact CZ-CE2 4.44Å; F726-Y733 AromaticContact CZ-CZ 3.57Å; Y733-S735 PolarHBondContact O-N 3.48Å; Y733-S735 VanDerWaalsContact O-N 3.1Å; Y733-P742 HydrophobicContact CD1-CB 3.82Å; Y733-P742 HydrophobicContact CD1-CG 3.72Å; Y733-P742 HydrophobicContact CD2-CG 3.96Å; Y733-P742 HydrophobicContact CE1-CB 3.67Å; Y733-P742 HydrophobicContact CE1-CG 4.04Å; Y733-P742 HydrophobicContact CE2-CB 4.39Å; Y733-P742 HydrophobicContact CE2-CG 4.26Å; Y733-P742 HydrophobicContact CG-CB 4.25Å; Y733-P742 HydrophobicContact CG-CG 3.68Å
734	D	97.1	Very high	96.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.294	C	S	.	.			trans	-27.8	105.3	-176.1	-170.8	49.6	0	0	0	113	R683 K725 D727 S736 Y739 R740	R683-D734 PolarHBondContact NH2-O 3.46Å; K725-D734 HydrophobicContact CB-CB 4.07Å; K725-D734 HydrophobicContact CD-CB 4.24Å; K725-D734 HydrophobicContact CG-CB 4.22Å; K725-D734 IonicContact NZ-OD1 3.65Å; K725-D734 PolarHBondContact NZ-OD1 2.77Å; K725-D734 PolarHBondContact O-N 3.21Å; D727-D734 WeakPolarHBondContact OD1-CA 3.17Å; D734-S736 VanDerWaalsContact CG-OG 3.22Å; D734-S736 WeakPolarHBondContact OD1-CB 3.23Å; D734-S736 PolarHBondContact OD1-OG 3.08Å; D734-S736 PolarHBondContact OD2-OG 2.91Å; D734-S736 VanDerWaalsContact OD2-OG 3.11Å; D734-Y739 WeakPolarHBondContact O-CD2 3.36Å; D734-Y739 PolarHBondContact OD2-N 2.59Å; D734-R740 HydrophobicContact CB-CB 4.34Å; D734-R740 WeakPolarHBondContact OD2-CB 3.31Å; D734-R740 WeakPolarHBondContact OD2-CG 3.34Å; D734-R740 PolarHBondContact OD2-N 3.33Å
735	S	96	Very high	96.4	Very high	85 Å²	85	58.2 Å²	58.2	59%	0.594	29%	0.292	S	S	*	.			trans	-95.6	4.7	174.3	83.9	0	0	0	0	112.2	D727 Y733	D727-S735 PolarHBondContact OD1-N 3.09Å; D727-S735 VanDerWaalsContact OD2-CB 3.26Å; D727-S735 WeakPolarHBondContact OD2-CB 3.45Å; D727-S735 PolarHBondContact OD2-N 2.93Å; D727-S735 VanDerWaalsContact OD2-N 3.09Å; D727-S735 PolarHBondContact OD2-OG 3.04Å; D727-S735 VanDerWaalsContact OD2-OG 3.08Å; Y733-S735 PolarHBondContact O-N 3.48Å; Y733-S735 VanDerWaalsContact O-N 3.1Å
736	S	96.1	Very high	96.5	Very high	44 Å²	44	56.3 Å²	56.3	31%	0.308	28%	0.283	S	S	.	.	S	Bend	trans	-64.7	165.6	173.1	77.9	0	0	0	0	111.5	D734 K738 Y739	D734-S736 VanDerWaalsContact CG-OG 3.22Å; D734-S736 WeakPolarHBondContact OD1-CB 3.23Å; D734-S736 PolarHBondContact OD1-OG 3.08Å; D734-S736 PolarHBondContact OD2-OG 2.91Å; D734-S736 VanDerWaalsContact OD2-OG 3.11Å; S736-K738 PolarHBondContact O-N 2.79Å; S736-K738 VanDerWaalsContact O-N 3.12Å; S736-Y739 WeakPolarHBondContact O-CA 3.33Å; S736-Y739 PolarHBondContact O-N 2.73Å
737	E	95.3	Very high	96.5	Very high	201 Å²	201	55.8 Å²	55.8	94%	0.939	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.8	177	-172.1	-178.2	-178	0	0	113.1	Y739	E737-Y739 PolarHBondContact O-N 2.88Å
738	K	94.6	Very high	96.6	Very high	155 Å²	155	54.2 Å²	54.2	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21	177.1	-66.7	-178.6	-179	171.7	0	112.8	S736 R740	S736-K738 PolarHBondContact O-N 2.79Å; S736-K738 VanDerWaalsContact O-N 3.12Å; K738-R740 HydrophobicContact CB-CG 4.14Å; K738-R740 PolarHBondContact O-N 3.3Å
739	Y	96	Very high	96.8	Very high	95 Å²	95	51.2 Å²	51.2	37%	0.373	26%	0.257	S	S	.	.			trans	41.1	47.7	174.7	-158.3	-120.2	0	0	0	113.8	S679 D680 R683 D734 S736 E737 I741	S679-Y739 PolarHBondContact OG-O 3.16Å; D680-Y739 PolarHBondContact OD1-OH 3.03Å; R683-Y739 VanDerWaalsContact CZ-CE2 3.41Å; R683-Y739 PolarHBondContact NH1-OH 3.31Å; R683-Y739 VanDerWaalsContact NH1-OH 3.15Å; R683-Y739 VanDerWaalsContact NH2-CD2 3.3Å; D734-Y739 WeakPolarHBondContact O-CD2 3.36Å; D734-Y739 PolarHBondContact OD2-N 2.59Å; S736-Y739 WeakPolarHBondContact O-CA 3.33Å; S736-Y739 PolarHBondContact O-N 2.73Å; E737-Y739 PolarHBondContact O-N 2.88Å; Y739-I741 PolarHBondContact O-N 2.66Å
740	R	96.2	Very high	97	Very high	80 Å²	80	46.3 Å²	46.3	30%	0.302	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-58.4	137.9	-167.3	-70.4	-170	178	-148.9	-4.6	111.1	Y724 K725 D734 K738 P742	Y724-R740 WeakPolarHBondContact OH-CD 3.06Å; Y724-R740 PolarHBondContact OH-NH1 3.05Å; K725-R740 HydrophobicContact CB-CB 4.44Å; D734-R740 HydrophobicContact CB-CB 4.34Å; D734-R740 WeakPolarHBondContact OD2-CB 3.31Å; D734-R740 WeakPolarHBondContact OD2-CG 3.34Å; D734-R740 PolarHBondContact OD2-N 3.33Å; K738-R740 HydrophobicContact CB-CG 4.14Å; K738-R740 PolarHBondContact O-N 3.3Å; R740-P742 WeakPolarHBondContact O-CD 3.08Å
741	I	97.5	Very high	97.1	Very high	30 Å²	30	45 Å²	45	15%	0.154	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-63.7	128.4	175.9	-58.8	171.2	0	0	0	108.4	K621 I674 V682 Y739 A743	K621-I741 HydrophobicContact CD-CD1 4.35Å; I674-I741 HydrophobicContact CB-CG2 4.33Å; V682-I741 HydrophobicContact CB-CG2 4.05Å; V682-I741 HydrophobicContact CG1-CG2 4.19Å; V682-I741 HydrophobicContact CG2-CG2 3.68Å; Y739-I741 PolarHBondContact O-N 2.66Å; I741-A743 PolarHBondContact O-N 3.13Å
742	P	98.3	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-56.6	137.5	173.9	-26.8	34.8	0	0	0	112.6	I674 V682 R683 P722 Y724 Y733 R740	I674-P742 WeakPolarHBondContact CG1-O 3.29Å; V682-P742 HydrophobicContact CG1-CB 3.81Å; V682-P742 HydrophobicContact CG1-CG 3.95Å; R683-P742 HydrophobicContact CG-CG 3.98Å; P722-P742 HydrophobicContact CB-CB 3.81Å; P722-P742 HydrophobicContact CG-CB 4.08Å; Y724-P742 CarbonylContact O-C 3.59Å; Y724-P742 WeakPolarHBondContact O-CA 3.41Å; Y733-P742 HydrophobicContact CD1-CB 3.82Å; Y733-P742 HydrophobicContact CD1-CG 3.72Å; Y733-P742 HydrophobicContact CD2-CG 3.96Å; Y733-P742 HydrophobicContact CE1-CB 3.67Å; Y733-P742 HydrophobicContact CE1-CG 4.04Å; Y733-P742 HydrophobicContact CE2-CB 4.39Å; Y733-P742 HydrophobicContact CE2-CG 4.26Å; Y733-P742 HydrophobicContact CG-CB 4.25Å; Y733-P742 HydrophobicContact CG-CG 3.68Å; R740-P742 WeakPolarHBondContact O-CD 3.08Å
743	A	98.3	Very high	96.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-142.7	154.3	-175.3	0	0	0	0	0	113.7	P722 T723 Y724 I741 C745	P722-A743 WeakPolarHBondContact CB-O 3.41Å; T723-A743 PolarHBondContact N-O 2.95Å; T723-A743 VanDerWaalsContact N-O 3.17Å; Y724-A743 HydrophobicContact CD1-CB 4.36Å; Y724-A743 PolarHBondContact N-O 3.2Å; Y724-A743 VanDerWaalsContact N-O 3.13Å; Y724-A743 PolarHBondContact O-N 2.88Å; I741-A743 PolarHBondContact O-N 3.13Å; A743-C745 VanDerWaalsContact C-N 3.31Å; A743-C745 PolarHBondContact O-N 3.35Å
744	Y	98.6	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.214	C	C	.	.			trans	-89.3	68.4	172.2	-68.5	-76.7	0	0	0	109.6	I674 L695 I718 F720 P721 P722 R747	I674-Y744 HydrophobicContact CD1-CD2 4.22Å; L695-Y744 HydrophobicContact CD2-CD2 3.81Å; L695-Y744 HydrophobicContact CD2-CE2 3.79Å; L695-Y744 HydrophobicContact CG-CE2 4.29Å; I718-Y744 HydrophobicContact CD1-CD1 4.4Å; I718-Y744 HydrophobicContact CG2-CD1 4.06Å; I718-Y744 HydrophobicContact CG2-CE1 3.46Å; I718-Y744 VanDerWaalsContact CG2-CE1 3.46Å; F720-Y744 HydrophobicContact CD2-CD1 4.35Å; F720-Y744 AromaticContact CD2-CE1 3.93Å; F720-Y744 HydrophobicContact CD2-CE1 3.93Å; F720-Y744 AromaticContact CE2-CD1 3.95Å; F720-Y744 HydrophobicContact CE2-CD1 3.95Å; F720-Y744 AromaticContact CE2-CE1 3.96Å; F720-Y744 HydrophobicContact CE2-CE1 3.96Å; F720-Y744 WeakPolarHBondContact O-CE1 3.14Å; F720-Y744 PolarHBondContact O-OH 3.43Å; P721-Y744 VanDerWaalsContact C-CE1 3.42Å; P721-Y744 WeakPolarHBondContact O-CE1 3.25Å; P722-Y744 HydrophobicContact CG-CD2 4.27Å; P722-Y744 HydrophobicContact CG-CE1 4.34Å; P722-Y744 HydrophobicContact CG-CE2 3.79Å; Y744-R747 VanDerWaalsContact CB-NH1 3.32Å; Y744-R747 VanDerWaalsContact O-CD 3.24Å; Y744-R747 WeakPolarHBondContact O-CD 3.5Å; Y744-R747 WeakPolarHBondContact O-CG 3.31Å; Y744-R747 PolarHBondContact O-NH1 2.66Å
745	C	98.8	Very high	96	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.			trans	-71.2	-42.8	-178.3	-68.5	0	0	0	0	111.9	D669 L670 N671 Y724 A743	D669-C745 WeakPolarHBondContact OD1-CB 3.49Å; L670-C745 PolarHBondContact N-O 2.85Å; N671-C745 PolarHBondContact N-O 3Å; Y724-C745 WeakPolarHBondContact CD1-SG 3.25Å; Y724-C745 HydrophobicContact CG-CB 4.48Å; A743-C745 VanDerWaalsContact C-N 3.31Å; A743-C745 PolarHBondContact O-N 3.35Å
746	D	98.9	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.8	-176.4	-44.7	-83.2	0	0	0	109.7	T448 G668 T723 H771 I774	T448-D746 HydrophobicContact CG2-CB 4.37Å; G668-D746 WeakPolarHBondContact O-CA 3.19Å; T723-D746 VanDerWaalsContact CB-OD2 3.3Å; T723-D746 WeakPolarHBondContact CB-OD2 3.48Å; T723-D746 PolarHBondContact OG1-OD2 3.35Å; D746-H771 IonicContact OD1-CE1 3.4Å; D746-H771 IonicContact OD1-ND1 3.43Å; D746-H771 PolarHBondContact OD1-ND1 3.38Å; D746-H771 VanDerWaalsContact OD1-ND1 3.1Å; D746-H771 IonicContact OD2-CE1 3.67Å; D746-H771 IonicContact OD2-CG 2.67Å; D746-H771 IonicContact OD2-ND1 3.57Å; D746-H771 PolarHBondContact OD2-ND1 3.07Å; D746-I774 VanDerWaalsContact C-CD1 3.4Å; D746-I774 HydrophobicContact CB-CD1 4.11Å; D746-I774 HydrophobicContact CB-CG1 4.03Å; D746-I774 HydrophobicContact CB-CG2 4.49Å; D746-I774 VanDerWaalsContact O-CD1 3.22Å; D746-I774 WeakPolarHBondContact O-CD1 3.22Å
747	R	98.9	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157	-169.7	-53.4	-63.4	-85.1	-85.3	1.5	113.5	F667 G668 L670 D698 L700 E715 Y744 Y760	F667-R747 CarbonylContact C-O 3.58Å; F667-R747 WeakPolarHBondContact CA-O 3.43Å; F667-R747 WeakPolarHBondContact CB-O 3.21Å; G668-R747 PolarHBondContact N-O 2.89Å; G668-R747 PolarHBondContact O-N 3.13Å; L670-R747 HydrophobicContact CD1-CB 3.78Å; L670-R747 HydrophobicContact CD1-CG 4.43Å; L670-R747 HydrophobicContact CG-CB 4.06Å; D698-R747 IonicContact OD1-NH1 3.89Å; D698-R747 PolarHBondContact OD1-NH1 3.28Å; D698-R747 VanDerWaalsContact OD1-NH1 3.12Å; D698-R747 IonicContact OD2-CZ 3.1Å; D698-R747 IonicContact OD2-NH1 3.28Å; D698-R747 PolarHBondContact OD2-NH1 3.3Å; D698-R747 IonicContact OD2-NH2 3.84Å; D698-R747 PolarHBondContact OD2-NH2 3.4Å; L700-R747 HydrophobicContact CD2-CB 3.93Å; L700-R747 HydrophobicContact CD2-CG 3.71Å; E715-R747 IonicContact OE1-CZ 3.12Å; E715-R747 IonicContact OE1-NE 3.42Å; E715-R747 PolarHBondContact OE1-NE 3.15Å; E715-R747 IonicContact OE1-NH2 3Å; E715-R747 PolarHBondContact OE1-NH2 2.61Å; E715-R747 IonicContact OE2-CZ 2.99Å; E715-R747 IonicContact OE2-NE 3.92Å; E715-R747 IonicContact OE2-NH2 3.48Å; E715-R747 PolarHBondContact OE2-NH2 3.1Å; Y744-R747 VanDerWaalsContact CB-NH1 3.32Å; Y744-R747 VanDerWaalsContact O-CD 3.24Å; Y744-R747 WeakPolarHBondContact O-CD 3.5Å; Y744-R747 WeakPolarHBondContact O-CG 3.31Å; Y744-R747 PolarHBondContact O-NH1 2.66Å; R747-Y760 WeakPolarHBondContact CA-OH 3.48Å
748	I	98.8	Very high	96.2	Very high	2 Å²	2	37 Å²	37	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	112.4	172.8	-58.1	167.1	0	0	0	108	I446 F667 Y760 I774 F778	I446-I748 HydrophobicContact CB-CD1 4.12Å; I446-I748 HydrophobicContact CB-CG2 4.47Å; I446-I748 HydrophobicContact CD1-CG2 4.36Å; I446-I748 HydrophobicContact CG2-CD1 3.98Å; I446-I748 HydrophobicContact CG2-CG1 4.19Å; I446-I748 HydrophobicContact CG2-CG2 4.26Å; I446-I748 WeakPolarHBondContact O-CD1 3.48Å; F667-I748 HydrophobicContact CB-CB 4.21Å; F667-I748 HydrophobicContact CB-CG1 3.82Å; F667-I748 HydrophobicContact CB-CG2 4.25Å; I748-Y760 HydrophobicContact CB-CE2 3.98Å; I748-Y760 HydrophobicContact CD1-CD2 4.36Å; I748-Y760 HydrophobicContact CD1-CE2 3.86Å; I748-Y760 HydrophobicContact CG1-CE2 4.06Å; I748-Y760 PolarHBondContact N-OH 2.79Å; I748-I774 HydrophobicContact CD1-CD1 4.13Å; I748-I774 HydrophobicContact CG1-CD1 3.88Å; I748-F778 HydrophobicContact CG2-CE2 4.02Å; I748-F778 HydrophobicContact CG2-CZ 3.8Å
749	I	98.5	Very high	96.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.6	174.5	64.7	172.9	0	0	0	109.8	L666 L700 L704 F710 F713 R714 E715	L666-I749 HydrophobicContact CB-CD1 4.4Å; L666-I749 HydrophobicContact CB-CG1 3.91Å; L666-I749 HydrophobicContact CD2-CD1 3.95Å; L666-I749 HydrophobicContact CD2-CG1 3.94Å; L666-I749 PolarHBondContact N-O 3.19Å; L666-I749 WeakPolarHBondContact O-CG1 3.36Å; L666-I749 PolarHBondContact O-N 3.23Å; L700-I749 HydrophobicContact CD2-CG2 4.37Å; L704-I749 HydrophobicContact CD1-CG2 4.2Å; L704-I749 HydrophobicContact CD2-CD1 4.48Å; F710-I749 HydrophobicContact CB-CD1 4.37Å; F710-I749 HydrophobicContact CD1-CD1 3.51Å; F710-I749 HydrophobicContact CE1-CD1 3.94Å; F710-I749 HydrophobicContact CG-CD1 4.04Å; F713-I749 HydrophobicContact CB-CB 4.43Å; F713-I749 HydrophobicContact CB-CD1 4.05Å; F713-I749 HydrophobicContact CB-CG1 4.48Å; F713-I749 HydrophobicContact CD1-CB 4.18Å; F713-I749 HydrophobicContact CD1-CD1 3.75Å; F713-I749 HydrophobicContact CD1-CG1 3.68Å; F713-I749 HydrophobicContact CE1-CD1 4.45Å; F713-I749 HydrophobicContact CE1-CG1 4.33Å; F713-I749 HydrophobicContact CG-CD1 4Å; F713-I749 HydrophobicContact CG-CG1 4.38Å; R714-I749 CarbonylContact O-C 3.54Å; R714-I749 VanDerWaalsContact O-CA 3.25Å; R714-I749 WeakPolarHBondContact O-CA 3.39Å; R714-I749 WeakPolarHBondContact O-CB 3.47Å; E715-I749 HydrophobicContact CB-CG2 3.98Å; E715-I749 HydrophobicContact CG-CG2 4.13Å
750	W	98	Very high	96.5	Very high	11 Å²	11	26.1 Å²	26.1	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.1	179.4	79.3	98.9	0	0	0	112.9	I664 F665 F713 R714 E715 H716 C755 P757 F778	I664-W750 CarbonylContact O-C 3.56Å; I664-W750 WeakPolarHBondContact O-CA 3.3Å; I664-W750 WeakPolarHBondContact O-CB 3.43Å; F665-W750 HydrophobicContact CD1-CB 3.46Å; F665-W750 VanDerWaalsContact CD1-CB 3.46Å; F665-W750 HydrophobicContact CD1-CG 4.48Å; F665-W750 HydrophobicContact CE1-CB 3.64Å; F665-W750 HydrophobicContact CE1-CG 4.22Å; F665-W750 HydrophobicContact CG-CB 4.23Å; F713-W750 CarbonylContact C-O 3.39Å; F713-W750 VanDerWaalsContact CA-O 3.25Å; F713-W750 WeakPolarHBondContact CA-O 3.25Å; R714-W750 HydrophobicContact CB-CD2 4.25Å; R714-W750 HydrophobicContact CB-CE3 4.43Å; R714-W750 HydrophobicContact CB-CH2 3.85Å; R714-W750 HydrophobicContact CB-CZ2 3.67Å; R714-W750 HydrophobicContact CB-CZ3 4.26Å; R714-W750 PolarHBondContact N-O 3.27Å; R714-W750 WeakPolarHBondContact O-CZ3 3.49Å; R714-W750 PolarHBondContact O-N 3.29Å; E715-W750 VanDerWaalsContact C-CZ3 3.46Å; H716-W750 HydrophobicContact CB-CH2 4.39Å; H716-W750 HydrophobicContact CB-CZ3 4.16Å; H716-W750 VanDerWaalsContact N-CZ3 3.31Å; W750-C755 VanDerWaalsContact CD1-SG 3.54Å; W750-P757 HydrophobicContact CH2-CB 4.24Å; W750-P757 HydrophobicContact CH2-CG 3.67Å; W750-P757 HydrophobicContact CZ2-CG 3.96Å; W750-P757 HydrophobicContact CZ3-CG 4.4Å; W750-F778 HydrophobicContact CD2-CE1 4.12Å; W750-F778 AromaticContact CE3-CE1 3.71Å; W750-F778 HydrophobicContact CE3-CE1 3.71Å; W750-F778 HydrophobicContact CE3-CZ 4.33Å; W750-F778 HydrophobicContact CZ3-CE1 4.01Å
751	F	95.5	Very high	96.6	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.1	174.8	172.1	-87.9	0	0	0	109.5	F406 V663 I664 G712 F713	F406-F751 AromaticContact CD1-CE2 4Å; F406-F751 HydrophobicContact CD1-CE2 4Å; F406-F751 HydrophobicContact CD1-CZ 4.44Å; F406-F751 AromaticContact CE1-CD2 3.91Å; F406-F751 HydrophobicContact CE1-CD2 3.91Å; F406-F751 HydrophobicContact CE1-CE1 4.22Å; F406-F751 AromaticContact CE1-CE2 2.97Å; F406-F751 HydrophobicContact CE1-CE2 2.97Å; F406-F751 AromaticContact CE1-CZ 3.15Å; F406-F751 HydrophobicContact CE1-CZ 3.15Å; F406-F751 HydrophobicContact CE2-CE2 4.3Å; F406-F751 HydrophobicContact CE2-CZ 4.4Å; F406-F751 HydrophobicContact CZ-CD1 4.3Å; F406-F751 AromaticContact CZ-CD2 3.77Å; F406-F751 HydrophobicContact CZ-CD2 3.77Å; F406-F751 AromaticContact CZ-CE1 3.75Å; F406-F751 HydrophobicContact CZ-CE1 3.75Å; F406-F751 AromaticContact CZ-CE2 3.16Å; F406-F751 HydrophobicContact CZ-CE2 3.16Å; F406-F751 HydrophobicContact CZ-CG 4.28Å; F406-F751 AromaticContact CZ-CZ 3.1Å; F406-F751 HydrophobicContact CZ-CZ 3.1Å; V663-F751 WeakPolarHBondContact CA-O 3.43Å; I664-F751 HydrophobicContact CB-CB 4.21Å; I664-F751 HydrophobicContact CD1-CB 4.43Å; I664-F751 HydrophobicContact CD1-CD1 3.63Å; I664-F751 HydrophobicContact CD1-CE1 4.29Å; I664-F751 HydrophobicContact CD1-CG 4.3Å; I664-F751 HydrophobicContact CG1-CD1 4.18Å; I664-F751 PolarHBondContact N-O 2.74Å; I664-F751 PolarHBondContact O-N 3.04Å; G712-F751 WeakPolarHBondContact O-CD2 3.34Å; F713-F751 HydrophobicContact CD1-CB 3.91Å; F713-F751 HydrophobicContact CD2-CB 4.14Å; F713-F751 HydrophobicContact CE1-CB 3.83Å; F713-F751 HydrophobicContact CE2-CB 4.06Å; F713-F751 HydrophobicContact CG-CB 4.07Å; F713-F751 HydrophobicContact CZ-CB 3.91Å
752	G	90.7	Very high	96.6	Very high	6 Å²	6	25 Å²	25	6%	0.062	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	113.1	159.2	179.2	0	0	0	0	0	113.1	D662 R714	D662-G752 WeakPolarHBondContact O-CA 3.14Å; R714-G752 PolarHBondContact NH2-O 3.05Å
753	R	87.6	Confident	96.6	Very high	203 Å²	203	25.8 Å²	25.8	77%	0.766	13%	0.13	S	C	*	.	S	Bend	trans	-84.7	169.1	175.7	-66.2	-177	-179.2	171.7	1.7	110.1	C755	R753-C755 PolarHBondContact O-N 3.34Å; R753-C755 VanDerWaalsContact O-N 3.11Å
754	G	89.1	Confident	96.5	Very high	23 Å²	23	28.2 Å²	28.2	24%	0.237	15%	0.145	C	C	.	.	S	Bend	trans	70.1	6.6	174.5	0	0	0	0	0	116.1	V780 E781	G754-V780 WeakPolarHBondContact O-CA 3.46Å; G754-E781 WeakPolarHBondContact CA-OE2 3.42Å; G754-E781 PolarHBondContact O-N 2.66Å
755	C	94.4	Very high	96.3	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116	176.4	-176.9	0	0	0	0	110.7	V663 F665 W750 R753 F778	V663-C755 HydrophobicContact CG1-CB 4.41Å; F665-C755 VanDerWaalsContact CZ-SG 3.56Å; W750-C755 VanDerWaalsContact CD1-SG 3.54Å; R753-C755 PolarHBondContact O-N 3.34Å; R753-C755 VanDerWaalsContact O-N 3.11Å; C755-F778 VanDerWaalsContact SG-CD1 3.55Å
756	T	96.5	Very high	96.2	Very high	62 Å²	62	33.9 Å²	33.9	38%	0.38	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	109.2	178.7	-53.9	0	0	0	0	109.7	I758 F778 L779	T756-I758 HydrophobicContact CG2-CD1 4.13Å; T756-I758 PolarHBondContact O-N 3.43Å; T756-F778 CarbonylContact O-C 3.58Å; T756-F778 WeakPolarHBondContact O-CA 3.27Å; T756-L779 PolarHBondContact N-O 3.49Å; T756-L779 PolarHBondContact O-N 3.04Å
757	P	97.3	Very high	96	Very high	27 Å²	27	36.9 Å²	36.9	18%	0.175	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.2	172.2	30.5	-35.6	0	0	0	110.4	H716 W750 F778	H716-P757 HydrophobicContact CB-CB 3.87Å; H716-P757 HydrophobicContact CB-CG 4.2Å; H716-P757 WeakPolarHBondContact ND1-CG 3.37Å; W750-P757 HydrophobicContact CH2-CB 4.24Å; W750-P757 HydrophobicContact CH2-CG 3.67Å; W750-P757 HydrophobicContact CZ2-CG 3.96Å; W750-P757 HydrophobicContact CZ3-CG 4.4Å; P757-F778 HydrophobicContact CB-CD1 3.8Å; P757-F778 HydrophobicContact CB-CE1 3.72Å
758	I	97.9	Very high	95.8	Very high	64 Å²	64	37.9 Å²	37.9	33%	0.328	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-40.7	178.5	-57.3	-58.1	0	0	0	111.1	Q471 T756 Y777 L779	Q471-I758 HydrophobicContact CG-CG2 4.01Å; T756-I758 HydrophobicContact CG2-CD1 4.13Å; T756-I758 PolarHBondContact O-N 3.43Å; I758-Y777 HydrophobicContact CB-CD1 4Å; I758-Y777 WeakPolarHBondContact CB-O 3.41Å; I758-Y777 HydrophobicContact CG1-CD1 4.11Å; I758-Y777 HydrophobicContact CG2-CD1 4.47Å; I758-Y777 PolarHBondContact N-O 3.18Å; I758-L779 HydrophobicContact CD1-CD1 3.88Å; I758-L779 HydrophobicContact CD1-CG 4.01Å; I758-L779 HydrophobicContact CG1-CD1 4.23Å; I758-L779 HydrophobicContact CG1-CG 3.85Å
759	A	98	Very high	95.7	Very high	15 Å²	15	37.8 Å²	37.8	12%	0.124	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.6	179.1	0	0	0	0	0	110.9	P468 R761 G776 Y777	P468-A759 HydrophobicContact CB-CB 3.9Å; P468-A759 HydrophobicContact CG-CB 3.34Å; A759-R761 HydrophobicContact CB-CG 4.4Å; A759-G776 CarbonylContact O-C 3.52Å; A759-G776 VanDerWaalsContact O-CA 3.27Å; A759-G776 WeakPolarHBondContact O-CA 3.23Å; A759-Y777 PolarHBondContact N-O 2.8Å; A759-Y777 PolarHBondContact O-N 3.37Å
760	Y	98.6	Very high	95.6	Very high	8 Å²	8	38.5 Å²	38.5	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	112.1	170.7	-170.8	-150.4	0	0	0	109.5	E715 H716 I718 F720 R747 I748 I774 S775	E715-Y760 HydrophobicContact CG-CE1 3.99Å; E715-Y760 PolarHBondContact OE1-OH 2.76Å; H716-Y760 HydrophobicContact CB-CD1 3.93Å; H716-Y760 HydrophobicContact CB-CG 4.19Å; H716-Y760 WeakPolarHBondContact O-CD1 3.35Å; I718-Y760 HydrophobicContact CD1-CE1 4.36Å; I718-Y760 HydrophobicContact CG1-CD1 4.07Å; I718-Y760 HydrophobicContact CG1-CE1 3.63Å; F720-Y760 AromaticContact CE1-CD1 3.86Å; F720-Y760 HydrophobicContact CE1-CD1 3.86Å; F720-Y760 HydrophobicContact CE1-CD2 4.16Å; F720-Y760 HydrophobicContact CE1-CE1 4.05Å; F720-Y760 HydrophobicContact CE1-CE2 4.28Å; F720-Y760 AromaticContact CE1-CG 3.92Å; F720-Y760 HydrophobicContact CE1-CG 3.92Å; F720-Y760 HydrophobicContact CZ-CD1 4.27Å; F720-Y760 AromaticContact CZ-CE1 3.97Å; F720-Y760 HydrophobicContact CZ-CE1 3.97Å; F720-Y760 HydrophobicContact CZ-CE2 4.19Å; F720-Y760 AromaticContact CZ-CZ 3.9Å; R747-Y760 WeakPolarHBondContact CA-OH 3.48Å; I748-Y760 HydrophobicContact CB-CE2 3.98Å; I748-Y760 HydrophobicContact CD1-CD2 4.36Å; I748-Y760 HydrophobicContact CD1-CE2 3.86Å; I748-Y760 HydrophobicContact CG1-CE2 4.06Å; I748-Y760 PolarHBondContact N-OH 2.79Å; Y760-I774 HydrophobicContact CE2-CD1 3.87Å; Y760-S775 WeakPolarHBondContact CA-O 3.43Å
761	R	98.3	Very high	95.7	Very high	68 Å²	68	38.2 Å²	38.2	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.7	-162.7	-56.7	-176.3	-65.9	-175.2	2.2	111.1	I466 A759 I774 S775	I466-R761 PolarHBondContact O-NH2 3.22Å; A759-R761 HydrophobicContact CB-CG 4.4Å; R761-I774 CarbonylContact O-C 3.29Å; R761-I774 WeakPolarHBondContact O-CA 3.34Å; R761-I774 WeakPolarHBondContact O-CB 3.33Å; R761-S775 PolarHBondContact N-O 3.43Å; R761-S775 PolarHBondContact O-N 3.41Å
762	S	98.3	Very high	95.8	Very high	19 Å²	19	38 Å²	38	13%	0.133	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	160.3	159.5	75.7	0	0	0	0	110.5	F720 P764 P773	F720-S762 WeakPolarHBondContact CB-OG 3.29Å; S762-P764 WeakPolarHBondContact O-CD 3.03Å; S762-P773 CarbonylContact C-O 3.55Å; S762-P773 WeakPolarHBondContact CA-O 3.32Å
763	H	98	Very high	96.2	Very high	16 Å²	16	37.7 Å²	37.7	7%	0.074	20%	0.195	C	C	.	.			trans	-122.4	80.1	-174.6	-59.8	-88.5	0	0	0	110.1	D463 W464 N765 Y766 P773 S775	D463-H763 PolarHBondContact O-CE1 3.21Å; D463-H763 PolarHBondContact O-ND1 3.18Å; W464-H763 AromaticContact CD1-CD2 3.39Å; W464-H763 AromaticContact CD1-CG 3.96Å; W464-H763 AromaticContact CD1-NE2 3.53Å; W464-H763 PolarHBondContact O-CE1 3.22Å; H763-N765 PolarHBondContact O-N 3.08Å; H763-Y766 HydrophobicContact CB-CD2 3.63Å; H763-Y766 HydrophobicContact CB-CE2 3.94Å; H763-Y766 PolarHBondContact O-N 2.86Å; H763-P773 HydrophobicContact CB-CB 4.49Å; H763-P773 HydrophobicContact CB-CG 4.05Å; H763-P773 PolarHBondContact CD2-O 3.14Å; H763-P773 PolarHBondContact N-O 3.48Å; H763-S775 PolarHBondContact NE2-OG 3.11Å
764	P	96	Very high	96.7	Very high	51 Å²	51	28 Å²	28	33%	0.331	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.4	-168.9	26.4	-35.4	0	0	0	114.7	S762 Y766	S762-P764 WeakPolarHBondContact O-CD 3.03Å; P764-Y766 PolarHBondContact O-N 3.22Å
765	N	94.5	Very high	97.2	Very high	105 Å²	105	27 Å²	27	56%	0.561	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.4	179.3	-66.8	-14	0	0	0	112.7	H763 I767	H763-N765 PolarHBondContact O-N 3.08Å; N765-I767 PolarHBondContact O-N 2.84Å
766	Y	96.2	Very high	97.4	Very high	15 Å²	15	26.6 Å²	26.6	6%	0.059	15%	0.145	C	C	.	.			trans	-80	111	174.4	-66.9	-79.9	0	0	0	110.7	W449 L459 N460 L461 D463 W464 H763 P764 K772 P773	W449-Y766 AromaticContact CH2-CD1 3.78Å; W449-Y766 HydrophobicContact CH2-CD1 3.78Å; W449-Y766 HydrophobicContact CH2-CG 4.09Å; W449-Y766 HydrophobicContact CZ2-CG 4.48Å; W449-Y766 HydrophobicContact CZ3-CD1 4.16Å; L459-Y766 HydrophobicContact CD2-CD1 3.78Å; L459-Y766 HydrophobicContact CD2-CE1 3.77Å; L459-Y766 HydrophobicContact CG-CD1 4.36Å; L459-Y766 HydrophobicContact CG-CE1 4.37Å; N460-Y766 WeakPolarHBondContact O-CE1 3.21Å; N460-Y766 PolarHBondContact O-OH 3.44Å; L461-Y766 VanDerWaalsContact C-OH 3.25Å; L461-Y766 VanDerWaalsContact CA-OH 3.27Å; L461-Y766 WeakPolarHBondContact CA-OH 3.3Å; L461-Y766 HydrophobicContact CD2-CE1 4.15Å; D463-Y766 HydrophobicContact CB-CE2 4.06Å; D463-Y766 PolarHBondContact N-OH 3.23Å; W464-Y766 HydrophobicContact CB-CE2 3.67Å; W464-Y766 PolarHBondContact N-OH 3.33Å; W464-Y766 VanDerWaalsContact N-OH 3.14Å; H763-Y766 HydrophobicContact CB-CD2 3.63Å; H763-Y766 HydrophobicContact CB-CE2 3.94Å; H763-Y766 PolarHBondContact O-N 2.86Å; P764-Y766 PolarHBondContact O-N 3.22Å; Y766-K772 WeakPolarHBondContact O-CD 3.29Å; Y766-K772 PolarHBondContact O-NZ 3Å; Y766-P773 HydrophobicContact CD2-CG 3.66Å; Y766-P773 HydrophobicContact CG-CG 3.78Å
767	I	95.8	Very high	97.5	Very high	62 Å²	62	23.7 Å²	23.7	32%	0.318	13%	0.127	S	C	.	.			trans	-115.3	-4	-171.1	60.8	176.1	0	0	0	114.6	N729 Q731 N765 S769	N729-I767 VanDerWaalsContact CA-O 3.26Å; N729-I767 WeakPolarHBondContact CA-O 3.34Å; N729-I767 PolarHBondContact N-O 3.01Å; Q731-I767 HydrophobicContact CG-CG2 4.21Å; N765-I767 PolarHBondContact O-N 2.84Å; I767-S769 VanDerWaalsContact C-N 3.27Å; I767-S769 PolarHBondContact O-N 2.94Å
768	C	94.3	Very high	97.5	Very high	21 Å²	21	22.5 Å²	22.5	14%	0.142	12%	0.119	C	C	.	.	S	Bend	trans	-71.3	-20.1	-175.3	63.1	0	0	0	0	114.2	W449 R454 L459 I728	W449-C768 WeakPolarHBondContact CH2-SG 3.42Å; W449-C768 WeakPolarHBondContact CZ2-SG 3.47Å; R454-C768 WeakPolarHBondContact CG-O 3.32Å; R454-C768 PolarHBondContact NE-O 3.11Å; R454-C768 VanDerWaalsContact NE-O 3.12Å; L459-C768 HydrophobicContact CD1-CB 4.12Å; I728-C768 WeakPolarHBondContact CG2-O 3.24Å
769	S	96.4	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-108.9	159.5	175.4	178.5	0	0	0	0	110.3	N450 I767 H771	N450-S769 WeakPolarHBondContact O-CB 3.44Å; N450-S769 PolarHBondContact O-OG 2.92Å; I767-S769 VanDerWaalsContact C-N 3.27Å; I767-S769 PolarHBondContact O-N 2.94Å; S769-H771 PolarHBondContact O-N 3.06Å; S769-H771 PolarHBondContact OG-N 3.42Å; S769-H771 VanDerWaalsContact OG-N 3.08Å
770	D	97.4	Very high	97.5	Very high	16 Å²	16	20.8 Å²	20.8	9%	0.086	11%	0.108	C	C	.	.	S	Bend	trans	-76.3	-1.8	167.1	63.3	-28.4	0	0	0	112.9	N452 K725 F726 I728	N452-D770 VanDerWaalsContact CB-OD1 3.32Å; N452-D770 WeakPolarHBondContact CB-OD1 3.45Å; N452-D770 VanDerWaalsContact ND2-CG 3.28Å; N452-D770 PolarHBondContact ND2-OD1 2.9Å; K725-D770 WeakPolarHBondContact CE-OD2 3.18Å; K725-D770 HydrophobicContact CG-CB 3.88Å; F726-D770 PolarHBondContact N-O 3.44Å; F726-D770 WeakPolarHBondContact O-CA 3.17Å; F726-D770 WeakPolarHBondContact O-CB 2.8Å; I728-D770 HydrophobicContact CG1-CB 4.41Å
771	H	98.5	Very high	97.4	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.019	12%	0.123	C	C	.	.	S	Bend	trans	-110.4	151.6	167.1	-73	-118.4	0	0	0	112.5	W449 N450 D669 T723 Y724 D746 S769	W449-H771 PolarHBondContact NE1-O 3.16Å; N450-H771 HydrophobicContact CB-CB 4.08Å; D669-H771 IonicContact OD2-CE1 3.96Å; D669-H771 PolarHBondContact OD2-CE1 3.38Å; D669-H771 IonicContact OD2-NE2 3.52Å; T723-H771 CarbonylContact O-C 3.52Å; T723-H771 VanDerWaalsContact O-CA 3.27Å; T723-H771 WeakPolarHBondContact O-CA 3.21Å; Y724-H771 AromaticContact CD2-CD2 3.49Å; Y724-H771 VanDerWaalsContact CD2-CD2 3.49Å; Y724-H771 WeakPolarHBondContact CD2-CD2 3.41Å; Y724-H771 AromaticContact CD2-CE1 3.45Å; Y724-H771 VanDerWaalsContact CD2-CE1 3.45Å; Y724-H771 WeakPolarHBondContact CD2-CE1 3.47Å; Y724-H771 AromaticContact CD2-NE2 3.04Å; Y724-H771 WeakPolarHBondContact CD2-NE2 3.38Å; Y724-H771 AromaticContact CE2-CD2 3.98Å; Y724-H771 AromaticContact CE2-NE2 3.36Å; Y724-H771 WeakPolarHBondContact CE2-NE2 3.26Å; Y724-H771 AromaticContact CG-CE1 3.93Å; Y724-H771 AromaticContact CG-NE2 3.96Å; D746-H771 IonicContact OD1-CE1 3.4Å; D746-H771 IonicContact OD1-ND1 3.43Å; D746-H771 PolarHBondContact OD1-ND1 3.38Å; D746-H771 VanDerWaalsContact OD1-ND1 3.1Å; D746-H771 IonicContact OD2-CE1 3.67Å; D746-H771 IonicContact OD2-CG 2.67Å; D746-H771 IonicContact OD2-ND1 3.57Å; D746-H771 PolarHBondContact OD2-ND1 3.07Å; S769-H771 PolarHBondContact O-N 3.06Å; S769-H771 PolarHBondContact OG-N 3.42Å; S769-H771 VanDerWaalsContact OG-N 3.08Å
772	K	98	Very high	97.2	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	11%	0.111	C	C	.	.			trans	-97.7	134	168.5	-53.8	-54.1	179.9	-170	0	110.4	T723 F726 C730 Y766	T723-K772 HydrophobicContact CG2-CB 4.31Å; T723-K772 PolarHBondContact O-N 3.41Å; F726-K772 HydrophobicContact CD2-CD 4.25Å; F726-K772 HydrophobicContact CD2-CG 3.95Å; F726-K772 HydrophobicContact CE2-CD 4.23Å; F726-K772 HydrophobicContact CE2-CG 3.53Å; F726-K772 HydrophobicContact CZ-CG 3.94Å; C730-K772 PolarHBondContact O-NZ 2.91Å; C730-K772 VanDerWaalsContact O-NZ 3.15Å; Y766-K772 WeakPolarHBondContact O-CD 3.29Å; Y766-K772 PolarHBondContact O-NZ 3Å
773	P	98.5	Very high	96.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.			trans	-61.6	149.1	174.2	8.2	-5.4	0	0	0	110.7	T448 W449 W464 S762 H763 Y766	T448-P773 WeakPolarHBondContact O-CA 3.27Å; W449-P773 HydrophobicContact CB-CB 3.93Å; W449-P773 HydrophobicContact CD2-CB 3.85Å; W449-P773 HydrophobicContact CD2-CG 3.67Å; W449-P773 HydrophobicContact CE3-CB 4.22Å; W449-P773 HydrophobicContact CE3-CG 3.97Å; W449-P773 HydrophobicContact CG-CB 3.71Å; W449-P773 HydrophobicContact CG-CG 4Å; W449-P773 HydrophobicContact CH2-CG 4.45Å; W449-P773 HydrophobicContact CZ2-CG 4.19Å; W449-P773 HydrophobicContact CZ3-CG 4.32Å; W464-P773 HydrophobicContact CD2-CB 4.07Å; W464-P773 HydrophobicContact CG-CB 4.17Å; W464-P773 HydrophobicContact CZ2-CB 4.21Å; S762-P773 CarbonylContact C-O 3.55Å; S762-P773 WeakPolarHBondContact CA-O 3.32Å; H763-P773 HydrophobicContact CB-CB 4.49Å; H763-P773 HydrophobicContact CB-CG 4.05Å; H763-P773 PolarHBondContact CD2-O 3.14Å; H763-P773 PolarHBondContact N-O 3.48Å; Y766-P773 HydrophobicContact CD2-CG 3.66Å; Y766-P773 HydrophobicContact CG-CG 3.78Å
774	I	98.8	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.8	168.8	58.7	157.8	0	0	0	110.6	G447 T448 W464 F720 T723 D746 I748 Y760 R761	G447-I774 WeakPolarHBondContact CA-O 3.42Å; T448-I774 HydrophobicContact CG2-CD1 3.61Å; T448-I774 HydrophobicContact CG2-CG1 3.39Å; T448-I774 PolarHBondContact N-O 3.29Å; T448-I774 PolarHBondContact O-N 3.36Å; W464-I774 PolarHBondContact NE1-O 3.07Å; F720-I774 HydrophobicContact CE2-CG2 4.07Å; F720-I774 HydrophobicContact CZ-CG2 4.18Å; T723-I774 HydrophobicContact CG2-CG2 3.6Å; D746-I774 VanDerWaalsContact C-CD1 3.4Å; D746-I774 HydrophobicContact CB-CD1 4.11Å; D746-I774 HydrophobicContact CB-CG1 4.03Å; D746-I774 HydrophobicContact CB-CG2 4.49Å; D746-I774 VanDerWaalsContact O-CD1 3.22Å; D746-I774 WeakPolarHBondContact O-CD1 3.22Å; I748-I774 HydrophobicContact CD1-CD1 4.13Å; I748-I774 HydrophobicContact CG1-CD1 3.88Å; Y760-I774 HydrophobicContact CE2-CD1 3.87Å; R761-I774 CarbonylContact O-C 3.29Å; R761-I774 WeakPolarHBondContact O-CA 3.34Å; R761-I774 WeakPolarHBondContact O-CB 3.33Å
775	S	98.9	Very high	96.7	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.014	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148	167.8	64.9	0	0	0	0	113.3	I446 Y760 R761 H763	I446-S775 CarbonylContact O-C 3.5Å; I446-S775 WeakPolarHBondContact O-CA 3.36Å; Y760-S775 WeakPolarHBondContact CA-O 3.43Å; R761-S775 PolarHBondContact N-O 3.43Å; R761-S775 PolarHBondContact O-N 3.41Å; H763-S775 PolarHBondContact NE2-OG 3.11Å
776	G	98.7	Very high	96.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.9	170.6	0	0	0	0	0	110.4	F445 I446 A759	F445-G776 WeakPolarHBondContact CA-O 3.26Å; I446-G776 PolarHBondContact N-O 2.82Å; I446-G776 PolarHBondContact O-N 3.11Å; A759-G776 CarbonylContact O-C 3.52Å; A759-G776 VanDerWaalsContact O-CA 3.27Å; A759-G776 WeakPolarHBondContact O-CA 3.23Å
777	Y	98.7	Very high	96.9	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.008	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.8	173	-168.1	-77.4	0	0	0	108.6	S443 F445 P467 P468 Q471 P472 A474 I758 A759 L779	S443-Y777 VanDerWaalsContact CB-CZ 3.48Å; S443-Y777 WeakPolarHBondContact CB-OH 3.38Å; S443-Y777 PolarHBondContact OG-OH 2.95Å; F445-Y777 HydrophobicContact CD2-CD2 4.4Å; P467-Y777 HydrophobicContact CB-CD2 4.44Å; P467-Y777 HydrophobicContact CB-CE2 4.01Å; P468-Y777 VanDerWaalsContact CD-CD2 3.46Å; P468-Y777 HydrophobicContact CG-CD2 4.22Å; P468-Y777 HydrophobicContact CG-CG 3.99Å; Q471-Y777 HydrophobicContact CB-CE1 4.15Å; Q471-Y777 HydrophobicContact CB-CE2 4.31Å; Q471-Y777 HydrophobicContact CG-CD1 4.5Å; Q471-Y777 HydrophobicContact CG-CE1 4.2Å; P472-Y777 WeakPolarHBondContact O-CE2 3.32Å; P472-Y777 PolarHBondContact O-OH 2.86Å; A474-Y777 HydrophobicContact CB-CD2 4.31Å; A474-Y777 HydrophobicContact CB-CE2 3.77Å; I758-Y777 HydrophobicContact CB-CD1 4Å; I758-Y777 WeakPolarHBondContact CB-O 3.41Å; I758-Y777 HydrophobicContact CG1-CD1 4.11Å; I758-Y777 HydrophobicContact CG2-CD1 4.47Å; I758-Y777 PolarHBondContact N-O 3.18Å; A759-Y777 PolarHBondContact N-O 2.8Å; A759-Y777 PolarHBondContact O-N 3.37Å; Y777-L779 HydrophobicContact CE1-CD2 4.29Å
778	F	98.6	Very high	96.9	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.2	-173.3	-58.4	-95.9	0	0	0	110.5	S443 V444 I446 F665 I748 W750 C755 T756 P757 V780	S443-F778 CarbonylContact C-O 3.48Å; S443-F778 VanDerWaalsContact CA-O 3.32Å; S443-F778 WeakPolarHBondContact CA-O 3.46Å; V444-F778 HydrophobicContact CB-CB 4.49Å; V444-F778 PolarHBondContact N-O 3.48Å; V444-F778 PolarHBondContact O-N 3.11Å; I446-F778 HydrophobicContact CB-CE2 4.47Å; I446-F778 HydrophobicContact CD1-CD2 4.37Å; I446-F778 HydrophobicContact CD1-CE2 4.16Å; I446-F778 HydrophobicContact CG1-CD2 4.42Å; I446-F778 HydrophobicContact CG1-CE2 4.33Å; F665-F778 HydrophobicContact CD1-CE2 4.42Å; F665-F778 HydrophobicContact CD1-CZ 4.45Å; F665-F778 HydrophobicContact CE1-CB 4.42Å; F665-F778 AromaticContact CE1-CD1 3.79Å; F665-F778 HydrophobicContact CE1-CD1 3.79Å; F665-F778 AromaticContact CE1-CD2 3.79Å; F665-F778 HydrophobicContact CE1-CD2 3.79Å; F665-F778 AromaticContact CE1-CE1 3.89Å; F665-F778 HydrophobicContact CE1-CE1 3.89Å; F665-F778 AromaticContact CE1-CE2 3.91Å; F665-F778 HydrophobicContact CE1-CE2 3.91Å; F665-F778 AromaticContact CE1-CG 3.74Å; F665-F778 HydrophobicContact CE1-CG 3.74Å; F665-F778 AromaticContact CE1-CZ 3.96Å; F665-F778 HydrophobicContact CE1-CZ 3.96Å; F665-F778 HydrophobicContact CZ-CB 4.21Å; F665-F778 HydrophobicContact CZ-CD1 4.31Å; F665-F778 HydrophobicContact CZ-CD2 4.28Å; F665-F778 HydrophobicContact CZ-CG 4.02Å; I748-F778 HydrophobicContact CG2-CE2 4.02Å; I748-F778 HydrophobicContact CG2-CZ 3.8Å; W750-F778 HydrophobicContact CD2-CE1 4.12Å; W750-F778 AromaticContact CE3-CE1 3.71Å; W750-F778 HydrophobicContact CE3-CE1 3.71Å; W750-F778 HydrophobicContact CE3-CZ 4.33Å; W750-F778 HydrophobicContact CZ3-CE1 4.01Å; C755-F778 VanDerWaalsContact SG-CD1 3.55Å; T756-F778 CarbonylContact O-C 3.58Å; T756-F778 WeakPolarHBondContact O-CA 3.27Å; P757-F778 HydrophobicContact CB-CD1 3.8Å; P757-F778 HydrophobicContact CB-CE1 3.72Å; F778-V780 HydrophobicContact CB-CG2 4.3Å
779	L	98	Very high	97.1	Very high	42 Å²	42	15.3 Å²	15.3	22%	0.22	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.1	160.5	-62.7	179.6	0	0	0	108.3	I442 T756 I758 Y777	I442-L779 WeakPolarHBondContact O-CA 3.45Å; T756-L779 PolarHBondContact N-O 3.49Å; T756-L779 PolarHBondContact O-N 3.04Å; I758-L779 HydrophobicContact CD1-CD1 3.88Å; I758-L779 HydrophobicContact CD1-CG 4.01Å; I758-L779 HydrophobicContact CG1-CD1 4.23Å; I758-L779 HydrophobicContact CG1-CG 3.85Å; Y777-L779 HydrophobicContact CE1-CD2 4.29Å
780	V	97.7	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.1	-178.5	-177.8	0	0	0	0	109.2	K441 I442 V444 L610 V663 F665 G754 F778 V782	K441-V780 WeakPolarHBondContact CA-O 3.48Å; I442-V780 HydrophobicContact CG1-CB 4.12Å; I442-V780 PolarHBondContact N-O 2.82Å; I442-V780 PolarHBondContact O-N 3.39Å; V444-V780 HydrophobicContact CB-CG2 4.32Å; V444-V780 HydrophobicContact CG2-CB 4.28Å; V444-V780 HydrophobicContact CG2-CG2 3.7Å; L610-V780 HydrophobicContact CD2-CG1 4.09Å; V663-V780 HydrophobicContact CG2-CG1 3.97Å; F665-V780 HydrophobicContact CE2-CG2 4.25Å; F665-V780 HydrophobicContact CZ-CG2 4Å; G754-V780 WeakPolarHBondContact O-CA 3.46Å; F778-V780 HydrophobicContact CB-CG2 4.3Å; V780-V782 HydrophobicContact CG1-CG1 4.41Å
781	E	95.9	Very high	97.2	Very high	72 Å²	72	16.4 Å²	16.4	34%	0.336	7%	0.074	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.1	172.9	-68.4	174.1	172.3	0	0	110.4	R440 K441 G754	R440-E781 CarbonylContact O-C 3.56Å; R440-E781 VanDerWaalsContact O-CA 3.29Å; R440-E781 WeakPolarHBondContact O-CA 3.35Å; K441-E781 VanDerWaalsContact CE-OE1 3.3Å; K441-E781 WeakPolarHBondContact CE-OE1 3.36Å; K441-E781 HydrophobicContact CG-CG 3.93Å; K441-E781 IonicContact NZ-OE1 2.68Å; G754-E781 WeakPolarHBondContact CA-OE2 3.42Å; G754-E781 PolarHBondContact O-N 2.66Å
782	V	93.7	Very high	97.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.1	177.4	-60.8	0	0	0	0	110.1	Y439 R440 I442 F606 T608 V780	Y439-V782 CarbonylContact C-O 3.56Å; Y439-V782 WeakPolarHBondContact CA-O 3.23Å; R440-V782 HydrophobicContact CB-CG2 4.08Å; R440-V782 PolarHBondContact N-O 3.06Å; R440-V782 PolarHBondContact O-N 2.93Å; I442-V782 HydrophobicContact CD1-CG1 3.79Å; I442-V782 HydrophobicContact CG1-CG1 3.91Å; I442-V782 HydrophobicContact CG2-CG2 3.84Å; F606-V782 HydrophobicContact CD2-CB 4.13Å; F606-V782 HydrophobicContact CD2-CG2 3.52Å; F606-V782 HydrophobicContact CE2-CG2 3.79Å; T608-V782 HydrophobicContact CG2-CG1 4.08Å; T608-V782 VanDerWaalsContact OG1-CA 3.25Å; T608-V782 WeakPolarHBondContact OG1-CA 3.46Å; V780-V782 HydrophobicContact CG1-CG1 4.41Å
783	Y	89.2	Confident	97	Very high	85 Å²	85	18.7 Å²	18.7	33%	0.333	8%	0.084	S	C	.	.			trans	-129.1	0	-177	63.3	-87.7	0	0	0	112.9	R420 K438 Y439 F606 N607 T608	R420-Y783 PolarHBondContact NH1-OH 2.87Å; K438-Y783 WeakPolarHBondContact O-CB 3.17Å; Y439-Y783 HydrophobicContact CD1-CD1 4.36Å; Y439-Y783 HydrophobicContact CD1-CG 4.43Å; Y439-Y783 AromaticContact CE1-CD1 3.96Å; Y439-Y783 HydrophobicContact CE1-CD1 3.96Å; Y439-Y783 HydrophobicContact CE1-CG 4.07Å; F606-Y783 WeakPolarHBondContact CB-O 3.34Å; N607-Y783 WeakPolarHBondContact CA-O 3.41Å; N607-Y783 HydrophobicContact CB-CD2 3.72Å; N607-Y783 HydrophobicContact CB-CE2 3.58Å; N607-Y783 WeakPolarHBondContact CB-O 3.13Å; N607-Y783 PolarHBondContact N-O 3.34Å; N607-Y783 PolarHBondContact ND2-O 2.97Å; N607-Y783 PolarHBondContact ND2-OXT 3Å; N607-Y783 VanDerWaalsContact O-CZ 3.3Å; N607-Y783 PolarHBondContact O-OH 3.23Å; T608-Y783 HydrophobicContact CG2-CE1 4.44Å; T608-Y783 WeakPolarHBondContact OG1-CD1 3.48Å; T608-Y783 VanDerWaalsContact OG1-CE1 3.24Å; T608-Y783 WeakPolarHBondContact OG1-CE1 3.17Å; T608-Y783 PolarHBondContact OG1-N 2.79Å

Retrieved 783 of 783 residues in 1175.9 ms (Link to these results)

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