A0A096MGZ7_POEFO Loading...

E3 ubiquitin-protein ligase TRIM9

AlphaFold DB , UniProt , Accession A0A096MGZ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 716 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	75.9	Confident	169 Å²	169	87.9 Å²	87.9	83%	0.833	43%	0.432	S	S	*	.				0	-17.4	0	-149.1	-179.7	-67.6	0	0	111.2	Y163	M1-Y163 HydrophobicContact CG-CE2 4.14Å; M1-Y163 PolarHBondContact O-OH 3.02Å
2	D	52.3	Low	76.9	Confident	118 Å²	118	85.3 Å²	85.3	63%	0.631	43%	0.425	S	S	*	.			trans	-77.7	-29.2	177.9	-50.9	-61.5	0	0	0	113.5	M4 E5	D2-M4 VanDerWaalsContact C-N 3.3Å; D2-M4 PolarHBondContact O-N 3.34Å; D2-E5 WeakPolarHBondContact O-CB 3.4Å; D2-E5 PolarHBondContact O-N 3.35Å
3	E	62.8	Low	77.8	Confident	180 Å²	180	83.3 Å²	83.3	84%	0.841	42%	0.423	S	S	*	.	H	α-helix	trans	-64.7	-30.5	177	-65.7	173.5	170.2	0	0	113.4	E5	E3-E5 PolarHBondContact O-N 3.4Å
4	M	72.1	Confident	78.2	Confident	91 Å²	91	80.9 Å²	80.9	45%	0.448	43%	0.43	S	S	.	.	H	α-helix	trans	-73.2	-17.9	174.5	-168.6	174.8	72.9	0	0	112.2	D2 E6 E7 L8 Y163	D2-M4 VanDerWaalsContact C-N 3.3Å; D2-M4 PolarHBondContact O-N 3.34Å; M4-E6 VanDerWaalsContact C-N 3.34Å; M4-E6 PolarHBondContact O-N 3.34Å; M4-E7 PolarHBondContact O-N 3.28Å; M4-L8 HydrophobicContact CE-CD1 4.34Å; M4-L8 HydrophobicContact CG-CD1 4.47Å; M4-L8 WeakPolarHBondContact O-CG 3.5Å; M4-Y163 HydrophobicContact CE-CD2 3.07Å; M4-Y163 HydrophobicContact CE-CE2 3.33Å; M4-Y163 HydrophobicContact CE-CG 4.04Å
5	E	80.8	Confident	78.9	Confident	32 Å²	32	80.1 Å²	80.1	15%	0.15	43%	0.433	C	S	.	.	H	α-helix	trans	-66.2	-37.9	-177.6	-165.6	176.2	127.8	0	0	112.1	D2 E3 E7 L8 K9 F16 Y163 K167	D2-E5 WeakPolarHBondContact O-CB 3.4Å; D2-E5 PolarHBondContact O-N 3.35Å; E3-E5 PolarHBondContact O-N 3.4Å; E5-E7 VanDerWaalsContact C-N 3.31Å; E5-E7 PolarHBondContact O-N 2.87Å; E5-L8 PolarHBondContact O-N 2.67Å; E5-K9 PolarHBondContact O-N 3.39Å; E5-K9 WeakPolarHBondContact OE1-CE 3.49Å; E5-K9 IonicContact OE1-NZ 3.27Å; E5-K9 PolarHBondContact OE1-NZ 2.94Å; E5-F16 HydrophobicContact CG-CE1 3.94Å; E5-F16 HydrophobicContact CG-CZ 3.85Å; E5-Y163 HydrophobicContact CB-CE1 4.36Å; E5-Y163 WeakPolarHBondContact CB-OH 3.45Å; E5-Y163 HydrophobicContact CG-CE1 4.13Å; E5-K167 IonicContact OE2-NZ 3.66Å; E5-K167 PolarHBondContact OE2-NZ 3.2Å
6	E	82.4	Confident	79.4	Confident	121 Å²	121	77.9 Å²	77.9	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-63.4	-38.1	179	-67.7	-55.3	122.5	0	0	111.6	M4 L8 K9	M4-E6 VanDerWaalsContact C-N 3.34Å; M4-E6 PolarHBondContact O-N 3.34Å; E6-L8 PolarHBondContact O-N 3.41Å; E6-K9 PolarHBondContact O-N 3.11Å; E6-K9 IonicContact OE1-NZ 2.65Å; E6-K9 PolarHBondContact OE1-NZ 3.25Å
7	E	84.3	Confident	79.8	Confident	146 Å²	146	73.9 Å²	73.9	68%	0.682	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-15.1	175	-64.3	-60.9	148.6	0	0	113.6	M4 E5	M4-E7 PolarHBondContact O-N 3.28Å; E5-E7 VanDerWaalsContact C-N 3.31Å; E5-E7 PolarHBondContact O-N 2.87Å
8	L	87.6	Confident	80.1	Confident	7 Å²	7	80.9 Å²	80.9	4%	0.037	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.7	-178.8	-63.1	179.7	0	0	0	113.4	M4 E5 E6 F16 Y17 L156 V159 V160 Y163	M4-L8 HydrophobicContact CE-CD1 4.34Å; M4-L8 HydrophobicContact CG-CD1 4.47Å; M4-L8 WeakPolarHBondContact O-CG 3.5Å; E5-L8 PolarHBondContact O-N 2.67Å; E6-L8 PolarHBondContact O-N 3.41Å; L8-F16 HydrophobicContact CB-CD1 3.89Å; L8-F16 HydrophobicContact CB-CE1 3.99Å; L8-F16 WeakPolarHBondContact O-CA 3.19Å; L8-Y17 WeakPolarHBondContact O-CD2 3.15Å; L8-Y17 PolarHBondContact O-N 3.35Å; L8-L156 HydrophobicContact CD2-CD1 3.8Å; L8-V159 HydrophobicContact CD2-CG1 3.74Å; L8-V160 HydrophobicContact CB-CG2 4.17Å; L8-V160 HydrophobicContact CD2-CG2 4.05Å; L8-Y163 HydrophobicContact CD1-CD1 3.44Å; L8-Y163 VanDerWaalsContact CD1-CD1 3.44Å; L8-Y163 HydrophobicContact CD1-CD2 4.01Å; L8-Y163 HydrophobicContact CD1-CE1 4.05Å; L8-Y163 HydrophobicContact CD1-CG 3.39Å
9	K	88.8	Confident	80.3	Confident	46 Å²	46	81.7 Å²	81.7	20%	0.2	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-97.8	140.2	178.6	-74.2	170.3	-179.2	158.1	0	111.3	E5 E6 S15 Y17	E5-K9 PolarHBondContact O-N 3.39Å; E5-K9 WeakPolarHBondContact OE1-CE 3.49Å; E5-K9 IonicContact OE1-NZ 3.27Å; E5-K9 PolarHBondContact OE1-NZ 2.94Å; E6-K9 PolarHBondContact O-N 3.11Å; E6-K9 IonicContact OE1-NZ 2.65Å; E6-K9 PolarHBondContact OE1-NZ 3.25Å; K9-S15 WeakPolarHBondContact CA-O 3.42Å; K9-Y17 VanDerWaalsContact O-CE2 3.27Å; K9-Y17 WeakPolarHBondContact O-CE2 3.46Å; K9-Y17 PolarHBondContact O-OH 3.44Å
10	C	88.8	Confident	80.7	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	40%	0.397	C	S	.	.			trans	-72.3	126.3	171.6	177.6	0	0	0	0	109.8	V12 C13 G14 S15 Y17 C30	C10-V12 PolarHBondContact O-N 2.96Å; C10-C13 VanDerWaalsContact CB-SG 3.57Å; C10-C13 PolarHBondContact O-N 3.36Å; C10-G14 WeakPolarHBondContact O-CA 3.47Å; C10-G14 PolarHBondContact O-N 3.42Å; C10-S15 PolarHBondContact N-O 3.49Å; C10-Y17 HydrophobicContact CB-CD1 3.79Å; C10-Y17 HydrophobicContact CB-CE1 3.71Å; C10-Y17 HydrophobicContact CB-CG 4.47Å; C10-C30 VanDerWaalsContact CB-SG 3.52Å; C10-C30 VanDerWaalsContact SG-SG 3.68Å
11	P	87.8	Confident	81.1	Confident	57 Å²	57	74 Å²	74	37%	0.37	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.6	-177.6	26.6	-37.2	0	0	0	113.8	Y17 P134 Q135	P11-Y17 WeakPolarHBondContact CD-OH 3.5Å; P11-P134 HydrophobicContact CB-CG 4.16Å; P11-P134 HydrophobicContact CG-CG 3.67Å; P11-Q135 HydrophobicContact CB-CG 3.94Å; P11-Q135 HydrophobicContact CG-CG 3.83Å
12	V	87.8	Confident	83	Confident	57 Å²	57	68.7 Å²	68.7	35%	0.345	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-42.7	-179.4	-179.4	0	0	0	0	112.7	C10 I29 C33 I37 P134	C10-V12 PolarHBondContact O-N 2.96Å; V12-I29 HydrophobicContact CB-CD1 4.46Å; V12-I29 HydrophobicContact CG2-CD1 3.51Å; V12-I29 HydrophobicContact CG2-CG1 4.11Å; V12-C33 HydrophobicContact CB-CB 3.81Å; V12-C33 HydrophobicContact CG1-CB 3.84Å; V12-C33 HydrophobicContact CG2-CB 4.35Å; V12-I37 HydrophobicContact CG1-CG2 4.15Å; V12-I37 HydrophobicContact CG2-CD1 4.43Å; V12-P134 HydrophobicContact CG2-CB 4.39Å; V12-P134 HydrophobicContact CG2-CG 3.85Å
13	C	87.6	Confident	84.7	Confident	59 Å²	59	63.2 Å²	63.2	40%	0.399	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-3.9	-178.6	66	0	0	0	0	114.2	C10 S15	C10-C13 VanDerWaalsContact CB-SG 3.57Å; C10-C13 PolarHBondContact O-N 3.36Å; C13-S15 PolarHBondContact O-N 3.38Å; C13-S15 PolarHBondContact O-OG 3.45Å
14	G	84.7	Confident	85.6	Confident	50 Å²	50	59 Å²	59	52%	0.515	31%	0.311	S	S	.	.	S	Bend	trans	63.4	2	-177.2	0	0	0	0	0	114.8	C10	C10-G14 WeakPolarHBondContact O-CA 3.47Å; C10-G14 PolarHBondContact O-N 3.42Å
15	S	88.4	Confident	86.3	Confident	68 Å²	68	55.8 Å²	55.8	48%	0.476	30%	0.298	S	S	.	.	S	Bend	trans	-101.1	160.3	-177.8	-58.6	0	0	0	0	110.6	K9 C10 C13 Y17	K9-S15 WeakPolarHBondContact CA-O 3.42Å; C10-S15 PolarHBondContact N-O 3.49Å; C13-S15 PolarHBondContact O-N 3.38Å; C13-S15 PolarHBondContact O-OG 3.45Å; S15-Y17 PolarHBondContact O-N 2.79Å
16	F	87	Confident	86.7	Confident	46 Å²	46	58.9 Å²	58.9	20%	0.202	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-52.7	140.9	173	-70.3	-69.7	0	0	0	112.2	E5 L8 R18 V160 Y163 Q164	E5-F16 HydrophobicContact CG-CE1 3.94Å; E5-F16 HydrophobicContact CG-CZ 3.85Å; L8-F16 HydrophobicContact CB-CD1 3.89Å; L8-F16 HydrophobicContact CB-CE1 3.99Å; L8-F16 WeakPolarHBondContact O-CA 3.19Å; F16-R18 PolarHBondContact O-N 3.48Å; F16-V160 HydrophobicContact CB-CG1 3.75Å; F16-V160 HydrophobicContact CD1-CG1 4.2Å; F16-V160 HydrophobicContact CG-CG1 4.19Å; F16-Y163 AromaticContact CE1-CD1 3.83Å; F16-Y163 HydrophobicContact CE1-CD1 3.83Å; F16-Y163 AromaticContact CE1-CE1 3.83Å; F16-Y163 HydrophobicContact CE1-CE1 3.83Å; F16-Y163 HydrophobicContact CZ-CD1 4.13Å; F16-Y163 AromaticContact CZ-CE1 3.9Å; F16-Y163 HydrophobicContact CZ-CE1 3.9Å; F16-Q164 HydrophobicContact CD2-CG 4.26Å; F16-Q164 HydrophobicContact CE2-CG 4.31Å; F16-Q164 HydrophobicContact CG-CG 4.44Å
17	Y	86.4	Confident	87	Confident	10 Å²	10	56 Å²	56	4%	0.039	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-55.2	133.3	-177.6	-75.6	-75	0	0	0	113	L8 K9 C10 P11 S15 P20 N28 L156	L8-Y17 WeakPolarHBondContact O-CD2 3.15Å; L8-Y17 PolarHBondContact O-N 3.35Å; K9-Y17 VanDerWaalsContact O-CE2 3.27Å; K9-Y17 WeakPolarHBondContact O-CE2 3.46Å; K9-Y17 PolarHBondContact O-OH 3.44Å; C10-Y17 HydrophobicContact CB-CD1 3.79Å; C10-Y17 HydrophobicContact CB-CE1 3.71Å; C10-Y17 HydrophobicContact CB-CG 4.47Å; P11-Y17 WeakPolarHBondContact CD-OH 3.5Å; S15-Y17 PolarHBondContact O-N 2.79Å; Y17-P20 HydrophobicContact CD1-CB 3.8Å; Y17-P20 HydrophobicContact CG-CB 4.12Å; Y17-N28 HydrophobicContact CD1-CB 4.47Å; Y17-N28 VanDerWaalsContact CE1-C 3.48Å; Y17-N28 HydrophobicContact CE1-CB 3.75Å; Y17-N28 VanDerWaalsContact CE1-O 3.25Å; Y17-N28 WeakPolarHBondContact CE1-O 3.34Å; Y17-N28 HydrophobicContact CE2-CB 4.41Å; Y17-N28 PolarHBondContact OH-O 2.93Å; Y17-L156 HydrophobicContact CD1-CD2 4.36Å; Y17-L156 HydrophobicContact CD2-CD1 4.25Å; Y17-L156 HydrophobicContact CD2-CD2 3.57Å; Y17-L156 HydrophobicContact CD2-CG 4.02Å; Y17-L156 HydrophobicContact CE2-CD2 3.83Å; Y17-L156 HydrophobicContact CG-CD2 3.84Å; Y17-L156 HydrophobicContact CG-CG 4.35Å
18	R	84.1	Confident	87.3	Confident	200 Å²	200	50.5 Å²	50.5	76%	0.755	29%	0.285	S	S	*	.	S	Bend	trans	-128.1	124.4	172.1	-67.8	-176.7	-179	173.1	1.2	108.9	F16 C30	F16-R18 PolarHBondContact O-N 3.48Å; R18-C30 PolarHBondContact N-SG 2.83Å; R18-C30 WeakPolarHBondContact O-CB 3.12Å
19	E	83.6	Confident	87.5	Confident	95 Å²	95	50.2 Å²	50.2	44%	0.444	28%	0.283	S	S	.	.	S	Bend	trans	41.6	57.7	-169.4	-63.1	-166.1	92.8	0	0	113.2	L31 K152 E157	E19-L31 HydrophobicContact CB-CB 4.3Å; E19-L31 WeakPolarHBondContact O-CB 3.28Å; E19-L31 PolarHBondContact O-N 3.5Å; E19-K152 IonicContact OE1-NZ 2.73Å; E19-K152 PolarHBondContact OE1-NZ 3.05Å; E19-E157 PolarHBondContact N-OE1 2.81Å
20	P	89.6	Confident	87.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.4	-179.4	26.5	-33.4	0	0	0	111.9	Y17 I29 K152 N153 L156 E157	Y17-P20 HydrophobicContact CD1-CB 3.8Å; Y17-P20 HydrophobicContact CG-CB 4.12Å; P20-I29 CarbonylContact C-O 3.55Å; P20-I29 WeakPolarHBondContact CA-O 3.45Å; P20-K152 CarbonylContact O-C 3.59Å; P20-K152 WeakPolarHBondContact O-CA 3.47Å; P20-N153 HydrophobicContact CB-CB 4.28Å; P20-N153 HydrophobicContact CG-CB 4Å; P20-N153 WeakPolarHBondContact CG-O 3.44Å; P20-N153 PolarHBondContact O-N 3.22Å; P20-L156 HydrophobicContact CB-CD2 4.04Å; P20-L156 HydrophobicContact CG-CB 4.22Å; P20-L156 HydrophobicContact CG-CD2 4.13Å; P20-L156 HydrophobicContact CG-CG 4.3Å; P20-E157 HydrophobicContact CG-CB 4.47Å
21	I	87.7	Confident	87.5	Confident	2 Å²	2	49 Å²	49	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.1	167.9	59.2	167.2	0	0	0	110.3	L23 N28 I29 L31 A34 L147 F150 P151	I21-L23 HydrophobicContact CD1-CD2 4.42Å; I21-N28 WeakPolarHBondContact O-CA 3.43Å; I21-I29 HydrophobicContact CD1-CG2 3.94Å; I21-I29 HydrophobicContact CG1-CG2 3.58Å; I21-I29 WeakPolarHBondContact CG1-O 3.38Å; I21-I29 PolarHBondContact N-O 3.48Å; I21-I29 PolarHBondContact O-N 3.4Å; I21-L31 HydrophobicContact CG2-CB 4.34Å; I21-L31 HydrophobicContact CG2-CD1 4.01Å; I21-A34 HydrophobicContact CD1-CB 3.64Å; I21-A34 HydrophobicContact CG1-CB 4.41Å; I21-L147 HydrophobicContact CD1-CD2 4.47Å; I21-F150 HydrophobicContact CB-CB 3.96Å; I21-F150 HydrophobicContact CD1-CB 4.15Å; I21-F150 HydrophobicContact CD1-CD2 3.77Å; I21-F150 HydrophobicContact CD1-CG 4.26Å; I21-F150 HydrophobicContact CG2-CB 4.4Å; I21-P151 WeakPolarHBondContact CA-O 3.32Å
22	I	89.2	Confident	87.4	Confident	56 Å²	56	49.1 Å²	49.1	29%	0.287	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.6	177.1	-50.2	179.7	0	0	0	109	P151 N153	I22-P151 PolarHBondContact N-O 3.03Å; I22-N153 HydrophobicContact CD1-CB 3.9Å; I22-N153 HydrophobicContact CG1-CB 3.6Å
23	L	87.3	Confident	87.4	Confident	4 Å²	4	47 Å²	47	2%	0.021	27%	0.273	C	S	.	.			trans	-80.3	156.4	172.6	-59	-180	0	0	0	110.5	I21 C25 S26 H27 I29 C133 L140 F150	I21-L23 HydrophobicContact CD1-CD2 4.42Å; L23-C25 PolarHBondContact O-N 3.29Å; L23-S26 WeakPolarHBondContact O-CA 3.42Å; L23-S26 PolarHBondContact O-N 3.07Å; L23-H27 WeakPolarHBondContact CB-O 3.14Å; L23-H27 PolarHBondContact N-O 3.45Å; L23-I29 HydrophobicContact CD1-CG2 4.29Å; L23-I29 HydrophobicContact CD2-CG2 4.15Å; L23-I29 HydrophobicContact CG-CG2 4.21Å; L23-C133 HydrophobicContact CD1-CB 3.78Å; L23-L140 HydrophobicContact CB-CD1 4.02Å; L23-L140 HydrophobicContact CD1-CD1 4.39Å; L23-L140 HydrophobicContact CD2-CD1 4.07Å; L23-L140 HydrophobicContact CG-CD1 4.39Å; L23-F150 HydrophobicContact CD2-CE2 4.37Å; L23-F150 HydrophobicContact CD2-CZ 4.39Å
24	P	82.4	Confident	87.3	Confident	90 Å²	90	44.2 Å²	44.2	58%	0.584	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.6	175.6	-28.7	38.2	0	0	0	115	S26 L140 F150	P24-S26 PolarHBondContact O-N 2.65Å; P24-L140 HydrophobicContact CB-CD2 4.03Å; P24-L140 HydrophobicContact CG-CD1 4.37Å; P24-L140 HydrophobicContact CG-CD2 3.88Å; P24-F150 HydrophobicContact CG-CE1 4Å
25	C	86.8	Confident	87.3	Confident	24 Å²	24	48.7 Å²	48.7	16%	0.162	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	9.2	170.4	59.5	0	0	0	0	113.9	L23 H27 C136	L23-C25 PolarHBondContact O-N 3.29Å; C25-H27 PolarHBondContact O-N 3.18Å; C25-C136 VanDerWaalsContact CB-SG 3.55Å
26	S	87.6	Confident	87.1	Confident	97 Å²	97	51.9 Å²	51.9	68%	0.678	27%	0.267	S	S	*	.	S	Bend	trans	67.9	-0.6	-177.4	-52.5	0	0	0	0	116.3	L23 P24	L23-S26 WeakPolarHBondContact O-CA 3.42Å; L23-S26 PolarHBondContact O-N 3.07Å; P24-S26 PolarHBondContact O-N 2.65Å
27	H	89.8	Confident	86.9	Confident	60 Å²	60	52.2 Å²	52.2	28%	0.278	27%	0.27	S	S	.	.			trans	-78.3	156.4	172.7	-68.4	114.3	0	0	0	112.4	L23 C25 Q135	L23-H27 WeakPolarHBondContact CB-O 3.14Å; L23-H27 PolarHBondContact N-O 3.45Å; C25-H27 PolarHBondContact O-N 3.18Å; H27-Q135 VanDerWaalsContact CB-OE1 3.26Å; H27-Q135 PolarHBondContact CD2-OE1 2.72Å; H27-Q135 VanDerWaalsContact CG-OE1 3.3Å
28	N	90.7	Very high	86.7	Confident	31 Å²	31	54.2 Å²	54.2	17%	0.166	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.8	-174.4	-58.8	-90.7	0	0	0	110.9	Y17 I21 N153 L156	Y17-N28 HydrophobicContact CD1-CB 4.47Å; Y17-N28 VanDerWaalsContact CE1-C 3.48Å; Y17-N28 HydrophobicContact CE1-CB 3.75Å; Y17-N28 VanDerWaalsContact CE1-O 3.25Å; Y17-N28 WeakPolarHBondContact CE1-O 3.34Å; Y17-N28 HydrophobicContact CE2-CB 4.41Å; Y17-N28 PolarHBondContact OH-O 2.93Å; I21-N28 WeakPolarHBondContact O-CA 3.43Å; N28-N153 PolarHBondContact OD1-ND2 2.8Å; N28-L156 HydrophobicContact CB-CD2 3.67Å
29	I	90.9	Very high	86.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143	174.6	-175.5	169.7	0	0	0	109.5	V12 P20 I21 L23 C33 A34 I37	V12-I29 HydrophobicContact CB-CD1 4.46Å; V12-I29 HydrophobicContact CG2-CD1 3.51Å; V12-I29 HydrophobicContact CG2-CG1 4.11Å; P20-I29 CarbonylContact C-O 3.55Å; P20-I29 WeakPolarHBondContact CA-O 3.45Å; I21-I29 HydrophobicContact CD1-CG2 3.94Å; I21-I29 HydrophobicContact CG1-CG2 3.58Å; I21-I29 WeakPolarHBondContact CG1-O 3.38Å; I21-I29 PolarHBondContact N-O 3.48Å; I21-I29 PolarHBondContact O-N 3.4Å; L23-I29 HydrophobicContact CD1-CG2 4.29Å; L23-I29 HydrophobicContact CD2-CG2 4.15Å; L23-I29 HydrophobicContact CG-CG2 4.21Å; I29-C33 HydrophobicContact CD1-CB 3.99Å; I29-C33 HydrophobicContact CG1-CB 3.71Å; I29-A34 HydrophobicContact CD1-CB 4.2Å; I29-A34 HydrophobicContact CG1-CB 4.36Å; I29-A34 HydrophobicContact CG2-CB 3.92Å; I29-I37 HydrophobicContact CD1-CD1 3.41Å; I29-I37 VanDerWaalsContact CD1-CD1 3.41Å; I29-I37 HydrophobicContact CD1-CG1 4.06Å
30	C	91	Very high	85.5	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	139.3	172.8	-61.1	0	0	0	0	110.2	C10 R18 A32 C33 A34	C10-C30 VanDerWaalsContact CB-SG 3.52Å; C10-C30 VanDerWaalsContact SG-SG 3.68Å; R18-C30 PolarHBondContact N-SG 2.83Å; R18-C30 WeakPolarHBondContact O-CB 3.12Å; C30-A32 PolarHBondContact O-N 2.86Å; C30-C33 HydrophobicContact CB-CB 4.03Å; C30-C33 WeakPolarHBondContact O-CA 3.25Å; C30-C33 WeakPolarHBondContact O-CB 3.34Å; C30-C33 PolarHBondContact O-N 2.99Å; C30-A34 PolarHBondContact O-N 3.37Å
31	L	86.5	Confident	83.7	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-54	-39.9	179.3	179.9	62.4	0	0	0	112.8	E19 I21 A34 R35 L147	E19-L31 HydrophobicContact CB-CB 4.3Å; E19-L31 WeakPolarHBondContact O-CB 3.28Å; E19-L31 PolarHBondContact O-N 3.5Å; I21-L31 HydrophobicContact CG2-CB 4.34Å; I21-L31 HydrophobicContact CG2-CD1 4.01Å; L31-A34 PolarHBondContact O-N 2.89Å; L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.29Å; L31-R35 VanDerWaalsContact O-N 3.13Å; L31-L147 HydrophobicContact CD1-CB 4.26Å
32	A	86.1	Confident	81.6	Confident	60 Å²	60	57.3 Å²	57.3	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-41	175.5	0	0	0	0	0	112.5	C30 R35 N36	C30-A32 PolarHBondContact O-N 2.86Å; A32-R35 PolarHBondContact O-N 2.82Å; A32-N36 PolarHBondContact O-N 3.22Å; A32-N36 PolarHBondContact O-OD1 2.85Å
33	C	88.3	Confident	79.3	Confident	12 Å²	12	62.7 Å²	62.7	8%	0.081	35%	0.347	C	S	.	.	H	α-helix	trans	-66.2	-40.4	176.2	-66.8	0	0	0	0	111.6	V12 I29 C30 R35 N36 I37	V12-C33 HydrophobicContact CB-CB 3.81Å; V12-C33 HydrophobicContact CG1-CB 3.84Å; V12-C33 HydrophobicContact CG2-CB 4.35Å; I29-C33 HydrophobicContact CD1-CB 3.99Å; I29-C33 HydrophobicContact CG1-CB 3.71Å; C30-C33 HydrophobicContact CB-CB 4.03Å; C30-C33 WeakPolarHBondContact O-CA 3.25Å; C30-C33 WeakPolarHBondContact O-CB 3.34Å; C30-C33 PolarHBondContact O-N 2.99Å; C33-R35 VanDerWaalsContact C-N 3.29Å; C33-R35 PolarHBondContact O-N 2.65Å; C33-N36 PolarHBondContact O-N 2.65Å; C33-N36 VanDerWaalsContact O-N 3.11Å; C33-I37 PolarHBondContact O-N 2.99Å
34	A	85.9	Confident	76.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-37.7	176.4	0	0	0	0	0	112.3	I21 I29 C30 L31 N36 I37 L38 I131 L147	I21-A34 HydrophobicContact CD1-CB 3.64Å; I21-A34 HydrophobicContact CG1-CB 4.41Å; I29-A34 HydrophobicContact CD1-CB 4.2Å; I29-A34 HydrophobicContact CG1-CB 4.36Å; I29-A34 HydrophobicContact CG2-CB 3.92Å; C30-A34 PolarHBondContact O-N 3.37Å; L31-A34 PolarHBondContact O-N 2.89Å; A34-N36 VanDerWaalsContact C-N 3.31Å; A34-N36 PolarHBondContact O-N 2.95Å; A34-I37 PolarHBondContact O-N 2.94Å; A34-L38 PolarHBondContact O-N 3.49Å; A34-I131 HydrophobicContact CB-CD1 3.76Å; A34-L147 HydrophobicContact CB-CD1 4.03Å; A34-L147 HydrophobicContact CB-CD2 4.14Å
35	R	84.3	Confident	74.4	Confident	144 Å²	144	72 Å²	72	54%	0.543	40%	0.4	S	S	.	.	H	α-helix	trans	-62.7	-38.8	173.5	-72.5	174.1	-174	168.6	4.2	112.2	L31 A32 C33 L38 L147	L31-R35 WeakPolarHBondContact O-CG 3.47Å; L31-R35 PolarHBondContact O-N 3.29Å; L31-R35 VanDerWaalsContact O-N 3.13Å; A32-R35 PolarHBondContact O-N 2.82Å; C33-R35 VanDerWaalsContact C-N 3.29Å; C33-R35 PolarHBondContact O-N 2.65Å; R35-L38 WeakPolarHBondContact O-CB 3.45Å; R35-L147 HydrophobicContact CB-CD1 4.15Å; R35-L147 HydrophobicContact CG-CD1 3.58Å
36	N	83.4	Confident	71.8	Confident	136 Å²	136	76.3 Å²	76.3	73%	0.727	43%	0.43	S	S	*	.	H	α-helix	trans	-74	-25.8	-176.8	-67.6	-7.8	0	0	0	113.4	A32 C33 A34	A32-N36 PolarHBondContact O-N 3.22Å; A32-N36 PolarHBondContact O-OD1 2.85Å; C33-N36 PolarHBondContact O-N 2.65Å; C33-N36 VanDerWaalsContact O-N 3.11Å; A34-N36 VanDerWaalsContact C-N 3.31Å; A34-N36 PolarHBondContact O-N 2.95Å
37	I	84	Confident	69.4	Low	52 Å²	52	77.6 Å²	77.6	27%	0.267	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	10.7	179.2	68.1	165.2	0	0	0	113	V12 I29 C33 A34 I131	V12-I37 HydrophobicContact CG1-CG2 4.15Å; V12-I37 HydrophobicContact CG2-CD1 4.43Å; I29-I37 HydrophobicContact CD1-CD1 3.41Å; I29-I37 VanDerWaalsContact CD1-CD1 3.41Å; I29-I37 HydrophobicContact CD1-CG1 4.06Å; C33-I37 PolarHBondContact O-N 2.99Å; A34-I37 PolarHBondContact O-N 2.94Å; I37-I131 HydrophobicContact CD1-CD1 3.97Å; I37-I131 HydrophobicContact CD1-CG1 3.89Å; I37-I131 HydrophobicContact CG1-CD1 3.92Å; I37-I131 HydrophobicContact CG1-CG1 3.98Å
38	L	81.6	Confident	66.6	Low	53 Å²	53	83.9 Å²	83.9	28%	0.277	47%	0.465	S	S	.	.			trans	-73.4	126.5	178.3	-174.5	64.8	0	0	0	110.2	A34 R35 I131 L142 L147	A34-L38 PolarHBondContact O-N 3.49Å; R35-L38 WeakPolarHBondContact O-CB 3.45Å; L38-I131 HydrophobicContact CD1-CB 4.5Å; L38-L142 HydrophobicContact CD1-CD1 3.34Å; L38-L142 HydrophobicContact CD1-CG 4.21Å; L38-L142 HydrophobicContact CD2-CD1 4.37Å; L38-L142 HydrophobicContact CG-CD1 4.5Å; L38-L147 HydrophobicContact CD2-CD1 4.47Å
39	V	77.1	Confident	63.9	Low	45 Å²	45	87.8 Å²	87.8	27%	0.273	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.6	177.8	-176	0	0	0	0	109.5	S129 C130	V39-S129 WeakPolarHBondContact O-CA 3.26Å; V39-C130 PolarHBondContact N-O 3.08Å; V39-C130 PolarHBondContact O-N 3.18Å
40	Q	64.4	Low	61.1	Low	116 Å²	116	93.5 Å²	93.5	54%	0.542	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.4	172.1	-67.9	-179	-9.7	0	0	109.2
41	T	52.8	Low	58.1	Low	81 Å²	81	104.7 Å²	104.7	50%	0.497	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-95.3	128	172.4	47.5	0	0	0	0	110.3	N128	T41-N128 PolarHBondContact OG1-O 3.16Å
42	P	43.6	Very low	55.4	Low	121 Å²	121	109 Å²	109	79%	0.786	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-66.9	141.8	170.6	-14.3	28	0	0	0	111.4	A44	P42-A44 PolarHBondContact O-N 3.34Å
43	E	41.7	Very low	52.8	Low	168 Å²	168	112.3 Å²	112.3	79%	0.785	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-68.7	119	172.8	-70.4	179.2	159.5	0	0	110
44	A	35.4	Very low	49.9	Very low	98 Å²	98	114.9 Å²	114.9	81%	0.81	66%	0.662	S	S	*	*			trans	-143.7	142.6	171.3	0	0	0	0	0	111	P42	P42-A44 PolarHBondContact O-N 3.34Å
45	E	30.8	Very low	47.3	Very low	192 Å²	192	121 Å²	121	90%	0.897	71%	0.705	S	S	*	*			trans	-64.6	146	-159.7	-63.1	159.3	134.7	0	0	115.4
46	S	32.9	Very low	44.6	Very low	115 Å²	115	117.9 Å²	117.9	80%	0.804	72%	0.718	S	S	*	*			trans	-81.6	133.3	175.1	46.8	0	0	0	0	113.1
47	P	36.4	Very low	42	Very low	123 Å²	123	118.4 Å²	118.4	80%	0.799	73%	0.725	S	S	*	*			trans	-107.3	114.4	162.8	12.4	7.9	0	0	0	113.4
48	Q	30.9	Very low	39.5	Very low	192 Å²	192	121.6 Å²	121.6	90%	0.897	75%	0.753	S	S	*	*			trans	13.4	137.6	141.5	-64	178.7	-26.1	0	0	122.5
49	S	33.6	Very low	37.1	Very low	114 Å²	114	125.8 Å²	125.8	80%	0.797	78%	0.775	S	S	*	*			trans	-74.1	138.2	168.6	103.7	0	0	0	0	112.1
50	S	31.4	Very low	34.9	Very low	120 Å²	120	133 Å²	133	84%	0.839	80%	0.799	S	S	*	*			trans	-132	113.4	157.9	46.8	0	0	0	0	110
51	R	29.3	Very low	33.3	Very low	241 Å²	241	133.8 Å²	133.8	91%	0.909	81%	0.807	S	S	*	*			trans	-84.4	137.1	165.5	-76.6	176	167.2	163.9	-4.4	108.6
52	A	28.7	Very low	32.2	Very low	106 Å²	106	139.1 Å²	139.1	88%	0.876	82%	0.819	S	S	*	*			trans	-151.8	135.3	148.4	0	0	0	0	0	109.9
53	S	31.6	Very low	31.8	Very low	130 Å²	130	139.8 Å²	139.8	91%	0.909	82%	0.816	S	S	*	*			trans	-91.2	165.3	-170.5	-51.6	0	0	0	0	113
54	G	29	Very low	31.3	Very low	65 Å²	65	139.1 Å²	139.1	67%	0.67	82%	0.817	S	S	*	*			trans	137.5	95.8	161.3	0	0	0	0	0	110.9
55	S	29.6	Very low	31.2	Very low	129 Å²	129	141.4 Å²	141.4	90%	0.902	82%	0.815	S	S	*	*				98.6	126.4	85.4	60	0	0	0	0	111.1
56	G	29	Very low	31.2	Very low	78 Å²	78	139.8 Å²	139.8	80%	0.804	81%	0.813	S	S	*	*			trans	142.4	97.2	163.9	0	0	0	0	0	114.8
57	V	29.3	Very low	31.1	Very low	147 Å²	147	143.8 Å²	143.8	89%	0.891	82%	0.816	S	S	*	*			trans	-37.6	137.3	166.1	-173.6	0	0	0	0	114.5
58	S	31.3	Very low	30.9	Very low	120 Å²	120	146.9 Å²	146.9	84%	0.839	82%	0.822	S	S	*	*			trans	-160.1	112	147.3	66.6	0	0	0	0	111.1
59	D	30.2	Very low	30.8	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	82%	0.817	S	S	*	*			trans	-132.2	151.5	161.5	-156.7	7.5	0	0	0	107.2
60	Y	30.5	Very low	30.7	Very low	197 Å²	197	145.2 Å²	145.2	77%	0.773	82%	0.818	S	S	*	*			trans	96	100.8	-173.4	-59.3	-73.6	0	0	0	119
61	D	31.8	Very low	30.7	Very low	131 Å²	131	150.2 Å²	150.2	70%	0.701	82%	0.82	S	S	*	*				93.1	126	115.6	-79.1	-15.5	0	0	0	124.7
62	Y	30.3	Very low	30.8	Very low	193 Å²	193	143.5 Å²	143.5	76%	0.757	81%	0.81	S	S	*	*			trans	81.2	122.3	133.4	-100	-119.4	0	0	0	123.2
63	L	34.3	Very low	30.8	Very low	136 Å²	136	147.2 Å²	147.2	71%	0.712	81%	0.81	S	S	*	*			trans	54.8	135	145.4	-56.5	176.4	0	0	0	120.6
64	D	30.8	Very low	30.7	Very low	154 Å²	154	145.4 Å²	145.4	82%	0.824	80%	0.802	S	S	*	*				-171.3	156.4	97.6	-148.7	1.6	0	0	0	113.2
65	L	32.7	Very low	30.4	Very low	146 Å²	146	149.3 Å²	149.3	76%	0.764	81%	0.808	S	S	*	*			trans	-77	163.6	-169.4	-85	132.1	0	0	0	116.4
66	D	32.4	Very low	30.3	Very low	158 Å²	158	148.1 Å²	148.1	85%	0.845	80%	0.8	S	S	*	*			trans	-45.7	142.9	169.2	-80.3	-44.6	0	0	0	116.1
67	K	31.1	Very low	30.3	Very low	199 Å²	199	148.1 Å²	148.1	87%	0.865	80%	0.8	S	S	*	*			trans	-130.9	98.7	159.7	-165.6	177.7	-175.4	-179.5	0	110.1
68	M	31.4	Very low	30.2	Very low	188 Å²	188	153 Å²	153	93%	0.926	80%	0.804	S	S	*	*			trans	-74	145	160.4	-90.6	169.7	168.4	0	0	110.3
69	S	28.9	Very low	30	Very low	115 Å²	115	151 Å²	151	80%	0.804	80%	0.802	S	S	*	*			trans	-130.7	129.3	171.6	-156.3	0	0	0	0	109.7
70	L	31.3	Very low	29.8	Very low	155 Å²	155	149.1 Å²	149.1	81%	0.812	80%	0.8	S	S	*	*			trans	-73.1	153	175.1	-72.7	149.5	0	0	0	111.6
71	Y	31.2	Very low	29.6	Very low	225 Å²	225	150.4 Å²	150.4	88%	0.882	81%	0.805	S	S	*	*				-171.1	139.2	118.6	-91.3	-69.9	0	0	0	111.7
72	S	30.9	Very low	29.4	Very low	101 Å²	101	147.9 Å²	147.9	71%	0.706	81%	0.81	S	S	*	*			trans	-39.5	175.3	168.7	-36	0	0	0	0	117.2
73	E	29.2	Very low	29.1	Very low	184 Å²	184	142 Å²	142	86%	0.86	81%	0.808	S	S	*	*			cis	-159.9	163.2	21.9	-68.7	-174.4	117.8	0	0	111.2
74	A	29.1	Very low	28.6	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	82%	0.817	S	S	*	*			trans	65.1	118.7	134	0	0	0	0	0	124.1
75	D	23.2	Very low	28.4	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	81%	0.812	S	S	*	*				89.3	137	115.6	-157	38.8	0	0	0	122.5
76	S	28.6	Very low	28.2	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	81%	0.814	S	S	*	*			trans	66.2	132	150.9	-77.7	0	0	0	0	121.8
77	G	28.4	Very low	28	Very low	78 Å²	78	138.9 Å²	138.9	80%	0.804	81%	0.809	S	S	*	*			trans	151.4	82.9	149.3	0	0	0	0	0	117.9
78	Y	27.3	Very low	28	Very low	248 Å²	248	135.5 Å²	135.5	97%	0.973	81%	0.807	S	S	*	*			trans	-58.7	136	159.7	-153.7	-99.5	0	0	0	110.8
79	G	27	Very low	27.9	Very low	78 Å²	78	133 Å²	133	80%	0.804	80%	0.803	S	S	*	*			trans	-173.7	103.6	176.7	0	0	0	0	0	114.3
80	S	25.4	Very low	27.9	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	80%	0.804	S	S	*	*			trans	-90.9	164.7	180	-144.7	0	0	0	0	112.3
81	Y	26.8	Very low	27.9	Very low	225 Å²	225	131.9 Å²	131.9	88%	0.882	80%	0.8	S	S	*	*			trans	79.1	108.3	160.4	-94.8	-103.6	0	0	0	120.9
82	G	26.5	Very low	27.7	Very low	77 Å²	77	127.6 Å²	127.6	79%	0.794	80%	0.801	S	S	*	*				95	110.5	104	0	0	0	0	0	119.8
83	G	24.6	Very low	27.7	Very low	70 Å²	70	131.8 Å²	131.8	72%	0.722	81%	0.81	S	S	*	*				112.6	113.7	126.5	0	0	0	0	0	120.2
84	F	23.8	Very low	27.8	Very low	204 Å²	204	133 Å²	133	90%	0.895	81%	0.812	S	S	*	*			trans	94.9	116.1	136.2	-86.8	-94	0	0	0	122.6
85	V	25.6	Very low	27.8	Very low	121 Å²	121	133.5 Å²	133.5	73%	0.733	81%	0.81	S	S	*	*			trans	64.4	115.9	149.9	-141.2	0	0	0	0	120.7
86	S	29.4	Very low	28.2	Very low	115 Å²	115	132.2 Å²	132.2	80%	0.804	81%	0.81	S	S	*	*				167.9	151.4	105.7	-71.1	0	0	0	0	113.6
87	A	28.9	Very low	28.5	Very low	89 Å²	89	133.9 Å²	133.9	74%	0.736	81%	0.811	S	S	*	*			trans	-55.7	159.9	-171.8	0	0	0	0	0	116.6
88	P	30.1	Very low	29.1	Very low	127 Å²	127	134 Å²	134	83%	0.825	81%	0.811	S	S	*	*			trans	-83.2	130.2	-171.4	32.6	-32.3	0	0	0	112.8
89	T	29.6	Very low	29.4	Very low	136 Å²	136	127.4 Å²	127.4	83%	0.834	80%	0.796	S	S	*	*			trans	-91	104.5	164.5	36.9	0	0	0	0	109.6
90	T	29	Very low	29.8	Very low	134 Å²	134	133.9 Å²	133.9	82%	0.822	80%	0.797	S	S	*	*			trans	-67.3	128.1	168.5	-3	0	0	0	0	110.2
91	P	30.7	Very low	30.2	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	80%	0.798	S	S	*	*			trans	-81.5	127.2	177.4	-3	20.1	0	0	0	111.5	Q93	P91-Q93 PolarHBondContact O-N 2.72Å
92	C	26.9	Very low	30.5	Very low	135 Å²	135	132.4 Å²	132.4	91%	0.912	79%	0.792	S	S	*	*			trans	-62	113.8	165.1	-83.3	0	0	0	0	110.5
93	Q	31.6	Very low	30.8	Very low	190 Å²	190	133.9 Å²	133.9	89%	0.888	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-96.9	133.1	162.3	-71.5	-158	-17.7	0	0	110.8	P91	P91-Q93 PolarHBondContact O-N 2.72Å
94	K	30.6	Very low	31.2	Very low	208 Å²	208	136.2 Å²	136.2	90%	0.904	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.3	134.4	-175.7	-65.7	170	178.5	173.9	0	110.6
95	S	30	Very low	31.5	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-80.4	144	168	175.4	0	0	0	0	110.5	N97	S95-N97 VanDerWaalsContact C-N 3.31Å; S95-N97 PolarHBondContact O-N 3.42Å
96	P	31.4	Very low	31.8	Very low	121 Å²	121	132 Å²	132	79%	0.786	79%	0.792	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-3.5	-161.1	-12.8	29.5	0	0	0	116
97	N	35.6	Very low	32.1	Very low	139 Å²	139	131.9 Å²	131.9	74%	0.743	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	25	-167	-75	-6.9	0	0	0	115.9	S95 V99	S95-N97 VanDerWaalsContact C-N 3.31Å; S95-N97 PolarHBondContact O-N 3.42Å; N97-V99 VanDerWaalsContact C-N 3.26Å; N97-V99 PolarHBondContact O-N 2.76Å
98	G	39.3	Very low	32	Very low	79 Å²	79	136.5 Å²	136.5	81%	0.814	80%	0.795	S	S	*	*			trans	61.3	16	156.8	0	0	0	0	0	118.7
99	V	34.9	Very low	32.2	Very low	110 Å²	110	136 Å²	136	67%	0.667	79%	0.792	S	S	*	*			trans	-94.3	119.1	175.6	-179.6	0	0	0	0	110.1	N97	N97-V99 VanDerWaalsContact C-N 3.26Å; N97-V99 PolarHBondContact O-N 2.76Å
100	R	36	Very low	32.3	Very low	214 Å²	214	133 Å²	133	81%	0.808	79%	0.787	S	S	*	*			trans	-84.8	119.8	173.9	-68.7	-174.4	178.9	-156.2	0.8	110
101	V	33.5	Very low	32.6	Very low	123 Å²	123	132 Å²	132	75%	0.745	78%	0.783	S	S	*	*			trans	-92.3	114.2	168.8	-173.5	0	0	0	0	107.5
102	F	32	Very low	32.5	Very low	173 Å²	173	134.8 Å²	134.8	76%	0.759	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-77.9	137.5	173.3	-82.7	-85.9	0	0	0	110.2
103	P	33.9	Very low	32.6	Very low	109 Å²	109	135.4 Å²	135.4	71%	0.708	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-69.1	152.4	178.7	27.8	-32.9	0	0	0	111.6	A105	P103-A105 PolarHBondContact O-N 3.43Å
104	P	32	Very low	32.5	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-65.8	129	177.7	26.1	-31.4	0	0	0	110.6	V106	P104-V106 PolarHBondContact O-N 3.13Å
105	A	30.4	Very low	32.5	Very low	104 Å²	104	131 Å²	131	86%	0.86	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-67.3	116.3	173.7	0	0	0	0	0	110.1	P103	P103-A105 PolarHBondContact O-N 3.43Å
106	V	32.5	Very low	32.6	Very low	133 Å²	133	133.6 Å²	133.6	81%	0.806	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-90.1	132.1	168.9	-178.6	0	0	0	0	108.3	P104	P104-V106 PolarHBondContact O-N 3.13Å
107	P	34.7	Very low	32.9	Very low	111 Å²	111	133.9 Å²	133.9	72%	0.721	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-93.2	139	-169.6	33.9	-31.7	0	0	0	112.7
108	Q	27.4	Very low	32.5	Very low	187 Å²	187	135.6 Å²	135.6	87%	0.874	77%	0.772	S	S	*	*			trans	-165.5	162	152.3	-71.7	-154.1	-25.8	0	0	110.7
109	P	34.6	Very low	32.8	Very low	116 Å²	116	137 Å²	137	75%	0.753	77%	0.767	S	S	*	*				-119.8	164	-56.2	32.8	-17	0	0	0	111.2
110	G	30.6	Very low	32.9	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	77%	0.772	S	S	*	*			trans	-67.5	166.9	172.4	0	0	0	0	0	113.3
111	P	36.6	Very low	33	Very low	114 Å²	114	131.5 Å²	131.5	74%	0.74	77%	0.772	S	S	*	*				-138.5	145.9	93.7	35.3	-21.8	0	0	0	115.8
112	Q	28.8	Very low	33.1	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.794	78%	0.78	S	S	*	*			trans	61.1	134	145.5	-67.4	176	-4.7	0	0	117.9
113	Q	29.2	Very low	33.5	Very low	149 Å²	149	130.7 Å²	130.7	70%	0.696	78%	0.777	S	S	*	*			cis	-161.9	141.8	4	-90.7	157.1	-13.7	0	0	102.8
114	H	28.5	Very low	34	Very low	152 Å²	152	131.3 Å²	131.3	70%	0.704	78%	0.781	S	S	*	*				174.2	139.5	86.8	-109.7	-73.1	0	0	0	109.6
115	L	31.2	Very low	34.6	Very low	153 Å²	153	131.5 Å²	131.5	80%	0.801	77%	0.774	S	S	*	*			trans	50.7	124.8	141.8	-63.3	162.2	0	0	0	121.9
116	L	32	Very low	35.5	Very low	158 Å²	158	130 Å²	130	83%	0.827	76%	0.755	S	S	*	*			trans	-35.7	159.7	162	-73.7	166.7	0	0	0	116.6
117	P	36.9	Very low	36.5	Very low	126 Å²	126	131.6 Å²	131.6	82%	0.818	75%	0.747	S	S	*	*			cis	-148.3	170.9	49.9	37.9	-14.8	0	0	0	120.4
118	H	26.7	Very low	37.7	Very low	175 Å²	175	130.4 Å²	130.4	81%	0.81	73%	0.734	S	S	*	*			trans	-60.1	-178.6	167.5	-111.7	-35.1	0	0	0	113.6
119	P	46.8	Very low	40	Very low	109 Å²	109	121.8 Å²	121.8	71%	0.708	69%	0.694	S	S	*	*			cis	-131.7	138.8	-49.7	29.2	-10.3	0	0	0	112.3
120	A	36.7	Very low	42.3	Very low	92 Å²	92	117.8 Å²	117.8	76%	0.76	67%	0.669	S	S	*	*			trans	179.5	145.6	151.1	0	0	0	0	0	111.7
121	S	37.9	Very low	45	Very low	116 Å²	116	114.4 Å²	114.4	81%	0.811	63%	0.634	S	S	*	*			trans	65	92.7	165.6	51.1	0	0	0	0	118.3
122	L	35.3	Very low	47.4	Very low	173 Å²	173	111.6 Å²	111.6	91%	0.906	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-73.7	133.8	150	-84	155.4	0	0	0	108.6
123	P	40.6	Very low	50.2	Low	107 Å²	107	103.5 Å²	103.5	70%	0.695	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-71.8	154.6	-177	28	-32.4	0	0	0	112.3
124	P	44.3	Very low	52.9	Low	122 Å²	122	98.6 Å²	98.6	79%	0.792	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-65.5	143.3	179.2	26.8	-32	0	0	0	111.4
125	I	44.8	Very low	55.7	Low	122 Å²	122	95.4 Å²	95.4	63%	0.626	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-61.4	127.5	174	-59.2	170	0	0	0	108
126	P	49.3	Very low	58.5	Low	72 Å²	72	90.6 Å²	90.6	47%	0.468	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-68	139	-179.1	25.1	-31.6	0	0	0	111.3	N128	P126-N128 PolarHBondContact O-N 3.48Å
127	R	54	Low	61.2	Low	168 Å²	168	90 Å²	90	63%	0.634	51%	0.514	S	S	*	.	S	Bend	trans	-59.1	128.7	170.3	-59.3	178.5	-168.3	-87.4	5.3	106.8	D144	R127-D144 IonicContact CZ-OD1 3.41Å; R127-D144 VanDerWaalsContact NH1-CG 3.35Å; R127-D144 IonicContact NH1-OD1 2.94Å; R127-D144 PolarHBondContact NH1-OD1 3.35Å; R127-D144 IonicContact NH1-OD2 3.87Å; R127-D144 PolarHBondContact NH1-OD2 3.37Å
128	N	59.8	Low	63.7	Low	85 Å²	85	91.9 Å²	91.9	46%	0.455	51%	0.505	S	S	.	.			trans	102.2	40.2	-177.8	-46.9	-17.7	0	0	0	116.8	T41 P126	T41-N128 PolarHBondContact OG1-O 3.16Å; P126-N128 PolarHBondContact O-N 3.48Å
129	S	74.9	Confident	66.5	Low	6 Å²	6	87.3 Å²	87.3	4%	0.042	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.8	162.7	-58.6	0	0	0	0	110.7	V39 L142	V39-S129 WeakPolarHBondContact O-CA 3.26Å; S129-L142 WeakPolarHBondContact O-CB 3.39Å; S129-L142 WeakPolarHBondContact O-CG 3.3Å; S129-L142 PolarHBondContact O-N 3.08Å
130	C	83.5	Confident	68.1	Low	32 Å²	32	83.1 Å²	83.1	22%	0.216	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.6	177.5	75.5	0	0	0	0	113.3	V39 L140	V39-C130 PolarHBondContact N-O 3.08Å; V39-C130 PolarHBondContact O-N 3.18Å; C130-L140 CarbonylContact C-O 3.53Å; C130-L140 WeakPolarHBondContact CA-O 3.38Å; C130-L140 WeakPolarHBondContact CB-O 3.39Å
131	I	86.8	Confident	70.2	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.005	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.4	176	-173.1	168.4	0	0	0	110	A34 I37 L38 S139 L140 L142 L147 F150	A34-I131 HydrophobicContact CB-CD1 3.76Å; I37-I131 HydrophobicContact CD1-CD1 3.97Å; I37-I131 HydrophobicContact CD1-CG1 3.89Å; I37-I131 HydrophobicContact CG1-CD1 3.92Å; I37-I131 HydrophobicContact CG1-CG1 3.98Å; L38-I131 HydrophobicContact CD1-CB 4.5Å; I131-S139 CarbonylContact O-C 3.51Å; I131-L140 HydrophobicContact CG2-CB 3.92Å; I131-L140 HydrophobicContact CG2-CD1 4.17Å; I131-L140 PolarHBondContact N-O 2.84Å; I131-L140 WeakPolarHBondContact O-CB 3.42Å; I131-L140 PolarHBondContact O-N 3.27Å; I131-L142 HydrophobicContact CG2-CD2 3.95Å; I131-L147 HydrophobicContact CD1-CD2 4.05Å; I131-F150 HydrophobicContact CG2-CE2 4.31Å; I131-F150 HydrophobicContact CG2-CZ 4.35Å
132	T	86.8	Confident	72.1	Confident	55 Å²	55	80.6 Å²	80.6	34%	0.337	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.1	175.6	-55.4	0	0	0	0	109.9	P134 H137 S139	T132-P134 WeakPolarHBondContact O-CD 3.32Å; T132-H137 WeakPolarHBondContact CG2-O 3.16Å; T132-S139 PolarHBondContact OG1-OG 3.22Å
133	C	87.9	Confident	73.8	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	41%	0.405	C	S	.	.			trans	-63.9	124.2	176.6	178.5	0	0	0	0	110.2	L23 Q135 C136 H137 R138	L23-C133 HydrophobicContact CD1-CB 3.78Å; C133-Q135 PolarHBondContact O-N 3.43Å; C133-C136 VanDerWaalsContact SG-SG 3.64Å; C133-H137 WeakPolarHBondContact O-CA 3.23Å; C133-H137 PolarHBondContact O-N 3.33Å; C133-R138 PolarHBondContact N-O 3.43Å
134	P	86.9	Confident	75	Confident	46 Å²	46	76.8 Å²	76.8	30%	0.299	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.4	-178.8	28.5	-36	0	0	0	113.8	P11 V12 T132 H137	P11-P134 HydrophobicContact CB-CG 4.16Å; P11-P134 HydrophobicContact CG-CG 3.67Å; V12-P134 HydrophobicContact CG2-CB 4.39Å; V12-P134 HydrophobicContact CG2-CG 3.85Å; T132-P134 WeakPolarHBondContact O-CD 3.32Å; P134-H137 PolarHBondContact O-CE1 3.04Å
135	Q	87.2	Confident	76.1	Confident	85 Å²	85	77 Å²	77	40%	0.397	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-37.7	-177.8	-69.3	-179.7	-62.9	0	0	113.1	P11 H27 C133	P11-Q135 HydrophobicContact CB-CG 3.94Å; P11-Q135 HydrophobicContact CG-CG 3.83Å; H27-Q135 VanDerWaalsContact CB-OE1 3.26Å; H27-Q135 PolarHBondContact CD2-OE1 2.72Å; H27-Q135 VanDerWaalsContact CG-OE1 3.3Å; C133-Q135 PolarHBondContact O-N 3.43Å
136	C	90.3	Very high	77.7	Confident	53 Å²	53	71.8 Å²	71.8	36%	0.358	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	4.1	-179.3	69	0	0	0	0	114.4	C25 C133 R138	C25-C136 VanDerWaalsContact CB-SG 3.55Å; C133-C136 VanDerWaalsContact SG-SG 3.64Å; C136-R138 PolarHBondContact O-N 3.46Å
137	H	88.7	Confident	79	Confident	144 Å²	144	69.1 Å²	69.1	67%	0.667	35%	0.345	S	S	*	.			trans	58.9	16.5	177.5	-52.5	-61.5	0	0	0	115.9	T132 C133 P134	T132-H137 WeakPolarHBondContact CG2-O 3.16Å; C133-H137 WeakPolarHBondContact O-CA 3.23Å; C133-H137 PolarHBondContact O-N 3.33Å; P134-H137 PolarHBondContact O-CE1 3.04Å
138	R	87.6	Confident	79.9	Confident	166 Å²	166	71.6 Å²	71.6	63%	0.626	35%	0.354	S	S	*	.			trans	-77.9	123.2	176.2	-161.9	173.2	-158.4	166.1	6.5	111.2	C133 C136	C133-R138 PolarHBondContact N-O 3.43Å; C136-R138 PolarHBondContact O-N 3.46Å
139	S	85.6	Confident	80.5	Confident	79 Å²	79	69.2 Å²	69.2	55%	0.552	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	140	175.4	-55.6	0	0	0	0	111.9	I131 T132	I131-S139 CarbonylContact O-C 3.51Å; T132-S139 PolarHBondContact OG1-OG 3.22Å
140	L	82.1	Confident	80.8	Confident	22 Å²	22	70.4 Å²	70.4	12%	0.115	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.4	-174.3	-59.4	161.6	0	0	0	109.6	L23 P24 C130 I131	L23-L140 HydrophobicContact CB-CD1 4.02Å; L23-L140 HydrophobicContact CD1-CD1 4.39Å; L23-L140 HydrophobicContact CD2-CD1 4.07Å; L23-L140 HydrophobicContact CG-CD1 4.39Å; P24-L140 HydrophobicContact CB-CD2 4.03Å; P24-L140 HydrophobicContact CG-CD1 4.37Å; P24-L140 HydrophobicContact CG-CD2 3.88Å; C130-L140 CarbonylContact C-O 3.53Å; C130-L140 WeakPolarHBondContact CA-O 3.38Å; C130-L140 WeakPolarHBondContact CB-O 3.39Å; I131-L140 HydrophobicContact CG2-CB 3.92Å; I131-L140 HydrophobicContact CG2-CD1 4.17Å; I131-L140 PolarHBondContact N-O 2.84Å; I131-L140 WeakPolarHBondContact O-CB 3.42Å; I131-L140 PolarHBondContact O-N 3.27Å
141	I	79	Confident	80.6	Confident	138 Å²	138	72 Å²	72	71%	0.708	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.8	176.4	-56	172.9	0	0	0	108.3
142	L	79	Confident	80.4	Confident	16 Å²	16	76.9 Å²	76.9	8%	0.084	39%	0.386	C	S	.	.			trans	-84.5	142	178.7	-56.9	-168.9	0	0	0	111.3	L38 S129 I131 L147 F150	L38-L142 HydrophobicContact CD1-CD1 3.34Å; L38-L142 HydrophobicContact CD1-CG 4.21Å; L38-L142 HydrophobicContact CD2-CD1 4.37Å; L38-L142 HydrophobicContact CG-CD1 4.5Å; S129-L142 WeakPolarHBondContact O-CB 3.39Å; S129-L142 WeakPolarHBondContact O-CG 3.3Å; S129-L142 PolarHBondContact O-N 3.08Å; I131-L142 HydrophobicContact CG2-CD2 3.95Å; L142-L147 HydrophobicContact CD1-CD2 3.84Å; L142-L147 HydrophobicContact CD1-CG 4.01Å; L142-L147 HydrophobicContact CD2-CD2 4.25Å; L142-F150 HydrophobicContact CD2-CE2 3.39Å; L142-F150 HydrophobicContact CD2-CZ 3.55Å
143	D	70.4	Confident	80.3	Confident	79 Å²	79	75.6 Å²	75.6	42%	0.422	38%	0.377	S	S	.	.			trans	-77.8	179.8	170.7	68.5	-10.7	0	0	0	111.1	R145 G146	D143-R145 PolarHBondContact O-N 2.74Å; D143-R145 WeakPolarHBondContact OD1-CB 3.22Å; D143-R145 PolarHBondContact OD1-N 2.79Å; D143-R145 IonicContact OD2-CZ 3.77Å; D143-R145 IonicContact OD2-NE 2.61Å; D143-R145 PolarHBondContact OD2-NE 3.38Å; D143-R145 IonicContact OD2-NH2 2.65Å; D143-G146 PolarHBondContact O-N 2.86Å; D143-G146 PolarHBondContact OD1-N 2.82Å
144	D	65.4	Low	80	Confident	122 Å²	122	82.4 Å²	82.4	65%	0.652	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-13.7	178.4	-66.4	-20.7	0	0	0	112.9	R127	R127-D144 IonicContact CZ-OD1 3.41Å; R127-D144 VanDerWaalsContact NH1-CG 3.35Å; R127-D144 IonicContact NH1-OD1 2.94Å; R127-D144 PolarHBondContact NH1-OD1 3.35Å; R127-D144 IonicContact NH1-OD2 3.87Å; R127-D144 PolarHBondContact NH1-OD2 3.37Å
145	R	68.2	Low	79.8	Confident	127 Å²	127	85.2 Å²	85.2	48%	0.479	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-6	176.5	-62.2	-174.4	-75.8	-159.1	4.9	113.3	D143 R148 E236	D143-R145 PolarHBondContact O-N 2.74Å; D143-R145 WeakPolarHBondContact OD1-CB 3.22Å; D143-R145 PolarHBondContact OD1-N 2.79Å; D143-R145 IonicContact OD2-CZ 3.77Å; D143-R145 IonicContact OD2-NE 2.61Å; D143-R145 PolarHBondContact OD2-NE 3.38Å; D143-R145 IonicContact OD2-NH2 2.65Å; R145-R148 WeakPolarHBondContact O-CB 3.45Å; R145-R148 PolarHBondContact O-N 3.48Å; R145-E236 IonicContact CZ-OE1 3.56Å; R145-E236 IonicContact NH1-OE1 3.89Å; R145-E236 PolarHBondContact NH1-OE1 3.48Å; R145-E236 IonicContact NH2-OE1 2.75Å
146	G	78.6	Confident	79.7	Confident	11 Å²	11	82.1 Å²	82.1	11%	0.113	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	56.7	-145.1	176.9	0	0	0	0	0	112.8	D143 R148 G149	D143-G146 PolarHBondContact O-N 2.86Å; D143-G146 PolarHBondContact OD1-N 2.82Å; G146-R148 PolarHBondContact O-N 3.46Å; G146-R148 VanDerWaalsContact O-N 3.1Å; G146-G149 PolarHBondContact O-N 2.83Å; G146-G149 VanDerWaalsContact O-N 3.08Å
147	L	75.9	Confident	79.2	Confident	16 Å²	16	82.6 Å²	82.6	8%	0.084	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-65.5	-13.2	178.9	-63.8	175.7	0	0	0	114.1	I21 L31 A34 R35 L38 I131 L142 G149 F150	I21-L147 HydrophobicContact CD1-CD2 4.47Å; L31-L147 HydrophobicContact CD1-CB 4.26Å; A34-L147 HydrophobicContact CB-CD1 4.03Å; A34-L147 HydrophobicContact CB-CD2 4.14Å; R35-L147 HydrophobicContact CB-CD1 4.15Å; R35-L147 HydrophobicContact CG-CD1 3.58Å; L38-L147 HydrophobicContact CD2-CD1 4.47Å; I131-L147 HydrophobicContact CD1-CD2 4.05Å; L142-L147 HydrophobicContact CD1-CD2 3.84Å; L142-L147 HydrophobicContact CD1-CG 4.01Å; L142-L147 HydrophobicContact CD2-CD2 4.25Å; L147-G149 VanDerWaalsContact C-N 3.26Å; L147-F150 HydrophobicContact CD2-CD2 4.18Å; L147-F150 HydrophobicContact CD2-CE2 3.93Å
148	R	73.3	Confident	78.8	Confident	220 Å²	220	76.6 Å²	76.6	83%	0.83	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-75.4	-17.6	174.9	-63.6	-173.6	178.5	-143.3	2.8	112.3	R145 G146 F150	R145-R148 WeakPolarHBondContact O-CB 3.45Å; R145-R148 PolarHBondContact O-N 3.48Å; G146-R148 PolarHBondContact O-N 3.46Å; G146-R148 VanDerWaalsContact O-N 3.1Å; R148-F150 VanDerWaalsContact C-N 3.26Å; R148-F150 PolarHBondContact O-N 2.76Å
149	G	71.5	Confident	78.6	Confident	36 Å²	36	70.8 Å²	70.8	37%	0.371	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-71.7	-16.3	177.1	0	0	0	0	0	114.2	G146 L147	G146-G149 PolarHBondContact O-N 2.83Å; G146-G149 VanDerWaalsContact O-N 3.08Å; L147-G149 VanDerWaalsContact C-N 3.26Å
150	F	81.4	Confident	78.5	Confident	30 Å²	30	67.1 Å²	67.1	13%	0.132	34%	0.336	C	S	.	.	S	Bend	trans	-81.6	138.8	179.1	-65.6	-61.7	0	0	0	112.6	I21 L23 P24 I131 L142 L147 R148 K152	I21-F150 HydrophobicContact CB-CB 3.96Å; I21-F150 HydrophobicContact CD1-CB 4.15Å; I21-F150 HydrophobicContact CD1-CD2 3.77Å; I21-F150 HydrophobicContact CD1-CG 4.26Å; I21-F150 HydrophobicContact CG2-CB 4.4Å; L23-F150 HydrophobicContact CD2-CE2 4.37Å; L23-F150 HydrophobicContact CD2-CZ 4.39Å; P24-F150 HydrophobicContact CG-CE1 4Å; I131-F150 HydrophobicContact CG2-CE2 4.31Å; I131-F150 HydrophobicContact CG2-CZ 4.35Å; L142-F150 HydrophobicContact CD2-CE2 3.39Å; L142-F150 HydrophobicContact CD2-CZ 3.55Å; L147-F150 HydrophobicContact CD2-CD2 4.18Å; L147-F150 HydrophobicContact CD2-CE2 3.93Å; R148-F150 VanDerWaalsContact C-N 3.26Å; R148-F150 PolarHBondContact O-N 2.76Å; F150-K152 PolarHBondContact O-N 3.45Å
151	P	79.3	Confident	78.3	Confident	66 Å²	66	69.7 Å²	69.7	43%	0.429	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-60.3	131.3	175	-22.4	32.9	0	0	0	112	I21 I22	I21-P151 WeakPolarHBondContact CA-O 3.32Å; I22-P151 PolarHBondContact N-O 3.03Å
152	K	82.9	Confident	78.3	Confident	104 Å²	104	70.2 Å²	70.2	45%	0.452	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-75	125.9	171	-65.9	-168.9	177.6	-165.1	0	110.4	E19 P20 F150 R154	E19-K152 IonicContact OE1-NZ 2.73Å; E19-K152 PolarHBondContact OE1-NZ 3.05Å; P20-K152 CarbonylContact O-C 3.59Å; P20-K152 WeakPolarHBondContact O-CA 3.47Å; F150-K152 PolarHBondContact O-N 3.45Å; K152-R154 VanDerWaalsContact C-N 3.34Å; K152-R154 PolarHBondContact O-N 2.61Å
153	N	84.7	Confident	78.3	Confident	28 Å²	28	69.9 Å²	69.9	15%	0.15	34%	0.341	C	S	.	.			trans	-84	71.9	178.5	-161.4	-18.4	0	0	0	112.2	P20 I22 N28 V155 L156 E157	P20-N153 HydrophobicContact CB-CB 4.28Å; P20-N153 HydrophobicContact CG-CB 4Å; P20-N153 WeakPolarHBondContact CG-O 3.44Å; P20-N153 PolarHBondContact O-N 3.22Å; I22-N153 HydrophobicContact CD1-CB 3.9Å; I22-N153 HydrophobicContact CG1-CB 3.6Å; N28-N153 PolarHBondContact OD1-ND2 2.8Å; N153-V155 PolarHBondContact O-N 2.83Å; N153-V155 PolarHBondContact OD1-N 3.19Å; N153-L156 HydrophobicContact CB-CB 4.02Å; N153-L156 PolarHBondContact O-N 3.43Å; N153-L156 WeakPolarHBondContact OD1-CB 3.49Å; N153-L156 PolarHBondContact OD1-N 3.24Å; N153-E157 PolarHBondContact O-N 2.83Å
154	R	81.9	Confident	78.5	Confident	143 Å²	143	69.6 Å²	69.6	54%	0.54	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-23.3	176.4	-63.2	-175.1	-179.5	175.3	3	113	K152 G158	K152-R154 VanDerWaalsContact C-N 3.34Å; K152-R154 PolarHBondContact O-N 2.61Å; R154-G158 PolarHBondContact O-N 3.3Å
155	V	83.1	Confident	78.6	Confident	104 Å²	104	67.2 Å²	67.2	63%	0.63	32%	0.322	S	S	*	.	H	α-helix	trans	-68.8	-47.6	176.4	179.2	0	0	0	0	110	N153 G158 V159	N153-V155 PolarHBondContact O-N 2.83Å; N153-V155 PolarHBondContact OD1-N 3.19Å; V155-G158 CarbonylContact O-C 3.53Å; V155-G158 PolarHBondContact O-N 3.06Å; V155-V159 HydrophobicContact CG1-CG2 4.42Å; V155-V159 VanDerWaalsContact O-CG2 3.28Å; V155-V159 WeakPolarHBondContact O-CG2 3.47Å; V155-V159 PolarHBondContact O-N 3.4Å
156	L	84.5	Confident	78.5	Confident	20 Å²	20	64.4 Å²	64.4	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-61.9	-43	176.7	179.7	58.3	0	0	0	111.7	L8 Y17 P20 N28 N153 G158 V159 V160	L8-L156 HydrophobicContact CD2-CD1 3.8Å; Y17-L156 HydrophobicContact CD1-CD2 4.36Å; Y17-L156 HydrophobicContact CD2-CD1 4.25Å; Y17-L156 HydrophobicContact CD2-CD2 3.57Å; Y17-L156 HydrophobicContact CD2-CG 4.02Å; Y17-L156 HydrophobicContact CE2-CD2 3.83Å; Y17-L156 HydrophobicContact CG-CD2 3.84Å; Y17-L156 HydrophobicContact CG-CG 4.35Å; P20-L156 HydrophobicContact CB-CD2 4.04Å; P20-L156 HydrophobicContact CG-CB 4.22Å; P20-L156 HydrophobicContact CG-CD2 4.13Å; P20-L156 HydrophobicContact CG-CG 4.3Å; N28-L156 HydrophobicContact CB-CD2 3.67Å; N153-L156 HydrophobicContact CB-CB 4.02Å; N153-L156 PolarHBondContact O-N 3.43Å; N153-L156 WeakPolarHBondContact OD1-CB 3.49Å; N153-L156 PolarHBondContact OD1-N 3.24Å; L156-G158 VanDerWaalsContact C-N 3.34Å; L156-G158 PolarHBondContact O-N 3.5Å; L156-V159 WeakPolarHBondContact O-CB 3.43Å; L156-V159 PolarHBondContact O-N 2.82Å; L156-V159 VanDerWaalsContact O-N 3.1Å; L156-V160 HydrophobicContact CD1-CG2 4.42Å; L156-V160 WeakPolarHBondContact O-CG2 3.33Å; L156-V160 PolarHBondContact O-N 2.99Å
157	E	80.9	Confident	77.9	Confident	64 Å²	64	69.7 Å²	69.7	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-45.5	172.9	-171.7	168	-133.8	0	0	111.4	E19 P20 N153 V159 V160 D161	E19-E157 PolarHBondContact N-OE1 2.81Å; P20-E157 HydrophobicContact CG-CB 4.47Å; N153-E157 PolarHBondContact O-N 2.83Å; E157-V159 VanDerWaalsContact C-N 3.33Å; E157-V159 PolarHBondContact O-N 3.2Å; E157-V160 PolarHBondContact O-N 3.41Å; E157-D161 WeakPolarHBondContact O-CB 3.28Å; E157-D161 PolarHBondContact O-N 3.3Å
158	G	80	Confident	77.2	Confident	18 Å²	18	72 Å²	72	19%	0.186	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-28.6	173.8	0	0	0	0	0	114.5	R154 V155 L156 R162	R154-G158 PolarHBondContact O-N 3.3Å; V155-G158 CarbonylContact O-C 3.53Å; V155-G158 PolarHBondContact O-N 3.06Å; L156-G158 VanDerWaalsContact C-N 3.34Å; L156-G158 PolarHBondContact O-N 3.5Å; G158-R162 WeakPolarHBondContact O-CB 3.06Å; G158-R162 VanDerWaalsContact O-CG 3.27Å; G158-R162 WeakPolarHBondContact O-CG 3.49Å; G158-R162 VanDerWaalsContact O-CZ 3.31Å; G158-R162 PolarHBondContact O-N 3.1Å; G158-R162 PolarHBondContact O-NH1 2.91Å
159	V	83.3	Confident	76.4	Confident	43 Å²	43	64.4 Å²	64.4	26%	0.261	35%	0.347	S	S	.	.	H	α-helix	trans	-71.4	-46	172.5	173.5	0	0	0	0	110	L8 V155 L156 E157 D161 R162 Y163	L8-V159 HydrophobicContact CD2-CG1 3.74Å; V155-V159 HydrophobicContact CG1-CG2 4.42Å; V155-V159 VanDerWaalsContact O-CG2 3.28Å; V155-V159 WeakPolarHBondContact O-CG2 3.47Å; V155-V159 PolarHBondContact O-N 3.4Å; L156-V159 WeakPolarHBondContact O-CB 3.43Å; L156-V159 PolarHBondContact O-N 2.82Å; L156-V159 VanDerWaalsContact O-N 3.1Å; E157-V159 VanDerWaalsContact C-N 3.33Å; E157-V159 PolarHBondContact O-N 3.2Å; V159-D161 VanDerWaalsContact C-N 3.34Å; V159-D161 PolarHBondContact O-N 3.4Å; V159-R162 PolarHBondContact O-N 3.38Å; V159-Y163 VanDerWaalsContact O-CB 3.3Å; V159-Y163 WeakPolarHBondContact O-CB 3.34Å; V159-Y163 PolarHBondContact O-N 3.02Å
160	V	83.4	Confident	75.9	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.018	34%	0.342	C	S	.	.	H	α-helix	trans	-57	-48.6	173.8	167.9	0	0	0	0	110.1	L8 F16 L156 E157 R162 Y163 Q164	L8-V160 HydrophobicContact CB-CG2 4.17Å; L8-V160 HydrophobicContact CD2-CG2 4.05Å; F16-V160 HydrophobicContact CB-CG1 3.75Å; F16-V160 HydrophobicContact CD1-CG1 4.2Å; F16-V160 HydrophobicContact CG-CG1 4.19Å; L156-V160 HydrophobicContact CD1-CG2 4.42Å; L156-V160 WeakPolarHBondContact O-CG2 3.33Å; L156-V160 PolarHBondContact O-N 2.99Å; E157-V160 PolarHBondContact O-N 3.41Å; V160-R162 PolarHBondContact O-N 2.84Å; V160-Y163 PolarHBondContact O-N 3.41Å; V160-Q164 HydrophobicContact CG1-CG 4.15Å; V160-Q164 VanDerWaalsContact O-CB 3.28Å; V160-Q164 WeakPolarHBondContact O-CB 3.29Å; V160-Q164 VanDerWaalsContact O-CG 3.26Å; V160-Q164 WeakPolarHBondContact O-CG 3.41Å; V160-Q164 PolarHBondContact O-N 3.37Å
161	D	77.9	Confident	75.5	Confident	75 Å²	75	64.7 Å²	64.7	40%	0.401	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-45.3	176.9	-80.2	-17.8	0	0	0	111.6	E157 V159 Q165	E157-D161 WeakPolarHBondContact O-CB 3.28Å; E157-D161 PolarHBondContact O-N 3.3Å; V159-D161 VanDerWaalsContact C-N 3.34Å; V159-D161 PolarHBondContact O-N 3.4Å; D161-Q165 WeakPolarHBondContact O-CB 3.02Å; D161-Q165 WeakPolarHBondContact O-CG 3.13Å; D161-Q165 PolarHBondContact O-N 3.45Å; D161-Q165 PolarHBondContact O-NE2 2.82Å
162	R	78.6	Confident	75.6	Confident	150 Å²	150	66.6 Å²	66.6	57%	0.566	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-43	176.6	-77.6	-172.1	-58.7	-88	3.6	111.7	G158 V159 V160 Q165 S166	G158-R162 WeakPolarHBondContact O-CB 3.06Å; G158-R162 VanDerWaalsContact O-CG 3.27Å; G158-R162 WeakPolarHBondContact O-CG 3.49Å; G158-R162 VanDerWaalsContact O-CZ 3.31Å; G158-R162 PolarHBondContact O-N 3.1Å; G158-R162 PolarHBondContact O-NH1 2.91Å; V159-R162 PolarHBondContact O-N 3.38Å; V160-R162 PolarHBondContact O-N 2.84Å; R162-Q165 PolarHBondContact O-N 3.34Å; R162-S166 WeakPolarHBondContact O-CB 3.46Å; R162-S166 PolarHBondContact O-N 3.21Å; R162-S166 PolarHBondContact O-OG 3.22Å; R162-S166 VanDerWaalsContact O-OG 3.08Å
163	Y	78.9	Confident	75.6	Confident	9 Å²	9	61.8 Å²	61.8	4%	0.035	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-46.6	179	-179.5	-106	0	0	0	111.9	M1 M4 E5 L8 F16 V159 V160 Q165 S166 K167	M1-Y163 HydrophobicContact CG-CE2 4.14Å; M1-Y163 PolarHBondContact O-OH 3.02Å; M4-Y163 HydrophobicContact CE-CD2 3.07Å; M4-Y163 HydrophobicContact CE-CE2 3.33Å; M4-Y163 HydrophobicContact CE-CG 4.04Å; E5-Y163 HydrophobicContact CB-CE1 4.36Å; E5-Y163 WeakPolarHBondContact CB-OH 3.45Å; E5-Y163 HydrophobicContact CG-CE1 4.13Å; L8-Y163 HydrophobicContact CD1-CD1 3.44Å; L8-Y163 VanDerWaalsContact CD1-CD1 3.44Å; L8-Y163 HydrophobicContact CD1-CD2 4.01Å; L8-Y163 HydrophobicContact CD1-CE1 4.05Å; L8-Y163 HydrophobicContact CD1-CG 3.39Å; F16-Y163 AromaticContact CE1-CD1 3.83Å; F16-Y163 HydrophobicContact CE1-CD1 3.83Å; F16-Y163 AromaticContact CE1-CE1 3.83Å; F16-Y163 HydrophobicContact CE1-CE1 3.83Å; F16-Y163 HydrophobicContact CZ-CD1 4.13Å; F16-Y163 AromaticContact CZ-CE1 3.9Å; F16-Y163 HydrophobicContact CZ-CE1 3.9Å; V159-Y163 VanDerWaalsContact O-CB 3.3Å; V159-Y163 WeakPolarHBondContact O-CB 3.34Å; V159-Y163 PolarHBondContact O-N 3.02Å; V160-Y163 PolarHBondContact O-N 3.41Å; Y163-Q165 VanDerWaalsContact C-N 3.33Å; Y163-Q165 PolarHBondContact O-N 3.49Å; Y163-S166 WeakPolarHBondContact CA-OG 3.28Å; Y163-S166 PolarHBondContact O-N 3.44Å; Y163-S166 PolarHBondContact O-OG 3.2Å; Y163-K167 HydrophobicContact CE1-CD 4.39Å; Y163-K167 VanDerWaalsContact O-CB 3.29Å; Y163-K167 WeakPolarHBondContact O-CB 3.3Å; Y163-K167 PolarHBondContact O-N 3.29Å
164	Q	75.3	Confident	75.5	Confident	73 Å²	73	65.9 Å²	65.9	34%	0.341	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-38.2	174.7	-72.9	179.5	-15	0	0	111.3	F16 V160 K167 A168	F16-Q164 HydrophobicContact CD2-CG 4.26Å; F16-Q164 HydrophobicContact CE2-CG 4.31Å; F16-Q164 HydrophobicContact CG-CG 4.44Å; V160-Q164 HydrophobicContact CG1-CG 4.15Å; V160-Q164 VanDerWaalsContact O-CB 3.28Å; V160-Q164 WeakPolarHBondContact O-CB 3.29Å; V160-Q164 VanDerWaalsContact O-CG 3.26Å; V160-Q164 WeakPolarHBondContact O-CG 3.41Å; V160-Q164 PolarHBondContact O-N 3.37Å; Q164-K167 CarbonylContact O-C 3.58Å; Q164-K167 PolarHBondContact O-N 2.96Å; Q164-A168 WeakPolarHBondContact O-CA 3.5Å; Q164-A168 WeakPolarHBondContact O-CB 3.15Å; Q164-A168 PolarHBondContact O-N 3.4Å
165	Q	67.9	Low	75.5	Confident	72 Å²	72	62.8 Å²	62.8	34%	0.336	34%	0.339	S	S	.	.	H	α-helix	trans	-71.9	-34	176.5	-73.8	170.5	40.5	0	0	113.2	D161 R162 Y163 A168 A169	D161-Q165 WeakPolarHBondContact O-CB 3.02Å; D161-Q165 WeakPolarHBondContact O-CG 3.13Å; D161-Q165 PolarHBondContact O-N 3.45Å; D161-Q165 PolarHBondContact O-NE2 2.82Å; R162-Q165 PolarHBondContact O-N 3.34Å; Y163-Q165 VanDerWaalsContact C-N 3.33Å; Y163-Q165 PolarHBondContact O-N 3.49Å; Q165-A168 CarbonylContact O-C 3.56Å; Q165-A169 PolarHBondContact O-N 3.06Å
166	S	65.9	Low	75.6	Confident	68 Å²	68	59.5 Å²	59.5	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-69.5	-36.1	171.1	54.9	0	0	0	0	111.3	R162 Y163 A169	R162-S166 WeakPolarHBondContact O-CB 3.46Å; R162-S166 PolarHBondContact O-N 3.21Å; R162-S166 PolarHBondContact O-OG 3.22Å; R162-S166 VanDerWaalsContact O-OG 3.08Å; Y163-S166 WeakPolarHBondContact CA-OG 3.28Å; Y163-S166 PolarHBondContact O-N 3.44Å; Y163-S166 PolarHBondContact O-OG 3.2Å; S166-A169 VanDerWaalsContact O-CB 3.28Å; S166-A169 WeakPolarHBondContact O-CB 3.27Å
167	K	66.2	Low	75	Confident	121 Å²	121	67.2 Å²	67.2	53%	0.526	36%	0.356	S	S	.	.	H	α-helix	trans	-73	-32.2	174.5	-160.2	173.3	-174.1	177.8	0	112	E5 Y163 Q164 A169	E5-K167 IonicContact OE2-NZ 3.66Å; E5-K167 PolarHBondContact OE2-NZ 3.2Å; Y163-K167 HydrophobicContact CE1-CD 4.39Å; Y163-K167 VanDerWaalsContact O-CB 3.29Å; Y163-K167 WeakPolarHBondContact O-CB 3.3Å; Y163-K167 PolarHBondContact O-N 3.29Å; Q164-K167 CarbonylContact O-C 3.58Å; Q164-K167 PolarHBondContact O-N 2.96Å; K167-A169 VanDerWaalsContact C-N 3.3Å; K167-A169 PolarHBondContact O-N 3.19Å
168	A	60.4	Low	74.2	Confident	65 Å²	65	73.8 Å²	73.8	54%	0.537	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	19.3	177	0	0	0	0	0	113.7	Q164 Q165 A170	Q164-A168 WeakPolarHBondContact O-CA 3.5Å; Q164-A168 WeakPolarHBondContact O-CB 3.15Å; Q164-A168 PolarHBondContact O-N 3.4Å; Q165-A168 CarbonylContact O-C 3.56Å; A168-A170 PolarHBondContact O-N 3.5Å
169	A	56.9	Low	74	Confident	61 Å²	61	76.8 Å²	76.8	50%	0.504	40%	0.402	S	S	.	.			trans	-73.6	13.5	-175.2	0	0	0	0	0	115.4	Q165 S166 K167 L171	Q165-A169 PolarHBondContact O-N 3.06Å; S166-A169 VanDerWaalsContact O-CB 3.28Å; S166-A169 WeakPolarHBondContact O-CB 3.27Å; K167-A169 VanDerWaalsContact C-N 3.3Å; K167-A169 PolarHBondContact O-N 3.19Å; A169-L171 PolarHBondContact O-N 3.19Å
170	A	60.5	Low	73.7	Confident	32 Å²	32	78.3 Å²	78.3	26%	0.264	41%	0.412	S	S	.	.			trans	-93.3	87.2	167.6	0	0	0	0	0	109.8	A168 K172 E182	A168-A170 PolarHBondContact O-N 3.5Å; A170-K172 PolarHBondContact O-N 2.82Å; A170-E182 WeakPolarHBondContact CA-OE1 3.28Å; A170-E182 HydrophobicContact CB-CG 3.95Å; A170-E182 WeakPolarHBondContact CB-OE1 3.49Å
171	L	73.4	Confident	73.6	Confident	40 Å²	40	84 Å²	84	21%	0.209	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-59.3	134.5	170.5	-69	168.5	0	0	0	108.3	A169 A183 F193 P217	A169-L171 PolarHBondContact O-N 3.19Å; L171-A183 HydrophobicContact CB-CB 4.43Å; L171-A183 WeakPolarHBondContact O-CB 3.34Å; L171-A183 PolarHBondContact O-N 3.03Å; L171-F193 HydrophobicContact CB-CD1 4.46Å; L171-F193 HydrophobicContact CD1-CD1 4.28Å; L171-F193 HydrophobicContact CD1-CE1 3.73Å; L171-F193 HydrophobicContact CD1-CZ 4.16Å; L171-P217 HydrophobicContact CB-CB 4.22Å; L171-P217 HydrophobicContact CD1-CB 3.45Å; L171-P217 VanDerWaalsContact CD1-CB 3.45Å; L171-P217 WeakPolarHBondContact CD1-O 3.26Å; L171-P217 HydrophobicContact CG-CB 4.43Å
172	K	80.3	Confident	73.7	Confident	105 Å²	105	85.6 Å²	85.6	46%	0.457	44%	0.442	S	S	.	.	B	Isolated β-bridge	trans	-102.8	150	-174.1	-58.8	-60.9	-174.6	-178.8	0	111.9	A170 Q174 P180 K181	A170-K172 PolarHBondContact O-N 2.82Å; K172-Q174 PolarHBondContact O-N 2.86Å; K172-P180 HydrophobicContact CB-CB 4.13Å; K172-K181 CarbonylContact C-O 3.24Å; K172-K181 WeakPolarHBondContact CA-O 3.43Å
173	C	83.8	Confident	73.9	Confident	3 Å²	3	78.8 Å²	78.8	2%	0.02	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-63.3	130.1	175.2	-178.5	0	0	0	0	110.5	P180 K181 F193 C195	C173-P180 VanDerWaalsContact O-CB 3.3Å; C173-P180 WeakPolarHBondContact O-CB 3.11Å; C173-K181 WeakPolarHBondContact CB-O 3.26Å; C173-K181 PolarHBondContact N-O 2.94Å; C173-F193 WeakPolarHBondContact CA-O 3.38Å; C173-C195 HydrophobicContact CB-CB 3.71Å; C173-C195 VanDerWaalsContact CB-N 3.34Å; C173-C195 PolarHBondContact SG-N 3.4Å
174	Q	81.7	Confident	74.1	Confident	114 Å²	114	81 Å²	81	53%	0.533	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4	-177.4	-68.7	167.5	-40.2	0	0	113.4	K172 V192 F193	K172-Q174 PolarHBondContact O-N 2.86Å; Q174-V192 HydrophobicContact CB-CG1 4.13Å; Q174-F193 PolarHBondContact N-O 3.42Å
175	L	83.5	Confident	74.5	Confident	79 Å²	79	78.2 Å²	78.2	41%	0.414	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	13.9	179.9	-73.4	-163.7	0	0	0	114.8	V192 Y194 C198 C202	L175-V192 HydrophobicContact CG-CG1 4.47Å; L175-Y194 HydrophobicContact CD1-CD1 4.1Å; L175-Y194 HydrophobicContact CD1-CE1 3.5Å; L175-Y194 HydrophobicContact CG-CD1 4.48Å; L175-Y194 HydrophobicContact CG-CE1 4.12Å; L175-C198 HydrophobicContact CB-CB 4.34Å; L175-C202 WeakPolarHBondContact CD1-SG 3.16Å
176	C	83.4	Confident	75.3	Confident	35 Å²	35	75.2 Å²	75.2	24%	0.236	41%	0.406	C	S	.	.			trans	-89.1	122.8	170.7	-73.9	0	0	0	0	109.9	S179 P180	C176-S179 WeakPolarHBondContact CB-O 3.39Å; C176-P180 HydrophobicContact CB-CB 4.23Å
177	E	71.8	Confident	76.1	Confident	181 Å²	181	72 Å²	72	85%	0.846	38%	0.384	S	S	*	.	S	Bend	trans	-79.4	-22.4	-174.2	-67.8	173.4	-179.5	0	0	114.9
178	K	65.6	Low	76.9	Confident	202 Å²	202	70 Å²	70	88%	0.878	38%	0.376	S	S	*	.	S	Bend	trans	-123.9	-35.6	-174.8	-62.7	-173.1	-178.7	-176.9	0	114.7
179	S	74.8	Confident	77.9	Confident	82 Å²	82	71.8 Å²	71.8	57%	0.573	37%	0.374	S	S	*	.	S	Bend	trans	-146.7	105.1	176.2	55.2	0	0	0	0	111.2	C176 K181	C176-S179 WeakPolarHBondContact CB-O 3.39Å; S179-K181 PolarHBondContact O-N 3.12Å; S179-K181 VanDerWaalsContact O-N 3.13Å
180	P	76.4	Confident	79	Confident	75 Å²	75	71.2 Å²	71.2	49%	0.487	37%	0.365	S	S	.	.			trans	-71.2	111.6	-177	28.2	-32.8	0	0	0	111.5	K172 C173 C176	K172-P180 HydrophobicContact CB-CB 4.13Å; C173-P180 VanDerWaalsContact O-CB 3.3Å; C173-P180 WeakPolarHBondContact O-CB 3.11Å; C176-P180 HydrophobicContact CB-CB 4.23Å
181	K	82	Confident	80	Confident	122 Å²	122	73.6 Å²	73.6	53%	0.53	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-73	162.5	175.1	-65.9	-173.4	178.9	-175.4	0	110.4	K172 C173 S179 A183 C195	K172-K181 CarbonylContact C-O 3.24Å; K172-K181 WeakPolarHBondContact CA-O 3.43Å; C173-K181 WeakPolarHBondContact CB-O 3.26Å; C173-K181 PolarHBondContact N-O 2.94Å; S179-K181 PolarHBondContact O-N 3.12Å; S179-K181 VanDerWaalsContact O-N 3.13Å; K181-A183 PolarHBondContact O-N 3.32Å; K181-C195 HydrophobicContact CB-CB 3.81Å
182	E	81.3	Confident	80.4	Confident	108 Å²	108	73.3 Å²	73.3	51%	0.505	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-60.6	133.1	173.7	-168.3	165.8	-173.1	0	0	111.1	A170 C195	A170-E182 WeakPolarHBondContact CA-OE1 3.28Å; A170-E182 HydrophobicContact CB-CG 3.95Å; A170-E182 WeakPolarHBondContact CB-OE1 3.49Å; E182-C195 WeakPolarHBondContact O-CA 3.39Å; E182-C195 WeakPolarHBondContact O-CB 3.18Å
183	A	81.4	Confident	80.6	Confident	8 Å²	8	69.3 Å²	69.3	7%	0.066	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-75.9	131.4	178.1	0	0	0	0	0	109.1	L171 K181 F193 Y194 P217	L171-A183 HydrophobicContact CB-CB 4.43Å; L171-A183 WeakPolarHBondContact O-CB 3.34Å; L171-A183 PolarHBondContact O-N 3.03Å; K181-A183 PolarHBondContact O-N 3.32Å; A183-F193 HydrophobicContact CB-CB 3.74Å; A183-F193 HydrophobicContact CB-CD1 4.42Å; A183-Y194 CarbonylContact C-O 3.31Å; A183-Y194 VanDerWaalsContact CA-O 3.26Å; A183-Y194 WeakPolarHBondContact CA-O 3.36Å; A183-P217 HydrophobicContact CB-CG 4.34Å; A183-P217 WeakPolarHBondContact O-CG 3.4Å
184	T	82.6	Confident	80.6	Confident	55 Å²	55	69.8 Å²	69.8	34%	0.337	36%	0.358	S	S	.	.			trans	-100.7	-22.9	178.9	55.6	0	0	0	0	111.3	Y194 D196 P217	T184-Y194 PolarHBondContact N-O 3.31Å; T184-Y194 PolarHBondContact OG1-O 2.99Å; T184-D196 WeakPolarHBondContact CB-OD1 3.14Å; T184-D196 HydrophobicContact CG2-CB 4.47Å; T184-D196 VanDerWaalsContact OG1-CG 3.26Å; T184-D196 PolarHBondContact OG1-N 3.19Å; T184-D196 PolarHBondContact OG1-OD1 2.77Å; T184-P217 VanDerWaalsContact O-CD 3.22Å; T184-P217 WeakPolarHBondContact O-CD 3.19Å
185	V	84.4	Confident	80.9	Confident	15 Å²	15	64.5 Å²	64.5	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.7	178.4	-60.5	0	0	0	0	111.8	Y194 R199 L214 V215	V185-Y194 PolarHBondContact N-O 3.24Å; V185-Y194 PolarHBondContact O-N 2.89Å; V185-R199 HydrophobicContact CG2-CB 4.07Å; V185-R199 VanDerWaalsContact CG2-CD 3.42Å; V185-R199 HydrophobicContact CG2-CG 3.71Å; V185-L214 HydrophobicContact CB-CB 4.21Å; V185-L214 HydrophobicContact CG1-CB 4.4Å; V185-L214 HydrophobicContact CG2-CB 4.5Å; V185-L214 HydrophobicContact CG2-CD1 4.38Å; V185-L214 HydrophobicContact CG2-CD2 4.47Å; V185-V215 WeakPolarHBondContact CA-O 3.38Å
186	M	85.6	Confident	81	Confident	9 Å²	9	63.9 Å²	63.9	4%	0.044	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.3	164.4	-170.4	-171.5	79.4	0	0	108.5	E188 V192 F193 L214 V215 G220	M186-E188 HydrophobicContact CE-CG 4.15Å; M186-V192 WeakPolarHBondContact CA-O 3.37Å; M186-F193 HydrophobicContact CB-CD1 3.67Å; M186-F193 HydrophobicContact CB-CE1 3.63Å; M186-F193 HydrophobicContact CB-CZ 4.43Å; M186-F193 HydrophobicContact CG-CD1 3.82Å; M186-F193 HydrophobicContact CG-CE1 3.62Å; M186-F193 HydrophobicContact CG-CE2 4.41Å; M186-F193 HydrophobicContact CG-CG 4.3Å; M186-F193 HydrophobicContact CG-CZ 3.95Å; M186-F193 HydrophobicContact SD-CD1 4.39Å; M186-F193 HydrophobicContact SD-CE1 3.6Å; M186-F193 VanDerWaalsContact SD-CE1 3.6Å; M186-F193 HydrophobicContact SD-CE2 4.19Å; M186-F193 HydrophobicContact SD-CZ 3.47Å; M186-F193 WeakPolarHBondContact SD-CZ 3.48Å; M186-L214 CarbonylContact O-C 3.51Å; M186-L214 WeakPolarHBondContact O-CA 3.37Å; M186-V215 HydrophobicContact CB-CG2 4.25Å; M186-V215 HydrophobicContact CE-CG2 3.81Å; M186-V215 PolarHBondContact N-O 3.19Å; M186-V215 PolarHBondContact O-N 2.9Å; M186-G220 VanDerWaalsContact CE-CA 3.5Å
187	C	82.8	Confident	81.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	117.6	170.6	-176.8	0	0	0	0	108.9	Q189 C190 D191 V192 Y194 H203 H212 L214	C187-Q189 VanDerWaalsContact C-N 3.29Å; C187-Q189 PolarHBondContact O-N 3.45Å; C187-C190 HydrophobicContact CB-CB 3.94Å; C187-C190 PolarHBondContact O-N 2.9Å; C187-D191 VanDerWaalsContact O-CA 3.32Å; C187-D191 WeakPolarHBondContact O-CA 3.48Å; C187-D191 PolarHBondContact O-N 3.36Å; C187-V192 PolarHBondContact N-O 3.26Å; C187-Y194 HydrophobicContact CB-CD2 4.27Å; C187-Y194 HydrophobicContact CB-CE2 3.59Å; C187-H203 VanDerWaalsContact SG-CE1 3.55Å; C187-H203 PolarHBondContact SG-NE2 3.42Å; C187-H212 VanDerWaalsContact SG-CB 3.56Å; C187-H212 PolarHBondContact SG-ND1 3.5Å; C187-H212 VanDerWaalsContact SG-ND1 3.36Å; C187-L214 HydrophobicContact CB-CD2 3.48Å; C187-L214 VanDerWaalsContact CB-CD2 3.48Å
188	E	82.7	Confident	81.9	Confident	79 Å²	79	57.2 Å²	57.2	37%	0.369	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-35.2	-177.8	-69.2	-177.2	136.6	0	0	112.1	M186 R213 V215	M186-E188 HydrophobicContact CE-CG 4.15Å; E188-R213 PolarHBondContact N-O 3.24Å; E188-R213 IonicContact OE1-NH1 2.93Å; E188-R213 PolarHBondContact OE1-NH1 3.25Å; E188-R213 WeakPolarHBondContact OE2-CB 3.43Å; E188-R213 WeakPolarHBondContact OE2-CD 3.4Å; E188-R213 VanDerWaalsContact OE2-CG 3.25Å; E188-R213 WeakPolarHBondContact OE2-CG 3.45Å; E188-R213 IonicContact OE2-CZ 3.56Å; E188-R213 IonicContact OE2-NE 3.69Å; E188-R213 IonicContact OE2-NH1 2.72Å; E188-R213 PolarHBondContact OE2-NH1 3.4Å; E188-V215 HydrophobicContact CG-CG1 3.95Å; E188-V215 HydrophobicContact CG-CG2 3.79Å
189	Q	81.4	Confident	82.8	Confident	103 Å²	103	51.1 Å²	51.1	48%	0.481	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-29.4	-177.5	-63.8	79.6	6.7	0	0	112.9	C187 R213	C187-Q189 VanDerWaalsContact C-N 3.29Å; C187-Q189 PolarHBondContact O-N 3.45Å; Q189-R213 PolarHBondContact OE1-O 3.1Å
190	C	80.6	Confident	83.2	Confident	49 Å²	49	51.9 Å²	51.9	33%	0.331	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-13.6	175.9	-61.6	0	0	0	0	112.8	C187 V192 H212	C187-C190 HydrophobicContact CB-CB 3.94Å; C187-C190 PolarHBondContact O-N 2.9Å; C190-V192 HydrophobicContact CB-CB 4.48Å; C190-V192 WeakPolarHBondContact O-CG2 3.41Å; C190-V192 PolarHBondContact O-N 2.95Å; C190-H212 PolarHBondContact SG-CE1 3.07Å; C190-H212 PolarHBondContact SG-ND1 2.76Å
191	D	80.8	Confident	83.6	Confident	82 Å²	82	57.2 Å²	57.2	44%	0.439	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	37.2	-174.2	-160.2	40.6	0	0	0	114.4	C187 R224	C187-D191 VanDerWaalsContact O-CA 3.32Å; C187-D191 WeakPolarHBondContact O-CA 3.48Å; C187-D191 PolarHBondContact O-N 3.36Å; D191-R224 IonicContact OD1-CZ 2.76Å; D191-R224 IonicContact OD1-NH2 2.9Å; D191-R224 PolarHBondContact OD1-NH2 3.06Å; D191-R224 IonicContact OD2-CZ 3.92Å; D191-R224 IonicContact OD2-NH2 3.07Å; D191-R224 PolarHBondContact OD2-NH2 3.26Å
192	V	81.2	Confident	83.6	Confident	33 Å²	33	53.1 Å²	53.1	20%	0.2	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142	-174.6	170.7	0	0	0	0	110.9	Q174 L175 M186 C187 C190 Y194	Q174-V192 HydrophobicContact CB-CG1 4.13Å; L175-V192 HydrophobicContact CG-CG1 4.47Å; M186-V192 WeakPolarHBondContact CA-O 3.37Å; C187-V192 PolarHBondContact N-O 3.26Å; C190-V192 HydrophobicContact CB-CB 4.48Å; C190-V192 WeakPolarHBondContact O-CG2 3.41Å; C190-V192 PolarHBondContact O-N 2.95Å; V192-Y194 HydrophobicContact CB-CE2 3.69Å; V192-Y194 HydrophobicContact CG1-CD1 4.38Å; V192-Y194 HydrophobicContact CG1-CD2 4.22Å; V192-Y194 HydrophobicContact CG1-CE1 3.86Å; V192-Y194 HydrophobicContact CG1-CE2 3.65Å; V192-Y194 VanDerWaalsContact CG1-CZ 3.44Å; V192-Y194 VanDerWaalsContact O-CD2 3.23Å; V192-Y194 WeakPolarHBondContact O-CD2 3.38Å; V192-Y194 WeakPolarHBondContact O-CE2 3.36Å
193	F	84.4	Confident	83.7	Confident	22 Å²	22	48.7 Å²	48.7	10%	0.096	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.9	175.2	-66	-82.1	0	0	0	111.5	L171 C173 Q174 A183 M186 P217	L171-F193 HydrophobicContact CB-CD1 4.46Å; L171-F193 HydrophobicContact CD1-CD1 4.28Å; L171-F193 HydrophobicContact CD1-CE1 3.73Å; L171-F193 HydrophobicContact CD1-CZ 4.16Å; C173-F193 WeakPolarHBondContact CA-O 3.38Å; Q174-F193 PolarHBondContact N-O 3.42Å; A183-F193 HydrophobicContact CB-CB 3.74Å; A183-F193 HydrophobicContact CB-CD1 4.42Å; M186-F193 HydrophobicContact CB-CD1 3.67Å; M186-F193 HydrophobicContact CB-CE1 3.63Å; M186-F193 HydrophobicContact CB-CZ 4.43Å; M186-F193 HydrophobicContact CG-CD1 3.82Å; M186-F193 HydrophobicContact CG-CE1 3.62Å; M186-F193 HydrophobicContact CG-CE2 4.41Å; M186-F193 HydrophobicContact CG-CG 4.3Å; M186-F193 HydrophobicContact CG-CZ 3.95Å; M186-F193 HydrophobicContact SD-CD1 4.39Å; M186-F193 HydrophobicContact SD-CE1 3.6Å; M186-F193 VanDerWaalsContact SD-CE1 3.6Å; M186-F193 HydrophobicContact SD-CE2 4.19Å; M186-F193 HydrophobicContact SD-CZ 3.47Å; M186-F193 WeakPolarHBondContact SD-CZ 3.48Å; F193-P217 HydrophobicContact CD1-CB 3.92Å; F193-P217 HydrophobicContact CD1-CG 4.43Å; F193-P217 HydrophobicContact CE1-CB 3.89Å
194	Y	84.4	Confident	83.6	Confident	13 Å²	13	50.8 Å²	50.8	5%	0.051	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.8	-177.2	-56.5	-94.6	0	0	0	111.1	L175 A183 T184 V185 C187 V192 C198 C202	L175-Y194 HydrophobicContact CD1-CD1 4.1Å; L175-Y194 HydrophobicContact CD1-CE1 3.5Å; L175-Y194 HydrophobicContact CG-CD1 4.48Å; L175-Y194 HydrophobicContact CG-CE1 4.12Å; A183-Y194 CarbonylContact C-O 3.31Å; A183-Y194 VanDerWaalsContact CA-O 3.26Å; A183-Y194 WeakPolarHBondContact CA-O 3.36Å; T184-Y194 PolarHBondContact N-O 3.31Å; T184-Y194 PolarHBondContact OG1-O 2.99Å; V185-Y194 PolarHBondContact N-O 3.24Å; V185-Y194 PolarHBondContact O-N 2.89Å; C187-Y194 HydrophobicContact CB-CD2 4.27Å; C187-Y194 HydrophobicContact CB-CE2 3.59Å; V192-Y194 HydrophobicContact CB-CE2 3.69Å; V192-Y194 HydrophobicContact CG1-CD1 4.38Å; V192-Y194 HydrophobicContact CG1-CD2 4.22Å; V192-Y194 HydrophobicContact CG1-CE1 3.86Å; V192-Y194 HydrophobicContact CG1-CE2 3.65Å; V192-Y194 VanDerWaalsContact CG1-CZ 3.44Å; V192-Y194 VanDerWaalsContact O-CD2 3.23Å; V192-Y194 WeakPolarHBondContact O-CD2 3.38Å; V192-Y194 WeakPolarHBondContact O-CE2 3.36Å; Y194-C198 HydrophobicContact CD1-CB 4.26Å; Y194-C202 HydrophobicContact CD1-CB 4.43Å; Y194-C202 HydrophobicContact CE1-CB 3.91Å
195	C	88.2	Confident	83.2	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.02	28%	0.279	C	S	.	.			trans	-76.8	160.3	159	64.2	0	0	0	0	109.6	C173 K181 E182 P197 C198 R199	C173-C195 HydrophobicContact CB-CB 3.71Å; C173-C195 VanDerWaalsContact CB-N 3.34Å; C173-C195 PolarHBondContact SG-N 3.4Å; K181-C195 HydrophobicContact CB-CB 3.81Å; E182-C195 WeakPolarHBondContact O-CA 3.39Å; E182-C195 WeakPolarHBondContact O-CB 3.18Å; C195-P197 VanDerWaalsContact C-N 3.35Å; C195-C198 PolarHBondContact O-N 3.03Å; C195-C198 VanDerWaalsContact SG-SG 3.62Å; C195-R199 WeakPolarHBondContact O-CB 3.32Å; C195-R199 PolarHBondContact O-N 3.11Å
196	D	85.9	Confident	82.7	Confident	66 Å²	66	63.7 Å²	63.7	35%	0.353	32%	0.316	S	S	.	.	H	α-helix	trans	-52.5	-42	-177	-79.7	-26.7	0	0	0	114.9	T184 R199 L200	T184-D196 WeakPolarHBondContact CB-OD1 3.14Å; T184-D196 HydrophobicContact CG2-CB 4.47Å; T184-D196 VanDerWaalsContact OG1-CG 3.26Å; T184-D196 PolarHBondContact OG1-N 3.19Å; T184-D196 PolarHBondContact OG1-OD1 2.77Å; D196-R199 WeakPolarHBondContact O-CB 3.36Å; D196-R199 PolarHBondContact O-N 2.84Å; D196-R199 IonicContact OD1-CZ 3.28Å; D196-R199 VanDerWaalsContact OD1-CZ 3.28Å; D196-R199 IonicContact OD1-NE 3.82Å; D196-R199 IonicContact OD1-NH1 3.07Å; D196-R199 PolarHBondContact OD1-NH1 3.21Å; D196-R199 VanDerWaalsContact OD1-NH1 3.07Å; D196-R199 IonicContact OD1-NH2 3.65Å; D196-L200 WeakPolarHBondContact O-CG 3.35Å; D196-L200 PolarHBondContact O-N 3.3Å
197	P	85.9	Confident	82.3	Confident	68 Å²	68	65.6 Å²	65.6	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-62.8	-44.1	175.4	-24.5	33.7	0	0	0	113.7	C195 L200 R201	C195-P197 VanDerWaalsContact C-N 3.35Å; P197-L200 PolarHBondContact O-N 2.78Å; P197-R201 WeakPolarHBondContact O-CG 3.25Å; P197-R201 PolarHBondContact O-N 3.4Å; P197-R201 VanDerWaalsContact O-N 3.11Å
198	C	86.7	Confident	82	Confident	7 Å²	7	71.5 Å²	71.5	5%	0.047	38%	0.376	C	S	.	.	H	α-helix	trans	-71.8	-33.5	178.3	-68.4	0	0	0	0	111.4	L175 Y194 C195 R201 C202	L175-C198 HydrophobicContact CB-CB 4.34Å; Y194-C198 HydrophobicContact CD1-CB 4.26Å; C195-C198 PolarHBondContact O-N 3.03Å; C195-C198 VanDerWaalsContact SG-SG 3.62Å; C198-R201 PolarHBondContact O-N 2.93Å; C198-C202 WeakPolarHBondContact O-CB 3.45Å; C198-C202 PolarHBondContact O-N 2.84Å; C198-C202 PolarHBondContact O-SG 3.4Å
199	R	86.4	Confident	81.8	Confident	74 Å²	74	71.3 Å²	71.3	28%	0.279	38%	0.377	S	S	.	.	H	α-helix	trans	-58.2	-49.9	171.2	-177.1	-168.8	79.7	-169.3	-0.3	110.1	V185 C195 D196 R201 C202 H203 L214	V185-R199 HydrophobicContact CG2-CB 4.07Å; V185-R199 VanDerWaalsContact CG2-CD 3.42Å; V185-R199 HydrophobicContact CG2-CG 3.71Å; C195-R199 WeakPolarHBondContact O-CB 3.32Å; C195-R199 PolarHBondContact O-N 3.11Å; D196-R199 WeakPolarHBondContact O-CB 3.36Å; D196-R199 PolarHBondContact O-N 2.84Å; D196-R199 IonicContact OD1-CZ 3.28Å; D196-R199 VanDerWaalsContact OD1-CZ 3.28Å; D196-R199 IonicContact OD1-NE 3.82Å; D196-R199 IonicContact OD1-NH1 3.07Å; D196-R199 PolarHBondContact OD1-NH1 3.21Å; D196-R199 VanDerWaalsContact OD1-NH1 3.07Å; D196-R199 IonicContact OD1-NH2 3.65Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-R201 PolarHBondContact O-N 3.2Å; R199-C202 PolarHBondContact O-N 3.17Å; R199-H203 HydrophobicContact CG-CB 4.43Å; R199-H203 CarbonylContact O-C 3.55Å; R199-H203 VanDerWaalsContact O-C 3.31Å; R199-H203 WeakPolarHBondContact O-CA 3.46Å; R199-H203 VanDerWaalsContact O-CB 3.28Å; R199-H203 WeakPolarHBondContact O-CB 3.25Å; R199-H203 PolarHBondContact O-N 2.87Å; R199-L214 HydrophobicContact CG-CD1 3.8Å
200	L	82.9	Confident	81.7	Confident	99 Å²	99	68.7 Å²	68.7	52%	0.518	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-31.2	-179	-72.2	168.5	0	0	0	113	D196 P197 P204	D196-L200 WeakPolarHBondContact O-CG 3.35Å; D196-L200 PolarHBondContact O-N 3.3Å; P197-L200 PolarHBondContact O-N 2.78Å; L200-P204 WeakPolarHBondContact O-CA 3.4Å
201	R	83.8	Confident	81.5	Confident	186 Å²	186	75.7 Å²	75.7	70%	0.702	40%	0.398	S	S	*	.	H	α-helix	trans	-69.1	-43.4	174.4	-76.7	175.9	61.1	-155.3	-1.8	112.8	P197 C198 R199	P197-R201 WeakPolarHBondContact O-CG 3.25Å; P197-R201 PolarHBondContact O-N 3.4Å; P197-R201 VanDerWaalsContact O-N 3.11Å; C198-R201 PolarHBondContact O-N 2.93Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-R201 PolarHBondContact O-N 3.2Å
202	C	81.4	Confident	81.7	Confident	37 Å²	37	74.4 Å²	74.4	25%	0.25	39%	0.389	C	S	.	.	H	α-helix	trans	-93.2	-28.6	-174.9	-62.5	0	0	0	0	113.2	L175 Y194 C198 R199 P204 L209	L175-C202 WeakPolarHBondContact CD1-SG 3.16Å; Y194-C202 HydrophobicContact CD1-CB 4.43Å; Y194-C202 HydrophobicContact CE1-CB 3.91Å; C198-C202 WeakPolarHBondContact O-CB 3.45Å; C198-C202 PolarHBondContact O-N 2.84Å; C198-C202 PolarHBondContact O-SG 3.4Å; R199-C202 PolarHBondContact O-N 3.17Å; C202-P204 WeakPolarHBondContact O-CD 3.38Å; C202-L209 WeakPolarHBondContact O-CD1 3.27Å
203	H	84.3	Confident	81.9	Confident	15 Å²	15	79.8 Å²	79.8	7%	0.069	41%	0.406	C	S	.	.	S	Bend	trans	-124.5	67	176.3	-68.6	-79.1	0	0	0	110.7	C187 R199 L209 H212 L214	C187-H203 VanDerWaalsContact SG-CE1 3.55Å; C187-H203 PolarHBondContact SG-NE2 3.42Å; R199-H203 HydrophobicContact CG-CB 4.43Å; R199-H203 CarbonylContact O-C 3.55Å; R199-H203 VanDerWaalsContact O-C 3.31Å; R199-H203 WeakPolarHBondContact O-CA 3.46Å; R199-H203 VanDerWaalsContact O-CB 3.28Å; R199-H203 WeakPolarHBondContact O-CB 3.25Å; R199-H203 PolarHBondContact O-N 2.87Å; H203-L209 PolarHBondContact ND1-O 3.41Å; H203-H212 AromaticContact CE1-CG 3.66Å; H203-H212 AromaticContact CE1-ND1 3.48Å; H203-H212 PolarHBondContact CE1-ND1 2.93Å; H203-L214 HydrophobicContact CB-CD1 4.22Å
204	P	78.7	Confident	82	Confident	51 Å²	51	81.6 Å²	81.6	33%	0.331	42%	0.416	S	S	.	.			trans	-66.5	152.5	169.8	28.2	-33.2	0	0	0	110.6	L200 C202 R206	L200-P204 WeakPolarHBondContact O-CA 3.4Å; C202-P204 WeakPolarHBondContact O-CD 3.38Å; P204-R206 PolarHBondContact O-N 3.13Å
205	P	74	Confident	81.9	Confident	116 Å²	116	81.3 Å²	81.3	75%	0.753	42%	0.415	S	S	*	.	S	Bend	trans	-65.9	-8.9	-176.7	25.4	-34	0	0	0	114.2
206	R	74.7	Confident	81.4	Confident	226 Å²	226	84.3 Å²	84.3	85%	0.853	44%	0.435	S	S	*	.	S	Bend	trans	-131.5	129.8	175.4	-71.3	179.9	153.9	171.7	-6.6	108.7	P204	P204-R206 PolarHBondContact O-N 3.13Å
207	G	77.4	Confident	80.8	Confident	48 Å²	48	82 Å²	82	50%	0.495	42%	0.423	S	S	.	.	S	Bend	trans	132.6	178.6	-178.3	0	0	0	0	0	112.7	L209 A210	G207-L209 VanDerWaalsContact C-N 3.33Å; G207-L209 PolarHBondContact O-N 3.11Å; G207-A210 WeakPolarHBondContact O-CB 3.42Å; G207-A210 PolarHBondContact O-N 3.43Å
208	P	75.6	Confident	79.8	Confident	125 Å²	125	82 Å²	82	81%	0.812	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-62.8	-36.3	-173	-21.7	32.4	0	0	0	113.9	A210	P208-A210 VanDerWaalsContact C-N 3.29Å; P208-A210 PolarHBondContact O-N 3.49Å
209	L	79.6	Confident	78.8	Confident	74 Å²	74	87.4 Å²	87.4	39%	0.387	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-82.9	-0.2	-175.3	-62.7	174.3	0	0	0	113.9	C202 H203 G207 K211 H212	C202-L209 WeakPolarHBondContact O-CD1 3.27Å; H203-L209 PolarHBondContact ND1-O 3.41Å; G207-L209 VanDerWaalsContact C-N 3.33Å; G207-L209 PolarHBondContact O-N 3.11Å; L209-K211 PolarHBondContact O-N 3.34Å; L209-H212 PolarHBondContact O-N 3.49Å
210	A	77.9	Confident	77.5	Confident	49 Å²	49	84.3 Å²	84.3	41%	0.405	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-68.1	-18	178.3	0	0	0	0	0	113.2	G207 P208	G207-A210 WeakPolarHBondContact O-CB 3.42Å; G207-A210 PolarHBondContact O-N 3.43Å; P208-A210 VanDerWaalsContact C-N 3.29Å; P208-A210 PolarHBondContact O-N 3.49Å
211	K	77.1	Confident	76.4	Confident	196 Å²	196	83 Å²	83	85%	0.852	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-84.9	-5.7	178.8	-65	-175.4	-179.9	-179.4	0	114.1	L209	L209-K211 PolarHBondContact O-N 3.34Å
212	H	85.8	Confident	75.1	Confident	54 Å²	54	80 Å²	80	25%	0.25	43%	0.43	C	S	.	.	S	Bend	trans	-71.8	143	178.6	-73.9	-154.1	0	0	0	110.8	C187 C190 H203 L209 L214	C187-H212 VanDerWaalsContact SG-CB 3.56Å; C187-H212 PolarHBondContact SG-ND1 3.5Å; C187-H212 VanDerWaalsContact SG-ND1 3.36Å; C190-H212 PolarHBondContact SG-CE1 3.07Å; C190-H212 PolarHBondContact SG-ND1 2.76Å; H203-H212 AromaticContact CE1-CG 3.66Å; H203-H212 AromaticContact CE1-ND1 3.48Å; H203-H212 PolarHBondContact CE1-ND1 2.93Å; L209-H212 PolarHBondContact O-N 3.49Å; H212-L214 PolarHBondContact O-N 3.18Å
213	R	84.2	Confident	73.7	Confident	147 Å²	147	83.9 Å²	83.9	56%	0.555	46%	0.457	S	S	*	.			trans	-85.7	113.7	179.6	-172.2	164	175.7	-110	4.1	109.4	E188 Q189 V215	E188-R213 PolarHBondContact N-O 3.24Å; E188-R213 IonicContact OE1-NH1 2.93Å; E188-R213 PolarHBondContact OE1-NH1 3.25Å; E188-R213 WeakPolarHBondContact OE2-CB 3.43Å; E188-R213 WeakPolarHBondContact OE2-CD 3.4Å; E188-R213 VanDerWaalsContact OE2-CG 3.25Å; E188-R213 WeakPolarHBondContact OE2-CG 3.45Å; E188-R213 IonicContact OE2-CZ 3.56Å; E188-R213 IonicContact OE2-NE 3.69Å; E188-R213 IonicContact OE2-NH1 2.72Å; E188-R213 PolarHBondContact OE2-NH1 3.4Å; Q189-R213 PolarHBondContact OE1-O 3.1Å; R213-V215 HydrophobicContact CG-CG1 4.22Å
214	L	86.1	Confident	72.4	Confident	59 Å²	59	90.7 Å²	90.7	31%	0.309	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.9	176.6	-57.2	-179.9	0	0	0	108.6	V185 M186 C187 R199 H203 H212	V185-L214 HydrophobicContact CB-CB 4.21Å; V185-L214 HydrophobicContact CG1-CB 4.4Å; V185-L214 HydrophobicContact CG2-CB 4.5Å; V185-L214 HydrophobicContact CG2-CD1 4.38Å; V185-L214 HydrophobicContact CG2-CD2 4.47Å; M186-L214 CarbonylContact O-C 3.51Å; M186-L214 WeakPolarHBondContact O-CA 3.37Å; C187-L214 HydrophobicContact CB-CD2 3.48Å; C187-L214 VanDerWaalsContact CB-CD2 3.48Å; R199-L214 HydrophobicContact CG-CD1 3.8Å; H203-L214 HydrophobicContact CB-CD1 4.22Å; H212-L214 PolarHBondContact O-N 3.18Å
215	V	82.8	Confident	71.3	Confident	7 Å²	7	94.4 Å²	94.4	4%	0.042	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	154.9	178.7	-63	0	0	0	0	111	V185 M186 E188 R213	V185-V215 WeakPolarHBondContact CA-O 3.38Å; M186-V215 HydrophobicContact CB-CG2 4.25Å; M186-V215 HydrophobicContact CE-CG2 3.81Å; M186-V215 PolarHBondContact N-O 3.19Å; M186-V215 PolarHBondContact O-N 2.9Å; E188-V215 HydrophobicContact CG-CG1 3.95Å; E188-V215 HydrophobicContact CG-CG2 3.79Å; R213-V215 HydrophobicContact CG-CG1 4.22Å
216	P	78.7	Confident	70.1	Confident	66 Å²	66	93.8 Å²	93.8	43%	0.429	49%	0.494	S	S	.	.			trans	-54.7	138.1	171	-25.7	34.4	0	0	0	111.5	A218 Q219 G220	P216-A218 PolarHBondContact O-N 3.31Å; P216-A218 VanDerWaalsContact O-N 3.08Å; P216-Q219 PolarHBondContact O-N 3.03Å; P216-G220 PolarHBondContact O-N 3.2Å
217	P	72.7	Confident	68.5	Low	17 Å²	17	87.7 Å²	87.7	11%	0.11	49%	0.486	C	S	.	.	H	α-helix	trans	-56.4	-31	-176.7	-27.5	34.9	0	0	0	113.9	L171 A183 T184 F193 R221	L171-P217 HydrophobicContact CB-CB 4.22Å; L171-P217 HydrophobicContact CD1-CB 3.45Å; L171-P217 VanDerWaalsContact CD1-CB 3.45Å; L171-P217 WeakPolarHBondContact CD1-O 3.26Å; L171-P217 HydrophobicContact CG-CB 4.43Å; A183-P217 HydrophobicContact CB-CG 4.34Å; A183-P217 WeakPolarHBondContact O-CG 3.4Å; T184-P217 VanDerWaalsContact O-CD 3.22Å; T184-P217 WeakPolarHBondContact O-CD 3.19Å; F193-P217 HydrophobicContact CD1-CB 3.92Å; F193-P217 HydrophobicContact CD1-CG 4.43Å; F193-P217 HydrophobicContact CE1-CB 3.89Å; P217-R221 PolarHBondContact O-N 3.39Å
218	A	65	Low	66.9	Low	69 Å²	69	90.7 Å²	90.7	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-67.3	-35.3	176.2	0	0	0	0	0	113.3	P216 R221 I222	P216-A218 PolarHBondContact O-N 3.31Å; P216-A218 VanDerWaalsContact O-N 3.08Å; A218-R221 PolarHBondContact O-N 2.91Å; A218-I222 WeakPolarHBondContact O-CG1 3.43Å
219	Q	65.6	Low	65.8	Low	121 Å²	121	96.3 Å²	96.3	57%	0.565	50%	0.502	S	S	*	.	H	α-helix	trans	-75.9	-38.2	179.6	-79.7	179.1	-12.9	0	0	112.1	P216 R221 I222	P216-Q219 PolarHBondContact O-N 3.03Å; Q219-R221 PolarHBondContact O-N 2.93Å; Q219-I222 PolarHBondContact O-N 3.46Å
220	G	60.1	Low	64.8	Low	9 Å²	9	102.3 Å²	102.3	9%	0.093	53%	0.525	C	S	.	.	H	α-helix	trans	-61.1	-25.4	172.4	0	0	0	0	0	114.1	M186 P216	M186-G220 VanDerWaalsContact CE-CA 3.5Å; P216-G220 PolarHBondContact O-N 3.2Å
221	R	58.2	Low	64.1	Low	71 Å²	71	105.1 Å²	105.1	27%	0.268	53%	0.532	S	S	.	.	H	α-helix	trans	-78.5	-24.6	-179.8	-156.7	179.4	-171.4	179.4	1.4	113.8	P217 A218 Q219 R225	P217-R221 PolarHBondContact O-N 3.39Å; A218-R221 PolarHBondContact O-N 2.91Å; Q219-R221 PolarHBondContact O-N 2.93Å; R221-R225 WeakPolarHBondContact O-CG 2.98Å
222	I	56.7	Low	63.7	Low	124 Å²	124	98.9 Å²	98.9	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-77.1	-38.2	-176.3	-64.9	167	0	0	0	110.8	A218 Q219 R224 R225	A218-I222 WeakPolarHBondContact O-CG1 3.43Å; Q219-I222 PolarHBondContact O-N 3.46Å; I222-R224 PolarHBondContact O-N 3.23Å; I222-R225 PolarHBondContact O-N 3.36Å; I222-R225 VanDerWaalsContact O-N 3.16Å
223	S	53.6	Low	63.3	Low	117 Å²	117	98.4 Å²	98.4	82%	0.818	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.5	175	-76.2	0	0	0	0	114
224	R	55.8	Low	63	Low	158 Å²	158	91.8 Å²	91.8	60%	0.596	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.9	177.6	-64.5	-166.4	-170.4	-161.7	6.6	114.8	D191 I222	D191-R224 IonicContact OD1-CZ 2.76Å; D191-R224 IonicContact OD1-NH2 2.9Å; D191-R224 PolarHBondContact OD1-NH2 3.06Å; D191-R224 IonicContact OD2-CZ 3.92Å; D191-R224 IonicContact OD2-NH2 3.07Å; D191-R224 PolarHBondContact OD2-NH2 3.26Å; I222-R224 PolarHBondContact O-N 3.23Å
225	R	55.3	Low	62.3	Low	130 Å²	130	94.1 Å²	94.1	49%	0.491	51%	0.507	S	S	.	.			trans	-113.5	7.8	-162.3	-85.6	-177.3	172.6	-156.2	-9.9	117.2	R221 I222 S227	R221-R225 WeakPolarHBondContact O-CG 2.98Å; I222-R225 PolarHBondContact O-N 3.36Å; I222-R225 VanDerWaalsContact O-N 3.16Å; R225-S227 PolarHBondContact O-N 3.33Å
226	A	48.5	Very low	61.8	Low	102 Å²	102	98 Å²	98	84%	0.843	53%	0.525	S	S	*	.			trans	-75.5	68.5	169.6	0	0	0	0	0	111
227	S	42.4	Very low	61.7	Low	98 Å²	98	96.9 Å²	96.9	69%	0.685	51%	0.514	S	S	*	.			trans	-86	130	167.7	-171.5	0	0	0	0	108.9	R225 R229	R225-S227 PolarHBondContact O-N 3.33Å; S227-R229 PolarHBondContact O-N 2.96Å
228	P	43.6	Very low	61.8	Low	112 Å²	112	103.4 Å²	103.4	73%	0.727	54%	0.543	S	S	*	.			trans	-60.2	136	-178.8	2.6	-1	0	0	0	111	K230	P228-K230 PolarHBondContact O-N 2.9Å
229	R	53.2	Low	62.3	Low	243 Å²	243	108 Å²	108	92%	0.917	56%	0.557	S	S	*	*			trans	-56.2	111.4	177.9	-69	-179.6	-176.9	-177.9	2.1	109.4	S227 I231	S227-R229 PolarHBondContact O-N 2.96Å; R229-I231 PolarHBondContact O-N 3.49Å
230	K	57	Low	63	Low	200 Å²	200	105.2 Å²	105.2	87%	0.87	54%	0.544	S	S	*	.			trans	-66.3	114	170.2	-70.7	-174.5	179.3	-176.4	0	108.5	P228	P228-K230 PolarHBondContact O-N 2.9Å
231	I	63	Low	64.1	Low	108 Å²	108	108.1 Å²	108.1	55%	0.554	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-69.2	135.5	174.5	-60.7	166.9	0	0	0	107.7	R229 T233 N241	R229-I231 PolarHBondContact O-N 3.49Å; I231-T233 PolarHBondContact O-N 3.43Å; I231-N241 HydrophobicContact CG2-CB 3.8Å; I231-N241 WeakPolarHBondContact CG2-OD1 3.44Å
232	S	69.9	Low	65.3	Low	65 Å²	65	106.5 Å²	106.5	46%	0.455	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-69.3	125.6	178.1	-66	0	0	0	0	110.1	L242	S232-L242 PolarHBondContact O-N 3.08Å; S232-L242 VanDerWaalsContact O-N 3.12Å
233	T	76.6	Confident	66.7	Low	44 Å²	44	103.4 Å²	103.4	27%	0.27	54%	0.543	S	S	.	.	B	Isolated β-bridge	trans	-92.1	158.2	175.8	55.2	0	0	0	0	111.7	I231 E238 E240	I231-T233 PolarHBondContact O-N 3.43Å; T233-E238 WeakPolarHBondContact CB-O 3.45Å; T233-E238 WeakPolarHBondContact CG2-O 3.36Å; T233-E238 PolarHBondContact OG1-O 3.32Å; T233-E240 CarbonylContact C-O 3.48Å; T233-E240 WeakPolarHBondContact CA-O 3.25Å; T233-E240 WeakPolarHBondContact CB-O 3.45Å
234	C	77.5	Confident	68.3	Low	8 Å²	8	100.2 Å²	100.2	5%	0.054	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-66.8	147.9	179.2	-177.7	0	0	0	0	111.6	E236 H237 E238 E240 L242 C254	C234-E236 PolarHBondContact SG-N 2.93Å; C234-E236 VanDerWaalsContact SG-N 3.42Å; C234-H237 HydrophobicContact CB-CB 4.12Å; C234-H237 WeakPolarHBondContact CB-O 3.39Å; C234-H237 CarbonylContact O-C 3.57Å; C234-E238 WeakPolarHBondContact O-CA 3.49Å; C234-E240 PolarHBondContact N-O 3.42Å; C234-L242 HydrophobicContact CB-CD2 3.9Å; C234-C254 HydrophobicContact CB-CB 3.88Å; C234-C254 VanDerWaalsContact CB-SG 3.58Å
235	T	72.8	Confident	69.9	Low	108 Å²	108	94.1 Å²	94.1	66%	0.663	49%	0.493	S	S	*	.	S	Bend	trans	-76.3	-23.3	177.5	53.1	0	0	0	0	113.3
236	E	71.3	Confident	71.5	Confident	88 Å²	88	88 Å²	88	41%	0.411	47%	0.47	S	S	.	.	S	Bend	trans	-94	-33.7	175.2	-61.3	-169.5	153.9	0	0	111.2	R145 C234	R145-E236 IonicContact CZ-OE1 3.56Å; R145-E236 IonicContact NH1-OE1 3.89Å; R145-E236 PolarHBondContact NH1-OE1 3.48Å; R145-E236 IonicContact NH2-OE1 2.75Å; C234-E236 PolarHBondContact SG-N 2.93Å; C234-E236 VanDerWaalsContact SG-N 3.42Å
237	H	77.8	Confident	73.4	Confident	42 Å²	42	85.2 Å²	85.2	19%	0.194	44%	0.443	C	S	.	.	S	Bend	trans	-120.7	83.4	-179.7	-52.6	106.8	0	0	0	109.7	C234 L239 E240 Q256 C257	C234-H237 HydrophobicContact CB-CB 4.12Å; C234-H237 WeakPolarHBondContact CB-O 3.39Å; C234-H237 CarbonylContact O-C 3.57Å; H237-L239 PolarHBondContact O-N 3.02Å; H237-E240 HydrophobicContact CB-CB 3.9Å; H237-E240 HydrophobicContact CB-CG 4Å; H237-E240 PolarHBondContact O-N 3.37Å; H237-Q256 HydrophobicContact CB-CB 4.44Å; H237-Q256 PolarHBondContact CD2-OE1 3.2Å; H237-Q256 VanDerWaalsContact CG-OE1 3.3Å; H237-C257 VanDerWaalsContact CE1-SG 3.52Å; H237-C257 PolarHBondContact ND1-SG 3.13Å
238	E	74.2	Confident	75.5	Confident	154 Å²	154	85.1 Å²	85.1	72%	0.72	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.8	-168.8	-63.5	-171.1	164.1	0	0	114.6	T233 C234	T233-E238 WeakPolarHBondContact CB-O 3.45Å; T233-E238 WeakPolarHBondContact CG2-O 3.36Å; T233-E238 PolarHBondContact OG1-O 3.32Å; C234-E238 WeakPolarHBondContact O-CA 3.49Å
239	L	75.6	Confident	77.4	Confident	167 Å²	167	82.2 Å²	82.2	87%	0.874	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.1	178.5	-63	173.8	0	0	0	113.2	H237	H237-L239 PolarHBondContact O-N 3.02Å
240	E	80.7	Confident	78.9	Confident	61 Å²	61	78.5 Å²	78.5	29%	0.285	40%	0.404	S	S	.	.	S	Bend	trans	-99.6	136.2	-175.3	-73.4	-63.7	154.1	0	0	112.6	T233 C234 H237 C254 Q256	T233-E240 CarbonylContact C-O 3.48Å; T233-E240 WeakPolarHBondContact CA-O 3.25Å; T233-E240 WeakPolarHBondContact CB-O 3.45Å; C234-E240 PolarHBondContact N-O 3.42Å; H237-E240 HydrophobicContact CB-CB 3.9Å; H237-E240 HydrophobicContact CB-CG 4Å; H237-E240 PolarHBondContact O-N 3.37Å; E240-C254 HydrophobicContact CB-CB 3.73Å; E240-Q256 HydrophobicContact CG-CB 4.28Å; E240-Q256 HydrophobicContact CG-CG 3.72Å; E240-Q256 VanDerWaalsContact CG-NE2 3.31Å; E240-Q256 PolarHBondContact OE1-NE2 2.81Å
241	N	83.3	Confident	80.1	Confident	71 Å²	71	72.6 Å²	72.6	38%	0.38	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-80.4	140.3	177.9	-70.4	-37.4	0	0	0	111.3	I231 S243 C254	I231-N241 HydrophobicContact CG2-CB 3.8Å; I231-N241 WeakPolarHBondContact CG2-OD1 3.44Å; N241-S243 PolarHBondContact O-N 2.86Å; N241-C254 VanDerWaalsContact O-CB 3.26Å; N241-C254 WeakPolarHBondContact O-CB 3.46Å
242	L	83.6	Confident	81.2	Confident	36 Å²	36	70 Å²	70	19%	0.188	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	117.8	171.7	-63.4	171.9	0	0	0	109.7	S232 C234 P252 C254 L271	S232-L242 PolarHBondContact O-N 3.08Å; S232-L242 VanDerWaalsContact O-N 3.12Å; C234-L242 HydrophobicContact CB-CD2 3.9Å; L242-P252 HydrophobicContact CB-CB 4.33Å; L242-P252 HydrophobicContact CD1-CB 4.15Å; L242-P252 HydrophobicContact CD1-CG 4.04Å; L242-P252 HydrophobicContact CD2-CB 4.43Å; L242-C254 HydrophobicContact CD2-CB 4.38Å; L242-L271 HydrophobicContact CB-CD2 4.49Å; L242-L271 WeakPolarHBondContact O-CD2 3.35Å
243	S	84.6	Confident	82	Confident	59 Å²	59	67 Å²	67	41%	0.413	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-22.8	-172.9	58.6	0	0	0	0	113.6	N241 V253 L271	N241-S243 PolarHBondContact O-N 2.86Å; S243-V253 PolarHBondContact N-O 2.89Å; S243-L271 WeakPolarHBondContact O-CB 3.35Å; S243-L271 PolarHBondContact O-N 3.43Å
244	M	87.6	Confident	82.5	Confident	51 Å²	51	64.9 Å²	64.9	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	162.5	-176.6	-62.8	-61.4	-79.1	0	0	111.3	P252 V253 L258 V268	M244-P252 CarbonylContact O-C 3.57Å; M244-P252 WeakPolarHBondContact O-CA 3.46Å; M244-V253 HydrophobicContact CB-CG2 3.99Å; M244-V253 PolarHBondContact N-O 3.02Å; M244-V253 VanDerWaalsContact N-O 3.11Å; M244-V253 PolarHBondContact O-N 3.34Å; M244-L258 HydrophobicContact CB-CD1 4.1Å; M244-L258 HydrophobicContact CG-CD1 3.9Å; M244-V268 HydrophobicContact CB-CB 4.4Å; M244-V268 HydrophobicContact CE-CB 4.18Å; M244-V268 HydrophobicContact CE-CG2 3.75Å
245	Y	88.9	Confident	82.8	Confident	30 Å²	30	70.5 Å²	70.5	12%	0.118	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.9	175.1	-175.6	-92.8	0	0	0	109.7	K250 V268 K269 L271 M274 H278	Y245-K250 VanDerWaalsContact CZ-C 3.46Å; Y245-K250 WeakPolarHBondContact OH-CA 3.36Å; Y245-K250 PolarHBondContact OH-O 3.4Å; Y245-K250 VanDerWaalsContact OH-O 3.04Å; Y245-V268 CarbonylContact O-C 3.59Å; Y245-V268 VanDerWaalsContact O-CA 3.28Å; Y245-V268 WeakPolarHBondContact O-CA 3.47Å; Y245-K269 PolarHBondContact N-O 3.29Å; Y245-K269 PolarHBondContact O-N 2.96Å; Y245-L271 HydrophobicContact CD2-CD1 4.4Å; Y245-M274 HydrophobicContact CD1-CB 4.3Å; Y245-M274 HydrophobicContact CD1-CE 4Å; Y245-M274 HydrophobicContact CD1-CG 3.9Å; Y245-M274 HydrophobicContact CE1-CE 3.98Å; Y245-M274 HydrophobicContact CG-CB 4.17Å; Y245-M274 HydrophobicContact CG-CG 4.12Å; Y245-H278 AromaticContact CZ-CE1 3.78Å
246	C	89.4	Confident	83.2	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	118.9	175.9	178.3	0	0	0	0	109.5	C249 K250 M251 V253 H266 V268	C246-C249 HydrophobicContact CB-CB 4.23Å; C246-C249 PolarHBondContact SG-N 2.92Å; C246-C249 VanDerWaalsContact SG-SG 3.68Å; C246-K250 WeakPolarHBondContact O-CA 3.41Å; C246-K250 PolarHBondContact O-N 3.08Å; C246-M251 PolarHBondContact N-O 3.46Å; C246-M251 PolarHBondContact O-N 3.39Å; C246-V253 HydrophobicContact CB-CG1 4.01Å; C246-V253 HydrophobicContact CB-CG2 4.28Å; C246-H266 WeakPolarHBondContact SG-CB 3.49Å; C246-V268 HydrophobicContact CB-CG1 4.01Å
247	V	87.5	Confident	83.8	Confident	45 Å²	45	64.4 Å²	64.4	27%	0.273	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-38.9	-175	-178.8	0	0	0	0	110.9	K250 E267 K269	V247-K250 WeakPolarHBondContact O-CG 3.33Å; V247-E267 PolarHBondContact N-O 2.88Å; V247-K269 HydrophobicContact CG2-CD 3.9Å; V247-K269 HydrophobicContact CG2-CG 3.98Å
248	Q	87.1	Confident	84	Confident	96 Å²	96	63.9 Å²	63.9	45%	0.449	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-47.8	178.5	-69.7	80.4	-3.5	0	0	111.6	K250 E267	Q248-K250 VanDerWaalsContact C-N 3.31Å; Q248-E267 PolarHBondContact OE1-O 2.93Å
249	C	82.9	Confident	84.2	Confident	50 Å²	50	62.2 Å²	62.2	34%	0.338	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.9	-177.8	-58.9	0	0	0	0	113.5	C246 M251 H263 H266	C246-C249 HydrophobicContact CB-CB 4.23Å; C246-C249 PolarHBondContact SG-N 2.92Å; C246-C249 VanDerWaalsContact SG-SG 3.68Å; C249-M251 HydrophobicContact CB-CG 3.82Å; C249-M251 HydrophobicContact CB-SD 4.12Å; C249-M251 PolarHBondContact O-N 3.04Å; C249-H263 PolarHBondContact SG-CE1 3.26Å; C249-H263 PolarHBondContact SG-ND1 3.28Å; C249-H263 VanDerWaalsContact SG-ND1 3.38Å; C249-H266 PolarHBondContact SG-CE1 3.48Å; C249-H266 PolarHBondContact SG-ND1 3.2Å; C249-H266 VanDerWaalsContact SG-ND1 3.35Å
250	K	85.4	Confident	83.9	Confident	166 Å²	166	61.9 Å²	61.9	72%	0.722	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.9	-179.3	-60.7	-174.1	178	-178.4	0	114.2	Y245 C246 V247 Q248	Y245-K250 VanDerWaalsContact CZ-C 3.46Å; Y245-K250 WeakPolarHBondContact OH-CA 3.36Å; Y245-K250 PolarHBondContact OH-O 3.4Å; Y245-K250 VanDerWaalsContact OH-O 3.04Å; C246-K250 WeakPolarHBondContact O-CA 3.41Å; C246-K250 PolarHBondContact O-N 3.08Å; V247-K250 WeakPolarHBondContact O-CG 3.33Å; Q248-K250 VanDerWaalsContact C-N 3.31Å
251	M	83.3	Confident	83.5	Confident	75 Å²	75	60.4 Å²	60.4	37%	0.369	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	150.5	-176	66.1	-175.1	-67.3	0	0	112.5	C246 C249 V253	C246-M251 PolarHBondContact N-O 3.46Å; C246-M251 PolarHBondContact O-N 3.39Å; C249-M251 HydrophobicContact CB-CG 3.82Å; C249-M251 HydrophobicContact CB-SD 4.12Å; C249-M251 PolarHBondContact O-N 3.04Å; M251-V253 HydrophobicContact CG-CG1 4.28Å
252	P	85.9	Confident	83	Confident	54 Å²	54	64.8 Å²	64.8	35%	0.351	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	140.6	171.5	30.6	-34.8	0	0	0	110.7	L242 M244 L271	L242-P252 HydrophobicContact CB-CB 4.33Å; L242-P252 HydrophobicContact CD1-CB 4.15Å; L242-P252 HydrophobicContact CD1-CG 4.04Å; L242-P252 HydrophobicContact CD2-CB 4.43Å; M244-P252 CarbonylContact O-C 3.57Å; M244-P252 WeakPolarHBondContact O-CA 3.46Å; P252-L271 HydrophobicContact CB-CD1 3.94Å
253	V	85.7	Confident	82.9	Confident	2 Å²	2	64 Å²	64	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.2	-179	-63	0	0	0	0	110.4	S243 M244 C246 M251 C257 L258 V268	S243-V253 PolarHBondContact N-O 2.89Å; M244-V253 HydrophobicContact CB-CG2 3.99Å; M244-V253 PolarHBondContact N-O 3.02Å; M244-V253 VanDerWaalsContact N-O 3.11Å; M244-V253 PolarHBondContact O-N 3.34Å; C246-V253 HydrophobicContact CB-CG1 4.01Å; C246-V253 HydrophobicContact CB-CG2 4.28Å; M251-V253 HydrophobicContact CG-CG1 4.28Å; V253-C257 HydrophobicContact CB-CB 4.17Å; V253-L258 HydrophobicContact CG2-CD2 3.82Å; V253-L258 HydrophobicContact CG2-CG 4.16Å; V253-V268 HydrophobicContact CG2-CG1 4.36Å
254	C	87.7	Confident	82.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	175.4	171.7	68.7	0	0	0	0	111.1	C234 E240 N241 L242 C257	C234-C254 HydrophobicContact CB-CB 3.88Å; C234-C254 VanDerWaalsContact CB-SG 3.58Å; E240-C254 HydrophobicContact CB-CB 3.73Å; N241-C254 VanDerWaalsContact O-CB 3.26Å; N241-C254 WeakPolarHBondContact O-CB 3.46Å; L242-C254 HydrophobicContact CD2-CB 4.38Å; C254-C257 PolarHBondContact O-N 3.28Å; C254-C257 VanDerWaalsContact SG-SG 3.61Å
255	Y	82.5	Confident	82.3	Confident	126 Å²	126	67.6 Å²	67.6	49%	0.494	35%	0.351	S	S	.	.	H	α-helix	trans	-62.3	-44.7	179.8	-178.2	-101.7	0	0	0	112.9	C257 L258 E259	Y255-C257 VanDerWaalsContact C-N 3.3Å; Y255-C257 PolarHBondContact O-N 2.91Å; Y255-L258 WeakPolarHBondContact O-CA 3.47Å; Y255-L258 WeakPolarHBondContact O-CB 3.23Å; Y255-L258 PolarHBondContact O-N 2.98Å; Y255-E259 HydrophobicContact CE1-CB 4.34Å; Y255-E259 WeakPolarHBondContact CE1-OE2 3.4Å; Y255-E259 PolarHBondContact O-N 3.44Å; Y255-E259 VanDerWaalsContact OH-CD 3.27Å; Y255-E259 PolarHBondContact OH-OE1 3.3Å; Y255-E259 PolarHBondContact OH-OE2 3.24Å
256	Q	83	Confident	82.3	Confident	63 Å²	63	69.1 Å²	69.1	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-33.8	178.7	-70.3	179.7	5.3	0	0	113.2	H237 E240 L258 E259 E260 G261	H237-Q256 HydrophobicContact CB-CB 4.44Å; H237-Q256 PolarHBondContact CD2-OE1 3.2Å; H237-Q256 VanDerWaalsContact CG-OE1 3.3Å; E240-Q256 HydrophobicContact CG-CB 4.28Å; E240-Q256 HydrophobicContact CG-CG 3.72Å; E240-Q256 VanDerWaalsContact CG-NE2 3.31Å; E240-Q256 PolarHBondContact OE1-NE2 2.81Å; Q256-L258 PolarHBondContact O-N 3.39Å; Q256-E259 PolarHBondContact O-N 3.47Å; Q256-E260 PolarHBondContact O-N 2.96Å; Q256-G261 PolarHBondContact O-N 3.42Å
257	C	83.2	Confident	82.2	Confident	4 Å²	4	73.8 Å²	73.8	3%	0.027	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-24.1	173.7	-72.5	0	0	0	0	113.6	H237 V253 C254 Y255 G261 H263	H237-C257 VanDerWaalsContact CE1-SG 3.52Å; H237-C257 PolarHBondContact ND1-SG 3.13Å; V253-C257 HydrophobicContact CB-CB 4.17Å; C254-C257 PolarHBondContact O-N 3.28Å; C254-C257 VanDerWaalsContact SG-SG 3.61Å; Y255-C257 VanDerWaalsContact C-N 3.3Å; Y255-C257 PolarHBondContact O-N 2.91Å; C257-G261 CarbonylContact O-C 3.58Å; C257-G261 VanDerWaalsContact O-CA 3.23Å; C257-G261 WeakPolarHBondContact O-CA 3.33Å; C257-G261 PolarHBondContact O-N 3.05Å; C257-H263 PolarHBondContact O-N 2.84Å
258	L	82.4	Confident	82.3	Confident	31 Å²	31	73.8 Å²	73.8	16%	0.162	38%	0.381	C	S	.	.	H	α-helix	trans	-85	-41.8	176.8	-62.1	172.9	0	0	0	111.3	M244 V253 Y255 Q256 H263 G264 V268	M244-L258 HydrophobicContact CB-CD1 4.1Å; M244-L258 HydrophobicContact CG-CD1 3.9Å; V253-L258 HydrophobicContact CG2-CD2 3.82Å; V253-L258 HydrophobicContact CG2-CG 4.16Å; Y255-L258 WeakPolarHBondContact O-CA 3.47Å; Y255-L258 WeakPolarHBondContact O-CB 3.23Å; Y255-L258 PolarHBondContact O-N 2.98Å; Q256-L258 PolarHBondContact O-N 3.39Å; L258-H263 HydrophobicContact CD2-CB 4.05Å; L258-G264 WeakPolarHBondContact O-CA 3.49Å; L258-G264 PolarHBondContact O-N 3.08Å; L258-V268 HydrophobicContact CD1-CG2 4.33Å; L258-V268 HydrophobicContact CD2-CB 4.29Å; L258-V268 HydrophobicContact CD2-CG1 3.44Å; L258-V268 VanDerWaalsContact CD2-CG1 3.44Å; L258-V268 HydrophobicContact CD2-CG2 4.15Å
259	E	78.8	Confident	82.4	Confident	120 Å²	120	73.5 Å²	73.5	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-81.7	-43.4	-173.6	-163.6	170.8	-134	0	0	112.5	Y255 Q256	Y255-E259 HydrophobicContact CE1-CB 4.34Å; Y255-E259 WeakPolarHBondContact CE1-OE2 3.4Å; Y255-E259 PolarHBondContact O-N 3.44Å; Y255-E259 VanDerWaalsContact OH-CD 3.27Å; Y255-E259 PolarHBondContact OH-OE1 3.3Å; Y255-E259 PolarHBondContact OH-OE2 3.24Å; Q256-E259 PolarHBondContact O-N 3.47Å
260	E	69.3	Low	82.7	Confident	160 Å²	160	73.7 Å²	73.7	75%	0.748	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-9	-174.2	-59.3	-174.2	164.1	0	0	113.1	Q256	Q256-E260 PolarHBondContact O-N 2.96Å
261	G	71.6	Confident	82.8	Confident	30 Å²	30	68.4 Å²	68.4	31%	0.309	36%	0.363	S	S	.	.	S	Bend	trans	-99.2	-175.3	-174.9	0	0	0	0	0	115.2	Q256 C257 H263	Q256-G261 PolarHBondContact O-N 3.42Å; C257-G261 CarbonylContact O-C 3.58Å; C257-G261 VanDerWaalsContact O-CA 3.23Å; C257-G261 WeakPolarHBondContact O-CA 3.33Å; C257-G261 PolarHBondContact O-N 3.05Å; G261-H263 PolarHBondContact O-N 3.3Å
262	K	72.3	Confident	82.9	Confident	163 Å²	163	67 Å²	67	71%	0.709	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	3.6	-176.9	-61.7	-180	-179	177.8	0	114.8	H266	K262-H266 PolarHBondContact O-CE1 3Å
263	H	82	Confident	82.9	Confident	18 Å²	18	67.3 Å²	67.3	8%	0.083	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	5.3	-173.2	-57.5	-94.6	0	0	0	114.4	C249 C257 L258 G261 T265 H266	C249-H263 PolarHBondContact SG-CE1 3.26Å; C249-H263 PolarHBondContact SG-ND1 3.28Å; C249-H263 VanDerWaalsContact SG-ND1 3.38Å; C257-H263 PolarHBondContact O-N 2.84Å; L258-H263 HydrophobicContact CD2-CB 4.05Å; G261-H263 PolarHBondContact O-N 3.3Å; H263-T265 PolarHBondContact O-N 2.94Å; H263-H266 HydrophobicContact CB-CB 4.5Å; H263-H266 AromaticContact CG-ND1 3.91Å; H263-H266 AromaticContact ND1-ND1 3.37Å; H263-H266 PolarHBondContact ND1-ND1 2.78Å; H263-H266 PolarHBondContact O-N 3.34Å
264	G	77.8	Confident	83	Confident	52 Å²	52	68.1 Å²	68.1	54%	0.536	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.6	-177.8	0	0	0	0	0	115.5	L258	L258-G264 WeakPolarHBondContact O-CA 3.49Å; L258-G264 PolarHBondContact O-N 3.08Å
265	T	81.1	Confident	83	Confident	134 Å²	134	74.7 Å²	74.7	82%	0.822	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	1.8	175.9	58	0	0	0	0	113.6	H263	H263-T265 PolarHBondContact O-N 2.94Å
266	H	89.5	Confident	83.3	Confident	63 Å²	63	75.9 Å²	75.9	29%	0.292	41%	0.411	S	S	.	.	S	Bend	trans	-90.1	146.6	-178	-66.4	159.8	0	0	0	112	C246 C249 K262 H263 V268	C246-H266 WeakPolarHBondContact SG-CB 3.49Å; C249-H266 PolarHBondContact SG-CE1 3.48Å; C249-H266 PolarHBondContact SG-ND1 3.2Å; C249-H266 VanDerWaalsContact SG-ND1 3.35Å; K262-H266 PolarHBondContact O-CE1 3Å; H263-H266 HydrophobicContact CB-CB 4.5Å; H263-H266 AromaticContact CG-ND1 3.91Å; H263-H266 AromaticContact ND1-ND1 3.37Å; H263-H266 PolarHBondContact ND1-ND1 2.78Å; H263-H266 PolarHBondContact O-N 3.34Å; H266-V268 PolarHBondContact O-N 2.84Å
267	E	87.4	Confident	83.6	Confident	98 Å²	98	77.2 Å²	77.2	46%	0.458	42%	0.42	S	S	.	.			trans	-67	121.2	171.4	-171.5	-167.1	159.6	0	0	109.6	V247 Q248 K269	V247-E267 PolarHBondContact N-O 2.88Å; Q248-E267 PolarHBondContact OE1-O 2.93Å; E267-K269 WeakPolarHBondContact OE1-CE 3.49Å; E267-K269 IonicContact OE1-NZ 2.83Å; E267-K269 PolarHBondContact OE1-NZ 3.18Å
268	V	89.5	Confident	83.9	Confident	44 Å²	44	80.6 Å²	80.6	27%	0.267	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	141.1	179.3	-64.5	0	0	0	0	111.2	M244 Y245 C246 V253 L258 H266	M244-V268 HydrophobicContact CB-CB 4.4Å; M244-V268 HydrophobicContact CE-CB 4.18Å; M244-V268 HydrophobicContact CE-CG2 3.75Å; Y245-V268 CarbonylContact O-C 3.59Å; Y245-V268 VanDerWaalsContact O-CA 3.28Å; Y245-V268 WeakPolarHBondContact O-CA 3.47Å; C246-V268 HydrophobicContact CB-CG1 4.01Å; V253-V268 HydrophobicContact CG2-CG1 4.36Å; L258-V268 HydrophobicContact CD1-CG2 4.33Å; L258-V268 HydrophobicContact CD2-CB 4.29Å; L258-V268 HydrophobicContact CD2-CG1 3.44Å; L258-V268 VanDerWaalsContact CD2-CG1 3.44Å; L258-V268 HydrophobicContact CD2-CG2 4.15Å; H266-V268 PolarHBondContact O-N 2.84Å
269	K	89.9	Confident	84.2	Confident	90 Å²	90	84.3 Å²	84.3	39%	0.391	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.8	177.4	-68.7	-178.5	179.9	170.8	0	110.1	Y245 V247 E267 L271 M274	Y245-K269 PolarHBondContact N-O 3.29Å; Y245-K269 PolarHBondContact O-N 2.96Å; V247-K269 HydrophobicContact CG2-CD 3.9Å; V247-K269 HydrophobicContact CG2-CG 3.98Å; E267-K269 WeakPolarHBondContact OE1-CE 3.49Å; E267-K269 IonicContact OE1-NZ 2.83Å; E267-K269 PolarHBondContact OE1-NZ 3.18Å; K269-L271 PolarHBondContact O-N 3.04Å; K269-M274 HydrophobicContact CB-CG 3.67Å; K269-M274 HydrophobicContact CB-SD 4.07Å; K269-M274 HydrophobicContact CD-CG 4.43Å; K269-M274 HydrophobicContact CD-SD 3.66Å; K269-M274 HydrophobicContact CG-SD 4.45Å
270	A	88.9	Confident	84.7	Confident	55 Å²	55	80.5 Å²	80.5	46%	0.455	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	127.6	175.4	0	0	0	0	0	110.4	G272 A273 M274	A270-G272 PolarHBondContact O-N 3.3Å; A270-A273 HydrophobicContact CB-CB 4.39Å; A270-A273 PolarHBondContact O-N 2.97Å; A270-M274 PolarHBondContact O-N 3.41Å
271	L	87.4	Confident	85.7	Confident	54 Å²	54	77.7 Å²	77.7	28%	0.283	43%	0.43	S	S	.	.	H	α-helix	trans	-57.4	-38.1	-174.5	-176.9	64.1	0	0	0	112.2	L242 S243 Y245 P252 K269 A273 M274 W275	L242-L271 HydrophobicContact CB-CD2 4.49Å; L242-L271 WeakPolarHBondContact O-CD2 3.35Å; S243-L271 WeakPolarHBondContact O-CB 3.35Å; S243-L271 PolarHBondContact O-N 3.43Å; Y245-L271 HydrophobicContact CD2-CD1 4.4Å; P252-L271 HydrophobicContact CB-CD1 3.94Å; K269-L271 PolarHBondContact O-N 3.04Å; L271-A273 PolarHBondContact O-N 3.09Å; L271-M274 PolarHBondContact O-N 3.4Å; L271-W275 VanDerWaalsContact O-CB 3.25Å; L271-W275 WeakPolarHBondContact O-CB 3.44Å; L271-W275 PolarHBondContact O-N 3.28Å
272	G	84.5	Confident	86.6	Confident	46 Å²	46	81.4 Å²	81.4	47%	0.474	44%	0.443	S	S	.	.	H	α-helix	trans	-65.2	-33.8	178.1	0	0	0	0	0	114.4	A270 K276	A270-G272 PolarHBondContact O-N 3.3Å; G272-K276 PolarHBondContact O-N 3.29Å
273	A	85.6	Confident	87.5	Confident	60 Å²	60	77 Å²	77	50%	0.496	43%	0.432	S	S	.	.	H	α-helix	trans	-72.5	-47	176.9	0	0	0	0	0	110.8	A270 L271 W275 K276 L277	A270-A273 HydrophobicContact CB-CB 4.39Å; A270-A273 PolarHBondContact O-N 2.97Å; L271-A273 PolarHBondContact O-N 3.09Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 3.09Å; A273-K276 PolarHBondContact O-N 3.03Å; A273-L277 PolarHBondContact O-N 2.93Å; A273-L277 VanDerWaalsContact O-N 3.08Å
274	M	89.8	Confident	88	Confident	19 Å²	19	83 Å²	83	9%	0.094	46%	0.46	C	S	.	.	H	α-helix	trans	-63.3	-35.3	176	-69.6	-55.7	-62.2	0	0	112.4	Y245 K269 A270 L271 L277 H278	Y245-M274 HydrophobicContact CD1-CB 4.3Å; Y245-M274 HydrophobicContact CD1-CE 4Å; Y245-M274 HydrophobicContact CD1-CG 3.9Å; Y245-M274 HydrophobicContact CE1-CE 3.98Å; Y245-M274 HydrophobicContact CG-CB 4.17Å; Y245-M274 HydrophobicContact CG-CG 4.12Å; K269-M274 HydrophobicContact CB-CG 3.67Å; K269-M274 HydrophobicContact CB-SD 4.07Å; K269-M274 HydrophobicContact CD-CG 4.43Å; K269-M274 HydrophobicContact CD-SD 3.66Å; K269-M274 HydrophobicContact CG-SD 4.45Å; A270-M274 PolarHBondContact O-N 3.41Å; L271-M274 PolarHBondContact O-N 3.4Å; M274-L277 HydrophobicContact CE-CD2 4.24Å; M274-L277 PolarHBondContact O-N 3.08Å; M274-L277 HydrophobicContact SD-CD2 4.19Å; M274-H278 VanDerWaalsContact CE-NE2 3.31Å; M274-H278 WeakPolarHBondContact CE-NE2 3.33Å; M274-H278 WeakPolarHBondContact O-CB 3.42Å; M274-H278 PolarHBondContact O-N 3.29Å
275	W	87.3	Confident	88.6	Confident	139 Å²	139	83.6 Å²	83.6	53%	0.527	46%	0.46	S	S	.	.	H	α-helix	trans	-59.8	-45.3	173.6	168.4	79.4	0	0	0	113	L271 A273 K279	L271-W275 VanDerWaalsContact O-CB 3.25Å; L271-W275 WeakPolarHBondContact O-CB 3.44Å; L271-W275 PolarHBondContact O-N 3.28Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 3.09Å; W275-K279 HydrophobicContact CD2-CD 4.22Å; W275-K279 VanDerWaalsContact CE2-CE 3.45Å; W275-K279 VanDerWaalsContact CE2-NZ 3.33Å; W275-K279 HydrophobicContact CZ2-CD 4.02Å; W275-K279 WeakPolarHBondContact O-CB 3.37Å; W275-K279 WeakPolarHBondContact O-CG 3.47Å; W275-K279 PolarHBondContact O-N 2.96Å; W275-K279 VanDerWaalsContact O-N 3.08Å
276	K	88.3	Confident	89.1	Confident	150 Å²	150	81.7 Å²	81.7	65%	0.652	44%	0.444	S	S	*	.	H	α-helix	trans	-64.6	-44.4	175.8	-71.1	-174.3	-177.5	177.9	0	111	G272 A273 K279 G280	G272-K276 PolarHBondContact O-N 3.29Å; A273-K276 PolarHBondContact O-N 3.03Å; K276-K279 PolarHBondContact O-N 2.96Å; K276-G280 PolarHBondContact O-N 3.3Å
277	L	89.9	Confident	89.2	Confident	91 Å²	91	83.6 Å²	83.6	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-52.7	179.7	-179.1	62.4	0	0	0	111.9	A273 M274 K279 G280 Q281	A273-L277 PolarHBondContact O-N 2.93Å; A273-L277 VanDerWaalsContact O-N 3.08Å; M274-L277 HydrophobicContact CE-CD2 4.24Å; M274-L277 PolarHBondContact O-N 3.08Å; M274-L277 HydrophobicContact SD-CD2 4.19Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 2.93Å; L277-G280 PolarHBondContact O-N 3Å; L277-G280 VanDerWaalsContact O-N 3.13Å; L277-Q281 WeakPolarHBondContact O-CG 3.41Å; L277-Q281 PolarHBondContact O-N 3.22Å
278	H	89.4	Confident	89.4	Confident	75 Å²	75	80.3 Å²	80.3	35%	0.347	45%	0.449	S	S	.	.	H	α-helix	trans	-64.2	-34.1	180	-75.1	-168.8	0	0	0	112.4	Y245 M274 Q281 L282	Y245-H278 AromaticContact CZ-CE1 3.78Å; M274-H278 VanDerWaalsContact CE-NE2 3.31Å; M274-H278 WeakPolarHBondContact CE-NE2 3.33Å; M274-H278 WeakPolarHBondContact O-CB 3.42Å; M274-H278 PolarHBondContact O-N 3.29Å; H278-Q281 PolarHBondContact CD2-OE1 3.32Å; H278-Q281 PolarHBondContact O-N 3.39Å; H278-L282 WeakPolarHBondContact O-CB 3.02Å; H278-L282 PolarHBondContact O-N 3Å
279	K	87.4	Confident	89.5	Confident	109 Å²	109	83.2 Å²	83.2	47%	0.474	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-45.9	171.5	-83.8	-176.3	162.7	-169.5	0	112.1	W275 K276 L277 L282 S283	W275-K279 HydrophobicContact CD2-CD 4.22Å; W275-K279 VanDerWaalsContact CE2-CE 3.45Å; W275-K279 VanDerWaalsContact CE2-NZ 3.33Å; W275-K279 HydrophobicContact CZ2-CD 4.02Å; W275-K279 WeakPolarHBondContact O-CB 3.37Å; W275-K279 WeakPolarHBondContact O-CG 3.47Å; W275-K279 PolarHBondContact O-N 2.96Å; W275-K279 VanDerWaalsContact O-N 3.08Å; K276-K279 PolarHBondContact O-N 2.96Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 2.93Å; K279-L282 PolarHBondContact O-N 3.49Å; K279-S283 PolarHBondContact O-N 3.01Å; K279-S283 PolarHBondContact O-OG 3.03Å
280	G	89.1	Confident	89.6	Confident	41 Å²	41	82.2 Å²	82.2	42%	0.423	47%	0.466	S	S	.	.	H	α-helix	trans	-60.3	-46	176.2	0	0	0	0	0	112.2	K276 L277 L282 S283 Q284	K276-G280 PolarHBondContact O-N 3.3Å; L277-G280 PolarHBondContact O-N 3Å; L277-G280 VanDerWaalsContact O-N 3.13Å; G280-L282 PolarHBondContact O-N 3.02Å; G280-S283 PolarHBondContact O-N 3.45Å; G280-Q284 WeakPolarHBondContact O-CB 3.4Å; G280-Q284 PolarHBondContact O-N 2.9Å
281	Q	91.2	Very high	89.8	Confident	100 Å²	100	84.2 Å²	84.2	47%	0.467	47%	0.47	S	S	.	.	H	α-helix	trans	-61.1	-44	176.7	-72.3	175.9	-31.4	0	0	112.5	L277 H278 Q284 A285	L277-Q281 WeakPolarHBondContact O-CG 3.41Å; L277-Q281 PolarHBondContact O-N 3.22Å; H278-Q281 PolarHBondContact CD2-OE1 3.32Å; H278-Q281 PolarHBondContact O-N 3.39Å; Q281-Q284 PolarHBondContact O-N 3.46Å; Q281-A285 WeakPolarHBondContact O-CB 3.31Å; Q281-A285 PolarHBondContact O-N 2.93Å
282	L	90.4	Very high	90.1	Very high	109 Å²	109	89.8 Å²	89.8	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-64.2	-44.4	177.1	-178.7	61.8	0	0	0	111.4	H278 K279 G280 Q284 A285 L286	H278-L282 WeakPolarHBondContact O-CB 3.02Å; H278-L282 PolarHBondContact O-N 3Å; K279-L282 PolarHBondContact O-N 3.49Å; G280-L282 PolarHBondContact O-N 3.02Å; L282-Q284 VanDerWaalsContact C-N 3.35Å; L282-Q284 PolarHBondContact O-N 3.31Å; L282-A285 PolarHBondContact O-N 3.21Å; L282-L286 HydrophobicContact CD1-CD1 4.47Å; L282-L286 HydrophobicContact CD1-CG 4.39Å; L282-L286 HydrophobicContact CG-CD1 4.15Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 VanDerWaalsContact O-CG 3.25Å; L282-L286 WeakPolarHBondContact O-CG 3.14Å; L282-L286 PolarHBondContact O-N 3.36Å
283	S	91.4	Very high	90.4	Very high	69 Å²	69	89.8 Å²	89.8	48%	0.483	48%	0.482	S	S	.	.	H	α-helix	trans	-60.8	-42.1	176	-70	0	0	0	0	112.3	K279 G280 L286 N287	K279-S283 PolarHBondContact O-N 3.01Å; K279-S283 PolarHBondContact O-OG 3.03Å; G280-S283 PolarHBondContact O-N 3.45Å; S283-L286 PolarHBondContact O-N 3.09Å; S283-N287 PolarHBondContact O-N 2.81Å
284	Q	91.9	Very high	90.8	Very high	146 Å²	146	90 Å²	90	68%	0.682	48%	0.477	S	S	*	.	H	α-helix	trans	-64.3	-44.4	175.9	-173.8	-179.9	15.5	0	0	111.9	G280 Q281 L282 L286 N287 G288	G280-Q284 WeakPolarHBondContact O-CB 3.4Å; G280-Q284 PolarHBondContact O-N 2.9Å; Q281-Q284 PolarHBondContact O-N 3.46Å; L282-Q284 VanDerWaalsContact C-N 3.35Å; L282-Q284 PolarHBondContact O-N 3.31Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 2.87Å; Q284-N287 PolarHBondContact O-N 2.83Å; Q284-G288 PolarHBondContact O-N 3.5Å; Q284-G288 VanDerWaalsContact O-N 3.09Å
285	A	91.6	Very high	91	Very high	63 Å²	63	94.9 Å²	94.9	52%	0.521	50%	0.5	S	S	.	.	H	α-helix	trans	-62.8	-36.7	176.7	0	0	0	0	0	112.3	Q281 L282 G288 L289	Q281-A285 WeakPolarHBondContact O-CB 3.31Å; Q281-A285 PolarHBondContact O-N 2.93Å; L282-A285 PolarHBondContact O-N 3.21Å; A285-G288 PolarHBondContact O-N 3.25Å; A285-L289 PolarHBondContact O-N 2.94Å
286	L	91.6	Very high	91.3	Very high	94 Å²	94	90.8 Å²	90.8	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-66.7	-41.3	175.5	-74.4	171.3	0	0	0	112.3	L282 S283 Q284 L289 S290	L282-L286 HydrophobicContact CD1-CD1 4.47Å; L282-L286 HydrophobicContact CD1-CG 4.39Å; L282-L286 HydrophobicContact CG-CD1 4.15Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 VanDerWaalsContact O-CG 3.25Å; L282-L286 WeakPolarHBondContact O-CG 3.14Å; L282-L286 PolarHBondContact O-N 3.36Å; S283-L286 PolarHBondContact O-N 3.09Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 2.87Å; L286-L289 PolarHBondContact O-N 3.04Å; L286-S290 PolarHBondContact O-N 3.4Å
287	N	91.1	Very high	91.6	Very high	103 Å²	103	90.3 Å²	90.3	55%	0.551	49%	0.494	S	S	*	.	H	α-helix	trans	-59.7	-48.7	174.2	-68	-14.9	0	0	0	110.4	S283 Q284 L289 S290 D291	S283-N287 PolarHBondContact O-N 2.81Å; Q284-N287 PolarHBondContact O-N 2.83Å; N287-L289 PolarHBondContact O-N 2.93Å; N287-S290 WeakPolarHBondContact O-CB 3.44Å; N287-S290 PolarHBondContact O-N 3.3Å; N287-D291 VanDerWaalsContact O-CG 3.3Å; N287-D291 PolarHBondContact O-N 2.95Å
288	G	91.1	Very high	91.8	Very high	29 Å²	29	91.5 Å²	91.5	30%	0.299	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-20.8	177.1	0	0	0	0	0	115	Q284 A285 R292	Q284-G288 PolarHBondContact O-N 3.5Å; Q284-G288 VanDerWaalsContact O-N 3.09Å; A285-G288 PolarHBondContact O-N 3.25Å; G288-R292 WeakPolarHBondContact O-CG 3.4Å; G288-R292 PolarHBondContact O-NE 3.31Å
289	L	92.6	Very high	92.1	Very high	106 Å²	106	93.4 Å²	93.4	56%	0.555	51%	0.505	S	S	*	.	H	α-helix	trans	-78.8	-39.3	169.6	-178.8	61.9	0	0	0	111.4	A285 L286 N287 R292 A293	A285-L289 PolarHBondContact O-N 2.94Å; L286-L289 PolarHBondContact O-N 3.04Å; N287-L289 PolarHBondContact O-N 2.93Å; L289-R292 PolarHBondContact O-N 3.06Å; L289-A293 WeakPolarHBondContact O-CB 3.28Å; L289-A293 PolarHBondContact O-N 3.17Å
290	S	91.2	Very high	92.4	Very high	68 Å²	68	92.6 Å²	92.6	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-41.2	176.5	-172.8	0	0	0	0	112	L286 N287 A293 T294	L286-S290 PolarHBondContact O-N 3.4Å; N287-S290 WeakPolarHBondContact O-CB 3.44Å; N287-S290 PolarHBondContact O-N 3.3Å; S290-A293 PolarHBondContact O-N 3.46Å; S290-T294 PolarHBondContact O-N 3.4Å; S290-T294 PolarHBondContact O-OG1 3.38Å
291	D	92.6	Very high	92.8	Very high	98 Å²	98	94.1 Å²	94.1	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-62	-50.5	176.9	-63	-22.6	0	0	0	110	N287 A293 T294 E295	N287-D291 VanDerWaalsContact O-CG 3.3Å; N287-D291 PolarHBondContact O-N 2.95Å; D291-A293 VanDerWaalsContact C-N 3.29Å; D291-A293 PolarHBondContact O-N 3.21Å; D291-T294 WeakPolarHBondContact O-CA 3.37Å; D291-T294 WeakPolarHBondContact O-CB 3.44Å; D291-T294 PolarHBondContact O-N 3.05Å; D291-E295 PolarHBondContact O-N 2.94Å
292	R	93.1	Very high	92.9	Very high	170 Å²	170	95.1 Å²	95.1	64%	0.642	51%	0.51	S	S	*	.	H	α-helix	trans	-60.1	-35.3	174.9	-76.3	-168.5	-83	-167.4	-4.5	113.7	G288 L289 T294 A296	G288-R292 WeakPolarHBondContact O-CG 3.4Å; G288-R292 PolarHBondContact O-NE 3.31Å; L289-R292 PolarHBondContact O-N 3.06Å; R292-T294 VanDerWaalsContact C-N 3.28Å; R292-T294 PolarHBondContact O-N 3.29Å; R292-A296 WeakPolarHBondContact O-CB 3.14Å; R292-A296 PolarHBondContact O-N 3.37Å
293	A	91.8	Very high	93.1	Very high	46 Å²	46	93.8 Å²	93.8	38%	0.38	50%	0.504	S	S	.	.	H	α-helix	trans	-68	-30.1	174.8	0	0	0	0	0	112.1	L289 S290 D291 K297	L289-A293 WeakPolarHBondContact O-CB 3.28Å; L289-A293 PolarHBondContact O-N 3.17Å; S290-A293 PolarHBondContact O-N 3.46Å; D291-A293 VanDerWaalsContact C-N 3.29Å; D291-A293 PolarHBondContact O-N 3.21Å; A293-K297 WeakPolarHBondContact O-CG 3.45Å; A293-K297 PolarHBondContact O-N 3.35Å
294	T	93.9	Very high	93.4	Very high	64 Å²	64	98.9 Å²	98.9	39%	0.393	51%	0.512	S	S	.	.	H	α-helix	trans	-73.9	-46.3	175.6	-54	0	0	0	0	110.6	S290 D291 R292 A296 K297 E298	S290-T294 PolarHBondContact O-N 3.4Å; S290-T294 PolarHBondContact O-OG1 3.38Å; D291-T294 WeakPolarHBondContact O-CA 3.37Å; D291-T294 WeakPolarHBondContact O-CB 3.44Å; D291-T294 PolarHBondContact O-N 3.05Å; R292-T294 VanDerWaalsContact C-N 3.28Å; R292-T294 PolarHBondContact O-N 3.29Å; T294-A296 VanDerWaalsContact C-N 3.28Å; T294-A296 PolarHBondContact O-N 3.43Å; T294-K297 WeakPolarHBondContact O-CB 3.48Å; T294-K297 PolarHBondContact O-N 2.86Å; T294-E298 PolarHBondContact O-N 2.8Å
295	E	94.1	Very high	93.5	Very high	123 Å²	123	96.3 Å²	96.3	58%	0.575	50%	0.503	S	S	*	.	H	α-helix	trans	-54.8	-44.1	172.6	-69.1	172.5	-172.3	0	0	111.6	D291 K297 E298 F299	D291-E295 PolarHBondContact O-N 2.94Å; E295-K297 VanDerWaalsContact C-N 3.32Å; E295-K297 PolarHBondContact O-N 3.16Å; E295-E298 PolarHBondContact O-N 3.42Å; E295-F299 WeakPolarHBondContact O-CB 3.33Å; E295-F299 PolarHBondContact O-N 3.4Å
296	A	93.3	Very high	93.5	Very high	52 Å²	52	98.7 Å²	98.7	43%	0.43	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-37.4	176.6	0	0	0	0	0	112.7	R292 T294 L300	R292-A296 WeakPolarHBondContact O-CB 3.14Å; R292-A296 PolarHBondContact O-N 3.37Å; T294-A296 VanDerWaalsContact C-N 3.28Å; T294-A296 PolarHBondContact O-N 3.43Å; A296-L300 WeakPolarHBondContact O-CG 3.4Å; A296-L300 PolarHBondContact O-N 2.82Å
297	K	94.3	Very high	93.7	Very high	141 Å²	141	98 Å²	98	61%	0.613	51%	0.505	S	S	*	.	H	α-helix	trans	-67.6	-42.5	175.7	-75.1	172.5	-177.6	176.9	0	111.8	A293 T294 E295 F299 L300 V301	A293-K297 WeakPolarHBondContact O-CG 3.45Å; A293-K297 PolarHBondContact O-N 3.35Å; T294-K297 WeakPolarHBondContact O-CB 3.48Å; T294-K297 PolarHBondContact O-N 2.86Å; E295-K297 VanDerWaalsContact C-N 3.32Å; E295-K297 PolarHBondContact O-N 3.16Å; K297-F299 VanDerWaalsContact C-N 3.35Å; K297-L300 WeakPolarHBondContact O-CB 2.94Å; K297-L300 PolarHBondContact O-N 2.92Å; K297-V301 WeakPolarHBondContact O-CG2 3.35Å; K297-V301 PolarHBondContact O-N 2.93Å; K297-V301 VanDerWaalsContact O-N 3.09Å
298	E	95.2	Very high	94	Very high	116 Å²	116	98 Å²	98	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.3	-70.3	178.6	175.6	0	0	111.2	T294 E295 L300 V301 Q302	T294-E298 PolarHBondContact O-N 2.8Å; E295-E298 PolarHBondContact O-N 3.42Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.41Å; E298-V301 WeakPolarHBondContact O-CB 3.49Å; E298-V301 PolarHBondContact O-N 3.01Å; E298-V301 VanDerWaalsContact O-N 3.09Å; E298-Q302 WeakPolarHBondContact O-CG 3.39Å; E298-Q302 PolarHBondContact O-N 2.99Å
299	F	94.3	Very high	93.9	Very high	115 Å²	115	101.3 Å²	101.3	50%	0.504	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-40.4	174.9	-175.4	-117.2	0	0	0	112.4	E295 K297 V301 Q302 L303	E295-F299 WeakPolarHBondContact O-CB 3.33Å; E295-F299 PolarHBondContact O-N 3.4Å; K297-F299 VanDerWaalsContact C-N 3.35Å; F299-V301 VanDerWaalsContact C-N 3.31Å; F299-V301 PolarHBondContact O-N 3.33Å; F299-Q302 WeakPolarHBondContact O-CB 3.46Å; F299-Q302 PolarHBondContact O-N 3.43Å; F299-L303 HydrophobicContact CD1-CD1 4Å; F299-L303 HydrophobicContact CD1-CG 4.45Å; F299-L303 HydrophobicContact CE1-CD1 3.58Å; F299-L303 HydrophobicContact CE1-CG 4.11Å; F299-L303 HydrophobicContact CE2-CD2 4.38Å; F299-L303 HydrophobicContact CE2-CG 4.33Å; F299-L303 HydrophobicContact CZ-CD1 3.94Å; F299-L303 HydrophobicContact CZ-CD2 4.05Å; F299-L303 HydrophobicContact CZ-CG 4.04Å; F299-L303 WeakPolarHBondContact O-CG 3.47Å; F299-L303 PolarHBondContact O-N 3.23Å
300	L	95.5	Very high	93.8	Very high	92 Å²	92	101.4 Å²	101.4	48%	0.482	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-36.7	174	-75.7	172.4	0	0	0	112.8	A296 K297 E298 R304	A296-L300 WeakPolarHBondContact O-CG 3.4Å; A296-L300 PolarHBondContact O-N 2.82Å; K297-L300 WeakPolarHBondContact O-CB 2.94Å; K297-L300 PolarHBondContact O-N 2.92Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.41Å; L300-R304 WeakPolarHBondContact O-CG 3.45Å; L300-R304 PolarHBondContact O-N 3.14Å; L300-R304 VanDerWaalsContact O-N 3.08Å
301	V	96.8	Very high	94	Very high	73 Å²	73	104.1 Å²	104.1	44%	0.442	51%	0.514	S	S	.	.	H	α-helix	trans	-67.2	-43.5	174.1	174	0	0	0	0	110.5	K297 E298 F299 L303 R304 N305	K297-V301 WeakPolarHBondContact O-CG2 3.35Å; K297-V301 PolarHBondContact O-N 2.93Å; K297-V301 VanDerWaalsContact O-N 3.09Å; E298-V301 WeakPolarHBondContact O-CB 3.49Å; E298-V301 PolarHBondContact O-N 3.01Å; E298-V301 VanDerWaalsContact O-N 3.09Å; F299-V301 VanDerWaalsContact C-N 3.31Å; F299-V301 PolarHBondContact O-N 3.33Å; V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 3.1Å; V301-R304 PolarHBondContact O-N 3.22Å; V301-N305 PolarHBondContact O-N 3.46Å
302	Q	94.1	Very high	94	Very high	120 Å²	120	104.5 Å²	104.5	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-58.4	-44.9	175.4	-69.7	175.6	-2.2	0	0	111.9	E298 F299 R304 N305 M306	E298-Q302 WeakPolarHBondContact O-CG 3.39Å; E298-Q302 PolarHBondContact O-N 2.99Å; F299-Q302 WeakPolarHBondContact O-CB 3.46Å; F299-Q302 PolarHBondContact O-N 3.43Å; Q302-R304 VanDerWaalsContact C-N 3.34Å; Q302-R304 PolarHBondContact O-N 3.37Å; Q302-N305 PolarHBondContact O-N 3.44Å; Q302-M306 PolarHBondContact O-N 3.11Å
303	L	94.6	Very high	93.9	Very high	82 Å²	82	99.9 Å²	99.9	43%	0.429	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-40.6	176.2	-71.8	178.2	0	0	0	112.2	F299 V301 M306 V307	F299-L303 HydrophobicContact CD1-CD1 4Å; F299-L303 HydrophobicContact CD1-CG 4.45Å; F299-L303 HydrophobicContact CE1-CD1 3.58Å; F299-L303 HydrophobicContact CE1-CG 4.11Å; F299-L303 HydrophobicContact CE2-CD2 4.38Å; F299-L303 HydrophobicContact CE2-CG 4.33Å; F299-L303 HydrophobicContact CZ-CD1 3.94Å; F299-L303 HydrophobicContact CZ-CD2 4.05Å; F299-L303 HydrophobicContact CZ-CG 4.04Å; F299-L303 WeakPolarHBondContact O-CG 3.47Å; F299-L303 PolarHBondContact O-N 3.23Å; V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 3.1Å; L303-M306 WeakPolarHBondContact O-CB 3.47Å; L303-M306 PolarHBondContact O-N 2.94Å; L303-V307 WeakPolarHBondContact O-CG2 3.5Å; L303-V307 PolarHBondContact O-N 3.3Å
304	R	96	Very high	93.8	Very high	175 Å²	175	99.4 Å²	99.4	66%	0.66	50%	0.5	S	S	*	.	H	α-helix	trans	-63.4	-42.4	175.7	-75.3	174	178.6	161.6	0.7	112.2	L300 V301 Q302 M306 V307 Q308	L300-R304 WeakPolarHBondContact O-CG 3.45Å; L300-R304 PolarHBondContact O-N 3.14Å; L300-R304 VanDerWaalsContact O-N 3.08Å; V301-R304 PolarHBondContact O-N 3.22Å; Q302-R304 VanDerWaalsContact C-N 3.34Å; Q302-R304 PolarHBondContact O-N 3.37Å; R304-M306 VanDerWaalsContact C-N 3.34Å; R304-V307 PolarHBondContact O-N 2.93Å; R304-Q308 PolarHBondContact O-N 2.96Å
305	N	94.3	Very high	93.9	Very high	93 Å²	93	101.1 Å²	101.1	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-64.5	-40.1	176.3	-67.8	-8.8	0	0	0	111.5	V301 Q302 V307 Q308 H309	V301-N305 PolarHBondContact O-N 3.46Å; Q302-N305 PolarHBondContact O-N 3.44Å; N305-V307 VanDerWaalsContact C-N 3.33Å; N305-V307 PolarHBondContact O-N 3.34Å; N305-Q308 PolarHBondContact O-N 2.91Å; N305-H309 WeakPolarHBondContact O-CB 3.43Å; N305-H309 PolarHBondContact O-N 3.47Å
306	M	92.4	Very high	93.8	Very high	113 Å²	113	101.9 Å²	101.9	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-60.6	-43.8	175.2	-170.4	71.1	71.2	0	0	111.4	Q302 L303 R304 Q308 H309 I310	Q302-M306 PolarHBondContact O-N 3.11Å; L303-M306 WeakPolarHBondContact O-CB 3.47Å; L303-M306 PolarHBondContact O-N 2.94Å; R304-M306 VanDerWaalsContact C-N 3.34Å; M306-Q308 VanDerWaalsContact C-N 3.35Å; M306-Q308 PolarHBondContact O-N 2.92Å; M306-H309 PolarHBondContact O-N 3.46Å; M306-I310 HydrophobicContact CG-CD1 4.02Å; M306-I310 VanDerWaalsContact O-CG1 3.27Å; M306-I310 WeakPolarHBondContact O-CG1 3.5Å; M306-I310 PolarHBondContact O-N 3.22Å
307	V	96.3	Very high	93.6	Very high	80 Å²	80	105.5 Å²	105.5	49%	0.485	52%	0.52	S	S	.	.	H	α-helix	trans	-60.2	-45.5	175.7	169.8	0	0	0	0	111	L303 R304 N305 I310 Q311	L303-V307 WeakPolarHBondContact O-CG2 3.5Å; L303-V307 PolarHBondContact O-N 3.3Å; R304-V307 PolarHBondContact O-N 2.93Å; N305-V307 VanDerWaalsContact C-N 3.33Å; N305-V307 PolarHBondContact O-N 3.34Å; V307-I310 PolarHBondContact O-N 2.91Å; V307-Q311 VanDerWaalsContact O-CG 3.3Å; V307-Q311 WeakPolarHBondContact O-CG 3.3Å; V307-Q311 PolarHBondContact O-N 3.13Å
308	Q	95.8	Very high	93.6	Very high	102 Å²	102	104.8 Å²	104.8	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-46.1	177.3	-177.8	179	-11.5	0	0	111.7	R304 N305 M306 I310 Q311 E312	R304-Q308 PolarHBondContact O-N 2.96Å; N305-Q308 PolarHBondContact O-N 2.91Å; M306-Q308 VanDerWaalsContact C-N 3.35Å; M306-Q308 PolarHBondContact O-N 2.92Å; Q308-I310 VanDerWaalsContact C-N 3.35Å; Q308-I310 PolarHBondContact O-N 2.92Å; Q308-Q311 WeakPolarHBondContact O-CB 3.27Å; Q308-Q311 PolarHBondContact O-N 3.34Å; Q308-Q311 VanDerWaalsContact O-N 3.11Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.11Å; Q308-E312 PolarHBondContact NE2-OE1 3.38Å; Q308-E312 WeakPolarHBondContact O-CG 3.47Å; Q308-E312 PolarHBondContact O-N 3.26Å
309	H	90.5	Very high	93.5	Very high	99 Å²	99	102.1 Å²	102.1	46%	0.458	52%	0.517	S	S	.	.	H	α-helix	trans	-63.5	-39.1	179.1	-174.9	-90.3	0	0	0	112.5	N305 M306 Q311 E312 N313	N305-H309 WeakPolarHBondContact O-CB 3.43Å; N305-H309 PolarHBondContact O-N 3.47Å; M306-H309 PolarHBondContact O-N 3.46Å; H309-Q311 VanDerWaalsContact C-N 3.3Å; H309-Q311 PolarHBondContact O-N 3.49Å; H309-E312 PolarHBondContact O-N 3.04Å; H309-N313 PolarHBondContact CE1-ND2 3.36Å; H309-N313 PolarHBondContact ND1-ND2 3.04Å; H309-N313 WeakPolarHBondContact O-CB 3.37Å; H309-N313 VanDerWaalsContact O-CG 3.31Å; H309-N313 PolarHBondContact O-N 3Å
310	I	90.3	Very high	93.3	Very high	108 Å²	108	99.7 Å²	99.7	55%	0.554	51%	0.514	S	S	*	.	H	α-helix	trans	-62.5	-39.6	173.6	-70.1	166.6	0	0	0	110.8	M306 V307 Q308 G314	M306-I310 HydrophobicContact CG-CD1 4.02Å; M306-I310 VanDerWaalsContact O-CG1 3.27Å; M306-I310 WeakPolarHBondContact O-CG1 3.5Å; M306-I310 PolarHBondContact O-N 3.22Å; V307-I310 PolarHBondContact O-N 2.91Å; Q308-I310 VanDerWaalsContact C-N 3.35Å; Q308-I310 PolarHBondContact O-N 2.92Å; I310-G314 PolarHBondContact O-N 3.45Å
311	Q	94.8	Very high	93	Very high	125 Å²	125	98.3 Å²	98.3	58%	0.584	51%	0.506	S	S	*	.	H	α-helix	trans	-65.4	-46.7	177.3	-71.8	170.7	-20.4	0	0	111.8	V307 Q308 H309 G314 V315	V307-Q311 VanDerWaalsContact O-CG 3.3Å; V307-Q311 WeakPolarHBondContact O-CG 3.3Å; V307-Q311 PolarHBondContact O-N 3.13Å; Q308-Q311 WeakPolarHBondContact O-CB 3.27Å; Q308-Q311 PolarHBondContact O-N 3.34Å; Q308-Q311 VanDerWaalsContact O-N 3.11Å; H309-Q311 VanDerWaalsContact C-N 3.3Å; H309-Q311 PolarHBondContact O-N 3.49Å; Q311-G314 PolarHBondContact O-N 3.37Å; Q311-V315 WeakPolarHBondContact O-CG2 3.44Å; Q311-V315 PolarHBondContact O-N 3.04Å; Q311-V315 VanDerWaalsContact O-N 3.13Å
312	E	93.5	Very high	93	Very high	105 Å²	105	98.2 Å²	98.2	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-49.6	178.1	-71.2	170.9	-172.3	0	0	111.4	Q308 H309 G314 V315 E316	Q308-E312 WeakPolarHBondContact CG-OE1 3.11Å; Q308-E312 PolarHBondContact NE2-OE1 3.38Å; Q308-E312 WeakPolarHBondContact O-CG 3.47Å; Q308-E312 PolarHBondContact O-N 3.26Å; H309-E312 PolarHBondContact O-N 3.04Å; E312-G314 VanDerWaalsContact C-N 3.27Å; E312-G314 PolarHBondContact O-N 3.18Å; E312-V315 PolarHBondContact O-N 3.38Å; E312-E316 PolarHBondContact O-N 2.92Å; E312-E316 VanDerWaalsContact O-N 3.1Å
313	N	90.6	Very high	93	Very high	73 Å²	73	95.3 Å²	95.3	39%	0.39	50%	0.502	S	S	.	.	H	α-helix	trans	-61.6	-35.6	176.5	-74.1	5.7	0	0	0	112.6	H309 E316 F317	H309-N313 PolarHBondContact CE1-ND2 3.36Å; H309-N313 PolarHBondContact ND1-ND2 3.04Å; H309-N313 WeakPolarHBondContact O-CB 3.37Å; H309-N313 VanDerWaalsContact O-CG 3.31Å; H309-N313 PolarHBondContact O-N 3Å; N313-E316 PolarHBondContact O-N 2.98Å; N313-F317 VanDerWaalsContact O-CB 3.29Å; N313-F317 WeakPolarHBondContact O-CB 3.48Å; N313-F317 PolarHBondContact O-N 3.3Å
314	G	90.3	Very high	92.8	Very high	37 Å²	37	97.1 Å²	97.1	38%	0.381	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-45.4	176.6	0	0	0	0	0	112	I310 Q311 E312 F317 E318	I310-G314 PolarHBondContact O-N 3.45Å; Q311-G314 PolarHBondContact O-N 3.37Å; E312-G314 VanDerWaalsContact C-N 3.27Å; E312-G314 PolarHBondContact O-N 3.18Å; G314-F317 PolarHBondContact O-N 3.36Å; G314-E318 WeakPolarHBondContact O-CB 3.42Å; G314-E318 PolarHBondContact O-N 2.98Å
315	V	96.1	Very high	92.7	Very high	99 Å²	99	91.1 Å²	91.1	60%	0.6	49%	0.492	S	S	*	.	H	α-helix	trans	-64.4	-43	177.5	174.5	0	0	0	0	111.3	Q311 E312 E318 A319	Q311-V315 WeakPolarHBondContact O-CG2 3.44Å; Q311-V315 PolarHBondContact O-N 3.04Å; Q311-V315 VanDerWaalsContact O-N 3.13Å; E312-V315 PolarHBondContact O-N 3.38Å; V315-E318 PolarHBondContact O-N 3.5Å; V315-A319 WeakPolarHBondContact O-CB 3.35Å; V315-A319 PolarHBondContact O-N 2.92Å
316	E	91.3	Very high	92.8	Very high	139 Å²	139	90.7 Å²	90.7	65%	0.65	49%	0.49	S	S	*	.	H	α-helix	trans	-64	-43.2	177.3	-175.1	175.1	-165.4	0	0	112	E312 N313 E318 A319 C320	E312-E316 PolarHBondContact O-N 2.92Å; E312-E316 VanDerWaalsContact O-N 3.1Å; N313-E316 PolarHBondContact O-N 2.98Å; E316-E318 PolarHBondContact O-N 3.43Å; E316-A319 PolarHBondContact O-N 3.46Å; E316-C320 PolarHBondContact O-N 2.94Å
317	F	89	Confident	92.9	Very high	129 Å²	129	88.2 Å²	88.2	57%	0.566	49%	0.488	S	S	*	.	H	α-helix	trans	-62.3	-43.2	176.9	-175.7	-98.4	0	0	0	111.9	N313 G314 C320 L321 F436	N313-F317 VanDerWaalsContact O-CB 3.29Å; N313-F317 WeakPolarHBondContact O-CB 3.48Å; N313-F317 PolarHBondContact O-N 3.3Å; G314-F317 PolarHBondContact O-N 3.36Å; F317-C320 PolarHBondContact O-N 3.22Å; F317-L321 PolarHBondContact O-N 3.32Å; F317-F436 AromaticContact CE1-CE1 3.93Å; F317-F436 HydrophobicContact CE1-CE1 3.93Å; F317-F436 HydrophobicContact CZ-CD1 4.15Å; F317-F436 AromaticContact CZ-CE1 3.92Å; F317-F436 HydrophobicContact CZ-CE1 3.92Å
318	E	93.1	Very high	92.8	Very high	125 Å²	125	89 Å²	89	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-60.7	-46.3	175	-174.5	179.4	170.9	0	0	111.5	G314 V315 E316 C320 L321 V322	G314-E318 WeakPolarHBondContact O-CB 3.42Å; G314-E318 PolarHBondContact O-N 2.98Å; V315-E318 PolarHBondContact O-N 3.5Å; E316-E318 PolarHBondContact O-N 3.43Å; E318-C320 VanDerWaalsContact C-N 3.29Å; E318-C320 PolarHBondContact O-N 3.03Å; E318-L321 PolarHBondContact O-N 2.97Å; E318-V322 WeakPolarHBondContact O-CG2 3.45Å; E318-V322 PolarHBondContact O-N 3.42Å
319	A	93.1	Very high	92.8	Very high	61 Å²	61	88.4 Å²	88.4	50%	0.504	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-40.2	177.1	0	0	0	0	0	112.2	V315 E316 A323	V315-A319 WeakPolarHBondContact O-CB 3.35Å; V315-A319 PolarHBondContact O-N 2.92Å; E316-A319 PolarHBondContact O-N 3.46Å; A319-A323 WeakPolarHBondContact O-CB 3.36Å; A319-A323 PolarHBondContact O-N 2.93Å
320	C	90.6	Very high	93.1	Very high	64 Å²	64	87.6 Å²	87.6	43%	0.432	49%	0.487	S	S	.	.	H	α-helix	trans	-65.1	-44.6	176.1	-171.7	0	0	0	0	112	E316 F317 E318 A323 Q324	E316-C320 PolarHBondContact O-N 2.94Å; F317-C320 PolarHBondContact O-N 3.22Å; E318-C320 VanDerWaalsContact C-N 3.29Å; E318-C320 PolarHBondContact O-N 3.03Å; C320-A323 PolarHBondContact O-N 3.48Å; C320-Q324 WeakPolarHBondContact O-CG 3.45Å; C320-Q324 PolarHBondContact O-N 3.4Å; C320-Q324 PolarHBondContact SG-NE2 3.37Å
321	L	90.4	Very high	93.3	Very high	62 Å²	62	85.1 Å²	85.1	33%	0.325	48%	0.483	S	S	.	.	H	α-helix	trans	-59.7	-48.3	177.1	175.8	62.9	0	0	0	111.3	F317 E318 A323 Q324 C325 F436	F317-L321 PolarHBondContact O-N 3.32Å; E318-L321 PolarHBondContact O-N 2.97Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.41Å; L321-Q324 PolarHBondContact O-N 3.08Å; L321-C325 PolarHBondContact O-N 2.88Å; L321-F436 HydrophobicContact CD1-CE1 3.96Å; L321-F436 HydrophobicContact CD1-CZ 4.31Å; L321-F436 HydrophobicContact CD2-CE1 3.95Å; L321-F436 HydrophobicContact CD2-CZ 3.7Å
322	V	95.5	Very high	93.3	Very high	71 Å²	71	83.3 Å²	83.3	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-58.5	-47.6	178	171.4	0	0	0	0	110.6	E318 Q324 C325 D326	E318-V322 WeakPolarHBondContact O-CG2 3.45Å; E318-V322 PolarHBondContact O-N 3.42Å; V322-Q324 VanDerWaalsContact C-N 3.3Å; V322-Q324 PolarHBondContact O-N 3.41Å; V322-C325 PolarHBondContact O-N 3.4Å; V322-D326 WeakPolarHBondContact O-CB 3.48Å; V322-D326 PolarHBondContact O-N 3.21Å
323	A	93.6	Very high	93.5	Very high	59 Å²	59	82.2 Å²	82.2	49%	0.488	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-38.4	178.4	0	0	0	0	0	113	A319 C320 L321 A327	A319-A323 WeakPolarHBondContact O-CB 3.36Å; A319-A323 PolarHBondContact O-N 2.93Å; C320-A323 PolarHBondContact O-N 3.48Å; L321-A323 VanDerWaalsContact C-N 3.34Å; L321-A323 PolarHBondContact O-N 3.41Å; A323-A327 PolarHBondContact O-N 3.32Å; A323-A327 VanDerWaalsContact O-N 3.08Å
324	Q	92	Very high	93.8	Very high	121 Å²	121	86.3 Å²	86.3	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-66.3	-44.6	175.9	-72.5	-179.8	54.1	0	0	111.9	C320 L321 V322 A327 L328	C320-Q324 WeakPolarHBondContact O-CG 3.45Å; C320-Q324 PolarHBondContact O-N 3.4Å; C320-Q324 PolarHBondContact SG-NE2 3.37Å; L321-Q324 PolarHBondContact O-N 3.08Å; V322-Q324 VanDerWaalsContact C-N 3.3Å; V322-Q324 PolarHBondContact O-N 3.41Å; Q324-A327 PolarHBondContact O-N 3.02Å; Q324-L328 PolarHBondContact O-N 3.24Å
325	C	93.8	Very high	94.1	Very high	48 Å²	48	91 Å²	91	32%	0.324	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-43	175.9	-70.1	0	0	0	0	112.1	L321 V322 A327 L328 I329	L321-C325 PolarHBondContact O-N 2.88Å; V322-C325 PolarHBondContact O-N 3.4Å; C325-A327 VanDerWaalsContact C-N 3.31Å; C325-A327 PolarHBondContact O-N 3.21Å; C325-L328 WeakPolarHBondContact O-CB 3.49Å; C325-L328 PolarHBondContact O-N 3.46Å; C325-L328 VanDerWaalsContact O-N 3.14Å; C325-I329 WeakPolarHBondContact O-CG1 3.38Å; C325-I329 PolarHBondContact O-N 3.47Å
326	D	96.2	Very high	94.1	Very high	85 Å²	85	92.4 Å²	92.4	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-38.8	177.9	-75.4	-21.1	0	0	0	111.8	V322 L328 I329 D330	V322-D326 WeakPolarHBondContact O-CB 3.48Å; V322-D326 PolarHBondContact O-N 3.21Å; D326-L328 VanDerWaalsContact C-N 3.32Å; D326-L328 PolarHBondContact O-N 3.48Å; D326-I329 PolarHBondContact O-N 2.87Å; D326-D330 WeakPolarHBondContact O-CB 3.43Å; D326-D330 PolarHBondContact O-N 3.31Å
327	A	94.1	Very high	94.4	Very high	60 Å²	60	88.6 Å²	88.6	50%	0.496	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-38.9	174.8	0	0	0	0	0	112.6	A323 Q324 C325 D330 A331	A323-A327 PolarHBondContact O-N 3.32Å; A323-A327 VanDerWaalsContact O-N 3.08Å; Q324-A327 PolarHBondContact O-N 3.02Å; C325-A327 VanDerWaalsContact C-N 3.31Å; C325-A327 PolarHBondContact O-N 3.21Å; A327-D330 PolarHBondContact O-N 3Å; A327-A331 PolarHBondContact O-N 3.33Å
328	L	94.7	Very high	94.7	Very high	98 Å²	98	87.9 Å²	87.9	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-66.2	-43	174.6	-66.3	173.9	0	0	0	111.6	Q324 C325 D326 D330 A331 L332 L434	Q324-L328 PolarHBondContact O-N 3.24Å; C325-L328 WeakPolarHBondContact O-CB 3.49Å; C325-L328 PolarHBondContact O-N 3.46Å; C325-L328 VanDerWaalsContact O-N 3.14Å; D326-L328 VanDerWaalsContact C-N 3.32Å; D326-L328 PolarHBondContact O-N 3.48Å; L328-D330 VanDerWaalsContact C-N 3.32Å; L328-D330 PolarHBondContact O-N 3.28Å; L328-A331 PolarHBondContact O-N 3.46Å; L328-L332 PolarHBondContact O-N 2.95Å; L328-L434 HydrophobicContact CD1-CD2 4.01Å
329	I	95.8	Very high	94.9	Very high	88 Å²	88	84.3 Å²	84.3	45%	0.451	46%	0.463	S	S	.	.	H	α-helix	trans	-59.9	-44.5	175.9	-68.9	167.8	0	0	0	110.5	C325 D326 A331 L332 N333	C325-I329 WeakPolarHBondContact O-CG1 3.38Å; C325-I329 PolarHBondContact O-N 3.47Å; D326-I329 PolarHBondContact O-N 2.87Å; I329-A331 PolarHBondContact O-N 2.87Å; I329-L332 WeakPolarHBondContact O-CB 3.42Å; I329-L332 PolarHBondContact O-N 3.14Å; I329-N333 PolarHBondContact O-N 3.01Å; I329-N333 PolarHBondContact O-ND2 3.2Å
330	D	96.6	Very high	95.1	Very high	83 Å²	83	85.9 Å²	85.9	44%	0.444	46%	0.463	S	S	.	.	H	α-helix	trans	-62.2	-41.8	177.5	-93.6	-0.1	0	0	0	112.7	D326 A327 L328 L332 N333 R334	D326-D330 WeakPolarHBondContact O-CB 3.43Å; D326-D330 PolarHBondContact O-N 3.31Å; A327-D330 PolarHBondContact O-N 3Å; L328-D330 VanDerWaalsContact C-N 3.32Å; L328-D330 PolarHBondContact O-N 3.28Å; D330-L332 VanDerWaalsContact C-N 3.32Å; D330-N333 PolarHBondContact O-N 2.96Å; D330-R334 WeakPolarHBondContact O-CG 3.37Å; D330-R334 PolarHBondContact O-N 3.24Å; D330-R334 PolarHBondContact O-NE 3.21Å; D330-R334 IonicContact OD2-NH2 2.84Å
331	A	94.4	Very high	95.3	Very high	56 Å²	56	85.6 Å²	85.6	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-61.7	-42.6	174.6	0	0	0	0	0	111.2	A327 L328 I329 R334 R335	A327-A331 PolarHBondContact O-N 3.33Å; L328-A331 PolarHBondContact O-N 3.46Å; I329-A331 PolarHBondContact O-N 2.87Å; A331-R334 PolarHBondContact O-N 3.03Å; A331-R335 PolarHBondContact O-N 3.41Å
332	L	95.1	Very high	95.6	Very high	87 Å²	87	87.8 Å²	87.8	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-64.8	-41.8	177.5	-171.6	61.3	0	0	0	112	L328 I329 D330 R334 R335 K336 L427	L328-L332 PolarHBondContact O-N 2.95Å; I329-L332 WeakPolarHBondContact O-CB 3.42Å; I329-L332 PolarHBondContact O-N 3.14Å; D330-L332 VanDerWaalsContact C-N 3.32Å; L332-R334 PolarHBondContact O-N 2.9Å; L332-R335 PolarHBondContact O-N 3.22Å; L332-K336 PolarHBondContact O-N 3.5Å; L332-L427 HydrophobicContact CD1-CD2 3.79Å
333	N	96.8	Very high	95.6	Very high	82 Å²	82	87.1 Å²	87.1	44%	0.439	47%	0.47	S	S	.	.	H	α-helix	trans	-63.4	-40.6	176	-80.7	-39.1	0	0	0	112.3	I329 D330 R335 K336 A337	I329-N333 PolarHBondContact O-N 3.01Å; I329-N333 PolarHBondContact O-ND2 3.2Å; D330-N333 PolarHBondContact O-N 2.96Å; N333-R335 VanDerWaalsContact C-N 3.35Å; N333-K336 WeakPolarHBondContact O-CB 3.29Å; N333-K336 PolarHBondContact O-N 2.98Å; N333-A337 PolarHBondContact O-N 3.43Å
334	R	96.9	Very high	95.7	Very high	159 Å²	159	88.8 Å²	88.8	60%	0.6	47%	0.47	S	S	*	.	H	α-helix	trans	-61	-44	172.7	-73.6	178.3	-121.6	-112.5	0.2	111.4	D330 A331 L332 A337 Q338	D330-R334 WeakPolarHBondContact O-CG 3.37Å; D330-R334 PolarHBondContact O-N 3.24Å; D330-R334 PolarHBondContact O-NE 3.21Å; D330-R334 IonicContact OD2-NH2 2.84Å; A331-R334 PolarHBondContact O-N 3.03Å; L332-R334 PolarHBondContact O-N 2.9Å; R334-A337 PolarHBondContact O-N 3.35Å; R334-Q338 WeakPolarHBondContact O-CG 3.38Å; R334-Q338 PolarHBondContact O-N 3.05Å
335	R	96.3	Very high	95.9	Very high	135 Å²	135	90.4 Å²	90.4	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-42.6	177.8	-176.5	56.8	175.8	172	0.1	112	A331 L332 N333 A337 Q338 L339	A331-R335 PolarHBondContact O-N 3.41Å; L332-R335 PolarHBondContact O-N 3.22Å; N333-R335 VanDerWaalsContact C-N 3.35Å; R335-A337 VanDerWaalsContact C-N 3.32Å; R335-A337 PolarHBondContact O-N 3.02Å; R335-Q338 WeakPolarHBondContact O-CB 3.48Å; R335-Q338 PolarHBondContact O-N 3.18Å; R335-L339 HydrophobicContact CG-CD1 4.29Å; R335-L339 WeakPolarHBondContact O-CG 3.45Å; R335-L339 PolarHBondContact O-N 3.28Å
336	K	96	Very high	95.9	Very high	128 Å²	128	91.4 Å²	91.4	56%	0.557	48%	0.475	S	S	*	.	H	α-helix	trans	-55.7	-46	173.9	177.4	-176	175.5	-178.2	0	111.8	L332 N333 Q338 L339 L340	L332-K336 PolarHBondContact O-N 3.5Å; N333-K336 WeakPolarHBondContact O-CB 3.29Å; N333-K336 PolarHBondContact O-N 2.98Å; K336-Q338 VanDerWaalsContact C-N 3.33Å; K336-Q338 PolarHBondContact O-N 2.99Å; K336-L339 PolarHBondContact O-N 3.35Å; K336-L340 HydrophobicContact CG-CD1 4.22Å; K336-L340 WeakPolarHBondContact O-CG 3.3Å; K336-L340 PolarHBondContact O-N 3.07Å
337	A	97.6	Very high	95.9	Very high	59 Å²	59	91.4 Å²	91.4	49%	0.488	47%	0.473	S	S	.	.	H	α-helix	trans	-61.4	-40.3	178.7	0	0	0	0	0	112.5	N333 R334 R335 L340 A341	N333-A337 PolarHBondContact O-N 3.43Å; R334-A337 PolarHBondContact O-N 3.35Å; R335-A337 VanDerWaalsContact C-N 3.32Å; R335-A337 PolarHBondContact O-N 3.02Å; A337-L340 PolarHBondContact O-N 3.46Å; A337-A341 PolarHBondContact O-N 3.43Å
338	Q	96.8	Very high	96	Very high	114 Å²	114	94.9 Å²	94.9	53%	0.533	48%	0.479	S	S	.	.	H	α-helix	trans	-63.6	-43.7	175.7	-67.7	173.5	-7	0	0	112.5	R334 R335 K336 A341 Q342	R334-Q338 WeakPolarHBondContact O-CG 3.38Å; R334-Q338 PolarHBondContact O-N 3.05Å; R335-Q338 WeakPolarHBondContact O-CB 3.48Å; R335-Q338 PolarHBondContact O-N 3.18Å; K336-Q338 VanDerWaalsContact C-N 3.33Å; K336-Q338 PolarHBondContact O-N 2.99Å; Q338-A341 WeakPolarHBondContact O-CB 3.49Å; Q338-A341 PolarHBondContact O-N 3.29Å; Q338-Q342 PolarHBondContact O-N 3.38Å; Q338-Q342 VanDerWaalsContact O-N 3.11Å
339	L	96.4	Very high	96	Very high	50 Å²	50	94.7 Å²	94.7	26%	0.262	48%	0.475	S	S	.	.	H	α-helix	trans	-63.6	-42.6	178.3	-68.7	170.5	0	0	0	111.4	R335 K336 A341 Q342 V343 L422	R335-L339 HydrophobicContact CG-CD1 4.29Å; R335-L339 WeakPolarHBondContact O-CG 3.45Å; R335-L339 PolarHBondContact O-N 3.28Å; K336-L339 PolarHBondContact O-N 3.35Å; L339-A341 VanDerWaalsContact C-N 3.31Å; L339-A341 PolarHBondContact O-N 3.31Å; L339-Q342 WeakPolarHBondContact O-CB 3.46Å; L339-Q342 PolarHBondContact O-N 3Å; L339-V343 PolarHBondContact O-N 3.45Å; L339-V343 VanDerWaalsContact O-N 3.1Å; L339-L422 HydrophobicContact CD1-CD1 3.92Å
340	L	96.8	Very high	95.9	Very high	94 Å²	94	91.6 Å²	91.6	49%	0.492	46%	0.458	S	S	.	.	H	α-helix	trans	-62.2	-38.7	174.7	-72.2	172.6	0	0	0	112.2	K336 A337 Q342 V343 N344	K336-L340 HydrophobicContact CG-CD1 4.22Å; K336-L340 WeakPolarHBondContact O-CG 3.3Å; K336-L340 PolarHBondContact O-N 3.07Å; A337-L340 PolarHBondContact O-N 3.46Å; L340-Q342 VanDerWaalsContact C-N 3.29Å; L340-Q342 PolarHBondContact O-N 3.29Å; L340-V343 PolarHBondContact O-N 3.01Å; L340-N344 PolarHBondContact O-N 2.99Å
341	A	96.6	Very high	95.9	Very high	58 Å²	58	90.7 Å²	90.7	48%	0.479	45%	0.453	S	S	.	.	H	α-helix	trans	-62.5	-37.1	175.4	0	0	0	0	0	112.2	A337 Q338 L339 N344 K345	A337-A341 PolarHBondContact O-N 3.43Å; Q338-A341 WeakPolarHBondContact O-CB 3.49Å; Q338-A341 PolarHBondContact O-N 3.29Å; L339-A341 VanDerWaalsContact C-N 3.31Å; L339-A341 PolarHBondContact O-N 3.31Å; A341-N344 PolarHBondContact O-N 3.04Å; A341-K345 WeakPolarHBondContact O-CB 3.46Å; A341-K345 PolarHBondContact O-N 3.05Å
342	Q	94.9	Very high	95.9	Very high	108 Å²	108	94.1 Å²	94.1	51%	0.505	46%	0.457	S	S	.	.	H	α-helix	trans	-65.8	-43.4	175.4	-175.1	174.7	-13.9	0	0	112	Q338 L339 L340 K345 E346	Q338-Q342 PolarHBondContact O-N 3.38Å; Q338-Q342 VanDerWaalsContact O-N 3.11Å; L339-Q342 WeakPolarHBondContact O-CB 3.46Å; L339-Q342 PolarHBondContact O-N 3Å; L340-Q342 VanDerWaalsContact C-N 3.29Å; L340-Q342 PolarHBondContact O-N 3.29Å; Q342-K345 PolarHBondContact O-N 2.91Å; Q342-E346 PolarHBondContact O-N 2.89Å; Q342-E346 VanDerWaalsContact O-N 3.09Å
343	V	96.1	Very high	95.9	Very high	58 Å²	58	91.4 Å²	91.4	35%	0.352	44%	0.444	S	S	.	.	H	α-helix	trans	-60.9	-45.9	175	175	0	0	0	0	111	L339 L340 K345 E346 H347 F418 L420	L339-V343 PolarHBondContact O-N 3.45Å; L339-V343 VanDerWaalsContact O-N 3.1Å; L340-V343 PolarHBondContact O-N 3.01Å; V343-K345 VanDerWaalsContact C-N 3.33Å; V343-K345 PolarHBondContact O-N 2.69Å; V343-E346 PolarHBondContact O-N 3.44Å; V343-H347 WeakPolarHBondContact O-CB 3.31Å; V343-H347 PolarHBondContact O-N 3.32Å; V343-F418 HydrophobicContact CG1-CD1 4.48Å; V343-F418 HydrophobicContact CG1-CE1 4.21Å; V343-L420 HydrophobicContact CG2-CD1 4.01Å
344	N	96.1	Very high	95.8	Very high	93 Å²	93	90.3 Å²	90.3	50%	0.497	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-40.2	178.1	-78	-19.1	0	0	0	112.3	L340 A341 H347 E348	L340-N344 PolarHBondContact O-N 2.99Å; A341-N344 PolarHBondContact O-N 3.04Å; N344-H347 WeakPolarHBondContact O-CB 3.43Å; N344-H347 PolarHBondContact O-N 3.45Å; N344-E348 WeakPolarHBondContact O-CB 3.48Å; N344-E348 WeakPolarHBondContact O-CG 3.42Å; N344-E348 PolarHBondContact O-N 3.37Å
345	K	95.7	Very high	95.7	Very high	156 Å²	156	90.1 Å²	90.1	68%	0.678	44%	0.44	S	S	*	.	H	α-helix	trans	-62.8	-43.3	177	-173.5	180	179.1	-177.1	0	112	A341 Q342 V343 E348 H349	A341-K345 WeakPolarHBondContact O-CB 3.46Å; A341-K345 PolarHBondContact O-N 3.05Å; Q342-K345 PolarHBondContact O-N 2.91Å; V343-K345 VanDerWaalsContact C-N 3.33Å; V343-K345 PolarHBondContact O-N 2.69Å; K345-E348 PolarHBondContact O-N 3.04Å; K345-H349 WeakPolarHBondContact O-CB 3.49Å; K345-H349 PolarHBondContact O-N 3.41Å
346	E	94.1	Very high	95.6	Very high	68 Å²	68	88.2 Å²	88.2	32%	0.318	44%	0.44	S	S	.	.	H	α-helix	trans	-65	-43.1	176.4	-177	58.2	-157.6	0	0	111.4	Q342 V343 E348 H349 K350 F418 L420	Q342-E346 PolarHBondContact O-N 2.89Å; Q342-E346 VanDerWaalsContact O-N 3.09Å; V343-E346 PolarHBondContact O-N 3.44Å; E346-E348 PolarHBondContact O-N 3.02Å; E346-H349 PolarHBondContact O-N 3.26Å; E346-K350 HydrophobicContact CG-CD 4.26Å; E346-K350 WeakPolarHBondContact O-CG 3.4Å; E346-K350 PolarHBondContact O-N 3.43Å; E346-K350 WeakPolarHBondContact OE1-CE 3.4Å; E346-F418 HydrophobicContact CB-CD1 4.39Å; E346-F418 HydrophobicContact CB-CE1 4.17Å; E346-F418 HydrophobicContact CG-CD1 3.98Å; E346-F418 HydrophobicContact CG-CE1 4.04Å; E346-L420 HydrophobicContact CB-CD1 4.49Å
347	H	95.4	Very high	95.4	Very high	86 Å²	86	83.4 Å²	83.4	40%	0.398	42%	0.419	S	S	.	.	H	α-helix	trans	-57.9	-49.3	175.3	174.2	-109.1	0	0	0	112	V343 N344 H349 K350 L351 F418	V343-H347 WeakPolarHBondContact O-CB 3.31Å; V343-H347 PolarHBondContact O-N 3.32Å; N344-H347 WeakPolarHBondContact O-CB 3.43Å; N344-H347 PolarHBondContact O-N 3.45Å; H347-H349 VanDerWaalsContact C-N 3.34Å; H347-H349 PolarHBondContact O-N 3.35Å; H347-K350 PolarHBondContact O-N 3.3Å; H347-L351 WeakPolarHBondContact CE1-CD1 3.39Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.43Å; H347-L351 WeakPolarHBondContact O-CB 3.39Å; H347-L351 WeakPolarHBondContact O-CG 3.36Å; H347-L351 PolarHBondContact O-N 3.06Å; H347-F418 HydrophobicContact CB-CE1 3.97Å; H347-F418 HydrophobicContact CB-CZ 3.74Å
348	E	96.4	Very high	95.2	Very high	132 Å²	132	85.4 Å²	85.4	62%	0.617	42%	0.421	S	S	*	.	H	α-helix	trans	-62.5	-40.6	177.7	-75.4	179.3	-179.1	0	0	112.2	N344 K345 E346 K352	N344-E348 WeakPolarHBondContact O-CB 3.48Å; N344-E348 WeakPolarHBondContact O-CG 3.42Å; N344-E348 PolarHBondContact O-N 3.37Å; K345-E348 PolarHBondContact O-N 3.04Å; E346-E348 PolarHBondContact O-N 3.02Å; E348-K352 VanDerWaalsContact O-CB 3.31Å; E348-K352 WeakPolarHBondContact O-CB 3.39Å; E348-K352 PolarHBondContact O-N 3.5Å
349	H	94.8	Very high	95.1	Very high	95 Å²	95	83.4 Å²	83.4	44%	0.44	42%	0.42	S	S	.	.	H	α-helix	trans	-62.4	-51.7	177.6	-178.5	62.2	0	0	0	111.7	K345 E346 H347 L351 K352 V353	K345-H349 WeakPolarHBondContact O-CB 3.49Å; K345-H349 PolarHBondContact O-N 3.41Å; E346-H349 PolarHBondContact O-N 3.26Å; H347-H349 VanDerWaalsContact C-N 3.34Å; H347-H349 PolarHBondContact O-N 3.35Å; H349-L351 PolarHBondContact O-N 3.45Å; H349-K352 WeakPolarHBondContact O-CB 3.44Å; H349-K352 PolarHBondContact O-N 3.47Å; H349-V353 WeakPolarHBondContact O-CG2 3.43Å; H349-V353 PolarHBondContact O-N 3.02Å
350	K	94.7	Very high	94.9	Very high	23 Å²	23	85.8 Å²	85.8	10%	0.1	43%	0.429	C	S	.	.	H	α-helix	trans	-57.4	-47.9	177.4	-75.7	177	172.3	-113.8	0	111.7	E346 H347 K352 V353 V354 T415 D417	E346-K350 HydrophobicContact CG-CD 4.26Å; E346-K350 WeakPolarHBondContact O-CG 3.4Å; E346-K350 PolarHBondContact O-N 3.43Å; E346-K350 WeakPolarHBondContact OE1-CE 3.4Å; H347-K350 PolarHBondContact O-N 3.3Å; K350-K352 VanDerWaalsContact C-N 3.32Å; K350-K352 PolarHBondContact O-N 2.9Å; K350-V353 PolarHBondContact O-N 3.29Å; K350-V354 WeakPolarHBondContact O-CG2 3.47Å; K350-V354 PolarHBondContact O-N 3.41Å; K350-T415 PolarHBondContact NZ-O 3.07Å; K350-T415 PolarHBondContact NZ-OG1 2.87Å; K350-D417 PolarHBondContact NZ-O 3.13Å
351	L	95.5	Very high	94.6	Very high	63 Å²	63	82.9 Å²	82.9	33%	0.33	42%	0.416	S	S	.	.	H	α-helix	trans	-60.1	-41.7	177.2	-78.5	-179.2	0	0	0	112.3	H347 H349 V354 R355	H347-L351 WeakPolarHBondContact CE1-CD1 3.39Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.43Å; H347-L351 WeakPolarHBondContact O-CB 3.39Å; H347-L351 WeakPolarHBondContact O-CG 3.36Å; H347-L351 PolarHBondContact O-N 3.06Å; H349-L351 PolarHBondContact O-N 3.45Å; L351-V354 PolarHBondContact O-N 2.97Å; L351-R355 WeakPolarHBondContact O-CB 3.46Å; L351-R355 VanDerWaalsContact O-CG 3.3Å; L351-R355 WeakPolarHBondContact O-CG 3.31Å; L351-R355 PolarHBondContact O-N 3.4Å
352	K	96	Very high	94.5	Very high	128 Å²	128	82.8 Å²	82.8	56%	0.557	41%	0.41	S	S	*	.	H	α-helix	trans	-60.5	-49.4	177.7	-175.8	179	178.6	-178.4	0	111.2	E348 H349 K350 V354 R355 D356	E348-K352 VanDerWaalsContact O-CB 3.31Å; E348-K352 WeakPolarHBondContact O-CB 3.39Å; E348-K352 PolarHBondContact O-N 3.5Å; H349-K352 WeakPolarHBondContact O-CB 3.44Å; H349-K352 PolarHBondContact O-N 3.47Å; K350-K352 VanDerWaalsContact C-N 3.32Å; K350-K352 PolarHBondContact O-N 2.9Å; K352-V354 VanDerWaalsContact C-N 3.35Å; K352-V354 PolarHBondContact O-N 3.46Å; K352-R355 PolarHBondContact O-N 3.47Å; K352-D356 WeakPolarHBondContact O-CB 3.43Å; K352-D356 VanDerWaalsContact O-CG 3.23Å; K352-D356 PolarHBondContact O-N 3.49Å
353	V	94.5	Very high	94.4	Very high	30 Å²	30	80.9 Å²	80.9	18%	0.182	41%	0.406	C	S	.	.	H	α-helix	trans	-62	-42.8	-179	176.7	0	0	0	0	111.7	H349 K350 D356 Q357 R413 M414	H349-V353 WeakPolarHBondContact O-CG2 3.43Å; H349-V353 PolarHBondContact O-N 3.02Å; K350-V353 PolarHBondContact O-N 3.29Å; V353-D356 PolarHBondContact O-N 3.41Å; V353-Q357 PolarHBondContact O-N 3.29Å; V353-R413 HydrophobicContact CG1-CB 4.35Å; V353-M414 HydrophobicContact CB-CE 4.41Å; V353-M414 HydrophobicContact CB-CG 3.72Å; V353-M414 HydrophobicContact CG1-CE 3.85Å; V353-M414 HydrophobicContact CG1-CG 3.36Å; V353-M414 HydrophobicContact CG1-SD 4.4Å; V353-M414 HydrophobicContact CG2-CE 4.17Å; V353-M414 HydrophobicContact CG2-CG 4.37Å
354	V	94.1	Very high	94.1	Very high	60 Å²	60	79.1 Å²	79.1	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-66.7	-43.5	178	175.4	0	0	0	0	111.3	K350 L351 K352 D356 Q357 I358 M414	K350-V354 WeakPolarHBondContact O-CG2 3.47Å; K350-V354 PolarHBondContact O-N 3.41Å; L351-V354 PolarHBondContact O-N 2.97Å; K352-V354 VanDerWaalsContact C-N 3.35Å; K352-V354 PolarHBondContact O-N 3.46Å; V354-D356 PolarHBondContact O-N 2.93Å; V354-Q357 PolarHBondContact O-N 2.93Å; V354-I358 HydrophobicContact CG1-CD1 4.03Å; V354-I358 WeakPolarHBondContact O-CG1 3.24Å; V354-I358 PolarHBondContact O-N 2.92Å; V354-M414 HydrophobicContact CG2-CB 4.22Å
355	R	95.6	Very high	94	Very high	155 Å²	155	79.5 Å²	79.5	59%	0.585	39%	0.394	S	S	*	.	H	α-helix	trans	-61.5	-42.2	175.8	-75.8	-176	-151.1	134.3	0.3	112.2	L351 K352 Q357 I358 S359	L351-R355 WeakPolarHBondContact O-CB 3.46Å; L351-R355 VanDerWaalsContact O-CG 3.3Å; L351-R355 WeakPolarHBondContact O-CG 3.31Å; L351-R355 PolarHBondContact O-N 3.4Å; K352-R355 PolarHBondContact O-N 3.47Å; R355-Q357 VanDerWaalsContact C-N 3.32Å; R355-Q357 PolarHBondContact O-N 3.48Å; R355-I358 PolarHBondContact O-N 3.45Å; R355-S359 PolarHBondContact O-N 3.28Å
356	D	94.4	Very high	93.9	Very high	95 Å²	95	80.8 Å²	80.8	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-63.7	-39.7	177.9	-70.7	-14.9	0	0	0	110.9	K352 V353 V354 S359 H360	K352-D356 WeakPolarHBondContact O-CB 3.43Å; K352-D356 VanDerWaalsContact O-CG 3.23Å; K352-D356 PolarHBondContact O-N 3.49Å; V353-D356 PolarHBondContact O-N 3.41Å; V354-D356 PolarHBondContact O-N 2.93Å; D356-S359 PolarHBondContact O-N 3.47Å; D356-H360 WeakPolarHBondContact O-CB 3.43Å; D356-H360 PolarHBondContact O-N 3.17Å
357	Q	92.1	Very high	93.8	Very high	26 Å²	26	83.7 Å²	83.7	12%	0.121	41%	0.409	C	S	.	.	H	α-helix	trans	-65.4	-42.3	174.5	-170.5	170.3	12.6	0	0	112.2	V353 V354 R355 H360 C361 T411 R413	V353-Q357 PolarHBondContact O-N 3.29Å; V354-Q357 PolarHBondContact O-N 2.93Å; R355-Q357 VanDerWaalsContact C-N 3.32Å; R355-Q357 PolarHBondContact O-N 3.48Å; Q357-H360 PolarHBondContact O-N 2.93Å; Q357-C361 WeakPolarHBondContact O-CB 3.33Å; Q357-C361 PolarHBondContact O-N 3.27Å; Q357-C361 PolarHBondContact O-SG 3.02Å; Q357-T411 PolarHBondContact NE2-O 2.71Å; Q357-R413 VanDerWaalsContact OE1-N 3.08Å
358	I	93.1	Very high	93.7	Very high	102 Å²	102	81.2 Å²	81.2	52%	0.523	40%	0.4	S	S	.	.	H	α-helix	trans	-59	-47.8	174.4	-70.3	167.1	0	0	0	110.5	V354 R355 H360 C361 T362	V354-I358 HydrophobicContact CG1-CD1 4.03Å; V354-I358 WeakPolarHBondContact O-CG1 3.24Å; V354-I358 PolarHBondContact O-N 2.92Å; R355-I358 PolarHBondContact O-N 3.45Å; I358-H360 PolarHBondContact O-N 3.4Å; I358-C361 PolarHBondContact O-N 2.99Å; I358-T362 WeakPolarHBondContact O-CB 3.39Å; I358-T362 PolarHBondContact O-N 3Å; I358-T362 PolarHBondContact O-OG1 2.93Å
359	S	94.9	Very high	93.6	Very high	72 Å²	72	77.4 Å²	77.4	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-48	179.1	-176.3	0	0	0	0	111.5	R355 D356 T362 V363	R355-S359 PolarHBondContact O-N 3.28Å; D356-S359 PolarHBondContact O-N 3.47Å; S359-T362 PolarHBondContact O-N 3.48Å; S359-V363 WeakPolarHBondContact O-CG2 3.44Å; S359-V363 PolarHBondContact O-N 3.03Å
360	H	91.2	Very high	93.7	Very high	99 Å²	99	74.6 Å²	74.6	46%	0.458	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-48.9	178.7	-174.8	72.6	0	0	0	112.5	D356 Q357 I358 T362 V363 K364	D356-H360 WeakPolarHBondContact O-CB 3.43Å; D356-H360 PolarHBondContact O-N 3.17Å; Q357-H360 PolarHBondContact O-N 2.93Å; I358-H360 PolarHBondContact O-N 3.4Å; H360-T362 VanDerWaalsContact C-N 3.32Å; H360-T362 PolarHBondContact O-N 3.44Å; H360-V363 PolarHBondContact O-N 2.92Å; H360-K364 WeakPolarHBondContact O-CB 3.41Å; H360-K364 PolarHBondContact O-N 3.06Å; H360-K364 VanDerWaalsContact O-N 3.08Å
361	C	91.3	Very high	93.7	Very high	33 Å²	33	74.3 Å²	74.3	22%	0.223	38%	0.381	C	S	.	.	H	α-helix	trans	-62.1	-39.2	177.2	-72.9	0	0	0	0	112	Q357 I358 K364 L365	Q357-C361 WeakPolarHBondContact O-CB 3.33Å; Q357-C361 PolarHBondContact O-N 3.27Å; Q357-C361 PolarHBondContact O-SG 3.02Å; I358-C361 PolarHBondContact O-N 2.99Å; C361-K364 PolarHBondContact O-N 3.32Å; C361-L365 VanDerWaalsContact O-CB 3.24Å; C361-L365 WeakPolarHBondContact O-CB 3.45Å; C361-L365 PolarHBondContact O-N 3.33Å
362	T	93.3	Very high	93.7	Very high	56 Å²	56	76.7 Å²	76.7	34%	0.344	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-45.8	179	-58.5	0	0	0	0	111.7	I358 S359 H360 L365 R366	I358-T362 WeakPolarHBondContact O-CB 3.39Å; I358-T362 PolarHBondContact O-N 3Å; I358-T362 PolarHBondContact O-OG1 2.93Å; S359-T362 PolarHBondContact O-N 3.48Å; H360-T362 VanDerWaalsContact C-N 3.32Å; H360-T362 PolarHBondContact O-N 3.44Å; T362-L365 PolarHBondContact O-N 3.47Å; T362-R366 WeakPolarHBondContact O-CG 3.46Å; T362-R366 PolarHBondContact O-N 3.43Å; T362-R366 VanDerWaalsContact O-N 3.07Å
363	V	93.2	Very high	93.7	Very high	69 Å²	69	76.5 Å²	76.5	42%	0.418	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-47.5	177.7	172.6	0	0	0	0	110.7	S359 H360 L365 R366 Q367	S359-V363 WeakPolarHBondContact O-CG2 3.44Å; S359-V363 PolarHBondContact O-N 3.03Å; H360-V363 PolarHBondContact O-N 2.92Å; V363-L365 VanDerWaalsContact C-N 3.35Å; V363-L365 PolarHBondContact O-N 3.49Å; V363-R366 PolarHBondContact O-N 3.49Å; V363-Q367 WeakPolarHBondContact O-CG 3.4Å; V363-Q367 PolarHBondContact O-N 3.29Å
364	K	90.8	Very high	93.8	Very high	21 Å²	21	80.4 Å²	80.4	9%	0.091	41%	0.406	C	S	.	.	H	α-helix	trans	-64.3	-38.7	-179.5	-166.4	176.7	-175.5	169.6	0	112.6	H360 C361 Q367 T368 Q404 W405 T409	H360-K364 WeakPolarHBondContact O-CB 3.41Å; H360-K364 PolarHBondContact O-N 3.06Å; H360-K364 VanDerWaalsContact O-N 3.08Å; C361-K364 PolarHBondContact O-N 3.32Å; K364-Q367 PolarHBondContact O-N 3.1Å; K364-T368 WeakPolarHBondContact O-CB 3.35Å; K364-T368 PolarHBondContact O-N 3.11Å; K364-T368 PolarHBondContact O-OG1 3.17Å; K364-Q404 VanDerWaalsContact NZ-C 3.29Å; K364-Q404 PolarHBondContact NZ-O 3.14Å; K364-W405 HydrophobicContact CB-CH2 4.33Å; K364-W405 HydrophobicContact CB-CZ2 4.16Å; K364-W405 HydrophobicContact CD-CD2 4.33Å; K364-W405 HydrophobicContact CD-CH2 4.34Å; K364-W405 HydrophobicContact CD-CZ2 4.13Å; K364-W405 HydrophobicContact CG-CH2 4.24Å; K364-W405 HydrophobicContact CG-CZ2 3.73Å; K364-T409 HydrophobicContact CD-CG2 4.42Å
365	L	92	Very high	93.9	Very high	100 Å²	100	78.6 Å²	78.6	52%	0.524	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-50.4	174.4	-173.5	64.1	0	0	0	110.8	C361 T362 V363 Q367 T368 T369 W405	C361-L365 VanDerWaalsContact O-CB 3.24Å; C361-L365 WeakPolarHBondContact O-CB 3.45Å; C361-L365 PolarHBondContact O-N 3.33Å; T362-L365 PolarHBondContact O-N 3.47Å; V363-L365 VanDerWaalsContact C-N 3.35Å; V363-L365 PolarHBondContact O-N 3.49Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.27Å; L365-T368 PolarHBondContact O-N 3.42Å; L365-T368 VanDerWaalsContact O-N 3.13Å; L365-T369 PolarHBondContact O-N 3.09Å; L365-T369 PolarHBondContact O-OG1 3.18Å; L365-T369 VanDerWaalsContact O-OG1 3.06Å; L365-W405 HydrophobicContact CB-CH2 4.26Å; L365-W405 HydrophobicContact CB-CZ2 4.47Å; L365-W405 HydrophobicContact CD1-CH2 4.36Å; L365-W405 HydrophobicContact CD1-CZ2 4.43Å
366	R	94.4	Very high	93.9	Very high	183 Å²	183	76.1 Å²	76.1	69%	0.691	39%	0.393	S	S	*	.	H	α-helix	trans	-56.9	-44	176.8	-73.1	176.5	-178.5	170.6	1.2	112.4	T362 V363 T369 G370	T362-R366 WeakPolarHBondContact O-CG 3.46Å; T362-R366 PolarHBondContact O-N 3.43Å; T362-R366 VanDerWaalsContact O-N 3.07Å; V363-R366 PolarHBondContact O-N 3.49Å; R366-T369 PolarHBondContact O-N 2.93Å; R366-G370 PolarHBondContact O-N 3.32Å
367	Q	92.6	Very high	93.9	Very high	129 Å²	129	77 Å²	77	60%	0.603	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-41.1	177.1	-72.2	173.4	-13.5	0	0	112.3	V363 K364 L365 L371	V363-Q367 WeakPolarHBondContact O-CG 3.4Å; V363-Q367 PolarHBondContact O-N 3.29Å; K364-Q367 PolarHBondContact O-N 3.1Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.27Å; Q367-L371 PolarHBondContact O-N 3.31Å
368	T	92.9	Very high	94	Very high	35 Å²	35	76.6 Å²	76.6	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-67.6	-43.8	178.7	-54.7	0	0	0	0	111	K364 L365 L371 M372 T401 W405	K364-T368 WeakPolarHBondContact O-CB 3.35Å; K364-T368 PolarHBondContact O-N 3.11Å; K364-T368 PolarHBondContact O-OG1 3.17Å; L365-T368 PolarHBondContact O-N 3.42Å; L365-T368 VanDerWaalsContact O-N 3.13Å; T368-L371 PolarHBondContact O-N 2.96Å; T368-M372 WeakPolarHBondContact O-CB 3.28Å; T368-M372 PolarHBondContact O-N 3.45Å; T368-T401 HydrophobicContact CG2-CG2 4.18Å; T368-W405 PolarHBondContact OG1-NE1 3.15Å
369	T	94.9	Very high	94.1	Very high	52 Å²	52	77.3 Å²	77.3	32%	0.319	40%	0.397	S	S	.	.	H	α-helix	trans	-59.8	-47.7	175.2	-56.7	0	0	0	0	111.3	L365 R366 L371 M372 E373	L365-T369 PolarHBondContact O-N 3.09Å; L365-T369 PolarHBondContact O-OG1 3.18Å; L365-T369 VanDerWaalsContact O-OG1 3.06Å; R366-T369 PolarHBondContact O-N 2.93Å; T369-L371 PolarHBondContact O-N 2.97Å; T369-M372 WeakPolarHBondContact O-CB 3.23Å; T369-M372 PolarHBondContact O-N 2.67Å; T369-M372 VanDerWaalsContact O-N 3.17Å; T369-E373 WeakPolarHBondContact O-CG 3.36Å; T369-E373 PolarHBondContact O-N 3.18Å
370	G	96.1	Very high	94.1	Very high	35 Å²	35	79.9 Å²	79.9	36%	0.361	40%	0.399	S	S	.	.	H	α-helix	trans	-64	-37.4	178.5	0	0	0	0	0	113.5	R366 Y374	R366-G370 PolarHBondContact O-N 3.32Å; G370-Y374 WeakPolarHBondContact O-CB 3.41Å; G370-Y374 PolarHBondContact O-N 3.18Å
371	L	95.6	Very high	94.3	Very high	17 Å²	17	80.2 Å²	80.2	9%	0.089	40%	0.401	C	S	.	.	H	α-helix	trans	-64.3	-42.6	173	178.1	60.7	0	0	0	111.2	Q367 T368 T369 Y374 C375 L394 V398 T401	Q367-L371 PolarHBondContact O-N 3.31Å; T368-L371 PolarHBondContact O-N 2.96Å; T369-L371 PolarHBondContact O-N 2.97Å; L371-Y374 PolarHBondContact O-N 2.84Å; L371-C375 WeakPolarHBondContact O-CB 3.49Å; L371-C375 PolarHBondContact O-N 2.99Å; L371-C375 PolarHBondContact O-SG 3.27Å; L371-L394 HydrophobicContact CD1-CD2 4.36Å; L371-V398 HydrophobicContact CD2-CG2 4.21Å; L371-V398 HydrophobicContact CG-CG2 4.39Å; L371-T401 HydrophobicContact CD2-CG2 4.47Å
372	M	95.1	Very high	94.3	Very high	114 Å²	114	86 Å²	86	56%	0.562	43%	0.43	S	S	*	.	H	α-helix	trans	-63.3	-47.2	179.1	-171.6	167.1	66.1	0	0	111.6	T368 T369 Y374 C375 L376	T368-M372 WeakPolarHBondContact O-CB 3.28Å; T368-M372 PolarHBondContact O-N 3.45Å; T369-M372 WeakPolarHBondContact O-CB 3.23Å; T369-M372 PolarHBondContact O-N 2.67Å; T369-M372 VanDerWaalsContact O-N 3.17Å; M372-Y374 VanDerWaalsContact C-N 3.34Å; M372-Y374 PolarHBondContact O-N 2.87Å; M372-C375 PolarHBondContact O-N 3.35Å; M372-L376 HydrophobicContact CG-CD1 4.41Å; M372-L376 VanDerWaalsContact O-CG 3.3Å; M372-L376 WeakPolarHBondContact O-CG 3.28Å; M372-L376 PolarHBondContact O-N 3.04Å
373	E	95.9	Very high	94.4	Very high	124 Å²	124	86.7 Å²	86.7	58%	0.579	43%	0.432	S	S	*	.	H	α-helix	trans	-58.9	-43.5	175	-72.3	173.1	177	0	0	111.8	T369 L376 E377	T369-E373 WeakPolarHBondContact O-CG 3.36Å; T369-E373 PolarHBondContact O-N 3.18Å; E373-L376 PolarHBondContact O-N 3.06Å; E373-E377 PolarHBondContact O-N 3.45Å
374	Y	96.6	Very high	94.4	Very high	112 Å²	112	87.9 Å²	87.9	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-62.9	-45.4	176.2	177.8	-120.1	0	0	0	112.5	G370 L371 M372 L376 E377 V378 L394	G370-Y374 WeakPolarHBondContact O-CB 3.41Å; G370-Y374 PolarHBondContact O-N 3.18Å; L371-Y374 PolarHBondContact O-N 2.84Å; M372-Y374 VanDerWaalsContact C-N 3.34Å; M372-Y374 PolarHBondContact O-N 2.87Å; Y374-L376 VanDerWaalsContact C-N 3.32Å; Y374-L376 PolarHBondContact O-N 3.22Å; Y374-E377 PolarHBondContact O-N 3.48Å; Y374-V378 HydrophobicContact CD2-CG2 4.19Å; Y374-V378 HydrophobicContact CE1-CG2 4.18Å; Y374-V378 HydrophobicContact CE2-CG2 3.74Å; Y374-V378 WeakPolarHBondContact O-CG2 3.36Å; Y374-V378 PolarHBondContact O-N 3.19Å; Y374-L394 HydrophobicContact CD1-CD2 3.79Å; Y374-L394 HydrophobicContact CE1-CD1 4.03Å; Y374-L394 HydrophobicContact CE1-CD2 3.51Å; Y374-L394 HydrophobicContact CE1-CG 4.35Å
375	C	95.9	Very high	94.5	Very high	22 Å²	22	90.2 Å²	90.2	15%	0.149	46%	0.459	C	S	.	.	H	α-helix	trans	-61.2	-40.8	176	-72.6	0	0	0	0	111.8	L371 M372 E377 V378 I379	L371-C375 WeakPolarHBondContact O-CB 3.49Å; L371-C375 PolarHBondContact O-N 2.99Å; L371-C375 PolarHBondContact O-SG 3.27Å; M372-C375 PolarHBondContact O-N 3.35Å; C375-E377 VanDerWaalsContact C-N 3.3Å; C375-E377 PolarHBondContact O-N 3.22Å; C375-V378 PolarHBondContact O-N 3.06Å; C375-I379 WeakPolarHBondContact O-CD1 3.37Å; C375-I379 VanDerWaalsContact O-CG1 3.24Å; C375-I379 WeakPolarHBondContact O-CG1 3.25Å; C375-I379 PolarHBondContact O-N 3.31Å; C375-I379 VanDerWaalsContact O-N 3.07Å
376	L	94.7	Very high	94.5	Very high	102 Å²	102	86.4 Å²	86.4	53%	0.534	44%	0.444	S	S	.	.	H	α-helix	trans	-63	-35.8	176.3	-72.9	172.1	0	0	0	112.5	M372 E373 Y374	M372-L376 HydrophobicContact CG-CD1 4.41Å; M372-L376 VanDerWaalsContact O-CG 3.3Å; M372-L376 WeakPolarHBondContact O-CG 3.28Å; M372-L376 PolarHBondContact O-N 3.04Å; E373-L376 PolarHBondContact O-N 3.06Å; Y374-L376 VanDerWaalsContact C-N 3.32Å; Y374-L376 PolarHBondContact O-N 3.22Å
377	E	95.3	Very high	94.6	Very high	113 Å²	113	81 Å²	81	53%	0.528	43%	0.426	S	S	.	.	H	α-helix	trans	-71.1	-43.6	175.8	-160.2	60.3	-147.1	0	0	111.6	E373 Y374 C375 I379 K380	E373-E377 PolarHBondContact O-N 3.45Å; Y374-E377 PolarHBondContact O-N 3.48Å; C375-E377 VanDerWaalsContact C-N 3.3Å; C375-E377 PolarHBondContact O-N 3.22Å; E377-I379 VanDerWaalsContact C-N 3.27Å; E377-I379 PolarHBondContact O-N 3.07Å; E377-K380 WeakPolarHBondContact O-CB 3.47Å; E377-K380 PolarHBondContact O-N 3.03Å; E377-K380 IonicContact OE1-NZ 3.74Å; E377-K380 PolarHBondContact OE1-NZ 3.48Å; E377-K380 IonicContact OE2-NZ 3.32Å; E377-K380 PolarHBondContact OE2-NZ 3.12Å
378	V	95.1	Very high	94.7	Very high	19 Å²	19	80.6 Å²	80.6	12%	0.115	43%	0.427	C	S	.	.	H	α-helix	trans	-60.9	-33.8	177.6	168.8	0	0	0	0	112.4	Y374 C375 K380 E381 F387 I390 L394	Y374-V378 HydrophobicContact CD2-CG2 4.19Å; Y374-V378 HydrophobicContact CE1-CG2 4.18Å; Y374-V378 HydrophobicContact CE2-CG2 3.74Å; Y374-V378 WeakPolarHBondContact O-CG2 3.36Å; Y374-V378 PolarHBondContact O-N 3.19Å; C375-V378 PolarHBondContact O-N 3.06Å; V378-K380 PolarHBondContact O-N 3.36Å; V378-E381 VanDerWaalsContact O-CB 3.25Å; V378-E381 WeakPolarHBondContact O-CB 3.3Å; V378-E381 PolarHBondContact O-N 3.43Å; V378-E381 VanDerWaalsContact O-N 3.12Å; V378-F387 HydrophobicContact CG1-CD2 4.17Å; V378-F387 HydrophobicContact CG1-CE2 4.22Å; V378-I390 HydrophobicContact CB-CD1 4.46Å; V378-I390 HydrophobicContact CG1-CD1 3.56Å; V378-I390 HydrophobicContact CG1-CG1 4.16Å; V378-I390 HydrophobicContact CG2-CD1 3.99Å; V378-L394 HydrophobicContact CB-CD1 4.25Å; V378-L394 HydrophobicContact CG1-CD1 3.88Å; V378-L394 HydrophobicContact CG2-CD1 4.05Å
379	I	95.1	Very high	94.7	Very high	116 Å²	116	86.6 Å²	86.6	60%	0.595	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.2	177.3	-71.8	163.4	0	0	0	112.5	C375 E377 E381	C375-I379 WeakPolarHBondContact O-CD1 3.37Å; C375-I379 VanDerWaalsContact O-CG1 3.24Å; C375-I379 WeakPolarHBondContact O-CG1 3.25Å; C375-I379 PolarHBondContact O-N 3.31Å; C375-I379 VanDerWaalsContact O-N 3.07Å; E377-I379 VanDerWaalsContact C-N 3.27Å; E377-I379 PolarHBondContact O-N 3.07Å; I379-E381 VanDerWaalsContact C-N 3.27Å; I379-E381 PolarHBondContact O-N 3.3Å
380	K	94.5	Very high	94.7	Very high	126 Å²	126	87.2 Å²	87.2	55%	0.548	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.6	177.1	-57.1	172.2	-173	166.9	0	113.6	E377 V378 N382	E377-K380 WeakPolarHBondContact O-CB 3.47Å; E377-K380 PolarHBondContact O-N 3.03Å; E377-K380 IonicContact OE1-NZ 3.74Å; E377-K380 PolarHBondContact OE1-NZ 3.48Å; E377-K380 IonicContact OE2-NZ 3.32Å; E377-K380 PolarHBondContact OE2-NZ 3.12Å; V378-K380 PolarHBondContact O-N 3.36Å; K380-N382 PolarHBondContact O-N 2.93Å
381	E	94.8	Very high	94.5	Very high	107 Å²	107	86 Å²	86	50%	0.5	44%	0.44	S	S	.	.			trans	-61	132.6	179.6	-175.3	53.1	-105.6	0	0	111.1	V378 I379 D383 F387	V378-E381 VanDerWaalsContact O-CB 3.25Å; V378-E381 WeakPolarHBondContact O-CB 3.3Å; V378-E381 PolarHBondContact O-N 3.43Å; V378-E381 VanDerWaalsContact O-N 3.12Å; I379-E381 VanDerWaalsContact C-N 3.27Å; I379-E381 PolarHBondContact O-N 3.3Å; E381-D383 PolarHBondContact OE1-N 2.91Å; E381-F387 HydrophobicContact CB-CB 4.42Å; E381-F387 HydrophobicContact CB-CD2 4.48Å; E381-F387 HydrophobicContact CG-CB 4.27Å
382	N	92.4	Very high	94.5	Very high	154 Å²	154	90.1 Å²	90.1	82%	0.824	46%	0.462	S	S	*	.			trans	-98.7	-15.6	-174.8	-71.8	-45.2	0	0	0	112.7	K380 P384	K380-N382 PolarHBondContact O-N 2.93Å; N382-P384 WeakPolarHBondContact O-CD 3.44Å
383	D	95	Very high	94.4	Very high	71 Å²	71	86.8 Å²	86.8	38%	0.38	45%	0.453	S	S	.	.			trans	-86	113.9	172.8	173.7	29.4	0	0	0	111.6	E381 S385 G386 F387	E381-D383 PolarHBondContact OE1-N 2.91Å; D383-S385 PolarHBondContact O-N 3.3Å; D383-S385 PolarHBondContact OD1-N 3.08Å; D383-S385 VanDerWaalsContact OD1-N 3.07Å; D383-S385 PolarHBondContact OD1-OG 3.43Å; D383-S385 PolarHBondContact OD2-OG 3.17Å; D383-G386 PolarHBondContact O-N 2.78Å; D383-G386 WeakPolarHBondContact OD2-CA 3.24Å; D383-G386 PolarHBondContact OD2-N 2.94Å; D383-F387 PolarHBondContact O-N 2.91Å
384	P	92.8	Very high	94.4	Very high	93 Å²	93	81.5 Å²	81.5	60%	0.604	43%	0.428	S	S	*	.	H	α-helix	trans	-59.7	-31.8	178.6	-23.4	34.4	0	0	0	113.5	N382 L388	N382-P384 WeakPolarHBondContact O-CD 3.44Å; P384-L388 VanDerWaalsContact O-CG 3.3Å; P384-L388 WeakPolarHBondContact O-CG 3.44Å; P384-L388 PolarHBondContact O-N 2.87Å
385	S	92.8	Very high	94.3	Very high	70 Å²	70	80.4 Å²	80.4	49%	0.49	43%	0.429	S	S	.	.	H	α-helix	trans	-76.1	-45.1	-176.5	75.3	0	0	0	0	112	D383 L388 Q389	D383-S385 PolarHBondContact O-N 3.3Å; D383-S385 PolarHBondContact OD1-N 3.08Å; D383-S385 VanDerWaalsContact OD1-N 3.07Å; D383-S385 PolarHBondContact OD1-OG 3.43Å; D383-S385 PolarHBondContact OD2-OG 3.17Å; S385-L388 PolarHBondContact O-N 3.44Å; S385-Q389 WeakPolarHBondContact O-CG 3.44Å; S385-Q389 PolarHBondContact O-N 2.96Å
386	G	92.7	Very high	94.3	Very high	20 Å²	20	86.6 Å²	86.6	21%	0.206	45%	0.449	C	S	.	.	H	α-helix	trans	-62.6	-39.6	173	0	0	0	0	0	113.4	D383 Q389	D383-G386 PolarHBondContact O-N 2.78Å; D383-G386 WeakPolarHBondContact OD2-CA 3.24Å; D383-G386 PolarHBondContact OD2-N 2.94Å; G386-Q389 PolarHBondContact O-N 3.45Å
387	F	95.3	Very high	94.3	Very high	71 Å²	71	87.8 Å²	87.8	31%	0.311	45%	0.446	S	S	.	.	H	α-helix	trans	-61.5	-49.6	175.6	176.3	-99.5	0	0	0	112.3	V378 E381 D383 Q389 I390 S391	V378-F387 HydrophobicContact CG1-CD2 4.17Å; V378-F387 HydrophobicContact CG1-CE2 4.22Å; E381-F387 HydrophobicContact CB-CB 4.42Å; E381-F387 HydrophobicContact CB-CD2 4.48Å; E381-F387 HydrophobicContact CG-CB 4.27Å; D383-F387 PolarHBondContact O-N 2.91Å; F387-Q389 PolarHBondContact O-N 2.98Å; F387-I390 WeakPolarHBondContact O-CG1 3.4Å; F387-I390 PolarHBondContact O-N 2.85Å; F387-S391 WeakPolarHBondContact O-CB 3.46Å; F387-S391 PolarHBondContact O-N 3.02Å
388	L	94.6	Very high	94.3	Very high	119 Å²	119	85.2 Å²	85.2	62%	0.623	44%	0.438	S	S	*	.	H	α-helix	trans	-66	-23.5	-178.8	-72	173.8	0	0	0	113.3	P384 S385 I390	P384-L388 VanDerWaalsContact O-CG 3.3Å; P384-L388 WeakPolarHBondContact O-CG 3.44Å; P384-L388 PolarHBondContact O-N 2.87Å; S385-L388 PolarHBondContact O-N 3.44Å; L388-I390 PolarHBondContact O-N 3.27Å
389	Q	94.2	Very high	94.2	Very high	161 Å²	161	89.3 Å²	89.3	75%	0.752	46%	0.456	S	S	*	.	H	α-helix	trans	-63.9	-27.1	175.4	-77	175.8	19.8	0	0	113.2	S385 G386 F387	S385-Q389 WeakPolarHBondContact O-CG 3.44Å; S385-Q389 PolarHBondContact O-N 2.96Å; G386-Q389 PolarHBondContact O-N 3.45Å; F387-Q389 PolarHBondContact O-N 2.98Å
390	I	93.8	Very high	93.9	Very high	66 Å²	66	89.4 Å²	89.4	34%	0.338	46%	0.455	S	S	.	.	H	α-helix	trans	-118.9	-18.3	-173.6	62.7	170.1	0	0	0	114.4	V378 F387 L388 D392 A393 L394	V378-I390 HydrophobicContact CB-CD1 4.46Å; V378-I390 HydrophobicContact CG1-CD1 3.56Å; V378-I390 HydrophobicContact CG1-CG1 4.16Å; V378-I390 HydrophobicContact CG2-CD1 3.99Å; F387-I390 WeakPolarHBondContact O-CG1 3.4Å; F387-I390 PolarHBondContact O-N 2.85Å; L388-I390 PolarHBondContact O-N 3.27Å; I390-D392 PolarHBondContact O-N 2.64Å; I390-A393 PolarHBondContact O-N 2.9Å; I390-L394 HydrophobicContact CD1-CD1 4.24Å; I390-L394 HydrophobicContact CG1-CD1 4.38Å; I390-L394 PolarHBondContact O-N 3.11Å; I390-L394 VanDerWaalsContact O-N 3.14Å
391	S	92.9	Very high	93.7	Very high	10 Å²	10	84.8 Å²	84.8	7%	0.07	44%	0.438	C	S	.	.	H	α-helix	trans	-60.2	-46.9	-172.3	61.8	0	0	0	0	113.6	F387 A393 L394 I395	F387-S391 WeakPolarHBondContact O-CB 3.46Å; F387-S391 PolarHBondContact O-N 3.02Å; S391-A393 VanDerWaalsContact C-N 3.3Å; S391-A393 PolarHBondContact O-N 3.4Å; S391-L394 PolarHBondContact O-N 3.07Å; S391-L394 VanDerWaalsContact O-N 3.11Å; S391-I395 VanDerWaalsContact O-CG1 3.31Å; S391-I395 WeakPolarHBondContact O-CG1 3.47Å; S391-I395 PolarHBondContact O-N 2.85Å
392	D	94.4	Very high	93.4	Very high	102 Å²	102	85.5 Å²	85.5	55%	0.545	44%	0.441	S	S	.	.	H	α-helix	trans	-63	-37.5	-178.2	-84.4	-0.2	0	0	0	112.4	I390 R396	I390-D392 PolarHBondContact O-N 2.64Å; D392-R396 WeakPolarHBondContact O-CG 3.22Å; D392-R396 PolarHBondContact O-N 3.11Å; D392-R396 VanDerWaalsContact O-N 3.16Å
393	A	94.3	Very high	93.1	Very high	45 Å²	45	82.2 Å²	82.2	37%	0.372	43%	0.43	S	S	.	.	H	α-helix	trans	-68.1	-37.9	176	0	0	0	0	0	111.4	I390 S391 R397	I390-A393 PolarHBondContact O-N 2.9Å; S391-A393 VanDerWaalsContact C-N 3.3Å; S391-A393 PolarHBondContact O-N 3.4Å; A393-R397 WeakPolarHBondContact O-CG 3.36Å; A393-R397 PolarHBondContact O-N 2.88Å
394	L	95.3	Very high	92.6	Very high	13 Å²	13	83.9 Å²	83.9	7%	0.068	44%	0.436	C	S	.	.	H	α-helix	trans	-70.3	-42.4	177.1	-75.7	168.4	0	0	0	112.6	L371 Y374 V378 I390 S391 R396 R397 V398	L371-L394 HydrophobicContact CD1-CD2 4.36Å; Y374-L394 HydrophobicContact CD1-CD2 3.79Å; Y374-L394 HydrophobicContact CE1-CD1 4.03Å; Y374-L394 HydrophobicContact CE1-CD2 3.51Å; Y374-L394 HydrophobicContact CE1-CG 4.35Å; V378-L394 HydrophobicContact CB-CD1 4.25Å; V378-L394 HydrophobicContact CG1-CD1 3.88Å; V378-L394 HydrophobicContact CG2-CD1 4.05Å; I390-L394 HydrophobicContact CD1-CD1 4.24Å; I390-L394 HydrophobicContact CG1-CD1 4.38Å; I390-L394 PolarHBondContact O-N 3.11Å; I390-L394 VanDerWaalsContact O-N 3.14Å; S391-L394 PolarHBondContact O-N 3.07Å; S391-L394 VanDerWaalsContact O-N 3.11Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 2.9Å; L394-R397 WeakPolarHBondContact O-CB 3.44Å; L394-R397 PolarHBondContact O-N 2.91Å; L394-R397 VanDerWaalsContact O-N 3.08Å; L394-V398 WeakPolarHBondContact O-CG2 2.89Å; L394-V398 PolarHBondContact O-N 3.26Å
395	I	95.4	Very high	92.1	Very high	89 Å²	89	82.5 Å²	82.5	46%	0.456	42%	0.419	S	S	.	.	H	α-helix	trans	-57.1	-45.9	174.9	-69.4	164.7	0	0	0	110.2	S391 R397 V398 H399	S391-I395 VanDerWaalsContact O-CG1 3.31Å; S391-I395 WeakPolarHBondContact O-CG1 3.47Å; S391-I395 PolarHBondContact O-N 2.85Å; I395-R397 PolarHBondContact O-N 3.29Å; I395-V398 PolarHBondContact O-N 3.07Å; I395-H399 PolarHBondContact O-CD2 3.06Å; I395-H399 VanDerWaalsContact O-CD2 3.27Å; I395-H399 PolarHBondContact O-N 3.17Å
396	R	94.9	Very high	91.1	Very high	152 Å²	152	81 Å²	81	57%	0.574	41%	0.414	S	S	*	.	H	α-helix	trans	-59.7	-44.6	174	-74	-169.4	-63.3	-96.9	2.1	112.4	D392 L394 H399 M400	D392-R396 WeakPolarHBondContact O-CG 3.22Å; D392-R396 PolarHBondContact O-N 3.11Å; D392-R396 VanDerWaalsContact O-N 3.16Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 2.9Å; R396-H399 PolarHBondContact O-N 3.36Å; R396-M400 WeakPolarHBondContact O-CB 3.37Å; R396-M400 VanDerWaalsContact O-CG 3.26Å; R396-M400 WeakPolarHBondContact O-CG 3.38Å; R396-M400 PolarHBondContact O-N 3.38Å
397	R	95.1	Very high	89.5	Confident	126 Å²	126	90.8 Å²	90.8	48%	0.475	45%	0.451	S	S	.	.	H	α-helix	trans	-62.2	-42.7	178	-76.5	174.8	63.7	-170.8	-1.1	112.2	A393 L394 I395 M400 T401	A393-R397 WeakPolarHBondContact O-CG 3.36Å; A393-R397 PolarHBondContact O-N 2.88Å; L394-R397 WeakPolarHBondContact O-CB 3.44Å; L394-R397 PolarHBondContact O-N 2.91Å; L394-R397 VanDerWaalsContact O-N 3.08Å; I395-R397 PolarHBondContact O-N 3.29Å; R397-M400 PolarHBondContact O-N 3.05Å; R397-T401 PolarHBondContact O-N 3.4Å; R397-T401 PolarHBondContact O-OG1 3Å
398	V	94.4	Very high	88	Confident	59 Å²	59	89.3 Å²	89.3	36%	0.358	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-49.8	177.1	170.1	0	0	0	0	110.5	L371 L394 I395 M400 T401 E402	L371-V398 HydrophobicContact CD2-CG2 4.21Å; L371-V398 HydrophobicContact CG-CG2 4.39Å; L394-V398 WeakPolarHBondContact O-CG2 2.89Å; L394-V398 PolarHBondContact O-N 3.26Å; I395-V398 PolarHBondContact O-N 3.07Å; V398-M400 VanDerWaalsContact C-N 3.32Å; V398-M400 PolarHBondContact O-N 3.06Å; V398-T401 PolarHBondContact O-N 3.24Å; V398-E402 VanDerWaalsContact O-CB 3.29Å; V398-E402 WeakPolarHBondContact O-CB 3.33Å; V398-E402 PolarHBondContact O-N 3.32Å
399	H	92.8	Very high	86.8	Confident	106 Å²	106	84.7 Å²	84.7	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-64.1	-34.9	177.4	-71.6	-46.6	0	0	0	113.3	I395 R396 E402 S403	I395-H399 PolarHBondContact O-CD2 3.06Å; I395-H399 VanDerWaalsContact O-CD2 3.27Å; I395-H399 PolarHBondContact O-N 3.17Å; R396-H399 PolarHBondContact O-N 3.36Å; H399-E402 IonicContact CE1-OE2 2.78Å; H399-E402 IonicContact ND1-OE2 3.73Å; H399-E402 PolarHBondContact ND1-OE2 3.29Å; H399-S403 WeakPolarHBondContact O-CB 3.5Å; H399-S403 PolarHBondContact O-N 3.3Å; H399-S403 PolarHBondContact O-OG 3.07Å
400	M	90.4	Very high	86	Confident	117 Å²	117	83.3 Å²	83.3	58%	0.576	43%	0.429	S	S	*	.	H	α-helix	trans	-64.8	-43.2	172.7	-74.7	178.3	74.7	0	0	111.8	R396 R397 V398 S403 Q404	R396-M400 WeakPolarHBondContact O-CB 3.37Å; R396-M400 VanDerWaalsContact O-CG 3.26Å; R396-M400 WeakPolarHBondContact O-CG 3.38Å; R396-M400 PolarHBondContact O-N 3.38Å; R397-M400 PolarHBondContact O-N 3.05Å; V398-M400 VanDerWaalsContact C-N 3.32Å; V398-M400 PolarHBondContact O-N 3.06Å; M400-S403 PolarHBondContact O-OG 3.22Å; M400-Q404 VanDerWaalsContact O-CG 3.24Å; M400-Q404 WeakPolarHBondContact O-CG 3.3Å; M400-Q404 PolarHBondContact O-N 3.27Å
401	T	89.9	Confident	85.5	Confident	30 Å²	30	84 Å²	84	18%	0.184	44%	0.437	C	S	.	.	H	α-helix	trans	-69.1	-39.8	177	-60.4	0	0	0	0	111.7	T368 L371 R397 V398 Q404 W405	T368-T401 HydrophobicContact CG2-CG2 4.18Å; L371-T401 HydrophobicContact CD2-CG2 4.47Å; R397-T401 PolarHBondContact O-N 3.4Å; R397-T401 PolarHBondContact O-OG1 3Å; V398-T401 PolarHBondContact O-N 3.24Å; T401-Q404 WeakPolarHBondContact O-CB 3.45Å; T401-Q404 PolarHBondContact O-N 3.46Å; T401-W405 PolarHBondContact O-N 3.19Å
402	E	88.5	Confident	85.1	Confident	122 Å²	122	88.8 Å²	88.8	57%	0.57	47%	0.468	S	S	*	.	H	α-helix	trans	-60	-51	175.7	-179	-174.5	-160.3	0	0	111.8	V398 H399 Q404 W405	V398-E402 VanDerWaalsContact O-CB 3.29Å; V398-E402 WeakPolarHBondContact O-CB 3.33Å; V398-E402 PolarHBondContact O-N 3.32Å; H399-E402 IonicContact CE1-OE2 2.78Å; H399-E402 IonicContact ND1-OE2 3.73Å; H399-E402 PolarHBondContact ND1-OE2 3.29Å; E402-Q404 PolarHBondContact O-N 3.34Å; E402-W405 WeakPolarHBondContact O-CB 3.5Å; E402-W405 PolarHBondContact O-N 3.34Å
403	S	85.8	Confident	84.7	Confident	85 Å²	85	91.5 Å²	91.5	59%	0.594	47%	0.47	S	S	*	.	H	α-helix	trans	-61.4	-31.8	178.6	55	0	0	0	0	112.9	H399 M400 W405 G406	H399-S403 WeakPolarHBondContact O-CB 3.5Å; H399-S403 PolarHBondContact O-N 3.3Å; H399-S403 PolarHBondContact O-OG 3.07Å; M400-S403 PolarHBondContact O-OG 3.22Å; S403-W405 VanDerWaalsContact C-N 3.28Å; S403-W405 PolarHBondContact O-N 3.23Å; S403-G406 PolarHBondContact O-N 3.49Å; S403-G406 VanDerWaalsContact O-N 3.07Å
404	Q	84.3	Confident	84.5	Confident	106 Å²	106	92.9 Å²	92.9	50%	0.495	47%	0.47	S	S	.	.	H	α-helix	trans	-65.6	-27.5	174	-73.2	172.3	16.6	0	0	112.9	K364 M400 T401 E402 G406 T409	K364-Q404 VanDerWaalsContact NZ-C 3.29Å; K364-Q404 PolarHBondContact NZ-O 3.14Å; M400-Q404 VanDerWaalsContact O-CG 3.24Å; M400-Q404 WeakPolarHBondContact O-CG 3.3Å; M400-Q404 PolarHBondContact O-N 3.27Å; T401-Q404 WeakPolarHBondContact O-CB 3.45Å; T401-Q404 PolarHBondContact O-N 3.46Å; E402-Q404 PolarHBondContact O-N 3.34Å; Q404-G406 PolarHBondContact O-N 3.46Å; Q404-T409 PolarHBondContact O-OG1 3.05Å
405	W	83.2	Confident	84.2	Confident	64 Å²	64	96.8 Å²	96.8	24%	0.242	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.7	173.4	-75.8	102.2	0	0	0	113.6	K364 L365 T368 T401 E402 S403 T409 L410	K364-W405 HydrophobicContact CB-CH2 4.33Å; K364-W405 HydrophobicContact CB-CZ2 4.16Å; K364-W405 HydrophobicContact CD-CD2 4.33Å; K364-W405 HydrophobicContact CD-CH2 4.34Å; K364-W405 HydrophobicContact CD-CZ2 4.13Å; K364-W405 HydrophobicContact CG-CH2 4.24Å; K364-W405 HydrophobicContact CG-CZ2 3.73Å; L365-W405 HydrophobicContact CB-CH2 4.26Å; L365-W405 HydrophobicContact CB-CZ2 4.47Å; L365-W405 HydrophobicContact CD1-CH2 4.36Å; L365-W405 HydrophobicContact CD1-CZ2 4.43Å; T368-W405 PolarHBondContact OG1-NE1 3.15Å; T401-W405 PolarHBondContact O-N 3.19Å; E402-W405 WeakPolarHBondContact O-CB 3.5Å; E402-W405 PolarHBondContact O-N 3.34Å; S403-W405 VanDerWaalsContact C-N 3.28Å; S403-W405 PolarHBondContact O-N 3.23Å; W405-T409 HydrophobicContact CE3-CG2 3.97Å; W405-T409 HydrophobicContact CZ3-CG2 4.23Å; W405-L410 HydrophobicContact CE3-CD2 4.29Å; W405-L410 HydrophobicContact CE3-CG 4.47Å; W405-L410 HydrophobicContact CZ3-CD2 3.9Å
406	G	70.1	Confident	83.8	Confident	38 Å²	38	97.2 Å²	97.2	39%	0.392	51%	0.505	S	S	.	.			trans	-56	172	-178.7	0	0	0	0	0	116	S403 Q404 G408 T409	S403-G406 PolarHBondContact O-N 3.49Å; S403-G406 VanDerWaalsContact O-N 3.07Å; Q404-G406 PolarHBondContact O-N 3.46Å; G406-G408 PolarHBondContact O-N 3.07Å; G406-T409 PolarHBondContact O-N 3.39Å; G406-T409 PolarHBondContact O-OG1 3.08Å
407	K	59	Low	83.5	Confident	226 Å²	226	95.4 Å²	95.4	98%	0.983	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.5	120.4	-164	-76.5	-175.3	176.9	-179.3	0	114
408	G	64.3	Low	83.2	Confident	39 Å²	39	93.6 Å²	93.6	40%	0.402	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	108	-11.9	174.8	0	0	0	0	0	115.6	G406 T411	G406-G408 PolarHBondContact O-N 3.07Å; G408-T411 PolarHBondContact O-OG1 3.07Å; G408-T411 VanDerWaalsContact O-OG1 3.08Å
409	T	70.2	Confident	82.7	Confident	23 Å²	23	98.2 Å²	98.2	14%	0.141	53%	0.526	C	S	.	.	S	Bend	trans	-68.9	-37.5	176.6	-59.5	0	0	0	0	112.3	K364 Q404 W405 G406	K364-T409 HydrophobicContact CD-CG2 4.42Å; Q404-T409 PolarHBondContact O-OG1 3.05Å; W405-T409 HydrophobicContact CE3-CG2 3.97Å; W405-T409 HydrophobicContact CZ3-CG2 4.23Å; G406-T409 PolarHBondContact O-N 3.39Å; G406-T409 PolarHBondContact O-OG1 3.08Å
410	L	77.6	Confident	82.5	Confident	132 Å²	132	96.7 Å²	96.7	69%	0.691	52%	0.52	S	S	*	.	S	Bend	trans	-99.3	8.6	-174.7	-65.2	175.8	0	0	0	114.1	W405	W405-L410 HydrophobicContact CE3-CD2 4.29Å; W405-L410 HydrophobicContact CE3-CG 4.47Å; W405-L410 HydrophobicContact CZ3-CD2 3.9Å
411	T	83.2	Confident	82.5	Confident	81 Å²	81	97.8 Å²	97.8	50%	0.497	53%	0.534	S	S	.	.	S	Bend	trans	-94.1	134	177	51	0	0	0	0	110.3	Q357 G408 R413	Q357-T411 PolarHBondContact NE2-O 2.71Å; G408-T411 PolarHBondContact O-OG1 3.07Å; G408-T411 VanDerWaalsContact O-OG1 3.08Å; T411-R413 PolarHBondContact O-N 2.86Å
412	P	84.2	Confident	82.6	Confident	110 Å²	110	102.6 Å²	102.6	71%	0.714	56%	0.558	S	S	*	*			trans	-56	130.9	174.4	-23.5	33.1	0	0	0	111
413	R	86.4	Confident	82.7	Confident	159 Å²	159	102.8 Å²	102.8	60%	0.6	56%	0.563	S	S	*	*	S	Bend	trans	-85.4	-10.1	178.1	-69.4	179.6	-178.4	-177.4	0.3	113.7	V353 Q357 T411	V353-R413 HydrophobicContact CG1-CB 4.35Å; Q357-R413 VanDerWaalsContact OE1-N 3.08Å; T411-R413 PolarHBondContact O-N 2.86Å
414	M	90	Very high	83.1	Confident	73 Å²	73	101.7 Å²	101.7	36%	0.36	56%	0.555	S	S	.	*	S	Bend	trans	-140.6	151.2	-176.3	-69.9	-62.7	152.3	0	0	111	V353 V354	V353-M414 HydrophobicContact CB-CE 4.41Å; V353-M414 HydrophobicContact CB-CG 3.72Å; V353-M414 HydrophobicContact CG1-CE 3.85Å; V353-M414 HydrophobicContact CG1-CG 3.36Å; V353-M414 HydrophobicContact CG1-SD 4.4Å; V353-M414 HydrophobicContact CG2-CE 4.17Å; V353-M414 HydrophobicContact CG2-CG 4.37Å; V354-M414 HydrophobicContact CG2-CB 4.22Å
415	T	87.9	Confident	83.4	Confident	95 Å²	95	98.4 Å²	98.4	58%	0.583	55%	0.549	S	S	*	.			trans	-91.7	153.7	172.9	61.7	0	0	0	0	111.1	K350	K350-T415 PolarHBondContact NZ-O 3.07Å; K350-T415 PolarHBondContact NZ-OG1 2.87Å
416	S	86.7	Confident	83.8	Confident	98 Å²	98	98.9 Å²	98.9	69%	0.685	56%	0.561	S	S	*	*	S	Bend	trans	-72.6	-27.8	174.2	47.3	0	0	0	0	113.4
417	D	89.2	Confident	84.8	Confident	114 Å²	114	101.3 Å²	101.3	61%	0.61	57%	0.565	S	S	*	*	S	Bend	trans	-82.5	143.9	-166.3	-51.8	-28.9	0	0	0	111.7	K350	K350-D417 PolarHBondContact NZ-O 3.13Å
418	F	89.4	Confident	86.3	Confident	88 Å²	88	94.7 Å²	94.7	39%	0.386	54%	0.54	S	S	.	.			trans	-88.2	117.4	174.9	-75.5	-101.9	0	0	0	109.6	V343 E346 H347 L420	V343-F418 HydrophobicContact CG1-CD1 4.48Å; V343-F418 HydrophobicContact CG1-CE1 4.21Å; E346-F418 HydrophobicContact CB-CD1 4.39Å; E346-F418 HydrophobicContact CB-CE1 4.17Å; E346-F418 HydrophobicContact CG-CD1 3.98Å; E346-F418 HydrophobicContact CG-CE1 4.04Å; H347-F418 HydrophobicContact CB-CE1 3.97Å; H347-F418 HydrophobicContact CB-CZ 3.74Å; F418-L420 HydrophobicContact CD1-CD1 4.37Å; F418-L420 PolarHBondContact O-N 3.11Å; F418-L420 VanDerWaalsContact O-N 3.11Å
419	D	84.1	Confident	87.4	Confident	157 Å²	157	98.5 Å²	98.5	84%	0.84	55%	0.547	S	S	*	.			trans	-88.3	58.4	175	-164.5	20.6	0	0	0	110.4
420	L	88.6	Confident	88.2	Confident	73 Å²	73	101.5 Å²	101.5	38%	0.382	57%	0.565	S	S	.	*			trans	-130.4	117.9	179.4	-65.1	174.5	0	0	0	108.6	V343 E346 F418	V343-L420 HydrophobicContact CG2-CD1 4.01Å; E346-L420 HydrophobicContact CB-CD1 4.49Å; F418-L420 HydrophobicContact CD1-CD1 4.37Å; F418-L420 PolarHBondContact O-N 3.11Å; F418-L420 VanDerWaalsContact O-N 3.11Å
421	T	89.3	Confident	88.7	Confident	140 Å²	140	99.3 Å²	99.3	86%	0.859	55%	0.553	S	S	*	*			trans	-115.3	135.3	175.6	52.5	0	0	0	0	110
422	L	92.6	Very high	88.8	Confident	132 Å²	132	103.1 Å²	103.1	69%	0.691	57%	0.565	S	S	*	*			trans	-100.4	116.6	174.2	178.9	65.1	0	0	0	108.8	L339	L339-L422 HydrophobicContact CD1-CD1 3.92Å
423	D	91.4	Very high	88.8	Confident	126 Å²	126	104.2 Å²	104.2	67%	0.674	56%	0.561	S	S	*	*			trans	-93.5	111.6	168.6	-178.7	13.6	0	0	0	110.1	G425 P426	D423-G425 PolarHBondContact OD1-N 3.15Å; D423-P426 WeakPolarHBondContact OD1-CD 3.38Å
424	S	92.5	Very high	88.7	Confident	61 Å²	61	102 Å²	102	43%	0.427	56%	0.56	S	S	.	*			trans	-101.9	-3.8	176.8	61.9	0	0	0	0	113.7	L427 L428	S424-L427 PolarHBondContact O-N 3.18Å; S424-L428 WeakPolarHBondContact O-CG 3.48Å; S424-L428 PolarHBondContact O-N 2.66Å
425	G	90.9	Very high	88.4	Confident	37 Å²	37	104.7 Å²	104.7	38%	0.381	58%	0.576	S	S	.	*	H	α-helix	trans	-57	-53.5	-173	0	0	0	0	0	113.6	D423 L427 L428 Q429	D423-G425 PolarHBondContact OD1-N 3.15Å; G425-L427 VanDerWaalsContact C-N 3.34Å; G425-L427 PolarHBondContact O-N 2.92Å; G425-L428 PolarHBondContact O-N 3.25Å; G425-Q429 PolarHBondContact O-N 3.43Å
426	P	92.6	Very high	87.9	Confident	75 Å²	75	106.5 Å²	106.5	49%	0.487	58%	0.576	S	S	.	*	H	α-helix	trans	-58.9	-42.5	-179.9	-26.4	35.1	0	0	0	113.2	D423 Q429 T430	D423-P426 WeakPolarHBondContact OD1-CD 3.38Å; P426-Q429 WeakPolarHBondContact O-CB 3.41Å; P426-Q429 PolarHBondContact O-N 3.38Å; P426-T430 PolarHBondContact O-N 3.08Å; P426-T430 PolarHBondContact O-OG1 3.41Å; P426-T430 VanDerWaalsContact O-OG1 3.11Å
427	L	91.3	Very high	87	Confident	89 Å²	89	108 Å²	108	47%	0.466	58%	0.581	S	S	.	*	H	α-helix	trans	-67.2	-40.9	-179.4	-179.5	62.7	0	0	0	111.9	L332 S424 G425 Q429 T430 I431	L332-L427 HydrophobicContact CD1-CD2 3.79Å; S424-L427 PolarHBondContact O-N 3.18Å; G425-L427 VanDerWaalsContact C-N 3.34Å; G425-L427 PolarHBondContact O-N 2.92Å; L427-Q429 VanDerWaalsContact C-N 3.29Å; L427-Q429 PolarHBondContact O-N 3.35Å; L427-T430 PolarHBondContact O-N 3.34Å; L427-I431 HydrophobicContact CD1-CD1 4.47Å; L427-I431 HydrophobicContact CG-CD1 4.14Å; L427-I431 WeakPolarHBondContact O-CG1 3.47Å; L427-I431 PolarHBondContact O-N 3.34Å
428	L	90.4	Very high	85.4	Confident	87 Å²	87	108.1 Å²	108.1	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-62.2	-39.1	175.4	-75	171.1	0	0	0	111.6	S424 G425 I431 H432	S424-L428 WeakPolarHBondContact O-CG 3.48Å; S424-L428 PolarHBondContact O-N 2.66Å; G425-L428 PolarHBondContact O-N 3.25Å; L428-I431 PolarHBondContact O-N 3.05Å; L428-H432 PolarHBondContact O-N 3.36Å
429	Q	86.1	Confident	84	Confident	118 Å²	118	111.7 Å²	111.7	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-63	-43.2	175.5	-174.5	174.7	-1.2	0	0	111.7	G425 P426 L427 H432 Q433	G425-Q429 PolarHBondContact O-N 3.43Å; P426-Q429 WeakPolarHBondContact O-CB 3.41Å; P426-Q429 PolarHBondContact O-N 3.38Å; L427-Q429 VanDerWaalsContact C-N 3.29Å; L427-Q429 PolarHBondContact O-N 3.35Å; Q429-H432 PolarHBondContact O-N 2.98Å; Q429-Q433 WeakPolarHBondContact O-CG 3.24Å; Q429-Q433 PolarHBondContact O-N 3.34Å; Q429-Q433 VanDerWaalsContact O-N 3.17Å
430	T	86.9	Confident	83.6	Confident	87 Å²	87	109.2 Å²	109.2	53%	0.534	58%	0.579	S	S	.	*	H	α-helix	trans	-63.4	-39.9	175.2	-50.4	0	0	0	0	112.1	P426 L427 Q433 L434	P426-T430 PolarHBondContact O-N 3.08Å; P426-T430 PolarHBondContact O-OG1 3.41Å; P426-T430 VanDerWaalsContact O-OG1 3.11Å; L427-T430 PolarHBondContact O-N 3.34Å; T430-Q433 PolarHBondContact O-N 3.27Å; T430-Q433 VanDerWaalsContact O-N 3.15Å; T430-L434 PolarHBondContact O-N 3.01Å
431	I	89.7	Confident	83.5	Confident	86 Å²	86	108.8 Å²	108.8	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-63.8	-40.5	176.2	-69.4	168.6	0	0	0	111.1	L427 L428 Q433 L434	L427-I431 HydrophobicContact CD1-CD1 4.47Å; L427-I431 HydrophobicContact CG-CD1 4.14Å; L427-I431 WeakPolarHBondContact O-CG1 3.47Å; L427-I431 PolarHBondContact O-N 3.34Å; L428-I431 PolarHBondContact O-N 3.05Å; I431-Q433 PolarHBondContact O-N 2.58Å; I431-L434 VanDerWaalsContact O-CB 3.28Å; I431-L434 WeakPolarHBondContact O-CB 3.33Å; I431-L434 PolarHBondContact O-N 2.84Å
432	H	85.5	Confident	83.6	Confident	161 Å²	161	102.2 Å²	102.2	75%	0.745	54%	0.54	S	S	*	.	H	α-helix	trans	-65.8	-23.1	175.1	-70.7	166.8	0	0	0	113.7	L428 Q429	L428-H432 PolarHBondContact O-N 3.36Å; Q429-H432 PolarHBondContact O-N 2.98Å
433	Q	83.1	Confident	83.5	Confident	132 Å²	132	98.1 Å²	98.1	62%	0.617	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.6	176.8	-69.2	171.8	-7.5	0	0	113	Q429 T430 I431 D435	Q429-Q433 WeakPolarHBondContact O-CG 3.24Å; Q429-Q433 PolarHBondContact O-N 3.34Å; Q429-Q433 VanDerWaalsContact O-N 3.17Å; T430-Q433 PolarHBondContact O-N 3.27Å; T430-Q433 VanDerWaalsContact O-N 3.15Å; I431-Q433 PolarHBondContact O-N 2.58Å; Q433-D435 PolarHBondContact O-N 2.9Å
434	L	85.5	Confident	83.7	Confident	113 Å²	113	93.5 Å²	93.5	59%	0.592	50%	0.504	S	S	*	.			trans	-71.9	107.9	178.2	-174	67.7	0	0	0	109.7	L328 T430 I431	L328-L434 HydrophobicContact CD1-CD2 4.01Å; T430-L434 PolarHBondContact O-N 3.01Å; I431-L434 VanDerWaalsContact O-CB 3.28Å; I431-L434 WeakPolarHBondContact O-CB 3.33Å; I431-L434 PolarHBondContact O-N 2.84Å
435	D	83.1	Confident	83.9	Confident	130 Å²	130	90.8 Å²	90.8	70%	0.695	49%	0.485	S	S	*	.			trans	-140.4	166.3	-177.2	-159.6	-2.9	0	0	0	110.8	Q433 V437	Q433-D435 PolarHBondContact O-N 2.9Å; D435-V437 PolarHBondContact O-N 3.26Å
436	F	77.8	Confident	84.1	Confident	132 Å²	132	92.5 Å²	92.5	58%	0.579	48%	0.484	S	S	*	.			trans	-68.5	103.4	174	-66	-73.7	0	0	0	110.2	F317 L321 Q438	F317-F436 AromaticContact CE1-CE1 3.93Å; F317-F436 HydrophobicContact CE1-CE1 3.93Å; F317-F436 HydrophobicContact CZ-CD1 4.15Å; F317-F436 AromaticContact CZ-CE1 3.92Å; F317-F436 HydrophobicContact CZ-CE1 3.92Å; L321-F436 HydrophobicContact CD1-CE1 3.96Å; L321-F436 HydrophobicContact CD1-CZ 4.31Å; L321-F436 HydrophobicContact CD2-CE1 3.95Å; L321-F436 HydrophobicContact CD2-CZ 3.7Å; F436-Q438 PolarHBondContact O-N 2.98Å
437	V	66.1	Low	84.3	Confident	129 Å²	129	90 Å²	90	78%	0.782	47%	0.467	S	S	*	.			trans	-74.1	110.9	168.7	-171.4	0	0	0	0	107.6	D435 M439	D435-V437 PolarHBondContact O-N 3.26Å; V437-M439 PolarHBondContact O-N 2.78Å
438	Q	56.8	Low	84.5	Confident	118 Å²	118	87.1 Å²	87.1	55%	0.551	45%	0.451	S	S	*	.			trans	-60.1	114.7	171.3	-152.6	170	32.9	0	0	107.1	F436 K440	F436-Q438 PolarHBondContact O-N 2.98Å; Q438-K440 VanDerWaalsContact CD-NZ 3.26Å; Q438-K440 HydrophobicContact CG-CD 3.99Å; Q438-K440 HydrophobicContact CG-CG 4.04Å; Q438-K440 PolarHBondContact O-N 2.97Å
439	M	60.1	Low	84.7	Confident	163 Å²	163	88.1 Å²	88.1	80%	0.803	46%	0.456	S	S	*	.			trans	-68.6	64.2	177.5	-69	-146.8	-54.7	0	0	111	V437 S520	V437-M439 PolarHBondContact O-N 2.78Å; M439-S520 VanDerWaalsContact CA-OG 3.28Å; M439-S520 WeakPolarHBondContact CA-OG 3.38Å
440	K	74.9	Confident	85	Confident	104 Å²	104	89.4 Å²	89.4	45%	0.452	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-101.6	127.4	174.3	-78.8	178.1	175.7	169.1	0	107	Q438 I471 N518	Q438-K440 VanDerWaalsContact CD-NZ 3.26Å; Q438-K440 HydrophobicContact CG-CD 3.99Å; Q438-K440 HydrophobicContact CG-CG 4.04Å; Q438-K440 PolarHBondContact O-N 2.97Å; K440-I471 HydrophobicContact CB-CD1 4.01Å; K440-I471 HydrophobicContact CB-CG1 4.33Å; K440-I471 WeakPolarHBondContact O-CG2 3.45Å; K440-N518 PolarHBondContact O-ND2 2.92Å
441	V	86.3	Confident	85.3	Confident	65 Å²	65	89.6 Å²	89.6	39%	0.394	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-58.9	150.3	166.7	-61.6	0	0	0	0	109.5
442	P	91.4	Very high	85.6	Confident	2 Å²	2	86.5 Å²	86.5	1%	0.013	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-57.1	151.5	177.8	-29.8	40	0	0	0	113.4	V473 A516 N518 G523	P442-V473 HydrophobicContact CB-CG2 3.93Å; P442-V473 HydrophobicContact CG-CG2 4.13Å; P442-A516 HydrophobicContact CB-CB 3.51Å; P442-A516 HydrophobicContact CG-CB 4.12Å; P442-N518 HydrophobicContact CG-CB 4.06Å; P442-G523 WeakPolarHBondContact O-CA 3.34Å
443	A	91.6	Very high	86	Confident	46 Å²	46	81.2 Å²	81.2	38%	0.38	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-67.5	158	169.9	0	0	0	0	0	111.2	P466	A443-P466 HydrophobicContact CB-CG 3.98Å
444	A	94.9	Very high	86.5	Confident	28 Å²	28	77.5 Å²	77.5	23%	0.231	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-58.7	129.4	176.8	0	0	0	0	0	111.1	P466 Q524 Y525	A444-P466 VanDerWaalsContact O-CG 3.25Å; A444-P466 WeakPolarHBondContact O-CG 3.49Å; A444-Q524 WeakPolarHBondContact CA-O 3.29Å; A444-Q524 HydrophobicContact CB-CB 4.15Å; A444-Q524 WeakPolarHBondContact CB-O 3.27Å; A444-Y525 WeakPolarHBondContact CB-O 3.19Å
445	P	96.3	Very high	86.7	Confident	5 Å²	5	78 Å²	78	3%	0.032	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-63.6	153.4	175.2	-17	29.1	0	0	0	112	W463 Y476 V514 A516 S526	P445-W463 HydrophobicContact CB-CB 4.28Å; P445-W463 HydrophobicContact CB-CG 4.44Å; P445-Y476 HydrophobicContact CB-CD1 4.36Å; P445-Y476 HydrophobicContact CB-CE1 4.17Å; P445-Y476 HydrophobicContact CG-CD1 3.74Å; P445-Y476 HydrophobicContact CG-CE1 3.82Å; P445-V514 HydrophobicContact CB-CG1 3.87Å; P445-V514 HydrophobicContact CG-CG1 4.11Å; P445-V514 HydrophobicContact CG-CG2 4.32Å; P445-A516 HydrophobicContact CG-CB 3.92Å; P445-S526 WeakPolarHBondContact O-CB 3.45Å
446	I	96.1	Very high	87	Confident	72 Å²	72	74 Å²	74	37%	0.369	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.8	178.5	-56.5	177.2	0	0	0	108.4	W463 K464 P466	I446-W463 CarbonylContact O-C 3.43Å; I446-W463 WeakPolarHBondContact O-CA 3.37Å; I446-K464 HydrophobicContact CB-CG 4.32Å; I446-K464 PolarHBondContact N-O 3.33Å; I446-K464 PolarHBondContact O-N 3.07Å; I446-P466 HydrophobicContact CD1-CB 4.14Å; I446-P466 HydrophobicContact CD1-CG 4.21Å; I446-P466 HydrophobicContact CG1-CG 4.15Å
447	L	96.6	Very high	87.7	Confident	24 Å²	24	69.2 Å²	69.2	13%	0.126	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.6	173.6	-70.1	166.3	0	0	0	110.8	L449 S462 W463 V514 K527 L529	L447-L449 HydrophobicContact CB-CD2 4.27Å; L447-L449 PolarHBondContact O-N 3.46Å; L447-S462 WeakPolarHBondContact CA-O 3.39Å; L447-W463 HydrophobicContact CD2-CB 4.22Å; L447-V514 HydrophobicContact CD2-CG1 3.99Å; L447-V514 HydrophobicContact CG-CG1 4.39Å; L447-K527 VanDerWaalsContact CD1-O 3.27Å; L447-K527 WeakPolarHBondContact CD1-O 3.48Å; L447-L529 HydrophobicContact CD1-CB 3.68Å; L447-L529 HydrophobicContact CD1-CD2 4.49Å
448	Q	95.9	Very high	89	Confident	28 Å²	28	63.8 Å²	63.8	13%	0.131	34%	0.336	C	S	.	.			trans	-91.8	87.2	175.4	-64.2	-173.8	-115.7	0	0	108.6	E450 E451 C452 S462 K464	Q448-E450 PolarHBondContact O-N 3.07Å; Q448-E451 HydrophobicContact CB-CB 4.24Å; Q448-E451 PolarHBondContact NE2-OE1 3.35Å; Q448-E451 PolarHBondContact O-N 3.31Å; Q448-C452 PolarHBondContact O-N 2.98Å; Q448-C452 VanDerWaalsContact O-N 3.11Å; Q448-C452 PolarHBondContact O-SG 3.16Å; Q448-S462 PolarHBondContact N-O 3.07Å; Q448-S462 PolarHBondContact OE1-OG 3.27Å; Q448-K464 HydrophobicContact CG-CD 4.03Å; Q448-K464 HydrophobicContact CG-CG 4.13Å
449	L	93.5	Very high	90.9	Very high	107 Å²	107	58.2 Å²	58.2	56%	0.56	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.9	-170.9	-60.6	-178.5	0	0	0	112.7	L447 E451 C452 L529	L447-L449 HydrophobicContact CB-CD2 4.27Å; L447-L449 PolarHBondContact O-N 3.46Å; L449-E451 VanDerWaalsContact C-N 3.26Å; L449-E451 PolarHBondContact O-N 2.93Å; L449-C452 PolarHBondContact O-N 3.43Å; L449-L529 HydrophobicContact CD2-CD1 3.72Å; L449-L529 HydrophobicContact CD2-CD2 4.31Å
450	E	93.3	Very high	92.6	Very high	145 Å²	145	51.5 Å²	51.5	68%	0.678	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24	176.3	60.6	-81.3	-176.5	0	0	114.4	Q448	Q448-E450 PolarHBondContact O-N 3.07Å
451	E	93.6	Very high	93.7	Very high	92 Å²	92	46.5 Å²	46.5	43%	0.43	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-11.2	178.4	-71.9	172	-152.7	0	0	112.1	Q448 L449 S462	Q448-E451 HydrophobicContact CB-CB 4.24Å; Q448-E451 PolarHBondContact NE2-OE1 3.35Å; Q448-E451 PolarHBondContact O-N 3.31Å; L449-E451 VanDerWaalsContact C-N 3.26Å; L449-E451 PolarHBondContact O-N 2.93Å; E451-S462 WeakPolarHBondContact OE2-CB 3.31Å; E451-S462 PolarHBondContact OE2-OG 3.26Å
452	C	94.8	Very high	94.2	Very high	21 Å²	21	43.5 Å²	43.5	14%	0.142	24%	0.238	C	C	.	.			trans	-80	129.8	174.2	-62.2	0	0	0	0	109.9	Q448 L449 T460 S462 L529	Q448-C452 PolarHBondContact O-N 2.98Å; Q448-C452 VanDerWaalsContact O-N 3.11Å; Q448-C452 PolarHBondContact O-SG 3.16Å; L449-C452 PolarHBondContact O-N 3.43Å; C452-T460 CarbonylContact C-O 3.58Å; C452-T460 VanDerWaalsContact CA-O 3.23Å; C452-T460 WeakPolarHBondContact CA-O 3.44Å; C452-S462 PolarHBondContact SG-N 2.82Å; C452-S462 VanDerWaalsContact SG-N 3.38Å; C452-L529 HydrophobicContact CB-CD2 3.89Å
453	C	93.8	Very high	94.5	Very high	49 Å²	49	43.4 Å²	43.4	33%	0.331	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	156.8	177.5	65	0	0	0	0	112	A459 T460	C453-A459 CarbonylContact O-C 3.55Å; C453-A459 WeakPolarHBondContact O-CA 3.42Å; C453-T460 PolarHBondContact N-O 2.94Å; C453-T460 PolarHBondContact O-N 3.39Å
454	T	93.6	Very high	94.7	Very high	55 Å²	55	45.4 Å²	45.4	34%	0.337	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.7	169.9	47	0	0	0	0	109.3	S458 A459 M531 Q532	T454-S458 CarbonylContact C-O 3.51Å; T454-S458 WeakPolarHBondContact CA-O 3.26Å; T454-A459 HydrophobicContact CG2-CB 4.08Å; T454-M531 HydrophobicContact CG2-CB 3.7Å; T454-M531 HydrophobicContact CG2-CG 4.41Å; T454-M531 HydrophobicContact CG2-SD 4.47Å; T454-Q532 WeakPolarHBondContact CB-O 3.39Å; T454-Q532 PolarHBondContact OG1-O 2.89Å; T454-Q532 VanDerWaalsContact OG1-O 3.09Å
455	Q	90.3	Very high	94.5	Very high	124 Å²	124	47.1 Å²	47.1	58%	0.579	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.5	176	-63.3	-176.4	22.4	0	0	108	N457 S458	Q455-N457 PolarHBondContact O-N 2.95Å; Q455-S458 PolarHBondContact N-O 3.26Å; Q455-S458 PolarHBondContact O-N 2.87Å; Q455-S458 PolarHBondContact O-OG 2.87Å
456	N	90.2	Very high	94.2	Very high	45 Å²	45	48.2 Å²	48.2	24%	0.241	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-111.2	-179.2	-158.5	45	0	0	0	112.1	F506 T533 S534 W538	N456-F506 VanDerWaalsContact OD1-CE1 3.3Å; N456-F506 WeakPolarHBondContact OD1-CE1 3.2Å; N456-T533 WeakPolarHBondContact O-CB 3.23Å; N456-S534 WeakPolarHBondContact O-CB 3.22Å; N456-S534 PolarHBondContact O-N 2.86Å; N456-W538 PolarHBondContact ND2-O 3.12Å; N456-W538 WeakPolarHBondContact OD1-CB 3.42Å; N456-W538 PolarHBondContact OD1-N 3.29Å; N456-W538 VanDerWaalsContact OD1-N 3.13Å
457	N	91.5	Very high	93.4	Very high	31 Å²	31	50.5 Å²	50.5	17%	0.166	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	25.5	174.9	66.7	-32.4	0	0	0	113.8	Q455 G503 L504 F506	Q455-N457 PolarHBondContact O-N 2.95Å; N457-G503 PolarHBondContact O-N 3.48Å; N457-L504 VanDerWaalsContact CB-O 3.29Å; N457-L504 WeakPolarHBondContact CB-O 3.14Å; N457-L504 VanDerWaalsContact O-CB 3.27Å; N457-L504 WeakPolarHBondContact O-CB 3.5Å; N457-L504 PolarHBondContact O-N 2.87Å; N457-F506 HydrophobicContact CB-CD1 4.2Å; N457-F506 HydrophobicContact CB-CD2 4.34Å; N457-F506 HydrophobicContact CB-CE1 3.69Å; N457-F506 HydrophobicContact CB-CE2 3.85Å; N457-F506 HydrophobicContact CB-CZ 3.52Å
458	S	93.9	Very high	92.6	Very high	16 Å²	16	57.3 Å²	57.3	11%	0.112	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.3	173.6	70.4	0	0	0	0	112.2	T454 Q455 V501 D502	T454-S458 CarbonylContact C-O 3.51Å; T454-S458 WeakPolarHBondContact CA-O 3.26Å; Q455-S458 PolarHBondContact N-O 3.26Å; Q455-S458 PolarHBondContact O-N 2.87Å; Q455-S458 PolarHBondContact O-OG 2.87Å; S458-V501 CarbonylContact C-O 3.59Å; S458-V501 WeakPolarHBondContact CA-O 3.38Å; S458-V501 WeakPolarHBondContact CB-O 3.24Å; S458-D502 WeakPolarHBondContact CB-OD1 3.41Å
459	A	95.4	Very high	91.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.4	176.6	0	0	0	0	0	110.1	C453 T454 L461 T500 V501 L504 M531	C453-A459 CarbonylContact O-C 3.55Å; C453-A459 WeakPolarHBondContact O-CA 3.42Å; T454-A459 HydrophobicContact CG2-CB 4.08Å; A459-L461 HydrophobicContact CB-CD1 4.37Å; A459-T500 CarbonylContact O-C 3.49Å; A459-T500 WeakPolarHBondContact O-CA 3.19Å; A459-V501 PolarHBondContact N-O 2.84Å; A459-V501 PolarHBondContact O-N 3.38Å; A459-L504 HydrophobicContact CB-CD1 3.69Å; A459-M531 HydrophobicContact CB-CE 3.64Å; A459-M531 HydrophobicContact CB-SD 4.03Å
460	T	96.7	Very high	91.1	Very high	21 Å²	21	58.9 Å²	58.9	13%	0.129	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.4	172.4	-57.8	0	0	0	0	109.1	C452 C453 I498 C499 T500	C452-T460 CarbonylContact C-O 3.58Å; C452-T460 VanDerWaalsContact CA-O 3.23Å; C452-T460 WeakPolarHBondContact CA-O 3.44Å; C453-T460 PolarHBondContact N-O 2.94Å; C453-T460 PolarHBondContact O-N 3.39Å; T460-I498 HydrophobicContact CG2-CD1 3.99Å; T460-I498 HydrophobicContact CG2-CG1 3.94Å; T460-C499 WeakPolarHBondContact CA-O 3.49Å; T460-T500 PolarHBondContact OG1-OG1 3.04Å
461	L	97.6	Very high	90.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	137.8	177	-59.2	98.8	0	0	0	110.1	A459 W463 L478 L480 I498 C499 V501 S512 L529 M531	A459-L461 HydrophobicContact CB-CD1 4.37Å; L461-W463 HydrophobicContact CB-CE3 4.25Å; L461-W463 HydrophobicContact CB-CZ3 4.02Å; L461-W463 WeakPolarHBondContact O-CZ3 3.29Å; L461-L478 HydrophobicContact CD1-CD2 4.03Å; L461-L478 HydrophobicContact CD2-CD1 4.06Å; L461-L480 HydrophobicContact CD1-CD1 4.49Å; L461-I498 CarbonylContact O-C 3.59Å; L461-I498 VanDerWaalsContact O-CA 3.29Å; L461-I498 WeakPolarHBondContact O-CA 3.47Å; L461-C499 PolarHBondContact N-O 3.33Å; L461-C499 PolarHBondContact O-N 2.82Å; L461-V501 HydrophobicContact CD1-CG2 4.31Å; L461-S512 VanDerWaalsContact CD2-CB 3.44Å; L461-S512 WeakPolarHBondContact CD2-OG 3.47Å; L461-L529 HydrophobicContact CD2-CD2 4.27Å; L461-M531 HydrophobicContact CD1-CE 4Å; L461-M531 HydrophobicContact CD1-SD 4.39Å; L461-M531 HydrophobicContact CD2-CE 3.84Å; L461-M531 HydrophobicContact CD2-SD 3.95Å; L461-M531 HydrophobicContact CG-CE 4.11Å; L461-M531 HydrophobicContact CG-SD 3.98Å
462	S	97.7	Very high	90.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.2	176.4	177.3	0	0	0	0	110	L447 Q448 E451 C452 T497	L447-S462 WeakPolarHBondContact CA-O 3.39Å; Q448-S462 PolarHBondContact N-O 3.07Å; Q448-S462 PolarHBondContact OE1-OG 3.27Å; E451-S462 WeakPolarHBondContact OE2-CB 3.31Å; E451-S462 PolarHBondContact OE2-OG 3.26Å; C452-S462 PolarHBondContact SG-N 2.82Å; C452-S462 VanDerWaalsContact SG-N 3.38Å; S462-T497 CarbonylContact C-O 3.48Å; S462-T497 WeakPolarHBondContact CA-O 3.29Å
463	W	97.6	Very high	90.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.1	-179.7	57.8	86.5	0	0	0	112.1	P445 I446 L447 L461 Y476 L478 Y492 E496 T497 C499 V514	P445-W463 HydrophobicContact CB-CB 4.28Å; P445-W463 HydrophobicContact CB-CG 4.44Å; I446-W463 CarbonylContact O-C 3.43Å; I446-W463 WeakPolarHBondContact O-CA 3.37Å; L447-W463 HydrophobicContact CD2-CB 4.22Å; L461-W463 HydrophobicContact CB-CE3 4.25Å; L461-W463 HydrophobicContact CB-CZ3 4.02Å; L461-W463 WeakPolarHBondContact O-CZ3 3.29Å; W463-Y476 AromaticContact CD1-CD1 3.67Å; W463-Y476 AromaticContact CD1-CE1 3.79Å; W463-Y476 AromaticContact CD1-CG 3.95Å; W463-Y476 HydrophobicContact CZ2-CG 4.47Å; W463-Y476 AromaticContact NE1-CD1 3.36Å; W463-Y476 AromaticContact NE1-CD2 3.44Å; W463-Y476 AromaticContact NE1-CE1 3.83Å; W463-Y476 AromaticContact NE1-CE2 3.92Å; W463-Y476 AromaticContact NE1-CG 3.15Å; W463-L478 HydrophobicContact CH2-CB 4.24Å; W463-L478 HydrophobicContact CH2-CD2 4.21Å; W463-L478 HydrophobicContact CZ3-CD1 4.48Å; W463-L478 HydrophobicContact CZ3-CD2 4.09Å; W463-Y492 HydrophobicContact CH2-CD1 4.03Å; W463-Y492 HydrophobicContact CH2-CE1 4.27Å; W463-Y492 HydrophobicContact CZ2-CD1 4.08Å; W463-Y492 AromaticContact CZ2-CE1 3.97Å; W463-Y492 HydrophobicContact CZ2-CE1 3.97Å; W463-E496 WeakPolarHBondContact CZ2-O 3.27Å; W463-T497 PolarHBondContact N-O 2.82Å; W463-T497 WeakPolarHBondContact O-CB 3.4Å; W463-T497 WeakPolarHBondContact O-CG2 3.22Å; W463-C499 HydrophobicContact CH2-CB 3.61Å; W463-C499 HydrophobicContact CZ3-CB 3.99Å; W463-V514 HydrophobicContact CB-CG1 4.02Å; W463-V514 HydrophobicContact CD2-CB 4.4Å; W463-V514 HydrophobicContact CD2-CG1 4.28Å; W463-V514 HydrophobicContact CD2-CG2 3.88Å; W463-V514 HydrophobicContact CE3-CG2 4.38Å; W463-V514 HydrophobicContact CG-CG1 4.03Å; W463-V514 HydrophobicContact CG-CG2 4.13Å; W463-V514 HydrophobicContact CZ2-CG2 4.22Å
464	K	95.1	Very high	90.1	Very high	89 Å²	89	56 Å²	56	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	158.4	176.4	63.4	-173.7	172.1	-159.7	0	112.7	I446 Q448	I446-K464 HydrophobicContact CB-CG 4.32Å; I446-K464 PolarHBondContact N-O 3.33Å; I446-K464 PolarHBondContact O-N 3.07Å; Q448-K464 HydrophobicContact CG-CD 4.03Å; Q448-K464 HydrophobicContact CG-CG 4.13Å
465	Q	90.8	Very high	90.3	Very high	64 Å²	64	53.4 Å²	53.4	30%	0.299	30%	0.301	S	S	.	.			trans	-65.6	143.4	171.9	179.4	165.4	-17.6	0	0	110.8	S469 I471	Q465-S469 VanDerWaalsContact NE2-CB 3.32Å; Q465-S469 PolarHBondContact NE2-O 2.8Å; Q465-S469 PolarHBondContact NE2-OG 2.9Å; Q465-I471 PolarHBondContact NE2-O 2.84Å
466	P	89.4	Confident	90.6	Very high	28 Å²	28	48.2 Å²	48.2	18%	0.182	28%	0.276	C	S	.	.			trans	-56.3	135.3	172.7	-27.8	36	0	0	0	112.5	A443 A444 I446 L468 S469	A443-P466 HydrophobicContact CB-CG 3.98Å; A444-P466 VanDerWaalsContact O-CG 3.25Å; A444-P466 WeakPolarHBondContact O-CG 3.49Å; I446-P466 HydrophobicContact CD1-CB 4.14Å; I446-P466 HydrophobicContact CD1-CG 4.21Å; I446-P466 HydrophobicContact CG1-CG 4.15Å; P466-L468 PolarHBondContact O-N 3.06Å; P466-S469 WeakPolarHBondContact O-CB 3.44Å; P466-S469 PolarHBondContact O-N 2.76Å
467	P	80.9	Confident	91	Very high	120 Å²	120	46.9 Å²	46.9	78%	0.779	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.1	-170.1	-26.3	33	0	0	0	116.3
468	L	78.4	Confident	91.3	Very high	166 Å²	166	45.4 Å²	45.4	87%	0.869	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	5.3	-178	-62.4	173.6	0	0	0	113	P466 T470	P466-L468 PolarHBondContact O-N 3.06Å; L468-T470 PolarHBondContact O-N 2.93Å
469	S	79.3	Confident	91.5	Very high	29 Å²	29	45.2 Å²	45.2	20%	0.203	26%	0.258	C	S	.	.			trans	-77.7	112.2	178.9	177.6	0	0	0	0	109.9	Q465 P466 I471	Q465-S469 VanDerWaalsContact NE2-CB 3.32Å; Q465-S469 PolarHBondContact NE2-O 2.8Å; Q465-S469 PolarHBondContact NE2-OG 2.9Å; P466-S469 WeakPolarHBondContact O-CB 3.44Å; P466-S469 PolarHBondContact O-N 2.76Å; S469-I471 VanDerWaalsContact C-N 3.32Å
470	T	78.4	Confident	91.5	Very high	140 Å²	140	45.4 Å²	45.4	86%	0.859	26%	0.259	S	S	*	.			trans	-86.3	-3.4	172.8	55.5	0	0	0	0	113.1	L468	L468-T470 PolarHBondContact O-N 2.93Å
471	I	85.3	Confident	91.5	Very high	33 Å²	33	44.8 Å²	44.8	17%	0.169	26%	0.255	C	S	.	.	S	Bend	trans	-78.3	128.9	179.4	-56.1	-56.7	0	0	0	109.6	K440 Q465 S469 N518	K440-I471 HydrophobicContact CB-CD1 4.01Å; K440-I471 HydrophobicContact CB-CG1 4.33Å; K440-I471 WeakPolarHBondContact O-CG2 3.45Å; Q465-I471 PolarHBondContact NE2-O 2.84Å; S469-I471 VanDerWaalsContact C-N 3.32Å; I471-N518 WeakPolarHBondContact CG2-ND2 3.33Å
472	A	85.2	Confident	91.1	Very high	76 Å²	76	47.4 Å²	47.4	63%	0.628	27%	0.269	S	S	*	.			trans	-68.9	137.8	175.8	0	0	0	0	0	111.2	N518	A472-N518 WeakPolarHBondContact O-CB 3.35Å; A472-N518 PolarHBondContact O-ND2 2.86Å
473	V	91.3	Very high	90.6	Very high	36 Å²	36	47.8 Å²	47.8	22%	0.218	27%	0.273	C	S	.	.			trans	-109	127.6	176.6	-179.1	0	0	0	0	108.5	P442 G475 Y476 A516	P442-V473 HydrophobicContact CB-CG2 3.93Å; P442-V473 HydrophobicContact CG-CG2 4.13Å; V473-G475 VanDerWaalsContact CG1-O 3.25Å; V473-G475 WeakPolarHBondContact CG1-O 3.33Å; V473-Y476 HydrophobicContact CG1-CD1 4.49Å; V473-Y476 HydrophobicContact CG1-CE1 3.98Å; V473-Y476 HydrophobicContact CG1-CE2 4.04Å; V473-A516 HydrophobicContact CG1-CB 3.82Å; V473-A516 HydrophobicContact CG2-CB 4.29Å
474	E	94.3	Very high	90	Very high	100 Å²	100	53.7 Å²	53.7	47%	0.467	30%	0.304	S	S	.	.			trans	-91.8	-24.2	175.8	-67.3	171.9	-161.2	0	0	111.7	T495 F517 N518 S519	E474-T495 VanDerWaalsContact O-CG2 3.27Å; E474-T495 WeakPolarHBondContact O-CG2 3.26Å; E474-F517 HydrophobicContact CB-CD2 4.44Å; E474-F517 HydrophobicContact CB-CE2 4.26Å; E474-F517 PolarHBondContact N-O 3.36Å; E474-N518 HydrophobicContact CB-CB 4.5Å; E474-N518 HydrophobicContact CG-CB 4.05Å; E474-S519 VanDerWaalsContact OE1-CB 3.22Å; E474-S519 WeakPolarHBondContact OE1-CB 3.39Å; E474-S519 PolarHBondContact OE1-N 2.73Å; E474-S519 PolarHBondContact OE1-OG 3.39Å; E474-S519 PolarHBondContact OE2-N 3.44Å
475	G	96.2	Very high	89.5	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-175.2	173.2	0	0	0	0	0	113.8	V473 G494 A516 F517	V473-G475 VanDerWaalsContact CG1-O 3.25Å; V473-G475 WeakPolarHBondContact CG1-O 3.33Å; G475-G494 CarbonylContact C-O 3.5Å; G475-G494 WeakPolarHBondContact CA-O 3.36Å; G475-A516 CarbonylContact O-C 3.54Å; G475-A516 WeakPolarHBondContact O-CA 3.25Å; G475-F517 VanDerWaalsContact C-CD1 3.43Å; G475-F517 PolarHBondContact N-O 2.61Å; G475-F517 WeakPolarHBondContact O-CD1 3.43Å; G475-F517 PolarHBondContact O-N 2.75Å
476	Y	98.1	Very high	89.4	Confident	16 Å²	16	50.1 Å²	50.1	6%	0.063	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.8	-177.7	-57.8	-85.6	0	0	0	110.6	P445 W463 V473 V493 G494 T497 V514 K515 A516	P445-Y476 HydrophobicContact CB-CD1 4.36Å; P445-Y476 HydrophobicContact CB-CE1 4.17Å; P445-Y476 HydrophobicContact CG-CD1 3.74Å; P445-Y476 HydrophobicContact CG-CE1 3.82Å; W463-Y476 AromaticContact CD1-CD1 3.67Å; W463-Y476 AromaticContact CD1-CE1 3.79Å; W463-Y476 AromaticContact CD1-CG 3.95Å; W463-Y476 HydrophobicContact CZ2-CG 4.47Å; W463-Y476 AromaticContact NE1-CD1 3.36Å; W463-Y476 AromaticContact NE1-CD2 3.44Å; W463-Y476 AromaticContact NE1-CE1 3.83Å; W463-Y476 AromaticContact NE1-CE2 3.92Å; W463-Y476 AromaticContact NE1-CG 3.15Å; V473-Y476 HydrophobicContact CG1-CD1 4.49Å; V473-Y476 HydrophobicContact CG1-CE1 3.98Å; V473-Y476 HydrophobicContact CG1-CE2 4.04Å; Y476-V493 WeakPolarHBondContact O-CA 3.43Å; Y476-G494 PolarHBondContact N-O 2.85Å; Y476-G494 PolarHBondContact O-N 2.89Å; Y476-T497 HydrophobicContact CE2-CG2 3.98Å; Y476-V514 HydrophobicContact CD1-CG2 4.37Å; Y476-K515 CarbonylContact C-O 3.58Å; Y476-K515 VanDerWaalsContact CA-O 3.27Å; Y476-K515 WeakPolarHBondContact CA-O 3.43Å; Y476-A516 HydrophobicContact CD1-CB 3.78Å; Y476-A516 HydrophobicContact CE1-CB 3.75Å
477	I	98.3	Very high	89.5	Confident	17 Å²	17	53 Å²	53	9%	0.087	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.3	171.7	-61.5	161.3	0	0	0	107.1	E479 E490 Y492 V493 V514 K515 F517	I477-E479 HydrophobicContact CG2-CG 4.39Å; I477-E490 HydrophobicContact CG2-CB 4.42Å; I477-E490 HydrophobicContact CG2-CG 3.81Å; I477-Y492 WeakPolarHBondContact CA-O 3.38Å; I477-V493 HydrophobicContact CG1-CG1 4.09Å; I477-V493 HydrophobicContact CG1-CG2 4.11Å; I477-V493 HydrophobicContact CG2-CG2 4.36Å; I477-V514 CarbonylContact O-C 3.44Å; I477-V514 WeakPolarHBondContact O-CA 3.35Å; I477-K515 HydrophobicContact CB-CD 4.39Å; I477-K515 HydrophobicContact CB-CG 3.88Å; I477-K515 HydrophobicContact CD1-CG 4.47Å; I477-K515 PolarHBondContact N-O 2.75Å; I477-K515 PolarHBondContact O-N 3.5Å; I477-F517 HydrophobicContact CD1-CD1 3.96Å; I477-F517 HydrophobicContact CD1-CE1 4.42Å; I477-F517 HydrophobicContact CG1-CD1 3.87Å; I477-F517 HydrophobicContact CG1-CE1 4Å
478	L	97.9	Very high	90.3	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.3	174.3	170.9	66.6	0	0	0	109	L461 W463 V491 Y492 C499 V501 V514	L461-L478 HydrophobicContact CD1-CD2 4.03Å; L461-L478 HydrophobicContact CD2-CD1 4.06Å; W463-L478 HydrophobicContact CH2-CB 4.24Å; W463-L478 HydrophobicContact CH2-CD2 4.21Å; W463-L478 HydrophobicContact CZ3-CD1 4.48Å; W463-L478 HydrophobicContact CZ3-CD2 4.09Å; L478-V491 HydrophobicContact CB-CG2 4.27Å; L478-V491 HydrophobicContact CD2-CG2 3.78Å; L478-V491 HydrophobicContact CG-CG2 3.64Å; L478-V491 WeakPolarHBondContact O-CG2 3.45Å; L478-V491 PolarHBondContact O-N 2.91Å; L478-Y492 HydrophobicContact CB-CD1 4.41Å; L478-Y492 PolarHBondContact N-O 2.82Å; L478-Y492 PolarHBondContact O-N 3.31Å; L478-C499 HydrophobicContact CD2-CB 4Å; L478-V501 HydrophobicContact CD2-CG2 4.08Å; L478-V514 HydrophobicContact CD1-CB 4.39Å
479	E	97.6	Very high	91.1	Very high	11 Å²	11	50 Å²	50	5%	0.051	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.6	175.9	-72.2	172.6	-159.4	0	0	111.3	I477 F488 R489 E490 S512 R513 K515 Y525	I477-E479 HydrophobicContact CG2-CG 4.39Å; E479-F488 HydrophobicContact CB-CB 4.1Å; E479-F488 HydrophobicContact CB-CD1 4.1Å; E479-F488 HydrophobicContact CB-CG 4.5Å; E479-R489 CarbonylContact C-O 3.55Å; E479-R489 WeakPolarHBondContact CA-O 3.25Å; E479-E490 HydrophobicContact CG-CG 3.98Å; E479-S512 VanDerWaalsContact O-CA 3.29Å; E479-S512 WeakPolarHBondContact O-CA 3.27Å; E479-R513 HydrophobicContact CB-CG 4.13Å; E479-R513 PolarHBondContact N-O 2.91Å; E479-R513 PolarHBondContact O-N 2.98Å; E479-R513 IonicContact OE2-CZ 3.01Å; E479-R513 VanDerWaalsContact OE2-CZ 3.27Å; E479-R513 IonicContact OE2-NE 2.87Å; E479-R513 PolarHBondContact OE2-NE 3.05Å; E479-R513 IonicContact OE2-NH2 3.8Å; E479-R513 PolarHBondContact OE2-NH2 3.15Å; E479-K515 IonicContact OE1-NZ 2.82Å; E479-K515 PolarHBondContact OE1-NZ 3.19Å; E479-Y525 VanDerWaalsContact CD-CE1 3.49Å; E479-Y525 HydrophobicContact CG-CE1 4.43Å; E479-Y525 WeakPolarHBondContact OE1-CE1 3.39Å; E479-Y525 PolarHBondContact OE1-OH 2.83Å; E479-Y525 VanDerWaalsContact OE2-CE1 3.25Å; E479-Y525 WeakPolarHBondContact OE2-CE1 3.25Å; E479-Y525 PolarHBondContact OE2-OH 3.24Å; E479-Y525 VanDerWaalsContact OE2-OH 3.05Å
480	L	96.3	Very high	91.9	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.8	175	-139.8	95.6	0	0	0	109.4	L461 F488 R489 V491 L504 Y510 K511 M531	L461-L480 HydrophobicContact CD1-CD1 4.49Å; L480-F488 CarbonylContact O-C 3.22Å; L480-F488 WeakPolarHBondContact O-CA 3.27Å; L480-R489 PolarHBondContact N-O 2.99Å; L480-R489 PolarHBondContact O-N 2.98Å; L480-V491 HydrophobicContact CB-CG1 3.95Å; L480-V491 HydrophobicContact CB-CG2 4.2Å; L480-L504 HydrophobicContact CD2-CD1 4.32Å; L480-L504 HydrophobicContact CD2-CD2 3.63Å; L480-Y510 HydrophobicContact CD2-CD1 3.29Å; L480-Y510 HydrophobicContact CD2-CE1 3.9Å; L480-Y510 HydrophobicContact CD2-CG 3.8Å; L480-Y510 HydrophobicContact CG-CD1 4.14Å; L480-K511 WeakPolarHBondContact CA-O 3.46Å; L480-M531 HydrophobicContact CD1-CE 3.97Å
481	D	95.2	Very high	92.8	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.048	28%	0.284	C	S	.	.			trans	-78.6	-176.5	167.6	73.1	-6.3	0	0	0	111.9	G483 F488 Y510 K511	D481-G483 VanDerWaalsContact C-N 3.26Å; D481-G483 PolarHBondContact O-N 2.91Å; D481-G483 PolarHBondContact OD1-N 2.92Å; D481-F488 HydrophobicContact CB-CD1 4.44Å; D481-Y510 VanDerWaalsContact O-CD1 3.27Å; D481-Y510 WeakPolarHBondContact O-CD1 3.33Å; D481-Y510 WeakPolarHBondContact O-CE1 3.4Å; D481-Y510 VanDerWaalsContact OD1-CA 3.29Å; D481-Y510 WeakPolarHBondContact OD1-CA 3.45Å; D481-K511 PolarHBondContact N-O 3.38Å; D481-K511 PolarHBondContact OD1-N 2.81Å; D481-K511 WeakPolarHBondContact OD2-CB 3.45Å
482	D	89.6	Confident	93.4	Very high	55 Å²	55	51 Å²	51	29%	0.294	29%	0.285	S	S	.	.			trans	-84.5	7.6	-179.3	65.1	-1.7	0	0	0	114.2	N484 G485 G486 R577	D482-N484 PolarHBondContact O-N 3.31Å; D482-N484 WeakPolarHBondContact OD1-CA 3.46Å; D482-N484 PolarHBondContact OD1-N 3.39Å; D482-G485 PolarHBondContact OD1-N 2.91Å; D482-G486 WeakPolarHBondContact OD1-CA 3.42Å; D482-G486 PolarHBondContact OD1-N 3.4Å; D482-G486 WeakPolarHBondContact OD2-CA 3.2Å; D482-R577 PolarHBondContact O-NH1 3.22Å; D482-R577 PolarHBondContact O-NH2 2.98Å
483	G	88.3	Confident	93.9	Very high	8 Å²	8	51.4 Å²	51.4	8%	0.082	28%	0.279	C	S	.	.	S	Bend	trans	74	7.9	-177.3	0	0	0	0	0	114.5	D481 T509 Y510	D481-G483 VanDerWaalsContact C-N 3.26Å; D481-G483 PolarHBondContact O-N 2.91Å; D481-G483 PolarHBondContact OD1-N 2.92Å; G483-T509 CarbonylContact C-O 3.57Å; G483-T509 VanDerWaalsContact CA-O 3.24Å; G483-T509 WeakPolarHBondContact CA-O 3.29Å; G483-Y510 VanDerWaalsContact CA-CD1 3.45Å; G483-Y510 VanDerWaalsContact CA-CE1 3.43Å; G483-Y510 VanDerWaalsContact N-CD1 3.29Å
484	N	85	Confident	94.2	Very high	125 Å²	125	50.6 Å²	50.6	67%	0.668	28%	0.278	S	S	*	.	S	Bend	trans	-131.4	21.6	175.8	-161.6	31.7	0	0	0	112.1	D482 G486	D482-N484 PolarHBondContact O-N 3.31Å; D482-N484 WeakPolarHBondContact OD1-CA 3.46Å; D482-N484 PolarHBondContact OD1-N 3.39Å; N484-G486 VanDerWaalsContact C-N 3.33Å; N484-G486 PolarHBondContact O-N 3.48Å
485	G	83.7	Confident	94.3	Very high	51 Å²	51	50.4 Å²	50.4	53%	0.526	28%	0.284	S	S	.	.	S	Bend	trans	74.8	17.7	179.3	0	0	0	0	0	115	D482	D482-G485 PolarHBondContact OD1-N 2.91Å
486	G	88.4	Confident	94.3	Very high	27 Å²	27	55.4 Å²	55.4	28%	0.278	31%	0.307	S	S	.	.			trans	-73.1	-167.9	171.4	0	0	0	0	0	113.8	D482 N484	D482-G486 WeakPolarHBondContact OD1-CA 3.42Å; D482-G486 PolarHBondContact OD1-N 3.4Å; D482-G486 WeakPolarHBondContact OD2-CA 3.2Å; N484-G486 VanDerWaalsContact C-N 3.33Å; N484-G486 PolarHBondContact O-N 3.48Å
487	P	92.8	Very high	94.2	Very high	87 Å²	87	57.5 Å²	57.5	57%	0.565	32%	0.322	S	S	*	.			trans	-70.6	145.6	-176.9	29.6	-34.3	0	0	0	112.1
488	F	96.2	Very high	94.1	Very high	57 Å²	57	60.8 Å²	60.8	25%	0.25	34%	0.338	C	S	.	.			trans	-64.4	136.8	169.4	-75	-83.2	0	0	0	111.1	E479 L480 D481 K511 R513 T528	E479-F488 HydrophobicContact CB-CB 4.1Å; E479-F488 HydrophobicContact CB-CD1 4.1Å; E479-F488 HydrophobicContact CB-CG 4.5Å; L480-F488 CarbonylContact O-C 3.22Å; L480-F488 WeakPolarHBondContact O-CA 3.27Å; D481-F488 HydrophobicContact CB-CD1 4.44Å; F488-K511 HydrophobicContact CE1-CB 3.93Å; F488-K511 VanDerWaalsContact CE1-O 3.27Å; F488-K511 WeakPolarHBondContact CE1-O 3.29Å; F488-K511 HydrophobicContact CZ-CB 3.8Å; F488-R513 HydrophobicContact CD1-CG 4.06Å; F488-R513 VanDerWaalsContact CD2-CZ 3.5Å; F488-R513 HydrophobicContact CE1-CG 3.93Å; F488-R513 HydrophobicContact CZ-CG 4.46Å; F488-T528 HydrophobicContact CZ-CG2 4.31Å
489	R	95.6	Very high	94.1	Very high	166 Å²	166	61.6 Å²	61.6	63%	0.626	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	145.5	174.8	-65	-178.7	178.7	165.5	1	110	E479 L480 V491	E479-R489 CarbonylContact C-O 3.55Å; E479-R489 WeakPolarHBondContact CA-O 3.25Å; L480-R489 PolarHBondContact N-O 2.99Å; L480-R489 PolarHBondContact O-N 2.98Å; R489-V491 PolarHBondContact O-N 2.87Å
490	E	96.6	Very high	94.1	Very high	118 Å²	118	64.2 Å²	64.2	55%	0.551	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	121.9	176.6	-62.1	-178.1	165.4	0	0	109.4	I477 E479 K515	I477-E490 HydrophobicContact CG2-CB 4.42Å; I477-E490 HydrophobicContact CG2-CG 3.81Å; E479-E490 HydrophobicContact CG-CG 3.98Å; E490-K515 IonicContact OE1-NZ 2.95Å
491	V	96.2	Very high	94	Very high	60 Å²	60	64.9 Å²	64.9	36%	0.364	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-17.5	179.9	-65	0	0	0	0	112.2	L478 L480 R489 V501	L478-V491 HydrophobicContact CB-CG2 4.27Å; L478-V491 HydrophobicContact CD2-CG2 3.78Å; L478-V491 HydrophobicContact CG-CG2 3.64Å; L478-V491 WeakPolarHBondContact O-CG2 3.45Å; L478-V491 PolarHBondContact O-N 2.91Å; L480-V491 HydrophobicContact CB-CG1 3.95Å; L480-V491 HydrophobicContact CB-CG2 4.2Å; R489-V491 PolarHBondContact O-N 2.87Å; V491-V501 HydrophobicContact CB-CG1 4.42Å; V491-V501 HydrophobicContact CB-CG2 4.29Å; V491-V501 HydrophobicContact CG1-CG1 4.46Å; V491-V501 HydrophobicContact CG2-CG2 3.83Å
492	Y	97.6	Very high	93.9	Very high	47 Å²	47	69.9 Å²	69.9	18%	0.184	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	140	174.4	169.1	-90.8	0	0	0	111.8	W463 I477 L478 G494 T495 E496 C499	W463-Y492 HydrophobicContact CH2-CD1 4.03Å; W463-Y492 HydrophobicContact CH2-CE1 4.27Å; W463-Y492 HydrophobicContact CZ2-CD1 4.08Å; W463-Y492 AromaticContact CZ2-CE1 3.97Å; W463-Y492 HydrophobicContact CZ2-CE1 3.97Å; I477-Y492 WeakPolarHBondContact CA-O 3.38Å; L478-Y492 HydrophobicContact CB-CD1 4.41Å; L478-Y492 PolarHBondContact N-O 2.82Å; L478-Y492 PolarHBondContact O-N 3.31Å; Y492-G494 VanDerWaalsContact OH-CA 3.26Å; Y492-G494 WeakPolarHBondContact OH-CA 3.2Å; Y492-T495 PolarHBondContact OH-N 3.02Å; Y492-E496 WeakPolarHBondContact OH-CA 3.46Å; Y492-E496 WeakPolarHBondContact OH-CB 3.49Å; Y492-E496 WeakPolarHBondContact OH-CG 3.43Å; Y492-E496 PolarHBondContact OH-N 3.5Å; Y492-C499 VanDerWaalsContact CB-SG 3.57Å; Y492-C499 HydrophobicContact CD1-CB 4.45Å; Y492-C499 HydrophobicContact CD2-CB 4.34Å; Y492-C499 HydrophobicContact CG-CB 4.14Å
493	V	97.3	Very high	93.8	Very high	83 Å²	83	70 Å²	70	50%	0.503	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	118	171.4	-174.7	0	0	0	0	108.5	Y476 I477 F517	Y476-V493 WeakPolarHBondContact O-CA 3.43Å; I477-V493 HydrophobicContact CG1-CG1 4.09Å; I477-V493 HydrophobicContact CG1-CG2 4.11Å; I477-V493 HydrophobicContact CG2-CG2 4.36Å; V493-F517 HydrophobicContact CG1-CE1 4.06Å; V493-F517 HydrophobicContact CG1-CZ 4.31Å
494	G	96.2	Very high	94	Very high	19 Å²	19	70.4 Å²	70.4	20%	0.196	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-173.3	-179.6	0	0	0	0	0	114.1	G475 Y476 Y492	G475-G494 CarbonylContact C-O 3.5Å; G475-G494 WeakPolarHBondContact CA-O 3.36Å; Y476-G494 PolarHBondContact N-O 2.85Å; Y476-G494 PolarHBondContact O-N 2.89Å; Y492-G494 VanDerWaalsContact OH-CA 3.26Å; Y492-G494 WeakPolarHBondContact OH-CA 3.2Å
495	T	96.3	Very high	94.3	Very high	96 Å²	96	67.3 Å²	67.3	59%	0.589	39%	0.388	S	S	*	.	S	Bend	trans	-87.1	-17.9	-174.5	47.1	0	0	0	0	114.5	E474 Y492	E474-T495 VanDerWaalsContact O-CG2 3.27Å; E474-T495 WeakPolarHBondContact O-CG2 3.26Å; Y492-T495 PolarHBondContact OH-N 3.02Å
496	E	96.8	Very high	94.6	Very high	107 Å²	107	65.4 Å²	65.4	50%	0.5	37%	0.365	S	S	.	.			trans	-68	149.1	-176.2	-55.5	-58.2	131.1	0	0	110.8	W463 Y492	W463-E496 WeakPolarHBondContact CZ2-O 3.27Å; Y492-E496 WeakPolarHBondContact OH-CA 3.46Å; Y492-E496 WeakPolarHBondContact OH-CB 3.49Å; Y492-E496 WeakPolarHBondContact OH-CG 3.43Å; Y492-E496 PolarHBondContact OH-N 3.5Å
497	T	96.6	Very high	94.7	Very high	59 Å²	59	68.6 Å²	68.6	36%	0.362	38%	0.376	S	S	.	.	S	Bend	trans	-99.3	1.6	-179.9	46.1	0	0	0	0	113.2	S462 W463 Y476	S462-T497 CarbonylContact C-O 3.48Å; S462-T497 WeakPolarHBondContact CA-O 3.29Å; W463-T497 PolarHBondContact N-O 2.82Å; W463-T497 WeakPolarHBondContact O-CB 3.4Å; W463-T497 WeakPolarHBondContact O-CG2 3.22Å; Y476-T497 HydrophobicContact CE2-CG2 3.98Å
498	I	96.9	Very high	94.6	Very high	86 Å²	86	64.8 Å²	64.8	44%	0.441	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.2	177.7	-170.1	169	0	0	0	109.2	T460 L461	T460-I498 HydrophobicContact CG2-CD1 3.99Å; T460-I498 HydrophobicContact CG2-CG1 3.94Å; L461-I498 CarbonylContact O-C 3.59Å; L461-I498 VanDerWaalsContact O-CA 3.29Å; L461-I498 WeakPolarHBondContact O-CA 3.47Å
499	C	97.1	Very high	94.4	Very high	17 Å²	17	65.1 Å²	65.1	12%	0.115	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.3	178.7	177.5	0	0	0	0	110.7	T460 L461 W463 L478 Y492	T460-C499 WeakPolarHBondContact CA-O 3.49Å; L461-C499 PolarHBondContact N-O 3.33Å; L461-C499 PolarHBondContact O-N 2.82Å; W463-C499 HydrophobicContact CH2-CB 3.61Å; W463-C499 HydrophobicContact CZ3-CB 3.99Å; L478-C499 HydrophobicContact CD2-CB 4Å; Y492-C499 VanDerWaalsContact CB-SG 3.57Å; Y492-C499 HydrophobicContact CD1-CB 4.45Å; Y492-C499 HydrophobicContact CD2-CB 4.34Å; Y492-C499 HydrophobicContact CG-CB 4.14Å
500	T	96.7	Very high	94.4	Very high	67 Å²	67	57.7 Å²	57.7	41%	0.411	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.9	170.1	-57.1	0	0	0	0	109.3	A459 T460	A459-T500 CarbonylContact O-C 3.49Å; A459-T500 WeakPolarHBondContact O-CA 3.19Å; T460-T500 PolarHBondContact OG1-OG1 3.04Å
501	V	95.5	Very high	94.3	Very high	18 Å²	18	56.1 Å²	56.1	11%	0.109	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	111.2	174.9	-173.1	0	0	0	0	107.8	S458 A459 L461 L478 V491 L504	S458-V501 CarbonylContact C-O 3.59Å; S458-V501 WeakPolarHBondContact CA-O 3.38Å; S458-V501 WeakPolarHBondContact CB-O 3.24Å; A459-V501 PolarHBondContact N-O 2.84Å; A459-V501 PolarHBondContact O-N 3.38Å; L461-V501 HydrophobicContact CD1-CG2 4.31Å; L478-V501 HydrophobicContact CD2-CG2 4.08Å; V491-V501 HydrophobicContact CB-CG1 4.42Å; V491-V501 HydrophobicContact CB-CG2 4.29Å; V491-V501 HydrophobicContact CG1-CG1 4.46Å; V491-V501 HydrophobicContact CG2-CG2 3.83Å; V501-L504 HydrophobicContact CG1-CD2 3.87Å; V501-L504 HydrophobicContact CG1-CG 4.46Å
502	D	91.8	Very high	94.4	Very high	114 Å²	114	53.2 Å²	53.2	61%	0.61	30%	0.304	S	S	*	.			trans	-95.3	166.1	178.8	-64.5	-56.9	0	0	0	112.3	S458	S458-D502 WeakPolarHBondContact CB-OD1 3.41Å
503	G	88.8	Confident	94.4	Very high	58 Å²	58	53.9 Å²	53.9	60%	0.598	31%	0.306	S	S	*	.	S	Bend	trans	75.8	23.4	173	0	0	0	0	0	114.5	N457	N457-G503 PolarHBondContact O-N 3.48Å
504	L	92.1	Very high	94.4	Very high	17 Å²	17	50 Å²	50	9%	0.089	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-69.7	160.3	174.6	-57	178.9	0	0	0	110.9	N457 A459 L480 V501 Y510 T533	N457-L504 VanDerWaalsContact CB-O 3.29Å; N457-L504 WeakPolarHBondContact CB-O 3.14Å; N457-L504 VanDerWaalsContact O-CB 3.27Å; N457-L504 WeakPolarHBondContact O-CB 3.5Å; N457-L504 PolarHBondContact O-N 2.87Å; A459-L504 HydrophobicContact CB-CD1 3.69Å; L480-L504 HydrophobicContact CD2-CD1 4.32Å; L480-L504 HydrophobicContact CD2-CD2 3.63Å; V501-L504 HydrophobicContact CG1-CD2 3.87Å; V501-L504 HydrophobicContact CG1-CG 4.46Å; L504-Y510 HydrophobicContact CB-CD2 4.49Å; L504-Y510 HydrophobicContact CB-CE2 3.76Å; L504-Y510 HydrophobicContact CD1-CD2 4.27Å; L504-Y510 HydrophobicContact CD1-CE2 4.34Å; L504-Y510 HydrophobicContact CD2-CD1 4.44Å; L504-Y510 HydrophobicContact CD2-CE1 3.99Å; L504-Y510 HydrophobicContact CD2-CE2 4.38Å; L504-Y510 HydrophobicContact CG-CE2 4.39Å; L504-T533 HydrophobicContact CB-CG2 3.9Å; L504-T533 HydrophobicContact CD1-CG2 4.11Å
505	H	90.9	Very high	94.4	Very high	60 Å²	60	50 Å²	50	28%	0.278	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74.4	137.5	172.6	-62.9	-52.4	0	0	0	110	S508 Y510 T533 S576 R577	H505-S508 WeakPolarHBondContact CB-OG 3.27Å; H505-S508 WeakPolarHBondContact O-CB 3.48Å; H505-S508 PolarHBondContact O-OG 2.84Å; H505-Y510 WeakPolarHBondContact CB-OH 3.27Å; H505-Y510 PolarHBondContact CD2-OH 3.19Å; H505-Y510 VanDerWaalsContact CD2-OH 3.3Å; H505-Y510 PolarHBondContact N-OH 3.36Å; H505-T533 PolarHBondContact O-OG1 3.19Å; H505-S576 PolarHBondContact CE1-OG 3.24Å; H505-S576 PolarHBondContact ND1-OG 2.97Å; H505-R577 VanDerWaalsContact CB-NH2 3.34Å; H505-R577 VanDerWaalsContact CD2-CZ 3.46Å; H505-R577 PolarHBondContact CD2-NH2 2.96Å
506	F	90.8	Very high	94.5	Very high	10 Å²	10	45.5 Å²	45.5	4%	0.044	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	159.1	172.1	-67.8	-83.5	0	0	0	112.2	N456 N457 S508 A537 A573 F575	N456-F506 VanDerWaalsContact OD1-CE1 3.3Å; N456-F506 WeakPolarHBondContact OD1-CE1 3.2Å; N457-F506 HydrophobicContact CB-CD1 4.2Å; N457-F506 HydrophobicContact CB-CD2 4.34Å; N457-F506 HydrophobicContact CB-CE1 3.69Å; N457-F506 HydrophobicContact CB-CE2 3.85Å; N457-F506 HydrophobicContact CB-CZ 3.52Å; F506-S508 PolarHBondContact O-N 3.33Å; F506-S508 PolarHBondContact O-OG 2.9Å; F506-A537 HydrophobicContact CD1-CB 4.02Å; F506-A537 HydrophobicContact CD2-CB 4.15Å; F506-A537 HydrophobicContact CE1-CB 3.89Å; F506-A537 HydrophobicContact CE2-CB 4.03Å; F506-A537 HydrophobicContact CG-CB 4.14Å; F506-A537 HydrophobicContact CZ-CB 3.87Å; F506-A573 HydrophobicContact CE2-CB 4.32Å; F506-A573 HydrophobicContact CZ-CB 4.47Å; F506-F575 AromaticContact CD2-CD1 3.86Å; F506-F575 HydrophobicContact CD2-CD1 3.86Å; F506-F575 AromaticContact CD2-CE1 3.63Å; F506-F575 HydrophobicContact CD2-CE1 3.63Å; F506-F575 HydrophobicContact CE2-CD1 4.01Å; F506-F575 AromaticContact CE2-CE1 3.48Å; F506-F575 HydrophobicContact CE2-CE1 3.48Å; F506-F575 VanDerWaalsContact CE2-CE1 3.48Å; F506-F575 HydrophobicContact CZ-CE1 4.36Å
507	N	89.2	Confident	94.4	Very high	94 Å²	94	42.6 Å²	42.6	50%	0.503	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.2	38.9	-179.3	-163.7	22.5	0	0	0	113.9	T533 S534	N507-T533 PolarHBondContact N-OG1 3.42Å; N507-T533 VanDerWaalsContact N-OG1 3.13Å; N507-S534 PolarHBondContact N-O 2.85Å
508	S	90.6	Very high	94.2	Very high	8 Å²	8	40.6 Å²	40.6	6%	0.056	22%	0.223	C	C	.	.			trans	-121.8	147.3	-174.7	-61.4	0	0	0	0	110.3	H505 F506 Q532 T533 R577	H505-S508 WeakPolarHBondContact CB-OG 3.27Å; H505-S508 WeakPolarHBondContact O-CB 3.48Å; H505-S508 PolarHBondContact O-OG 2.84Å; F506-S508 PolarHBondContact O-N 3.33Å; F506-S508 PolarHBondContact O-OG 2.9Å; S508-Q532 WeakPolarHBondContact O-CA 3.4Å; S508-T533 PolarHBondContact N-OG1 3.23Å; S508-T533 PolarHBondContact O-N 2.79Å; S508-T533 VanDerWaalsContact O-N 3.12Å; S508-T533 PolarHBondContact O-OG1 2.8Å; S508-R577 VanDerWaalsContact CB-NH2 3.31Å; S508-R577 PolarHBondContact OG-NE 2.99Å; S508-R577 PolarHBondContact OG-NH2 2.92Å
509	T	92.9	Very high	93.8	Very high	64 Å²	64	41.5 Å²	41.5	39%	0.393	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112.1	179.5	-59.8	0	0	0	0	109.6	G483 I530 M531	G483-T509 CarbonylContact C-O 3.57Å; G483-T509 VanDerWaalsContact CA-O 3.24Å; G483-T509 WeakPolarHBondContact CA-O 3.29Å; T509-I530 HydrophobicContact CG2-CG2 3.34Å; T509-M531 CarbonylContact C-O 3.6Å; T509-M531 WeakPolarHBondContact CA-O 3.24Å
510	Y	95	Very high	93.2	Very high	9 Å²	9	42.5 Å²	42.5	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	140.2	-179.4	-73.7	-87.4	0	0	0	111.7	L480 D481 G483 L504 H505 I530 M531 T533	L480-Y510 HydrophobicContact CD2-CD1 3.29Å; L480-Y510 HydrophobicContact CD2-CE1 3.9Å; L480-Y510 HydrophobicContact CD2-CG 3.8Å; L480-Y510 HydrophobicContact CG-CD1 4.14Å; D481-Y510 VanDerWaalsContact O-CD1 3.27Å; D481-Y510 WeakPolarHBondContact O-CD1 3.33Å; D481-Y510 WeakPolarHBondContact O-CE1 3.4Å; D481-Y510 VanDerWaalsContact OD1-CA 3.29Å; D481-Y510 WeakPolarHBondContact OD1-CA 3.45Å; G483-Y510 VanDerWaalsContact CA-CD1 3.45Å; G483-Y510 VanDerWaalsContact CA-CE1 3.43Å; G483-Y510 VanDerWaalsContact N-CD1 3.29Å; L504-Y510 HydrophobicContact CB-CD2 4.49Å; L504-Y510 HydrophobicContact CB-CE2 3.76Å; L504-Y510 HydrophobicContact CD1-CD2 4.27Å; L504-Y510 HydrophobicContact CD1-CE2 4.34Å; L504-Y510 HydrophobicContact CD2-CD1 4.44Å; L504-Y510 HydrophobicContact CD2-CE1 3.99Å; L504-Y510 HydrophobicContact CD2-CE2 4.38Å; L504-Y510 HydrophobicContact CG-CE2 4.39Å; H505-Y510 WeakPolarHBondContact CB-OH 3.27Å; H505-Y510 PolarHBondContact CD2-OH 3.19Å; H505-Y510 VanDerWaalsContact CD2-OH 3.3Å; H505-Y510 PolarHBondContact N-OH 3.36Å; Y510-I530 CarbonylContact O-C 3.54Å; Y510-I530 WeakPolarHBondContact O-CA 3.42Å; Y510-M531 PolarHBondContact N-O 2.85Å; Y510-M531 PolarHBondContact O-N 3.3Å; Y510-T533 HydrophobicContact CD2-CG2 4.02Å; Y510-T533 HydrophobicContact CE2-CG2 3.97Å
511	K	96.2	Very high	92.8	Very high	85 Å²	85	40.6 Å²	40.6	37%	0.37	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.4	169	-63.4	175.4	-173.3	164.6	0	109	L480 D481 F488 T528 L529 I530	L480-K511 WeakPolarHBondContact CA-O 3.46Å; D481-K511 PolarHBondContact N-O 3.38Å; D481-K511 PolarHBondContact OD1-N 2.81Å; D481-K511 WeakPolarHBondContact OD2-CB 3.45Å; F488-K511 HydrophobicContact CE1-CB 3.93Å; F488-K511 VanDerWaalsContact CE1-O 3.27Å; F488-K511 WeakPolarHBondContact CE1-O 3.29Å; F488-K511 HydrophobicContact CZ-CB 3.8Å; K511-T528 HydrophobicContact CB-CG2 3.79Å; K511-T528 HydrophobicContact CG-CG2 4.28Å; K511-L529 CarbonylContact C-O 3.48Å; K511-L529 WeakPolarHBondContact CA-O 3.08Å; K511-I530 HydrophobicContact CG-CG1 4.32Å
512	S	96.6	Very high	92.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.9	179.9	66	0	0	0	0	112.2	L461 E479 T528 L529	L461-S512 VanDerWaalsContact CD2-CB 3.44Å; L461-S512 WeakPolarHBondContact CD2-OG 3.47Å; E479-S512 VanDerWaalsContact O-CA 3.29Å; E479-S512 WeakPolarHBondContact O-CA 3.27Å; S512-T528 CarbonylContact O-C 3.32Å; S512-T528 VanDerWaalsContact O-CA 3.24Å; S512-T528 WeakPolarHBondContact O-CA 3.38Å; S512-L529 PolarHBondContact N-O 2.86Å; S512-L529 PolarHBondContact O-N 2.84Å; S512-L529 WeakPolarHBondContact OG-CB 3.35Å; S512-L529 PolarHBondContact OG-O 3.39Å
513	R	97.4	Very high	92.8	Very high	61 Å²	61	38.3 Å²	38.3	23%	0.23	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	148.7	175.3	60.4	-175.7	-172.1	-175.9	1.9	110.5	E479 F488 Y525	E479-R513 HydrophobicContact CB-CG 4.13Å; E479-R513 PolarHBondContact N-O 2.91Å; E479-R513 PolarHBondContact O-N 2.98Å; E479-R513 IonicContact OE2-CZ 3.01Å; E479-R513 VanDerWaalsContact OE2-CZ 3.27Å; E479-R513 IonicContact OE2-NE 2.87Å; E479-R513 PolarHBondContact OE2-NE 3.05Å; E479-R513 IonicContact OE2-NH2 3.8Å; E479-R513 PolarHBondContact OE2-NH2 3.15Å; F488-R513 HydrophobicContact CD1-CG 4.06Å; F488-R513 VanDerWaalsContact CD2-CZ 3.5Å; F488-R513 HydrophobicContact CE1-CG 3.93Å; F488-R513 HydrophobicContact CZ-CG 4.46Å; R513-Y525 HydrophobicContact CB-CD1 4.03Å; R513-Y525 VanDerWaalsContact CD-CD1 3.44Å; R513-Y525 HydrophobicContact CG-CD1 3.53Å; R513-Y525 HydrophobicContact CG-CE1 3.86Å; R513-Y525 HydrophobicContact CG-CG 4.31Å; R513-Y525 VanDerWaalsContact NE-CE1 3.32Å
514	V	98	Very high	93.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143	-179.3	61.9	0	0	0	0	110.7	P445 L447 W463 Y476 I477 L478 Y525 S526	P445-V514 HydrophobicContact CB-CG1 3.87Å; P445-V514 HydrophobicContact CG-CG1 4.11Å; P445-V514 HydrophobicContact CG-CG2 4.32Å; L447-V514 HydrophobicContact CD2-CG1 3.99Å; L447-V514 HydrophobicContact CG-CG1 4.39Å; W463-V514 HydrophobicContact CB-CG1 4.02Å; W463-V514 HydrophobicContact CD2-CB 4.4Å; W463-V514 HydrophobicContact CD2-CG1 4.28Å; W463-V514 HydrophobicContact CD2-CG2 3.88Å; W463-V514 HydrophobicContact CE3-CG2 4.38Å; W463-V514 HydrophobicContact CG-CG1 4.03Å; W463-V514 HydrophobicContact CG-CG2 4.13Å; W463-V514 HydrophobicContact CZ2-CG2 4.22Å; Y476-V514 HydrophobicContact CD1-CG2 4.37Å; I477-V514 CarbonylContact O-C 3.44Å; I477-V514 WeakPolarHBondContact O-CA 3.35Å; L478-V514 HydrophobicContact CD1-CB 4.39Å; V514-Y525 CarbonylContact O-C 3.57Å; V514-Y525 WeakPolarHBondContact O-CA 3.43Å; V514-S526 PolarHBondContact N-OG 3.4Å; V514-S526 WeakPolarHBondContact O-CB 3.35Å; V514-S526 PolarHBondContact O-N 3.11Å; V514-S526 PolarHBondContact O-OG 3Å
515	K	97.3	Very high	93.4	Very high	21 Å²	21	45.8 Å²	45.8	9%	0.091	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.2	173	66.4	-164.2	-179.4	-154.8	0	109.7	Y476 I477 E479 E490 V522 Y525	Y476-K515 CarbonylContact C-O 3.58Å; Y476-K515 VanDerWaalsContact CA-O 3.27Å; Y476-K515 WeakPolarHBondContact CA-O 3.43Å; I477-K515 HydrophobicContact CB-CD 4.39Å; I477-K515 HydrophobicContact CB-CG 3.88Å; I477-K515 HydrophobicContact CD1-CG 4.47Å; I477-K515 PolarHBondContact N-O 2.75Å; I477-K515 PolarHBondContact O-N 3.5Å; E479-K515 IonicContact OE1-NZ 2.82Å; E479-K515 PolarHBondContact OE1-NZ 3.19Å; E490-K515 IonicContact OE1-NZ 2.95Å; K515-V522 HydrophobicContact CB-CG1 4.29Å; K515-V522 HydrophobicContact CD-CG1 3.39Å; K515-V522 HydrophobicContact CG-CG1 3.68Å; K515-Y525 HydrophobicContact CB-CD1 3.96Å; K515-Y525 HydrophobicContact CB-CE1 4.28Å; K515-Y525 HydrophobicContact CB-CG 4.38Å; K515-Y525 HydrophobicContact CD-CD1 4.08Å; K515-Y525 HydrophobicContact CD-CE1 3.51Å; K515-Y525 HydrophobicContact CD-CE2 4.22Å; K515-Y525 HydrophobicContact CG-CD1 4.34Å; K515-Y525 HydrophobicContact CG-CE1 4.16Å; K515-Y525 PolarHBondContact NZ-OH 3.5Å
516	A	96.7	Very high	93.7	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	151.8	174.8	0	0	0	0	0	110.7	P442 P445 V473 G475 Y476 G523	P442-A516 HydrophobicContact CB-CB 3.51Å; P442-A516 HydrophobicContact CG-CB 4.12Å; P445-A516 HydrophobicContact CG-CB 3.92Å; V473-A516 HydrophobicContact CG1-CB 3.82Å; V473-A516 HydrophobicContact CG2-CB 4.29Å; G475-A516 CarbonylContact O-C 3.54Å; G475-A516 WeakPolarHBondContact O-CA 3.25Å; Y476-A516 HydrophobicContact CD1-CB 3.78Å; Y476-A516 HydrophobicContact CE1-CB 3.75Å; A516-G523 PolarHBondContact O-N 3.41Å
517	F	95.2	Very high	93.9	Very high	46 Å²	46	52.1 Å²	52.1	20%	0.202	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.6	175.7	69.6	-92.5	0	0	0	112.1	E474 G475 I477 V493 G521 V522	E474-F517 HydrophobicContact CB-CD2 4.44Å; E474-F517 HydrophobicContact CB-CE2 4.26Å; E474-F517 PolarHBondContact N-O 3.36Å; G475-F517 VanDerWaalsContact C-CD1 3.43Å; G475-F517 PolarHBondContact N-O 2.61Å; G475-F517 WeakPolarHBondContact O-CD1 3.43Å; G475-F517 PolarHBondContact O-N 2.75Å; I477-F517 HydrophobicContact CD1-CD1 3.96Å; I477-F517 HydrophobicContact CD1-CE1 4.42Å; I477-F517 HydrophobicContact CG1-CD1 3.87Å; I477-F517 HydrophobicContact CG1-CE1 4Å; V493-F517 HydrophobicContact CG1-CE1 4.06Å; V493-F517 HydrophobicContact CG1-CZ 4.31Å; F517-G521 WeakPolarHBondContact CA-O 3.45Å; F517-V522 HydrophobicContact CB-CB 4.46Å; F517-V522 HydrophobicContact CB-CG1 4.48Å; F517-V522 HydrophobicContact CB-CG2 4.1Å
518	N	92.8	Very high	94.2	Very high	17 Å²	17	51.1 Å²	51.1	9%	0.091	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	-176	168.5	66.7	12.9	0	0	0	109.6	K440 P442 I471 A472 E474 S520 G521	K440-N518 PolarHBondContact O-ND2 2.92Å; P442-N518 HydrophobicContact CG-CB 4.06Å; I471-N518 WeakPolarHBondContact CG2-ND2 3.33Å; A472-N518 WeakPolarHBondContact O-CB 3.35Å; A472-N518 PolarHBondContact O-ND2 2.86Å; E474-N518 HydrophobicContact CB-CB 4.5Å; E474-N518 HydrophobicContact CG-CB 4.05Å; N518-S520 PolarHBondContact O-N 3.01Å; N518-S520 WeakPolarHBondContact OD1-CA 3.36Å; N518-S520 VanDerWaalsContact OD1-CB 3.23Å; N518-S520 WeakPolarHBondContact OD1-CB 3.26Å; N518-S520 PolarHBondContact OD1-N 3.31Å; N518-G521 PolarHBondContact N-O 3.16Å; N518-G521 PolarHBondContact O-N 2.92Å; N518-G521 PolarHBondContact OD1-N 3.35Å
519	S	87.8	Confident	94.4	Very high	104 Å²	104	52.2 Å²	52.2	73%	0.727	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.9	175.5	40	0	0	0	0	115.2	E474	E474-S519 VanDerWaalsContact OE1-CB 3.22Å; E474-S519 WeakPolarHBondContact OE1-CB 3.39Å; E474-S519 PolarHBondContact OE1-N 2.73Å; E474-S519 PolarHBondContact OE1-OG 3.39Å; E474-S519 PolarHBondContact OE2-N 3.44Å
520	S	84.6	Confident	94.5	Very high	38 Å²	38	54.3 Å²	54.3	27%	0.266	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14	174.3	-55	0	0	0	0	113.4	M439 N518	M439-S520 VanDerWaalsContact CA-OG 3.28Å; M439-S520 WeakPolarHBondContact CA-OG 3.38Å; N518-S520 PolarHBondContact O-N 3.01Å; N518-S520 WeakPolarHBondContact OD1-CA 3.36Å; N518-S520 VanDerWaalsContact OD1-CB 3.23Å; N518-S520 WeakPolarHBondContact OD1-CB 3.26Å; N518-S520 PolarHBondContact OD1-N 3.31Å
521	G	89.3	Confident	94.5	Very high	27 Å²	27	54.6 Å²	54.6	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.3	-161.7	177.1	0	0	0	0	0	113.8	F517 N518	F517-G521 WeakPolarHBondContact CA-O 3.45Å; N518-G521 PolarHBondContact N-O 3.16Å; N518-G521 PolarHBondContact O-N 2.92Å; N518-G521 PolarHBondContact OD1-N 3.35Å
522	V	93.5	Very high	94.3	Very high	74 Å²	74	55.2 Å²	55.2	45%	0.448	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.2	-173.8	-170.7	0	0	0	0	110.6	K515 F517	K515-V522 HydrophobicContact CB-CG1 4.29Å; K515-V522 HydrophobicContact CD-CG1 3.39Å; K515-V522 HydrophobicContact CG-CG1 3.68Å; F517-V522 HydrophobicContact CB-CB 4.46Å; F517-V522 HydrophobicContact CB-CG1 4.48Å; F517-V522 HydrophobicContact CB-CG2 4.1Å
523	G	93.4	Very high	94.2	Very high	10 Å²	10	55.5 Å²	55.5	10%	0.103	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-177.8	177.3	0	0	0	0	0	114	P442 A516	P442-G523 WeakPolarHBondContact O-CA 3.34Å; A516-G523 PolarHBondContact O-N 3.41Å
524	Q	95.7	Very high	93.8	Very high	153 Å²	153	54.2 Å²	54.2	72%	0.715	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	155	174.4	-68.4	-179.1	-4.2	0	0	111.6	A444	A444-Q524 WeakPolarHBondContact CA-O 3.29Å; A444-Q524 HydrophobicContact CB-CB 4.15Å; A444-Q524 WeakPolarHBondContact CB-O 3.27Å
525	Y	97.1	Very high	93.3	Very high	80 Å²	80	61 Å²	61	31%	0.314	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	148.8	171.9	-69.8	-83.4	0	0	0	111.7	A444 E479 R513 V514 K515	A444-Y525 WeakPolarHBondContact CB-O 3.19Å; E479-Y525 VanDerWaalsContact CD-CE1 3.49Å; E479-Y525 HydrophobicContact CG-CE1 4.43Å; E479-Y525 WeakPolarHBondContact OE1-CE1 3.39Å; E479-Y525 PolarHBondContact OE1-OH 2.83Å; E479-Y525 VanDerWaalsContact OE2-CE1 3.25Å; E479-Y525 WeakPolarHBondContact OE2-CE1 3.25Å; E479-Y525 PolarHBondContact OE2-OH 3.24Å; E479-Y525 VanDerWaalsContact OE2-OH 3.05Å; R513-Y525 HydrophobicContact CB-CD1 4.03Å; R513-Y525 VanDerWaalsContact CD-CD1 3.44Å; R513-Y525 HydrophobicContact CG-CD1 3.53Å; R513-Y525 HydrophobicContact CG-CE1 3.86Å; R513-Y525 HydrophobicContact CG-CG 4.31Å; R513-Y525 VanDerWaalsContact NE-CE1 3.32Å; V514-Y525 CarbonylContact O-C 3.57Å; V514-Y525 WeakPolarHBondContact O-CA 3.43Å; K515-Y525 HydrophobicContact CB-CD1 3.96Å; K515-Y525 HydrophobicContact CB-CE1 4.28Å; K515-Y525 HydrophobicContact CB-CG 4.38Å; K515-Y525 HydrophobicContact CD-CD1 4.08Å; K515-Y525 HydrophobicContact CD-CE1 3.51Å; K515-Y525 HydrophobicContact CD-CE2 4.22Å; K515-Y525 HydrophobicContact CG-CD1 4.34Å; K515-Y525 HydrophobicContact CG-CE1 4.16Å; K515-Y525 PolarHBondContact NZ-OH 3.5Å
526	S	97.3	Very high	92.8	Very high	12 Å²	12	62.9 Å²	62.9	8%	0.084	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-57.6	170.4	162.7	72	0	0	0	0	111	P445 V514	P445-S526 WeakPolarHBondContact O-CB 3.45Å; V514-S526 PolarHBondContact N-OG 3.4Å; V514-S526 WeakPolarHBondContact O-CB 3.35Å; V514-S526 PolarHBondContact O-N 3.11Å; V514-S526 PolarHBondContact O-OG 3Å
527	K	94.9	Very high	92.6	Very high	190 Å²	190	63.3 Å²	63.3	83%	0.826	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-56.6	145.5	161.7	-68.2	-174.6	178.7	179.5	0	109.6	L447 L529	L447-K527 VanDerWaalsContact CD1-O 3.27Å; L447-K527 WeakPolarHBondContact CD1-O 3.48Å; K527-L529 PolarHBondContact O-N 2.8Å
528	T	96.1	Very high	92.5	Very high	74 Å²	74	68.2 Å²	68.2	45%	0.454	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-72.5	126.7	173.8	-57.2	0	0	0	0	109.6	F488 K511 S512	F488-T528 HydrophobicContact CZ-CG2 4.31Å; K511-T528 HydrophobicContact CB-CG2 3.79Å; K511-T528 HydrophobicContact CG-CG2 4.28Å; S512-T528 CarbonylContact O-C 3.32Å; S512-T528 VanDerWaalsContact O-CA 3.24Å; S512-T528 WeakPolarHBondContact O-CA 3.38Å
529	L	95.6	Very high	92.6	Very high	30 Å²	30	67.9 Å²	67.9	16%	0.157	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.6	171	172.2	64.9	0	0	0	109	L447 L449 C452 L461 K511 S512 K527 M531	L447-L529 HydrophobicContact CD1-CB 3.68Å; L447-L529 HydrophobicContact CD1-CD2 4.49Å; L449-L529 HydrophobicContact CD2-CD1 3.72Å; L449-L529 HydrophobicContact CD2-CD2 4.31Å; C452-L529 HydrophobicContact CB-CD2 3.89Å; L461-L529 HydrophobicContact CD2-CD2 4.27Å; K511-L529 CarbonylContact C-O 3.48Å; K511-L529 WeakPolarHBondContact CA-O 3.08Å; S512-L529 PolarHBondContact N-O 2.86Å; S512-L529 PolarHBondContact O-N 2.84Å; S512-L529 WeakPolarHBondContact OG-CB 3.35Å; S512-L529 PolarHBondContact OG-O 3.39Å; K527-L529 PolarHBondContact O-N 2.8Å; L529-M531 HydrophobicContact CD2-CG 4Å; L529-M531 HydrophobicContact CD2-SD 3.9Å; L529-M531 HydrophobicContact CG-CG 3.85Å; L529-M531 HydrophobicContact CG-SD 4.34Å
530	I	95.1	Very high	93	Very high	108 Å²	108	64.9 Å²	64.9	55%	0.554	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.6	176.8	-55.8	-178.1	0	0	0	107.2	T509 Y510 K511	T509-I530 HydrophobicContact CG2-CG2 3.34Å; Y510-I530 CarbonylContact O-C 3.54Å; Y510-I530 WeakPolarHBondContact O-CA 3.42Å; K511-I530 HydrophobicContact CG-CG1 4.32Å
531	M	93.4	Very high	93.6	Very high	16 Å²	16	63.1 Å²	63.1	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.5	-177.1	-59.9	-179.5	-57.1	0	0	109.4	T454 A459 L461 L480 T509 Y510 L529	T454-M531 HydrophobicContact CG2-CB 3.7Å; T454-M531 HydrophobicContact CG2-CG 4.41Å; T454-M531 HydrophobicContact CG2-SD 4.47Å; A459-M531 HydrophobicContact CB-CE 3.64Å; A459-M531 HydrophobicContact CB-SD 4.03Å; L461-M531 HydrophobicContact CD1-CE 4Å; L461-M531 HydrophobicContact CD1-SD 4.39Å; L461-M531 HydrophobicContact CD2-CE 3.84Å; L461-M531 HydrophobicContact CD2-SD 3.95Å; L461-M531 HydrophobicContact CG-CE 4.11Å; L461-M531 HydrophobicContact CG-SD 3.98Å; L480-M531 HydrophobicContact CD1-CE 3.97Å; T509-M531 CarbonylContact C-O 3.6Å; T509-M531 WeakPolarHBondContact CA-O 3.24Å; Y510-M531 PolarHBondContact N-O 2.85Å; Y510-M531 PolarHBondContact O-N 3.3Å; L529-M531 HydrophobicContact CD2-CG 4Å; L529-M531 HydrophobicContact CD2-SD 3.9Å; L529-M531 HydrophobicContact CG-CG 3.85Å; L529-M531 HydrophobicContact CG-SD 4.34Å
532	Q	93.2	Very high	93.9	Very high	98 Å²	98	63.8 Å²	63.8	46%	0.458	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.1	178.7	-175.2	172.8	2.3	0	0	109.5	T454 S508	T454-Q532 WeakPolarHBondContact CB-O 3.39Å; T454-Q532 PolarHBondContact OG1-O 2.89Å; T454-Q532 VanDerWaalsContact OG1-O 3.09Å; S508-Q532 WeakPolarHBondContact O-CA 3.4Å
533	T	93	Very high	94.1	Very high	5 Å²	5	63 Å²	63	3%	0.031	31%	0.311	C	S	.	.			trans	-71.8	164.8	174.8	57.3	0	0	0	0	111	N456 L504 H505 N507 S508 Y510	N456-T533 WeakPolarHBondContact O-CB 3.23Å; L504-T533 HydrophobicContact CB-CG2 3.9Å; L504-T533 HydrophobicContact CD1-CG2 4.11Å; H505-T533 PolarHBondContact O-OG1 3.19Å; N507-T533 PolarHBondContact N-OG1 3.42Å; N507-T533 VanDerWaalsContact N-OG1 3.13Å; S508-T533 PolarHBondContact N-OG1 3.23Å; S508-T533 PolarHBondContact O-N 2.79Å; S508-T533 VanDerWaalsContact O-N 3.12Å; S508-T533 PolarHBondContact O-OG1 2.8Å; Y510-T533 HydrophobicContact CD2-CG2 4.02Å; Y510-T533 HydrophobicContact CE2-CG2 3.97Å
534	S	90.7	Very high	94.1	Very high	35 Å²	35	67.1 Å²	67.1	25%	0.245	34%	0.344	C	S	.	.			trans	-55	141.1	179.2	-177.4	0	0	0	0	112.5	N456 N507 I536	N456-S534 WeakPolarHBondContact O-CB 3.22Å; N456-S534 PolarHBondContact O-N 2.86Å; N507-S534 PolarHBondContact N-O 2.85Å; S534-I536 VanDerWaalsContact C-N 3.33Å; S534-I536 WeakPolarHBondContact CB-O 3.49Å; S534-I536 PolarHBondContact OG-N 3.28Å; S534-I536 PolarHBondContact OG-O 2.91Å
535	Q	86.5	Confident	93.8	Very high	141 Å²	141	61.2 Å²	61.2	66%	0.659	32%	0.32	S	S	*	.	S	Bend	trans	-71.2	-32.2	174.7	-63.5	-175.9	4.7	0	0	112.1
536	I	87.7	Confident	93.7	Very high	61 Å²	61	58.3 Å²	58.3	31%	0.313	31%	0.312	S	S	.	.	S	Bend	trans	-106	140.5	179.6	54	174.2	0	0	0	110.1	S534 G697	S534-I536 VanDerWaalsContact C-N 3.33Å; S534-I536 WeakPolarHBondContact CB-O 3.49Å; S534-I536 PolarHBondContact OG-N 3.28Å; S534-I536 PolarHBondContact OG-O 2.91Å; I536-G697 WeakPolarHBondContact CD1-O 3.37Å
537	A	91.4	Very high	93.7	Very high	11 Å²	11	59.8 Å²	59.8	9%	0.091	32%	0.318	C	S	.	.			trans	-89.8	113.9	-179.8	0	0	0	0	0	111.3	F506 F539 F575 G697	F506-A537 HydrophobicContact CD1-CB 4.02Å; F506-A537 HydrophobicContact CD2-CB 4.15Å; F506-A537 HydrophobicContact CE1-CB 3.89Å; F506-A537 HydrophobicContact CE2-CB 4.03Å; F506-A537 HydrophobicContact CG-CB 4.14Å; F506-A537 HydrophobicContact CZ-CB 3.87Å; A537-F539 HydrophobicContact CB-CD1 4.35Å; A537-F575 HydrophobicContact CB-CE1 3.47Å; A537-F575 VanDerWaalsContact CB-CE1 3.47Å; A537-F575 HydrophobicContact CB-CZ 3.65Å; A537-G697 WeakPolarHBondContact O-CA 3.39Å; A537-G697 PolarHBondContact O-N 2.72Å
538	W	92.8	Very high	93.7	Very high	149 Å²	149	56.2 Å²	56.2	56%	0.564	31%	0.314	S	S	*	.			trans	-96	124.4	167.3	-73.6	79.2	0	0	0	109.6	N456	N456-W538 PolarHBondContact ND2-O 3.12Å; N456-W538 WeakPolarHBondContact OD1-CB 3.42Å; N456-W538 PolarHBondContact OD1-N 3.29Å; N456-W538 VanDerWaalsContact OD1-N 3.13Å
539	F	94.8	Very high	93.7	Very high	9 Å²	9	54.8 Å²	54.8	4%	0.039	30%	0.304	C	S	.	.			trans	-151.4	165.6	176	64.6	-84.4	0	0	0	110.2	A537 A573 F575 W582 P682 L694 T696	A537-F539 HydrophobicContact CB-CD1 4.35Å; F539-A573 HydrophobicContact CB-CB 3.76Å; F539-A573 HydrophobicContact CG-CB 4.42Å; F539-F575 HydrophobicContact CD1-CE2 4.39Å; F539-F575 AromaticContact CD1-CZ 3.75Å; F539-F575 HydrophobicContact CD1-CZ 3.75Å; F539-F575 HydrophobicContact CE1-CE2 4.02Å; F539-F575 AromaticContact CE1-CZ 3.71Å; F539-F575 HydrophobicContact CE1-CZ 3.71Å; F539-F575 HydrophobicContact CZ-CE2 4.42Å; F539-W582 HydrophobicContact CE1-CB 4.15Å; F539-W582 HydrophobicContact CE1-CG 4.4Å; F539-W582 HydrophobicContact CZ-CB 3.79Å; F539-W582 AromaticContact CZ-CD2 3.93Å; F539-W582 HydrophobicContact CZ-CD2 3.93Å; F539-W582 HydrophobicContact CZ-CE3 4.34Å; F539-W582 AromaticContact CZ-CG 3.68Å; F539-W582 HydrophobicContact CZ-CG 3.68Å; F539-P682 HydrophobicContact CD2-CG 4.2Å; F539-P682 HydrophobicContact CE1-CG 4.23Å; F539-P682 HydrophobicContact CE2-CB 3.59Å; F539-P682 HydrophobicContact CE2-CG 3.45Å; F539-P682 VanDerWaalsContact CE2-CG 3.45Å; F539-P682 HydrophobicContact CZ-CB 3.89Å; F539-P682 HydrophobicContact CZ-CG 3.47Å; F539-P682 VanDerWaalsContact CZ-CG 3.47Å; F539-L694 HydrophobicContact CD2-CD2 3.86Å; F539-L694 HydrophobicContact CE2-CD1 3.97Å; F539-L694 HydrophobicContact CE2-CD2 3.59Å; F539-L694 HydrophobicContact CE2-CG 4.31Å; F539-L694 HydrophobicContact CZ-CD1 4.22Å; F539-L694 HydrophobicContact CZ-CD2 4.47Å; F539-T696 HydrophobicContact CD1-CG2 3.64Å; F539-T696 HydrophobicContact CD2-CG2 3.87Å; F539-T696 HydrophobicContact CE1-CG2 3.46Å; F539-T696 VanDerWaalsContact CE1-CG2 3.46Å; F539-T696 HydrophobicContact CE2-CG2 3.69Å; F539-T696 HydrophobicContact CG-CG2 3.84Å; F539-T696 HydrophobicContact CZ-CG2 3.48Å; F539-T696 VanDerWaalsContact CZ-CG2 3.48Å; F539-T696 PolarHBondContact N-OG1 3.25Å; F539-T696 WeakPolarHBondContact O-CG2 3.28Å; F539-T696 PolarHBondContact O-OG1 3Å
540	T	96.8	Very high	93.8	Very high	41 Å²	41	54 Å²	54	25%	0.252	30%	0.299	S	S	.	.			trans	-123.5	-179.5	176.9	61.1	0	0	0	0	108.7	L557 G571 S572	T540-L557 HydrophobicContact CG2-CD2 3.96Å; T540-L557 HydrophobicContact CG2-CG 4.4Å; T540-G571 CarbonylContact O-C 3.51Å; T540-G571 VanDerWaalsContact O-CA 3.23Å; T540-G571 WeakPolarHBondContact O-CA 3.46Å; T540-S572 PolarHBondContact N-OG 3.09Å; T540-S572 PolarHBondContact O-N 3.03Å; T540-S572 PolarHBondContact O-OG 2.81Å; T540-S572 PolarHBondContact OG1-OG 3.02Å
541	F	97.8	Very high	93.9	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-69.8	153	159.3	-63.9	-70.9	0	0	0	110.8	P543 F552 N556 L557 V559 V569 L570 I684 L694	F541-P543 WeakPolarHBondContact O-CD 3.21Å; F541-F552 HydrophobicContact CB-CD1 4.07Å; F541-F552 HydrophobicContact CB-CE1 3.62Å; F541-N556 WeakPolarHBondContact CB-O 3.28Å; F541-N556 WeakPolarHBondContact CD2-O 3.07Å; F541-N556 PolarHBondContact N-O 2.89Å; F541-L557 WeakPolarHBondContact CE2-O 3.31Å; F541-V559 HydrophobicContact CB-CG1 3.97Å; F541-V559 HydrophobicContact CD1-CG1 4.26Å; F541-V559 HydrophobicContact CD2-CB 4.26Å; F541-V559 HydrophobicContact CD2-CG1 3.3Å; F541-V559 HydrophobicContact CD2-CG2 4.06Å; F541-V559 HydrophobicContact CE1-CG2 4.34Å; F541-V559 HydrophobicContact CE2-CB 4.22Å; F541-V559 HydrophobicContact CE2-CG1 3.74Å; F541-V559 HydrophobicContact CE2-CG2 3.55Å; F541-V559 HydrophobicContact CG-CG1 3.58Å; F541-V559 HydrophobicContact CZ-CG1 4.39Å; F541-V559 HydrophobicContact CZ-CG2 3.71Å; F541-V569 HydrophobicContact CB-CG1 3.93Å; F541-V569 HydrophobicContact CD1-CB 4.33Å; F541-V569 HydrophobicContact CD1-CG1 3.73Å; F541-V569 HydrophobicContact CG-CG1 4.06Å; F541-L570 WeakPolarHBondContact CA-O 3.5Å; F541-I684 HydrophobicContact CE1-CG2 3.65Å; F541-I684 HydrophobicContact CZ-CG2 4.01Å; F541-L694 HydrophobicContact CD2-CB 4.2Å; F541-L694 HydrophobicContact CD2-CD2 4.3Å; F541-L694 HydrophobicContact CE1-CD2 4.45Å; F541-L694 HydrophobicContact CE2-CB 3.45Å; F541-L694 VanDerWaalsContact CE2-CB 3.45Å; F541-L694 HydrophobicContact CE2-CD2 4.18Å; F541-L694 HydrophobicContact CE2-CG 4.39Å; F541-L694 HydrophobicContact CZ-CB 3.74Å; F541-L694 HydrophobicContact CZ-CD2 4.26Å; F541-L694 HydrophobicContact CZ-CG 4.41Å
542	D	96.3	Very high	94.1	Very high	41 Å²	41	52.9 Å²	52.9	22%	0.219	29%	0.294	C	S	.	.			trans	-97.3	107.2	179.1	176.4	24.9	0	0	0	111.6	A544 S545 L570	D542-A544 VanDerWaalsContact C-N 3.28Å; D542-A544 PolarHBondContact O-N 2.79Å; D542-A544 WeakPolarHBondContact OD1-CB 3.45Å; D542-A544 PolarHBondContact OD1-N 2.95Å; D542-S545 WeakPolarHBondContact OD2-CB 3.23Å; D542-S545 PolarHBondContact OD2-N 3.36Å; D542-S545 PolarHBondContact OD2-OG 3.41Å; D542-L570 PolarHBondContact N-O 2.91Å
543	P	95.8	Very high	94.3	Very high	57 Å²	57	50.8 Å²	50.8	37%	0.37	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-23.5	177.2	-16	31.9	0	0	0	113.1	F541 F552 N556	F541-P543 WeakPolarHBondContact O-CD 3.21Å; P543-F552 HydrophobicContact CB-CD2 3.98Å; P543-F552 HydrophobicContact CB-CE2 3.82Å; P543-F552 HydrophobicContact CB-CG 4.49Å; P543-F552 HydrophobicContact CB-CZ 4.21Å; P543-F552 HydrophobicContact CG-CD1 4.47Å; P543-F552 HydrophobicContact CG-CD2 4.33Å; P543-F552 HydrophobicContact CG-CE2 4.41Å; P543-F552 HydrophobicContact CG-CG 4.36Å; P543-N556 HydrophobicContact CG-CB 4.29Å
544	A	94.3	Very high	94.5	Very high	96 Å²	96	55.1 Å²	55.1	79%	0.793	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-32.1	-174	0	0	0	0	0	112.1	D542	D542-A544 VanDerWaalsContact C-N 3.28Å; D542-A544 PolarHBondContact O-N 2.79Å; D542-A544 WeakPolarHBondContact OD1-CB 3.45Å; D542-A544 PolarHBondContact OD1-N 2.95Å
545	S	90.2	Very high	94.7	Very high	29 Å²	29	60.1 Å²	60.1	20%	0.203	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-10.4	178.6	66.5	0	0	0	0	114.1	D542 K606	D542-S545 WeakPolarHBondContact OD2-CB 3.23Å; D542-S545 PolarHBondContact OD2-N 3.36Å; D542-S545 PolarHBondContact OD2-OG 3.41Å; S545-K606 WeakPolarHBondContact O-CD 3.37Å; S545-K606 WeakPolarHBondContact O-CE 3.23Å; S545-K606 PolarHBondContact O-NZ 2.96Å
546	A	94.8	Very high	95.3	Very high	19 Å²	19	56.2 Å²	56.2	16%	0.157	32%	0.321	C	S	.	.	S	Bend	trans	-76.1	157.1	-172	0	0	0	0	0	114.8	I550 F552	A546-I550 HydrophobicContact CB-CB 4.3Å; A546-I550 HydrophobicContact CB-CG1 4.44Å; A546-I550 HydrophobicContact CB-CG2 4.45Å; A546-F552 HydrophobicContact CB-CE2 3.82Å; A546-F552 HydrophobicContact CB-CZ 3.44Å; A546-F552 VanDerWaalsContact CB-CZ 3.44Å
547	H	96.5	Very high	95.7	Very high	44 Å²	44	55.5 Å²	55.5	20%	0.204	32%	0.318	C	S	.	.			trans	-67.1	144.7	173.3	-172	-88.2	0	0	0	110.9	D549 I550 R567 D607	H547-D549 IonicContact CE1-OD1 3.37Å; H547-D549 IonicContact CE1-OD2 3.01Å; H547-D549 PolarHBondContact CE1-OD2 2.83Å; H547-D549 WeakPolarHBondContact ND1-CB 3.31Å; H547-D549 PolarHBondContact ND1-N 3.4Å; H547-D549 VanDerWaalsContact ND1-N 3.14Å; H547-D549 IonicContact ND1-OD2 3.7Å; H547-D549 PolarHBondContact ND1-OD2 3.47Å; H547-D549 PolarHBondContact O-N 2.87Å; H547-I550 HydrophobicContact CB-CG1 4.41Å; H547-I550 WeakPolarHBondContact O-CB 3.19Å; H547-I550 WeakPolarHBondContact O-CG1 3.39Å; H547-I550 PolarHBondContact O-N 2.85Å; H547-R567 HydrophobicContact CB-CG 4.48Å; H547-R567 PolarHBondContact CE1-NE 2.8Å; H547-R567 PolarHBondContact ND1-NE 3.02Å; H547-D607 IonicContact CD2-OD1 2.72Å; H547-D607 PolarHBondContact CD2-OD1 2.9Å; H547-D607 IonicContact CG-OD1 3.09Å; H547-D607 IonicContact NE2-OD1 3.33Å; H547-D607 PolarHBondContact NE2-OD1 2.76Å
548	P	95.6	Very high	96	Very high	115 Å²	115	55.3 Å²	55.3	75%	0.747	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.1	-178.9	-28.2	35.6	0	0	0	116.2	I550	P548-I550 PolarHBondContact O-N 3.17Å
549	D	96.3	Very high	96.3	Very high	44 Å²	44	48.2 Å²	48.2	24%	0.235	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.2	176.6	-66.1	-27	0	0	0	112.8	H547 C561 N562 S563 R567	H547-D549 IonicContact CE1-OD1 3.37Å; H547-D549 IonicContact CE1-OD2 3.01Å; H547-D549 PolarHBondContact CE1-OD2 2.83Å; H547-D549 WeakPolarHBondContact ND1-CB 3.31Å; H547-D549 PolarHBondContact ND1-N 3.4Å; H547-D549 VanDerWaalsContact ND1-N 3.14Å; H547-D549 IonicContact ND1-OD2 3.7Å; H547-D549 PolarHBondContact ND1-OD2 3.47Å; H547-D549 PolarHBondContact O-N 2.87Å; D549-C561 CarbonylContact O-C 3.57Å; D549-C561 WeakPolarHBondContact O-CA 2.94Å; D549-N562 PolarHBondContact O-N 3.25Å; D549-S563 VanDerWaalsContact OD2-CB 3.28Å; D549-S563 WeakPolarHBondContact OD2-CB 3.49Å; D549-R567 HydrophobicContact CB-CG 4.29Å; D549-R567 IonicContact OD2-CZ 3.26Å; D549-R567 IonicContact OD2-NE 2.93Å; D549-R567 PolarHBondContact OD2-NE 3.13Å; D549-R567 IonicContact OD2-NH2 3.95Å; D549-R567 PolarHBondContact OD2-NH2 2.94Å
550	I	97.6	Very high	96.3	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.062	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	134.4	179.2	-60.4	-65.9	0	0	0	109.7	A546 H547 P548 F552 V559 S560 C561 R567 V569	A546-I550 HydrophobicContact CB-CB 4.3Å; A546-I550 HydrophobicContact CB-CG1 4.44Å; A546-I550 HydrophobicContact CB-CG2 4.45Å; H547-I550 HydrophobicContact CB-CG1 4.41Å; H547-I550 WeakPolarHBondContact O-CB 3.19Å; H547-I550 WeakPolarHBondContact O-CG1 3.39Å; H547-I550 PolarHBondContact O-N 2.85Å; P548-I550 PolarHBondContact O-N 3.17Å; I550-F552 HydrophobicContact CB-CE2 4.2Å; I550-F552 HydrophobicContact CB-CZ 4.3Å; I550-F552 HydrophobicContact CG2-CD1 4.44Å; I550-F552 HydrophobicContact CG2-CD2 4.16Å; I550-F552 HydrophobicContact CG2-CE1 3.86Å; I550-F552 HydrophobicContact CG2-CE2 3.55Å; I550-F552 HydrophobicContact CG2-CZ 3.39Å; I550-V559 HydrophobicContact CG2-CG1 4.38Å; I550-S560 WeakPolarHBondContact CA-O 3.4Å; I550-C561 HydrophobicContact CD1-CB 4.13Å; I550-R567 HydrophobicContact CD1-CB 3.46Å; I550-R567 VanDerWaalsContact CD1-CB 3.46Å; I550-R567 HydrophobicContact CD1-CG 4.3Å; I550-R567 HydrophobicContact CG1-CB 4.06Å; I550-V569 HydrophobicContact CB-CG2 4.34Å; I550-V569 HydrophobicContact CD1-CG2 3.37Å; I550-V569 HydrophobicContact CG1-CG2 3.64Å; I550-V569 HydrophobicContact CG2-CG2 3.78Å
551	V	97.3	Very high	96.3	Very high	54 Å²	54	46.8 Å²	46.8	33%	0.327	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.6	177.8	-178.2	0	0	0	0	108.8	S560 N562	V551-S560 PolarHBondContact N-O 2.78Å; V551-S560 PolarHBondContact O-N 3.35Å; V551-S560 PolarHBondContact O-OG 3.01Å; V551-N562 WeakPolarHBondContact CG2-ND2 3.3Å
552	F	97.8	Very high	96.1	Very high	47 Å²	47	51.2 Å²	51.2	21%	0.206	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	142.7	176.8	-59.8	-83.7	0	0	0	111	F541 P543 A546 I550 N556 T558 V559 V569	F541-F552 HydrophobicContact CB-CD1 4.07Å; F541-F552 HydrophobicContact CB-CE1 3.62Å; P543-F552 HydrophobicContact CB-CD2 3.98Å; P543-F552 HydrophobicContact CB-CE2 3.82Å; P543-F552 HydrophobicContact CB-CG 4.49Å; P543-F552 HydrophobicContact CB-CZ 4.21Å; P543-F552 HydrophobicContact CG-CD1 4.47Å; P543-F552 HydrophobicContact CG-CD2 4.33Å; P543-F552 HydrophobicContact CG-CE2 4.41Å; P543-F552 HydrophobicContact CG-CG 4.36Å; A546-F552 HydrophobicContact CB-CE2 3.82Å; A546-F552 HydrophobicContact CB-CZ 3.44Å; A546-F552 VanDerWaalsContact CB-CZ 3.44Å; I550-F552 HydrophobicContact CB-CE2 4.2Å; I550-F552 HydrophobicContact CB-CZ 4.3Å; I550-F552 HydrophobicContact CG2-CD1 4.44Å; I550-F552 HydrophobicContact CG2-CD2 4.16Å; I550-F552 HydrophobicContact CG2-CE1 3.86Å; I550-F552 HydrophobicContact CG2-CE2 3.55Å; I550-F552 HydrophobicContact CG2-CZ 3.39Å; F552-N556 HydrophobicContact CD1-CB 4.43Å; F552-T558 CarbonylContact C-O 3.59Å; F552-T558 WeakPolarHBondContact CA-O 3.42Å; F552-V559 HydrophobicContact CD1-CG1 3.6Å; F552-V559 HydrophobicContact CE1-CG1 3.58Å; F552-V569 HydrophobicContact CE1-CG1 3.87Å; F552-V569 HydrophobicContact CZ-CG1 4.05Å
553	S	97.1	Very high	95.9	Very high	54 Å²	54	50.1 Å²	50.1	38%	0.378	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	176.2	167.9	61.6	0	0	0	0	110.4	N556 L557 T558	S553-N556 PolarHBondContact O-N 2.92Å; S553-L557 PolarHBondContact O-N 2.82Å; S553-T558 PolarHBondContact N-O 3.1Å; S553-T558 PolarHBondContact O-N 2.8Å
554	N	96.1	Very high	95.7	Very high	96 Å²	96	54.4 Å²	54.4	51%	0.513	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	56.8	178.8	-168.2	38	0	0	0	112.5	N556 L557 T558	N554-N556 VanDerWaalsContact C-N 3.25Å; N554-N556 PolarHBondContact O-N 2.92Å; N554-L557 VanDerWaalsContact O-CB 3.26Å; N554-L557 WeakPolarHBondContact O-CB 3.43Å; N554-L557 PolarHBondContact O-N 2.81Å; N554-T558 WeakPolarHBondContact CB-OG1 3.44Å
555	D	96.2	Very high	95.6	Very high	140 Å²	140	54.6 Å²	54.6	75%	0.749	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	41.1	-178.4	-58.1	-38.2	0	0	0	113.9	L557	D555-L557 PolarHBondContact O-N 2.81Å
556	N	97.8	Very high	95.7	Very high	59 Å²	59	54.2 Å²	54.2	32%	0.316	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	18.5	-177.5	-49.2	-39.8	0	0	0	114.8	F541 P543 F552 S553 N554	F541-N556 WeakPolarHBondContact CB-O 3.28Å; F541-N556 WeakPolarHBondContact CD2-O 3.07Å; F541-N556 PolarHBondContact N-O 2.89Å; P543-N556 HydrophobicContact CG-CB 4.29Å; F552-N556 HydrophobicContact CD1-CB 4.43Å; S553-N556 PolarHBondContact O-N 2.92Å; N554-N556 VanDerWaalsContact C-N 3.25Å; N554-N556 PolarHBondContact O-N 2.92Å
557	L	97.5	Very high	95.8	Very high	47 Å²	47	54.5 Å²	54.5	25%	0.246	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-19	172.8	-64.9	167.4	0	0	0	112.5	T540 F541 S553 N554 D555 T693 L694	T540-L557 HydrophobicContact CG2-CD2 3.96Å; T540-L557 HydrophobicContact CG2-CG 4.4Å; F541-L557 WeakPolarHBondContact CE2-O 3.31Å; S553-L557 PolarHBondContact O-N 2.82Å; N554-L557 VanDerWaalsContact O-CB 3.26Å; N554-L557 WeakPolarHBondContact O-CB 3.43Å; N554-L557 PolarHBondContact O-N 2.81Å; D555-L557 PolarHBondContact O-N 2.81Å; L557-T693 CarbonylContact O-C 3.54Å; L557-T693 WeakPolarHBondContact O-CA 3.34Å; L557-L694 WeakPolarHBondContact O-CB 3.39Å; L557-L694 PolarHBondContact O-N 3.47Å
558	T	98	Very high	95.8	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.1	-179.2	-56.7	0	0	0	0	110.6	F552 S553 N554 Q691 V692 T693	F552-T558 CarbonylContact C-O 3.59Å; F552-T558 WeakPolarHBondContact CA-O 3.42Å; S553-T558 PolarHBondContact N-O 3.1Å; S553-T558 PolarHBondContact O-N 2.8Å; N554-T558 WeakPolarHBondContact CB-OG1 3.44Å; T558-Q691 HydrophobicContact CG2-CG 3.87Å; T558-V692 CarbonylContact C-O 3.49Å; T558-V692 WeakPolarHBondContact CA-O 3.31Å; T558-T693 WeakPolarHBondContact CG2-OG1 3.37Å; T558-T693 PolarHBondContact OG1-OG1 3.1Å
559	V	97.6	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	140	-179.3	-71.7	0	0	0	0	112	F541 I550 F552 V569 I684 L686 Q691 V692	F541-V559 HydrophobicContact CB-CG1 3.97Å; F541-V559 HydrophobicContact CD1-CG1 4.26Å; F541-V559 HydrophobicContact CD2-CB 4.26Å; F541-V559 HydrophobicContact CD2-CG1 3.3Å; F541-V559 HydrophobicContact CD2-CG2 4.06Å; F541-V559 HydrophobicContact CE1-CG2 4.34Å; F541-V559 HydrophobicContact CE2-CB 4.22Å; F541-V559 HydrophobicContact CE2-CG1 3.74Å; F541-V559 HydrophobicContact CE2-CG2 3.55Å; F541-V559 HydrophobicContact CG-CG1 3.58Å; F541-V559 HydrophobicContact CZ-CG1 4.39Å; F541-V559 HydrophobicContact CZ-CG2 3.71Å; I550-V559 HydrophobicContact CG2-CG1 4.38Å; F552-V559 HydrophobicContact CD1-CG1 3.6Å; F552-V559 HydrophobicContact CE1-CG1 3.58Å; V559-V569 HydrophobicContact CG1-CG1 4.19Å; V559-I684 HydrophobicContact CG2-CG2 4.31Å; V559-L686 HydrophobicContact CB-CD2 4.23Å; V559-L686 HydrophobicContact CG2-CD2 3.6Å; V559-Q691 WeakPolarHBondContact O-CA 3.45Å; V559-Q691 WeakPolarHBondContact O-CG 3.49Å; V559-V692 HydrophobicContact CG2-CB 4.41Å; V559-V692 PolarHBondContact N-O 3.5Å; V559-V692 PolarHBondContact O-N 3.34Å
560	S	95.9	Very high	96	Very high	18 Å²	18	45.1 Å²	45.1	13%	0.126	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	171.3	168.2	59.1	0	0	0	0	109.1	I550 V551	I550-S560 WeakPolarHBondContact CA-O 3.4Å; V551-S560 PolarHBondContact N-O 2.78Å; V551-S560 PolarHBondContact O-N 3.35Å; V551-S560 PolarHBondContact O-OG 3.01Å
561	C	95.3	Very high	95.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.9	-179.2	-177	0	0	0	0	110.4	D549 I550 S563 L686 R688	D549-C561 CarbonylContact O-C 3.57Å; D549-C561 WeakPolarHBondContact O-CA 2.94Å; I550-C561 HydrophobicContact CD1-CB 4.13Å; C561-S563 PolarHBondContact SG-N 2.53Å; C561-L686 HydrophobicContact CB-CD1 3.83Å; C561-R688 WeakPolarHBondContact O-CA 3.4Å; C561-R688 WeakPolarHBondContact O-CG 3.38Å
562	N	94.7	Very high	95.8	Very high	95 Å²	95	44.9 Å²	44.9	51%	0.508	24%	0.238	S	C	.	.	S	Bend	trans	-94.9	-16.6	172.8	-72.5	-38.6	0	0	0	112.8	D549 V551	D549-N562 PolarHBondContact O-N 3.25Å; V551-N562 WeakPolarHBondContact CG2-ND2 3.3Å
563	S	92.4	Very high	95.5	Very high	18 Å²	18	42.9 Å²	42.9	13%	0.126	23%	0.23	C	C	.	.	S	Bend	trans	-89.3	151.3	-178.1	-170.7	0	0	0	0	112.9	D549 C561 D565 R688	D549-S563 VanDerWaalsContact OD2-CB 3.28Å; D549-S563 WeakPolarHBondContact OD2-CB 3.49Å; C561-S563 PolarHBondContact SG-N 2.53Å; S563-D565 VanDerWaalsContact C-N 3.29Å; S563-D565 PolarHBondContact OG-N 2.95Å; S563-R688 VanDerWaalsContact O-CB 3.27Å; S563-R688 WeakPolarHBondContact O-CB 3.42Å; S563-R688 PolarHBondContact O-N 2.89Å
564	Y	90.1	Very high	95.3	Very high	148 Å²	148	42 Å²	42	58%	0.58	23%	0.226	S	C	*	.	S	Bend	trans	-76.9	-19.4	167	-73.7	-80.3	0	0	0	112.5
565	D	92.8	Very high	95.2	Very high	99 Å²	99	37.6 Å²	37.6	53%	0.529	20%	0.203	S	C	.	.	S	Bend	trans	-78.9	151.2	173.4	-58.2	-47.5	0	0	0	110.9	S563 R567	S563-D565 VanDerWaalsContact C-N 3.29Å; S563-D565 PolarHBondContact OG-N 2.95Å; D565-R567 IonicContact OD2-NH2 3.84Å
566	D	93.1	Very high	95	Very high	21 Å²	21	33 Å²	33	11%	0.112	18%	0.182	C	C	.	.			trans	-70.4	133.6	175.8	-59.3	-61.6	0	0	0	111.1	D607 M609	D566-D607 CarbonylContact O-C 3.53Å; D566-M609 HydrophobicContact CB-CB 4.06Å; D566-M609 WeakPolarHBondContact OD2-CE 3.5Å
567	R	96.6	Very high	94.6	Very high	26 Å²	26	33.4 Å²	33.4	10%	0.098	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.7	176.9	-61.5	-60.5	-172.7	-145.5	-14.4	110.2	H547 D549 I550 D565 K606 D607 S685 L686	H547-R567 HydrophobicContact CB-CG 4.48Å; H547-R567 PolarHBondContact CE1-NE 2.8Å; H547-R567 PolarHBondContact ND1-NE 3.02Å; D549-R567 HydrophobicContact CB-CG 4.29Å; D549-R567 IonicContact OD2-CZ 3.26Å; D549-R567 IonicContact OD2-NE 2.93Å; D549-R567 PolarHBondContact OD2-NE 3.13Å; D549-R567 IonicContact OD2-NH2 3.95Å; D549-R567 PolarHBondContact OD2-NH2 2.94Å; I550-R567 HydrophobicContact CD1-CB 3.46Å; I550-R567 VanDerWaalsContact CD1-CB 3.46Å; I550-R567 HydrophobicContact CD1-CG 4.3Å; I550-R567 HydrophobicContact CG1-CB 4.06Å; D565-R567 IonicContact OD2-NH2 3.84Å; R567-K606 VanDerWaalsContact CA-O 3.32Å; R567-K606 WeakPolarHBondContact CA-O 3.49Å; R567-D607 IonicContact CZ-OD1 3.89Å; R567-D607 IonicContact NE-OD1 3.89Å; R567-D607 IonicContact NH1-OD1 3.21Å; R567-D607 PolarHBondContact NH1-OD1 2.77Å; R567-S685 VanDerWaalsContact O-CA 3.27Å; R567-S685 WeakPolarHBondContact O-CA 3.48Å; R567-L686 PolarHBondContact N-O 2.75Å; R567-L686 PolarHBondContact O-N 3.02Å; R567-L686 VanDerWaalsContact O-N 3.11Å
568	V	97.4	Very high	94.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.4	175.1	179.8	0	0	0	0	110.4	L570 V604 L605 K606 V608 L610 A683 I684	V568-L570 HydrophobicContact CG1-CD1 4.05Å; V568-V604 HydrophobicContact CG1-CG1 4.06Å; V568-L605 WeakPolarHBondContact CG2-O 3.33Å; V568-K606 PolarHBondContact N-O 2.95Å; V568-V608 VanDerWaalsContact CG2-O 3.25Å; V568-V608 WeakPolarHBondContact CG2-O 3.41Å; V568-L610 HydrophobicContact CG1-CD1 3.76Å; V568-L610 HydrophobicContact CG2-CB 4.28Å; V568-L610 HydrophobicContact CG2-CD1 4.09Å; V568-A683 HydrophobicContact CG1-CB 4.49Å; V568-I684 CarbonylContact C-O 3.54Å; V568-I684 WeakPolarHBondContact CA-O 3.31Å
569	V	97.5	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	137.1	172.2	-167.7	0	0	0	0	108.9	F541 I550 F552 V559 A683 I684 L686	F541-V569 HydrophobicContact CB-CG1 3.93Å; F541-V569 HydrophobicContact CD1-CB 4.33Å; F541-V569 HydrophobicContact CD1-CG1 3.73Å; F541-V569 HydrophobicContact CG-CG1 4.06Å; I550-V569 HydrophobicContact CB-CG2 4.34Å; I550-V569 HydrophobicContact CD1-CG2 3.37Å; I550-V569 HydrophobicContact CG1-CG2 3.64Å; I550-V569 HydrophobicContact CG2-CG2 3.78Å; F552-V569 HydrophobicContact CE1-CG1 3.87Å; F552-V569 HydrophobicContact CZ-CG1 4.05Å; V559-V569 HydrophobicContact CG1-CG1 4.19Å; V569-A683 VanDerWaalsContact O-CA 3.3Å; V569-A683 WeakPolarHBondContact O-CA 3.07Å; V569-I684 HydrophobicContact CB-CG2 4.14Å; V569-I684 PolarHBondContact N-O 3.03Å; V569-I684 PolarHBondContact O-N 3.41Å; V569-L686 HydrophobicContact CG2-CD2 4.4Å
570	L	97.6	Very high	93.8	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	155.7	-179.6	-67	80.8	0	0	0	110.5	F541 D542 V568 C600 V604 Y681 P682	F541-L570 WeakPolarHBondContact CA-O 3.5Å; D542-L570 PolarHBondContact N-O 2.91Å; V568-L570 HydrophobicContact CG1-CD1 4.05Å; L570-C600 WeakPolarHBondContact CD2-SG 3.48Å; L570-C600 VanDerWaalsContact CG-SG 3.55Å; L570-V604 HydrophobicContact CD1-CG1 3.95Å; L570-V604 HydrophobicContact CD2-CG1 4.34Å; L570-V604 HydrophobicContact CG-CG1 4.49Å; L570-Y681 HydrophobicContact CD2-CD2 4.18Å; L570-Y681 HydrophobicContact CD2-CG 4.01Å; L570-P682 CarbonylContact C-O 3.56Å; L570-P682 WeakPolarHBondContact CA-O 3.34Å
571	G	96.1	Very high	93.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-70.5	158.9	165.8	0	0	0	0	0	112.3	T540 A573 Y681 P682	T540-G571 CarbonylContact O-C 3.51Å; T540-G571 VanDerWaalsContact O-CA 3.23Å; T540-G571 WeakPolarHBondContact O-CA 3.46Å; G571-A573 VanDerWaalsContact C-N 3.29Å; G571-A573 PolarHBondContact O-N 2.84Å; G571-Y681 VanDerWaalsContact O-CD1 3.31Å; G571-Y681 WeakPolarHBondContact O-CD1 3.27Å; G571-P682 PolarHBondContact N-O 3.06Å
572	S	93.9	Very high	93.9	Very high	61 Å²	61	33.8 Å²	33.8	43%	0.427	18%	0.184	S	C	.	.	S	Bend	trans	-78.7	-8.6	178.4	55.4	0	0	0	0	114.4	T540	T540-S572 PolarHBondContact N-OG 3.09Å; T540-S572 PolarHBondContact O-N 3.03Å; T540-S572 PolarHBondContact O-OG 2.81Å; T540-S572 PolarHBondContact OG1-OG 3.02Å
573	A	92.9	Very high	94	Very high	6 Å²	6	31.2 Å²	31.2	5%	0.05	17%	0.169	C	C	.	.	S	Bend	trans	-123.8	139.7	176.9	0	0	0	0	0	111.4	F506 F539 G571 P682	F506-A573 HydrophobicContact CE2-CB 4.32Å; F506-A573 HydrophobicContact CZ-CB 4.47Å; F539-A573 HydrophobicContact CB-CB 3.76Å; F539-A573 HydrophobicContact CG-CB 4.42Å; G571-A573 VanDerWaalsContact C-N 3.29Å; G571-A573 PolarHBondContact O-N 2.84Å; A573-P682 WeakPolarHBondContact O-CD 3.31Å
574	A	92.9	Very high	94.3	Very high	36 Å²	36	30.5 Å²	30.5	30%	0.298	16%	0.164	S	C	.	.			trans	-97.7	149	170.5	0	0	0	0	0	110.9	A679 Y680 Y681	A574-A679 HydrophobicContact CB-CB 4.4Å; A574-Y680 CarbonylContact C-O 3.57Å; A574-Y680 WeakPolarHBondContact CA-O 3.21Å; A574-Y681 HydrophobicContact CB-CD1 4Å; A574-Y681 HydrophobicContact CB-CD2 4.17Å; A574-Y681 HydrophobicContact CB-CE1 3.66Å; A574-Y681 HydrophobicContact CB-CE2 3.81Å; A574-Y681 HydrophobicContact CB-CG 4.27Å
575	F	93.5	Very high	94.7	Very high	3 Å²	3	24.6 Å²	24.6	1%	0.013	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-118.7	140.4	174.3	-53.1	-62.4	0	0	0	110.1	F506 A537 F539 H580 W582 L652 F654 A679 Y680 P682	F506-F575 AromaticContact CD2-CD1 3.86Å; F506-F575 HydrophobicContact CD2-CD1 3.86Å; F506-F575 AromaticContact CD2-CE1 3.63Å; F506-F575 HydrophobicContact CD2-CE1 3.63Å; F506-F575 HydrophobicContact CE2-CD1 4.01Å; F506-F575 AromaticContact CE2-CE1 3.48Å; F506-F575 HydrophobicContact CE2-CE1 3.48Å; F506-F575 VanDerWaalsContact CE2-CE1 3.48Å; F506-F575 HydrophobicContact CZ-CE1 4.36Å; A537-F575 HydrophobicContact CB-CE1 3.47Å; A537-F575 VanDerWaalsContact CB-CE1 3.47Å; A537-F575 HydrophobicContact CB-CZ 3.65Å; F539-F575 HydrophobicContact CD1-CE2 4.39Å; F539-F575 AromaticContact CD1-CZ 3.75Å; F539-F575 HydrophobicContact CD1-CZ 3.75Å; F539-F575 HydrophobicContact CE1-CE2 4.02Å; F539-F575 AromaticContact CE1-CZ 3.71Å; F539-F575 HydrophobicContact CE1-CZ 3.71Å; F539-F575 HydrophobicContact CZ-CE2 4.42Å; F575-H580 AromaticContact CD1-CD2 3.75Å; F575-H580 AromaticContact CD1-CE1 3.68Å; F575-H580 AromaticContact CD1-CG 3.71Å; F575-H580 AromaticContact CD1-ND1 3.69Å; F575-H580 AromaticContact CD1-NE2 3.7Å; F575-H580 HydrophobicContact CD2-CB 4.41Å; F575-H580 AromaticContact CE1-ND1 3.74Å; F575-H580 HydrophobicContact CE2-CB 4.47Å; F575-H580 HydrophobicContact CG-CB 4.46Å; F575-H580 AromaticContact CG-CD2 3.72Å; F575-H580 AromaticContact CG-CG 3.86Å; F575-W582 HydrophobicContact CD2-CZ3 4.25Å; F575-W582 HydrophobicContact CE2-CE3 4.3Å; F575-W582 HydrophobicContact CE2-CZ3 4.06Å; F575-L652 HydrophobicContact CB-CD2 4.36Å; F575-F654 VanDerWaalsContact C-CZ 3.41Å; F575-F654 HydrophobicContact CB-CE2 3.56Å; F575-F654 HydrophobicContact CB-CZ 4.05Å; F575-F654 WeakPolarHBondContact O-CZ 3.28Å; F575-A679 CarbonylContact O-C 3.59Å; F575-A679 WeakPolarHBondContact O-CA 3.1Å; F575-Y680 PolarHBondContact N-O 2.93Å; F575-Y680 PolarHBondContact O-N 2.72Å; F575-P682 HydrophobicContact CD2-CG 4.07Å; F575-P682 HydrophobicContact CE2-CG 3.47Å; F575-P682 VanDerWaalsContact CE2-CG 3.47Å; F575-P682 HydrophobicContact CZ-CG 4.47Å
576	S	91.1	Very high	94.9	Very high	44 Å²	44	19.9 Å²	19.9	31%	0.308	12%	0.118	S	C	.	.			trans	-144.1	3.8	175.8	66.6	0	0	0	0	113.3	H505 F654 G678	H505-S576 PolarHBondContact CE1-OG 3.24Å; H505-S576 PolarHBondContact ND1-OG 2.97Å; S576-F654 VanDerWaalsContact CA-CZ 3.49Å; S576-G678 WeakPolarHBondContact CA-O 3.47Å; S576-G678 WeakPolarHBondContact CB-O 3.41Å
577	R	89.3	Confident	95	Very high	67 Å²	67	21.2 Å²	21.2	25%	0.253	13%	0.125	S	C	.	.	S	Bend	trans	-158.5	151.1	-176.3	-176.5	167	68.2	-162.7	4	109.9	D482 H505 S508 H580	D482-R577 PolarHBondContact O-NH1 3.22Å; D482-R577 PolarHBondContact O-NH2 2.98Å; H505-R577 VanDerWaalsContact CB-NH2 3.34Å; H505-R577 VanDerWaalsContact CD2-CZ 3.46Å; H505-R577 PolarHBondContact CD2-NH2 2.96Å; S508-R577 VanDerWaalsContact CB-NH2 3.31Å; S508-R577 PolarHBondContact OG-NE 2.99Å; S508-R577 PolarHBondContact OG-NH2 2.92Å; R577-H580 PolarHBondContact O-NE2 3.19Å
578	G	89.9	Confident	94.9	Very high	25 Å²	25	23.7 Å²	23.7	26%	0.258	13%	0.134	S	C	.	.	S	Bend	trans	83.8	-166.4	176.8	0	0	0	0	0	113	F654	G578-F654 WeakPolarHBondContact O-CB 3.32Å; G578-F654 WeakPolarHBondContact O-CD2 3.44Å; G578-F654 PolarHBondContact O-N 3.05Å
579	V	92.4	Very high	94.7	Very high	25 Å²	25	24.3 Å²	24.3	15%	0.152	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.4	179	-174.2	0	0	0	0	108.4	L651 L652 D653 T655 I700 Y704 P706	V579-L651 HydrophobicContact CG1-CD2 4.37Å; V579-L652 WeakPolarHBondContact CA-O 3.5Å; V579-D653 HydrophobicContact CG1-CB 4.14Å; V579-D653 HydrophobicContact CG2-CB 4.13Å; V579-D653 WeakPolarHBondContact CG2-OD1 3.47Å; V579-T655 HydrophobicContact CG2-CG2 4.42Å; V579-I700 HydrophobicContact CB-CD1 3.74Å; V579-I700 HydrophobicContact CG1-CD1 3.77Å; V579-I700 HydrophobicContact CG1-CG1 4.19Å; V579-Y704 HydrophobicContact CG1-CE1 4.15Å; V579-P706 HydrophobicContact CG2-CB 4.05Å
580	H	94	Very high	94.2	Very high	13 Å²	13	29.2 Å²	29.2	6%	0.06	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142	-175.3	-59.1	-70.9	0	0	0	110.4	F575 R577 W582 L651 L652	F575-H580 AromaticContact CD1-CD2 3.75Å; F575-H580 AromaticContact CD1-CE1 3.68Å; F575-H580 AromaticContact CD1-CG 3.71Å; F575-H580 AromaticContact CD1-ND1 3.69Å; F575-H580 AromaticContact CD1-NE2 3.7Å; F575-H580 HydrophobicContact CD2-CB 4.41Å; F575-H580 AromaticContact CE1-ND1 3.74Å; F575-H580 HydrophobicContact CE2-CB 4.47Å; F575-H580 HydrophobicContact CG-CB 4.46Å; F575-H580 AromaticContact CG-CD2 3.72Å; F575-H580 AromaticContact CG-CG 3.86Å; R577-H580 PolarHBondContact O-NE2 3.19Å; H580-W582 HydrophobicContact CB-CE3 4.48Å; H580-W582 HydrophobicContact CB-CZ3 4.24Å; H580-L651 WeakPolarHBondContact O-CA 3.37Å; H580-L652 PolarHBondContact N-O 2.8Å; H580-L652 PolarHBondContact O-N 3.14Å
581	Y	95.6	Very high	93	Very high	17 Å²	17	32.2 Å²	32.2	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.6	176.5	-179.1	-109.9	0	0	0	110	E583 V650 L651 L662 L698 P699 P701	Y581-E583 HydrophobicContact CE1-CG 3.71Å; Y581-E583 VanDerWaalsContact CE1-OE1 3.22Å; Y581-E583 WeakPolarHBondContact CE1-OE1 3.32Å; Y581-E583 VanDerWaalsContact CZ-OE1 3.3Å; Y581-E583 VanDerWaalsContact OH-CG 3.25Å; Y581-E583 WeakPolarHBondContact OH-CG 3.24Å; Y581-E583 PolarHBondContact OH-OE1 3.37Å; Y581-V650 WeakPolarHBondContact CA-O 3.49Å; Y581-V650 VanDerWaalsContact CD2-O 3.3Å; Y581-V650 WeakPolarHBondContact CD2-O 3.4Å; Y581-L651 HydrophobicContact CD2-CB 3.94Å; Y581-L651 HydrophobicContact CD2-CG 4.47Å; Y581-L662 HydrophobicContact CE2-CD1 4.12Å; Y581-L698 HydrophobicContact CD1-CB 4Å; Y581-L698 HydrophobicContact CD1-CD1 4.25Å; Y581-L698 HydrophobicContact CE1-CD1 4.06Å; Y581-P699 WeakPolarHBondContact CD1-O 3.21Å; Y581-P701 HydrophobicContact CD1-CG 3.7Å; Y581-P701 HydrophobicContact CD2-CG 3.83Å; Y581-P701 HydrophobicContact CE1-CG 3.62Å; Y581-P701 HydrophobicContact CE2-CG 3.75Å; Y581-P701 HydrophobicContact CG-CG 3.8Å
582	W	97.6	Very high	92.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	161.8	172	66.1	92.8	0	0	0	110.2	F539 F575 H580 I599 V650 L652 P682 L694	F539-W582 HydrophobicContact CE1-CB 4.15Å; F539-W582 HydrophobicContact CE1-CG 4.4Å; F539-W582 HydrophobicContact CZ-CB 3.79Å; F539-W582 AromaticContact CZ-CD2 3.93Å; F539-W582 HydrophobicContact CZ-CD2 3.93Å; F539-W582 HydrophobicContact CZ-CE3 4.34Å; F539-W582 AromaticContact CZ-CG 3.68Å; F539-W582 HydrophobicContact CZ-CG 3.68Å; F575-W582 HydrophobicContact CD2-CZ3 4.25Å; F575-W582 HydrophobicContact CE2-CE3 4.3Å; F575-W582 HydrophobicContact CE2-CZ3 4.06Å; H580-W582 HydrophobicContact CB-CE3 4.48Å; H580-W582 HydrophobicContact CB-CZ3 4.24Å; W582-I599 HydrophobicContact CH2-CG2 3.63Å; W582-I599 HydrophobicContact CZ2-CG2 3.85Å; W582-V650 HydrophobicContact CD2-CB 4.09Å; W582-V650 HydrophobicContact CH2-CB 4.22Å; W582-V650 HydrophobicContact CH2-CG1 3.68Å; W582-V650 HydrophobicContact CZ2-CB 3.63Å; W582-V650 HydrophobicContact CZ2-CG1 3.35Å; W582-V650 HydrophobicContact CZ2-CG2 4.25Å; W582-V650 HydrophobicContact CZ3-CG1 4.42Å; W582-V650 PolarHBondContact N-O 3.15Å; W582-V650 PolarHBondContact O-N 2.86Å; W582-L652 HydrophobicContact CH2-CB 4.27Å; W582-L652 HydrophobicContact CH2-CD2 4.43Å; W582-L652 HydrophobicContact CZ3-CB 4.14Å; W582-P682 HydrophobicContact CD2-CB 4.32Å; W582-P682 HydrophobicContact CD2-CG 4.21Å; W582-P682 HydrophobicContact CE3-CG 4.33Å; W582-P682 HydrophobicContact CH2-CB 4.26Å; W582-P682 HydrophobicContact CH2-CG 3.94Å; W582-P682 HydrophobicContact CZ2-CB 3.59Å; W582-P682 HydrophobicContact CZ2-CG 3.77Å; W582-P682 HydrophobicContact CZ3-CG 4.21Å; W582-L694 HydrophobicContact CG-CD1 4.41Å
583	E	97.8	Very high	91.4	Very high	42 Å²	42	38.3 Å²	38.3	20%	0.196	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.8	-178.6	-72.4	177.3	-172.4	0	0	111.6	Y581 T647 I648 H695 L698	Y581-E583 HydrophobicContact CE1-CG 3.71Å; Y581-E583 VanDerWaalsContact CE1-OE1 3.22Å; Y581-E583 WeakPolarHBondContact CE1-OE1 3.32Å; Y581-E583 VanDerWaalsContact CZ-OE1 3.3Å; Y581-E583 VanDerWaalsContact OH-CG 3.25Å; Y581-E583 WeakPolarHBondContact OH-CG 3.24Å; Y581-E583 PolarHBondContact OH-OE1 3.37Å; E583-T647 HydrophobicContact CB-CG2 3.89Å; E583-T647 HydrophobicContact CG-CG2 4Å; E583-T647 WeakPolarHBondContact OE2-CG2 3.3Å; E583-I648 CarbonylContact C-O 3.58Å; E583-I648 VanDerWaalsContact CA-O 3.26Å; E583-I648 WeakPolarHBondContact CA-O 3.4Å; E583-H695 HydrophobicContact CB-CB 4.18Å; E583-H695 PolarHBondContact N-O 3.14Å; E583-H695 VanDerWaalsContact N-O 3.07Å; E583-H695 PolarHBondContact O-N 3.01Å; E583-L698 HydrophobicContact CB-CD1 3.84Å; E583-L698 HydrophobicContact CG-CD1 3.68Å
584	M	98	Very high	91.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.2	177.5	-74.4	169.3	-70.8	0	0	109.3	F597 I648 V650 V692 T693 L694	M584-F597 HydrophobicContact CB-CD1 4.24Å; M584-F597 HydrophobicContact CB-CE1 4.19Å; M584-F597 HydrophobicContact CE-CB 4.07Å; M584-F597 HydrophobicContact CE-CD1 3.76Å; M584-F597 HydrophobicContact CE-CG 4.38Å; M584-F597 HydrophobicContact SD-CD1 3.8Å; M584-F597 HydrophobicContact SD-CE1 4.45Å; M584-I648 PolarHBondContact N-O 2.82Å; M584-I648 WeakPolarHBondContact O-CD1 3.33Å; M584-I648 PolarHBondContact O-N 3.11Å; M584-V650 HydrophobicContact CE-CG2 3.47Å; M584-V650 VanDerWaalsContact CE-CG2 3.47Å; M584-V692 HydrophobicContact CB-CG1 3.69Å; M584-V692 HydrophobicContact CG-CG1 4.15Å; M584-T693 CarbonylContact C-O 3.49Å; M584-T693 VanDerWaalsContact CA-O 3.3Å; M584-T693 WeakPolarHBondContact CA-O 3.33Å; M584-L694 HydrophobicContact CG-CD1 3.74Å; M584-L694 HydrophobicContact SD-CD1 4.38Å
585	T	98.1	Very high	91.4	Very high	25 Å²	25	37.2 Å²	37.2	15%	0.153	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.4	176.9	-59.3	0	0	0	0	110.8	D587 S646 V692 T693 H695	T585-D587 PolarHBondContact O-N 3.41Å; T585-S646 WeakPolarHBondContact CA-O 3.41Å; T585-V692 VanDerWaalsContact O-CA 3.29Å; T585-V692 WeakPolarHBondContact O-CA 3.41Å; T585-T693 PolarHBondContact N-O 3.13Å; T585-T693 PolarHBondContact O-N 2.58Å; T585-H695 PolarHBondContact OG1-CD2 2.97Å; T585-H695 PolarHBondContact OG1-NE2 2.89Å
586	V	97	Very high	91.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	102.9	175.3	-176.5	0	0	0	0	110	Y589 F597 V642 G645 S646 I648	V586-Y589 HydrophobicContact CG1-CG 4.47Å; V586-F597 HydrophobicContact CG2-CZ 4.07Å; V586-V642 HydrophobicContact CG2-CB 4.39Å; V586-G645 PolarHBondContact O-N 2.98Å; V586-S646 PolarHBondContact N-O 3.23Å; V586-I648 HydrophobicContact CG2-CD1 3.41Å; V586-I648 VanDerWaalsContact CG2-CD1 3.41Å
587	D	96.6	Very high	91.9	Very high	48 Å²	48	35 Å²	35	26%	0.257	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-35.8	-178.5	-57.4	-52.8	0	0	0	112.6	T585 K644 Q691 V692 T693	T585-D587 PolarHBondContact O-N 3.41Å; D587-K644 WeakPolarHBondContact O-CD 3.43Å; D587-K644 WeakPolarHBondContact O-CE 3.43Å; D587-K644 WeakPolarHBondContact O-CG 3.47Å; D587-Q691 HydrophobicContact CB-CB 4.22Å; D587-Q691 HydrophobicContact CB-CG 4.03Å; D587-Q691 PolarHBondContact N-O 2.95Å; D587-V692 VanDerWaalsContact OD2-C 3.28Å; D587-T693 WeakPolarHBondContact OD2-CB 2.9Å; D587-T693 PolarHBondContact OD2-N 2.77Å; D587-T693 VanDerWaalsContact OD2-N 3.08Å; D587-T693 PolarHBondContact OD2-OG1 2.83Å
588	R	94.6	Very high	92.3	Very high	79 Å²	79	31.8 Å²	31.8	30%	0.298	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.3	177.8	-176.5	176.2	65.8	-111.6	1.5	109.3	R688 V690 Q691	R588-R688 PolarHBondContact NH2-O 3.04Å; R588-R688 VanDerWaalsContact NH2-O 3.13Å; R588-V690 CarbonylContact O-C 3.59Å; R588-V690 VanDerWaalsContact O-CA 3.31Å; R588-V690 WeakPolarHBondContact O-CA 3.43Å; R588-Q691 HydrophobicContact CB-CB 3.83Å; R588-Q691 PolarHBondContact N-O 3.08Å; R588-Q691 PolarHBondContact O-N 2.81Å
589	Y	93.1	Very high	92.7	Very high	13 Å²	13	30.6 Å²	30.6	5%	0.051	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	110.7	173.2	176.7	-137	0	0	0	110	V586 D594 N623 V642 N689 V690	V586-Y589 HydrophobicContact CG1-CG 4.47Å; Y589-D594 PolarHBondContact OH-OD1 2.95Å; Y589-N623 WeakPolarHBondContact CE1-OD1 3.22Å; Y589-N623 PolarHBondContact OH-OD1 3.43Å; Y589-V642 HydrophobicContact CD1-CG2 4.04Å; Y589-V642 HydrophobicContact CE1-CG2 3.79Å; Y589-V642 WeakPolarHBondContact CE1-O 3.09Å; Y589-N689 WeakPolarHBondContact CA-O 3.4Å; Y589-V690 HydrophobicContact CD2-CG2 3.95Å; Y589-V690 HydrophobicContact CE2-CG2 4.48Å
590	D	86.8	Confident	92.9	Very high	102 Å²	102	29.4 Å²	29.4	55%	0.545	15%	0.146	S	C	.	.			trans	-99.5	25.7	-178.5	-57	-38.3	0	0	0	112.8	H592 N689	D590-H592 PolarHBondContact O-N 2.68Å; D590-N689 HydrophobicContact CB-CB 4.16Å; D590-N689 PolarHBondContact N-O 2.83Å
591	N	71.5	Confident	93	Very high	69 Å²	69	33.9 Å²	33.9	37%	0.369	16%	0.162	S	C	.	.	S	Bend	trans	68.5	6.6	167.8	-51.9	-26.5	0	0	0	118.4	N623	N591-N623 PolarHBondContact ND2-ND2 2.98Å; N591-N623 VanDerWaalsContact ND2-ND2 3.16Å; N591-N623 VanDerWaalsContact OD1-CG 3.29Å; N591-N623 PolarHBondContact OD1-ND2 2.95Å; N591-N623 PolarHBondContact OD1-OD1 3.26Å
592	H	77.3	Confident	93	Very high	144 Å²	144	35.2 Å²	35.2	67%	0.667	18%	0.181	S	C	*	.	S	Bend	trans	-163.7	139.1	170.2	-80.5	80.9	0	0	0	110	D590 N689	D590-H592 PolarHBondContact O-N 2.68Å; H592-N689 WeakPolarHBondContact O-CB 3.29Å; H592-N689 PolarHBondContact O-ND2 2.78Å
593	P	79.9	Confident	92.9	Very high	44 Å²	44	39.7 Å²	39.7	29%	0.286	21%	0.205	S	C	.	.	S	Bend	cis	-65.4	158.7	-24.8	-2.1	8.5	0	0	0	113	N687	P593-N687 VanDerWaalsContact C-ND2 3.35Å; P593-N687 WeakPolarHBondContact CB-ND2 3.23Å; P593-N687 WeakPolarHBondContact CD-ND2 3.48Å; P593-N687 WeakPolarHBondContact CD-OD1 3.38Å; P593-N687 HydrophobicContact CG-CB 4.14Å; P593-N687 WeakPolarHBondContact CG-ND2 3.4Å; P593-N687 PolarHBondContact O-ND2 2.94Å
594	D	90	Very high	92.8	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.102	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-80.6	139	-175.4	-58.6	-20.7	0	0	0	111.8	Y589 M609 Y620 V621 D622	Y589-D594 PolarHBondContact OH-OD1 2.95Å; D594-M609 WeakPolarHBondContact O-CE 3.3Å; D594-Y620 HydrophobicContact CB-CD2 4.39Å; D594-Y620 HydrophobicContact CB-CE2 3.52Å; D594-Y620 WeakPolarHBondContact CB-OH 3.48Å; D594-Y620 VanDerWaalsContact OD2-CZ 3.31Å; D594-Y620 PolarHBondContact OD2-OH 3.4Å; D594-V621 WeakPolarHBondContact CB-O 3.2Å; D594-D622 VanDerWaalsContact OD2-CB 3.22Å; D594-D622 WeakPolarHBondContact OD2-CB 3.34Å
595	P	94.9	Very high	92.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-77	162.9	178.3	31	-34.3	0	0	0	113.4	F597 V621 S685 V690	P595-F597 HydrophobicContact CB-CE2 3.9Å; P595-F597 HydrophobicContact CB-CZ 4.11Å; P595-F597 HydrophobicContact CG-CE2 3.76Å; P595-F597 HydrophobicContact CG-CZ 4.09Å; P595-V621 HydrophobicContact CG-CG1 4.29Å; P595-V621 PolarHBondContact O-N 2.75Å; P595-V621 VanDerWaalsContact O-N 3.15Å; P595-S685 WeakPolarHBondContact CA-O 3.27Å; P595-V690 HydrophobicContact CB-CG1 4.08Å; P595-V690 HydrophobicContact CB-CG2 4.3Å; P595-V690 HydrophobicContact CG-CG1 4.29Å; P595-V690 HydrophobicContact CG-CG2 4.34Å
596	A	97	Very high	92.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.5	169.7	0	0	0	0	0	111.2	M609 L610 A618 M619 I684 S685	A596-M609 HydrophobicContact CB-CG 4.14Å; A596-L610 HydrophobicContact CB-CB 4.09Å; A596-A618 HydrophobicContact CB-CB 4.31Å; A596-M619 VanDerWaalsContact CA-O 3.3Å; A596-M619 WeakPolarHBondContact CA-O 3.42Å; A596-I684 CarbonylContact O-C 3.53Å; A596-I684 WeakPolarHBondContact O-CA 3.44Å; A596-I684 WeakPolarHBondContact O-CG1 3.26Å; A596-S685 PolarHBondContact N-O 2.92Å; A596-S685 VanDerWaalsContact N-O 3.14Å; A596-S685 PolarHBondContact O-N 3.23Å
597	F	98	Very high	92.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.3	-174.5	-57.5	-94.5	0	0	0	109.7	M584 V586 P595 A618 M619 V621 I648 F661 I684 V692	M584-F597 HydrophobicContact CB-CD1 4.24Å; M584-F597 HydrophobicContact CB-CE1 4.19Å; M584-F597 HydrophobicContact CE-CB 4.07Å; M584-F597 HydrophobicContact CE-CD1 3.76Å; M584-F597 HydrophobicContact CE-CG 4.38Å; M584-F597 HydrophobicContact SD-CD1 3.8Å; M584-F597 HydrophobicContact SD-CE1 4.45Å; V586-F597 HydrophobicContact CG2-CZ 4.07Å; P595-F597 HydrophobicContact CB-CE2 3.9Å; P595-F597 HydrophobicContact CB-CZ 4.11Å; P595-F597 HydrophobicContact CG-CE2 3.76Å; P595-F597 HydrophobicContact CG-CZ 4.09Å; F597-A618 CarbonylContact O-C 3.59Å; F597-A618 VanDerWaalsContact O-CA 3.28Å; F597-A618 WeakPolarHBondContact O-CA 3.27Å; F597-M619 PolarHBondContact N-O 2.94Å; F597-M619 PolarHBondContact O-N 2.72Å; F597-V621 HydrophobicContact CD2-CG1 3.82Å; F597-V621 HydrophobicContact CE2-CG1 3.58Å; F597-I648 HydrophobicContact CB-CG2 4Å; F597-I648 HydrophobicContact CD1-CB 4.33Å; F597-I648 HydrophobicContact CD1-CG1 4.36Å; F597-I648 HydrophobicContact CD1-CG2 4.33Å; F597-I648 HydrophobicContact CD2-CG1 4.06Å; F597-I648 HydrophobicContact CD2-CG2 4.36Å; F597-I648 HydrophobicContact CE1-CD1 3.9Å; F597-I648 HydrophobicContact CE1-CG1 4.22Å; F597-I648 HydrophobicContact CE2-CD1 3.94Å; F597-I648 HydrophobicContact CE2-CG1 3.95Å; F597-I648 HydrophobicContact CG-CB 4.39Å; F597-I648 HydrophobicContact CG-CG1 4.27Å; F597-I648 HydrophobicContact CG-CG2 4Å; F597-I648 HydrophobicContact CZ-CD1 3.6Å; F597-I648 HydrophobicContact CZ-CG1 4.04Å; F597-F661 WeakPolarHBondContact O-CE1 3.39Å; F597-I684 HydrophobicContact CD1-CD1 3.68Å; F597-I684 HydrophobicContact CD1-CG1 3.97Å; F597-I684 HydrophobicContact CE1-CD1 3.36Å; F597-I684 HydrophobicContact CE1-CG1 4.1Å; F597-I684 HydrophobicContact CZ-CD1 4.1Å; F597-V692 HydrophobicContact CE1-CG1 4.11Å; F597-V692 HydrophobicContact CE1-CG2 3.97Å; F597-V692 HydrophobicContact CZ-CG2 4.15Å
598	G	97.8	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	-151	-173.9	0	0	0	0	0	115.5	W617 A683	G598-W617 VanDerWaalsContact CA-O 3.26Å; G598-W617 WeakPolarHBondContact CA-O 3.32Å; G598-A683 CarbonylContact C-O 3.46Å; G598-A683 PolarHBondContact N-O 3.08Å; G598-A683 PolarHBondContact O-N 2.91Å; G598-A683 VanDerWaalsContact O-O 3.07Å
599	I	98.2	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.2	175	66.4	177.2	0	0	0	109.9	W582 A616 W617 L652 L659 L676 Y680 Y681	W582-I599 HydrophobicContact CH2-CG2 3.63Å; W582-I599 HydrophobicContact CZ2-CG2 3.85Å; I599-A616 WeakPolarHBondContact O-CA 3.43Å; I599-W617 HydrophobicContact CG1-CB 3.94Å; I599-W617 HydrophobicContact CG1-CE3 4.38Å; I599-W617 PolarHBondContact N-O 3.33Å; I599-W617 PolarHBondContact O-N 2.81Å; I599-L652 HydrophobicContact CD1-CD1 3.97Å; I599-L652 HydrophobicContact CD1-CD2 4.39Å; I599-L652 HydrophobicContact CG2-CD2 4.31Å; I599-L659 HydrophobicContact CD1-CD1 4.4Å; I599-L659 HydrophobicContact CD1-CD2 3.83Å; I599-L659 HydrophobicContact CG1-CD2 3.82Å; I599-L659 HydrophobicContact CG2-CD1 4.21Å; I599-L659 HydrophobicContact CG2-CD2 4.48Å; I599-L676 HydrophobicContact CD1-CD1 3.96Å; I599-L676 HydrophobicContact CD1-CD2 4.45Å; I599-Y680 HydrophobicContact CD1-CD1 4.01Å; I599-Y680 HydrophobicContact CD1-CD2 4.27Å; I599-Y680 HydrophobicContact CD1-CG 3.85Å; I599-Y680 HydrophobicContact CG1-CD1 4.32Å; I599-Y680 HydrophobicContact CG1-CG 4.47Å; I599-Y681 CarbonylContact C-O 3.59Å; I599-Y681 WeakPolarHBondContact CA-O 3.49Å
600	C	97.7	Very high	92.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	168.1	175.3	71.6	0	0	0	0	113	L570 V604 L610 K615 A616 Y680 Y681 A683	L570-C600 WeakPolarHBondContact CD2-SG 3.48Å; L570-C600 VanDerWaalsContact CG-SG 3.55Å; C600-V604 HydrophobicContact CB-CB 3.94Å; C600-V604 HydrophobicContact CB-CG1 4.14Å; C600-V604 HydrophobicContact CB-CG2 3.93Å; C600-L610 HydrophobicContact CB-CD1 4.08Å; C600-K615 CarbonylContact C-O 3.59Å; C600-K615 VanDerWaalsContact CA-O 3.23Å; C600-K615 WeakPolarHBondContact CA-O 3.34Å; C600-K615 WeakPolarHBondContact CB-O 3.08Å; C600-A616 HydrophobicContact CB-CB 3.99Å; C600-Y680 CarbonylContact O-C 3.53Å; C600-Y680 WeakPolarHBondContact O-CA 3.17Å; C600-Y681 PolarHBondContact N-O 3.29Å; C600-Y681 PolarHBondContact O-N 3.46Å; C600-A683 HydrophobicContact CB-CB 4.08Å; C600-A683 VanDerWaalsContact SG-CB 3.57Å
601	R	96.7	Very high	93.1	Very high	108 Å²	108	40 Å²	40	41%	0.408	21%	0.212	S	C	.	.			trans	-80.8	159.6	166.1	-63.7	-176.1	173.2	-167.9	-2.6	110.3	D603 V604 K615 W617 E677 Y680	R601-D603 WeakPolarHBondContact CB-OD1 3.4Å; R601-D603 PolarHBondContact O-N 2.62Å; R601-V604 WeakPolarHBondContact O-CB 3.09Å; R601-V604 PolarHBondContact O-N 3.24Å; R601-K615 HydrophobicContact CB-CB 4.36Å; R601-K615 PolarHBondContact N-O 3.04Å; R601-W617 HydrophobicContact CG-CZ3 4.19Å; R601-E677 PolarHBondContact NH2-O 2.96Å; R601-Y680 HydrophobicContact CG-CD1 4.31Å; R601-Y680 HydrophobicContact CG-CE1 4.19Å
602	G	94.5	Very high	94.3	Very high	44 Å²	44	40.7 Å²	40.7	45%	0.454	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.3	-176.7	0	0	0	0	0	114.5
603	D	95.1	Very high	95.2	Very high	95 Å²	95	34.4 Å²	34.4	51%	0.508	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	21.9	-179.2	69.9	-38.7	0	0	0	113.7	R601 K615	R601-D603 WeakPolarHBondContact CB-OD1 3.4Å; R601-D603 PolarHBondContact O-N 2.62Å; D603-K615 WeakPolarHBondContact O-CD 3.25Å; D603-K615 PolarHBondContact O-NZ 3.09Å; D603-K615 WeakPolarHBondContact OD2-CE 3.32Å; D603-K615 IonicContact OD2-NZ 3.92Å; D603-K615 PolarHBondContact OD2-NZ 3.13Å
604	V	97.1	Very high	95.9	Very high	8 Å²	8	37 Å²	37	5%	0.048	19%	0.194	C	C	.	.			trans	-57.6	148.1	172.8	71.3	0	0	0	0	112.1	V568 L570 C600 R601 K606 D613 K615 A616	V568-V604 HydrophobicContact CG1-CG1 4.06Å; L570-V604 HydrophobicContact CD1-CG1 3.95Å; L570-V604 HydrophobicContact CD2-CG1 4.34Å; L570-V604 HydrophobicContact CG-CG1 4.49Å; C600-V604 HydrophobicContact CB-CB 3.94Å; C600-V604 HydrophobicContact CB-CG1 4.14Å; C600-V604 HydrophobicContact CB-CG2 3.93Å; R601-V604 WeakPolarHBondContact O-CB 3.09Å; R601-V604 PolarHBondContact O-N 3.24Å; V604-K606 PolarHBondContact O-N 3.43Å; V604-D613 VanDerWaalsContact CG2-OD2 3.28Å; V604-D613 WeakPolarHBondContact CG2-OD2 3.38Å; V604-K615 HydrophobicContact CB-CB 4.33Å; V604-K615 HydrophobicContact CG2-CB 4.36Å; V604-A616 HydrophobicContact CG2-CB 3.96Å
605	L	96.7	Very high	96.3	Very high	97 Å²	97	38.6 Å²	38.6	51%	0.508	20%	0.2	S	C	.	.			trans	-69.9	123.3	171.6	-66.5	-179.7	0	0	0	110.5	V568 V608 D613	V568-L605 WeakPolarHBondContact CG2-O 3.33Å; L605-V608 HydrophobicContact CB-CG2 3.56Å; L605-V608 HydrophobicContact CD1-CG2 4.42Å; L605-D613 WeakPolarHBondContact CB-OD2 3.32Å; L605-D613 HydrophobicContact CD1-CB 4.17Å; L605-D613 HydrophobicContact CG-CB 4.42Å; L605-D613 PolarHBondContact N-OD2 3.18Å
606	K	96.2	Very high	96.4	Very high	61 Å²	61	38.6 Å²	38.6	27%	0.265	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-14.9	-175	-64.4	170.5	-173.9	162.8	0	114.6	S545 R567 V568 V604	S545-K606 WeakPolarHBondContact O-CD 3.37Å; S545-K606 WeakPolarHBondContact O-CE 3.23Å; S545-K606 PolarHBondContact O-NZ 2.96Å; R567-K606 VanDerWaalsContact CA-O 3.32Å; R567-K606 WeakPolarHBondContact CA-O 3.49Å; V568-K606 PolarHBondContact N-O 2.95Å; V604-K606 PolarHBondContact O-N 3.43Å
607	D	95.2	Very high	96.4	Very high	91 Å²	91	40 Å²	40	49%	0.487	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	20.1	-175.8	-62.1	-40.4	0	0	0	113.2	H547 D566 R567	H547-D607 IonicContact CD2-OD1 2.72Å; H547-D607 PolarHBondContact CD2-OD1 2.9Å; H547-D607 IonicContact CG-OD1 3.09Å; H547-D607 IonicContact NE2-OD1 3.33Å; H547-D607 PolarHBondContact NE2-OD1 2.76Å; D566-D607 CarbonylContact O-C 3.53Å; R567-D607 IonicContact CZ-OD1 3.89Å; R567-D607 IonicContact NE-OD1 3.89Å; R567-D607 IonicContact NH1-OD1 3.21Å; R567-D607 PolarHBondContact NH1-OD1 2.77Å
608	V	94.1	Very high	96.4	Very high	45 Å²	45	40 Å²	40	27%	0.273	21%	0.205	S	C	.	.	S	Bend	trans	-136.3	164.6	177.9	-59.5	0	0	0	0	109.3	V568 L605 K612	V568-V608 VanDerWaalsContact CG2-O 3.25Å; V568-V608 WeakPolarHBondContact CG2-O 3.41Å; L605-V608 HydrophobicContact CB-CG2 3.56Å; L605-V608 HydrophobicContact CD1-CG2 4.42Å; V608-K612 HydrophobicContact CB-CB 4.45Å; V608-K612 HydrophobicContact CB-CD 4.41Å; V608-K612 HydrophobicContact CG2-CB 4.35Å
609	M	94.9	Very high	96.4	Very high	13 Å²	13	40 Å²	40	6%	0.064	21%	0.205	C	C	.	.			trans	-65.1	142.1	171.7	-179	179.6	-76.6	0	0	111.2	D566 D594 A596 G611 K612 Y620 M629	D566-M609 HydrophobicContact CB-CB 4.06Å; D566-M609 WeakPolarHBondContact OD2-CE 3.5Å; D594-M609 WeakPolarHBondContact O-CE 3.3Å; A596-M609 HydrophobicContact CB-CG 4.14Å; M609-G611 PolarHBondContact O-N 3.46Å; M609-K612 HydrophobicContact CB-CD 3.83Å; M609-K612 HydrophobicContact CB-CG 4.08Å; M609-K612 WeakPolarHBondContact O-CB 3.43Å; M609-K612 PolarHBondContact O-N 2.59Å; M609-K612 VanDerWaalsContact O-N 3.13Å; M609-Y620 HydrophobicContact CE-CD2 4.03Å; M609-Y620 HydrophobicContact CE-CE2 3.66Å; M609-Y620 HydrophobicContact SD-CD2 3.45Å; M609-Y620 WeakPolarHBondContact SD-CD2 3.27Å; M609-Y620 HydrophobicContact SD-CE2 3.63Å; M609-M629 HydrophobicContact SD-CE 3.78Å; M609-M629 HydrophobicContact SD-SD 4.45Å
610	L	97.3	Very high	96.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	129.7	179.1	-168.4	73.3	0	0	0	110.2	V568 A596 C600 A616 A618 A683 S685	V568-L610 HydrophobicContact CG1-CD1 3.76Å; V568-L610 HydrophobicContact CG2-CB 4.28Å; V568-L610 HydrophobicContact CG2-CD1 4.09Å; A596-L610 HydrophobicContact CB-CB 4.09Å; C600-L610 HydrophobicContact CB-CD1 4.08Å; L610-A616 HydrophobicContact CD1-CB 3.52Å; L610-A616 HydrophobicContact CG-CB 3.94Å; L610-A618 HydrophobicContact CB-CB 4.2Å; L610-A618 HydrophobicContact CD2-CB 3.75Å; L610-A618 HydrophobicContact CG-CB 3.79Å; L610-A683 HydrophobicContact CD1-CB 3.74Å; L610-A683 HydrophobicContact CD2-CB 3.86Å; L610-A683 HydrophobicContact CG-CB 4.49Å; L610-S685 WeakPolarHBondContact CB-OG 3.16Å; L610-S685 VanDerWaalsContact N-CB 3.3Å; L610-S685 PolarHBondContact N-OG 2.84Å
611	G	96.1	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-5.1	-176.3	0	0	0	0	0	114.7	M609 A616 H630 N631 N632	M609-G611 PolarHBondContact O-N 3.46Å; G611-A616 VanDerWaalsContact N-CB 3.32Å; G611-H630 CarbonylContact O-C 3.54Å; G611-H630 VanDerWaalsContact O-CA 3.32Å; G611-H630 WeakPolarHBondContact O-CA 3.3Å; G611-N631 PolarHBondContact O-N 2.84Å; G611-N632 PolarHBondContact O-N 2.92Å
612	K	96.1	Very high	95.9	Very high	85 Å²	85	37.6 Å²	37.6	37%	0.37	20%	0.198	S	C	.	.	S	Bend	trans	-73.6	-26.6	172.8	-76.3	-173.2	175.2	166.1	0	113.7	V608 M609 M629 N632	V608-K612 HydrophobicContact CB-CB 4.45Å; V608-K612 HydrophobicContact CB-CD 4.41Å; V608-K612 HydrophobicContact CG2-CB 4.35Å; M609-K612 HydrophobicContact CB-CD 3.83Å; M609-K612 HydrophobicContact CB-CG 4.08Å; M609-K612 WeakPolarHBondContact O-CB 3.43Å; M609-K612 PolarHBondContact O-N 2.59Å; M609-K612 VanDerWaalsContact O-N 3.13Å; K612-M629 HydrophobicContact CG-SD 4.08Å; K612-N632 WeakPolarHBondContact O-CB 3.08Å; K612-N632 PolarHBondContact O-N 2.92Å
613	D	95.6	Very high	95.8	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.064	19%	0.191	C	C	.	.	S	Bend	trans	-98.3	175.1	173.6	70.9	11.1	0	0	0	111.7	V604 L605 K615 A616 N631	V604-D613 VanDerWaalsContact CG2-OD2 3.28Å; V604-D613 WeakPolarHBondContact CG2-OD2 3.38Å; L605-D613 WeakPolarHBondContact CB-OD2 3.32Å; L605-D613 HydrophobicContact CD1-CB 4.17Å; L605-D613 HydrophobicContact CG-CB 4.42Å; L605-D613 PolarHBondContact N-OD2 3.18Å; D613-K615 PolarHBondContact O-N 3.44Å; D613-K615 PolarHBondContact OD1-N 2.87Å; D613-A616 PolarHBondContact OD1-N 2.89Å; D613-A616 VanDerWaalsContact OD1-N 3.14Å; D613-N631 VanDerWaalsContact O-CA 3.24Å; D613-N631 WeakPolarHBondContact O-CA 3.4Å; D613-N631 PolarHBondContact O-N 2.83Å
614	D	95.9	Very high	95.6	Very high	97 Å²	97	39.2 Å²	39.2	52%	0.519	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	8.2	178	63.3	-22.2	0	0	0	113.3	H630 N631	D614-H630 PolarHBondContact O-CE1 2.75Å; D614-N631 HydrophobicContact CB-CB 4.36Å
615	K	96.9	Very high	95.5	Very high	54 Å²	54	42.2 Å²	42.2	24%	0.235	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	0.1	-174.3	-56.4	179.7	-171.8	-173.8	0	113.2	C600 R601 D603 V604 D613 W617	C600-K615 CarbonylContact C-O 3.59Å; C600-K615 VanDerWaalsContact CA-O 3.23Å; C600-K615 WeakPolarHBondContact CA-O 3.34Å; C600-K615 WeakPolarHBondContact CB-O 3.08Å; R601-K615 HydrophobicContact CB-CB 4.36Å; R601-K615 PolarHBondContact N-O 3.04Å; D603-K615 WeakPolarHBondContact O-CD 3.25Å; D603-K615 PolarHBondContact O-NZ 3.09Å; D603-K615 WeakPolarHBondContact OD2-CE 3.32Å; D603-K615 IonicContact OD2-NZ 3.92Å; D603-K615 PolarHBondContact OD2-NZ 3.13Å; V604-K615 HydrophobicContact CB-CB 4.33Å; V604-K615 HydrophobicContact CG2-CB 4.36Å; D613-K615 PolarHBondContact O-N 3.44Å; D613-K615 PolarHBondContact OD1-N 2.87Å; K615-W617 WeakPolarHBondContact O-CZ3 3.38Å
616	A	97.2	Very high	95.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.2	179.9	0	0	0	0	0	112.1	I599 C600 V604 L610 G611 D613 H630	I599-A616 WeakPolarHBondContact O-CA 3.43Å; C600-A616 HydrophobicContact CB-CB 3.99Å; V604-A616 HydrophobicContact CG2-CB 3.96Å; L610-A616 HydrophobicContact CD1-CB 3.52Å; L610-A616 HydrophobicContact CG-CB 3.94Å; G611-A616 VanDerWaalsContact N-CB 3.32Å; D613-A616 PolarHBondContact OD1-N 2.89Å; D613-A616 VanDerWaalsContact OD1-N 3.14Å; A616-H630 PolarHBondContact O-ND1 3.23Å
617	W	97.9	Very high	95.4	Very high	28 Å²	28	36.2 Å²	36.2	11%	0.106	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.7	176.7	-65.5	-98.5	0	0	0	107.1	G598 I599 R601 K615 H630 L659 F673 L676 Y680	G598-W617 VanDerWaalsContact CA-O 3.26Å; G598-W617 WeakPolarHBondContact CA-O 3.32Å; I599-W617 HydrophobicContact CG1-CB 3.94Å; I599-W617 HydrophobicContact CG1-CE3 4.38Å; I599-W617 PolarHBondContact N-O 3.33Å; I599-W617 PolarHBondContact O-N 2.81Å; R601-W617 HydrophobicContact CG-CZ3 4.19Å; K615-W617 WeakPolarHBondContact O-CZ3 3.38Å; W617-H630 AromaticContact CD1-CG 3.92Å; W617-H630 AromaticContact CD1-ND1 3.68Å; W617-H630 AromaticContact CD2-ND1 3.92Å; W617-H630 AromaticContact CE2-CE1 3.49Å; W617-H630 VanDerWaalsContact CE2-CE1 3.49Å; W617-H630 AromaticContact CE2-ND1 3.61Å; W617-H630 AromaticContact CG-ND1 3.98Å; W617-H630 AromaticContact CZ2-CE1 3.58Å; W617-H630 AromaticContact NE1-CE1 3.51Å; W617-H630 AromaticContact NE1-CG 3.88Å; W617-H630 AromaticContact NE1-ND1 3.47Å; W617-H630 PolarHBondContact NE1-ND1 2.89Å; W617-H630 AromaticContact NE1-NE2 3.96Å; W617-L659 HydrophobicContact CB-CD2 4.13Å; W617-F673 HydrophobicContact CB-CD2 3.83Å; W617-F673 HydrophobicContact CB-CE2 3.8Å; W617-F673 HydrophobicContact CB-CG 4.2Å; W617-F673 HydrophobicContact CB-CZ 4.16Å; W617-F673 AromaticContact CD1-CD1 3.51Å; W617-F673 AromaticContact CD1-CE1 3.86Å; W617-F673 AromaticContact CD1-CG 3.63Å; W617-F673 HydrophobicContact CG-CD1 4.44Å; W617-F673 HydrophobicContact CG-CD2 4.41Å; W617-F673 HydrophobicContact CG-CG 4.29Å; W617-L676 HydrophobicContact CD2-CD2 4.11Å; W617-L676 HydrophobicContact CG-CD2 4.1Å; W617-Y680 HydrophobicContact CD2-CE1 4.43Å; W617-Y680 HydrophobicContact CE3-CD1 4.12Å; W617-Y680 AromaticContact CE3-CE1 3.67Å; W617-Y680 HydrophobicContact CE3-CE1 3.67Å; W617-Y680 AromaticContact CH2-CE1 3.68Å; W617-Y680 HydrophobicContact CH2-CE1 3.68Å; W617-Y680 HydrophobicContact CZ2-CE1 4.37Å; W617-Y680 AromaticContact CZ3-CD1 3.95Å; W617-Y680 HydrophobicContact CZ3-CD1 3.95Å; W617-Y680 AromaticContact CZ3-CE1 3.29Å; W617-Y680 HydrophobicContact CZ3-CE1 3.29Å
618	A	97.9	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.3	-167.3	0	0	0	0	0	113.1	A596 F597 L610 F628 M629	A596-A618 HydrophobicContact CB-CB 4.31Å; F597-A618 CarbonylContact O-C 3.59Å; F597-A618 VanDerWaalsContact O-CA 3.28Å; F597-A618 WeakPolarHBondContact O-CA 3.27Å; L610-A618 HydrophobicContact CB-CB 4.2Å; L610-A618 HydrophobicContact CD2-CB 3.75Å; L610-A618 HydrophobicContact CG-CB 3.79Å; A618-F628 CarbonylContact O-C 3.46Å; A618-F628 WeakPolarHBondContact O-CA 3.44Å; A618-M629 PolarHBondContact N-O 3.03Å; A618-M629 PolarHBondContact O-N 3.11Å
619	M	97.5	Very high	95.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.9	160.3	-177.6	176.8	67.1	0	0	108.5	A596 F597 W627 F628 I648 F661 I663 Q668	A596-M619 VanDerWaalsContact CA-O 3.3Å; A596-M619 WeakPolarHBondContact CA-O 3.42Å; F597-M619 PolarHBondContact N-O 2.94Å; F597-M619 PolarHBondContact O-N 2.72Å; M619-W627 CarbonylContact C-O 3.37Å; M619-W627 VanDerWaalsContact CA-O 3.27Å; M619-W627 WeakPolarHBondContact CA-O 3.28Å; M619-F628 HydrophobicContact CB-CD1 4.45Å; M619-F628 HydrophobicContact CG-CD1 4.46Å; M619-I648 HydrophobicContact CE-CG2 3.91Å; M619-F661 HydrophobicContact CB-CB 4.32Å; M619-F661 HydrophobicContact CB-CD1 3.95Å; M619-F661 HydrophobicContact CB-CD2 3.72Å; M619-F661 HydrophobicContact CB-CE1 4.15Å; M619-F661 HydrophobicContact CB-CE2 3.92Å; M619-F661 HydrophobicContact CB-CG 3.72Å; M619-F661 HydrophobicContact CB-CZ 4.13Å; M619-F661 HydrophobicContact CE-CB 3.84Å; M619-F661 HydrophobicContact CE-CD1 4.35Å; M619-F661 HydrophobicContact CE-CG 4.25Å; M619-F661 HydrophobicContact CG-CG 4.46Å; M619-F661 HydrophobicContact SD-CB 3.55Å; M619-F661 VanDerWaalsContact SD-CB 3.55Å; M619-F661 HydrophobicContact SD-CG 4.03Å; M619-I663 HydrophobicContact CE-CD1 3.93Å; M619-I663 HydrophobicContact CE-CG1 3.84Å; M619-I663 HydrophobicContact SD-CD1 4.36Å; M619-Q668 HydrophobicContact SD-CB 3.79Å; M619-Q668 HydrophobicContact SD-CG 3.83Å
620	Y	94	Very high	95.7	Very high	44 Å²	44	31.8 Å²	31.8	17%	0.173	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.6	168.6	170.5	-99.2	0	0	0	109	D594 M609 S626 W627 M629	D594-Y620 HydrophobicContact CB-CD2 4.39Å; D594-Y620 HydrophobicContact CB-CE2 3.52Å; D594-Y620 WeakPolarHBondContact CB-OH 3.48Å; D594-Y620 VanDerWaalsContact OD2-CZ 3.31Å; D594-Y620 PolarHBondContact OD2-OH 3.4Å; M609-Y620 HydrophobicContact CE-CD2 4.03Å; M609-Y620 HydrophobicContact CE-CE2 3.66Å; M609-Y620 HydrophobicContact SD-CD2 3.45Å; M609-Y620 WeakPolarHBondContact SD-CD2 3.27Å; M609-Y620 HydrophobicContact SD-CE2 3.63Å; Y620-S626 CarbonylContact O-C 3.58Å; Y620-S626 WeakPolarHBondContact O-CA 3.33Å; Y620-W627 HydrophobicContact CD1-CD2 4.31Å; Y620-W627 AromaticContact CD1-CE3 3.49Å; Y620-W627 HydrophobicContact CD1-CE3 3.49Å; Y620-W627 VanDerWaalsContact CD1-CE3 3.49Å; Y620-W627 AromaticContact CD1-CZ3 3.88Å; Y620-W627 HydrophobicContact CD1-CZ3 3.88Å; Y620-W627 AromaticContact CE1-CE3 3.85Å; Y620-W627 HydrophobicContact CE1-CE3 3.85Å; Y620-W627 AromaticContact CE1-CZ3 3.73Å; Y620-W627 HydrophobicContact CE1-CZ3 3.73Å; Y620-W627 PolarHBondContact N-O 2.82Å; Y620-W627 PolarHBondContact O-N 2.85Å; Y620-M629 HydrophobicContact CD1-CE 4.49Å; Y620-M629 HydrophobicContact CD2-CE 3.91Å; Y620-M629 HydrophobicContact CG-CE 3.75Å
621	V	93.9	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	123.4	-170.7	64.9	0	0	0	0	113	D594 P595 F597 V642 I663	D594-V621 WeakPolarHBondContact CB-O 3.2Å; P595-V621 HydrophobicContact CG-CG1 4.29Å; P595-V621 PolarHBondContact O-N 2.75Å; P595-V621 VanDerWaalsContact O-N 3.15Å; F597-V621 HydrophobicContact CD2-CG1 3.82Å; F597-V621 HydrophobicContact CE2-CG1 3.58Å; V621-V642 HydrophobicContact CB-CG1 4.43Å; V621-V642 HydrophobicContact CB-CG2 4.49Å; V621-V642 HydrophobicContact CG1-CB 4.47Å; V621-V642 HydrophobicContact CG1-CG1 3.85Å; V621-V642 HydrophobicContact CG1-CG2 3.79Å; V621-V642 HydrophobicContact CG2-CB 4.33Å; V621-V642 HydrophobicContact CG2-CG1 3.72Å; V621-V642 HydrophobicContact CG2-CG2 4.06Å; V621-I663 HydrophobicContact CG2-CD1 3.87Å
622	D	93	Very high	95.6	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.08	20%	0.199	C	C	.	.			trans	-97.3	-170.4	173	80.1	19.5	0	0	0	110.7	D594 N624 R625 W627 G641 V642	D594-D622 VanDerWaalsContact OD2-CB 3.22Å; D594-D622 WeakPolarHBondContact OD2-CB 3.34Å; D622-N624 VanDerWaalsContact C-N 3.25Å; D622-N624 PolarHBondContact O-N 3.41Å; D622-N624 WeakPolarHBondContact OD1-CA 3.33Å; D622-N624 PolarHBondContact OD1-N 2.87Å; D622-R625 PolarHBondContact N-O 3.02Å; D622-R625 PolarHBondContact OD1-N 3.14Å; D622-R625 IonicContact OD1-NE 2.84Å; D622-R625 IonicContact OD2-CZ 3.45Å; D622-R625 IonicContact OD2-NE 3.83Å; D622-R625 PolarHBondContact OD2-NE 3.29Å; D622-R625 VanDerWaalsContact OD2-NE 3.09Å; D622-R625 IonicContact OD2-NH2 2.69Å; D622-R625 PolarHBondContact OD2-NH2 2.76Å; D622-W627 HydrophobicContact CB-CZ3 4.2Å; D622-W627 VanDerWaalsContact OD2-CH2 3.23Å; D622-W627 WeakPolarHBondContact OD2-CH2 3.3Å; D622-G641 CarbonylContact O-C 3.59Å; D622-G641 WeakPolarHBondContact O-CA 3.31Å; D622-V642 PolarHBondContact O-N 2.94Å
623	N	92.3	Very high	95.6	Very high	58 Å²	58	40.4 Å²	40.4	31%	0.31	20%	0.204	S	C	.	.	S	Bend	trans	-63.8	-25.2	179.5	-77.8	43.2	0	0	0	115.7	Y589 N591	Y589-N623 WeakPolarHBondContact CE1-OD1 3.22Å; Y589-N623 PolarHBondContact OH-OD1 3.43Å; N591-N623 PolarHBondContact ND2-ND2 2.98Å; N591-N623 VanDerWaalsContact ND2-ND2 3.16Å; N591-N623 VanDerWaalsContact OD1-CG 3.29Å; N591-N623 PolarHBondContact OD1-ND2 2.95Å; N591-N623 PolarHBondContact OD1-OD1 3.26Å
624	N	92.3	Very high	95.6	Very high	114 Å²	114	44.2 Å²	44.2	61%	0.61	22%	0.221	S	C	*	.	S	Bend	trans	-120.7	-22.2	-168.5	-59.9	-56	0	0	0	112.6	D622 G640 G641	D622-N624 VanDerWaalsContact C-N 3.25Å; D622-N624 PolarHBondContact O-N 3.41Å; D622-N624 WeakPolarHBondContact OD1-CA 3.33Å; D622-N624 PolarHBondContact OD1-N 2.87Å; N624-G640 PolarHBondContact O-N 3.01Å; N624-G641 VanDerWaalsContact C-N 3.31Å; N624-G641 PolarHBondContact O-N 3.21Å
625	R	94.4	Very high	95.5	Very high	72 Å²	72	42.5 Å²	42.5	27%	0.272	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.7	-163	-59.3	168.4	-64.1	-166.7	10.5	112	D622 W627 T638	D622-R625 PolarHBondContact N-O 3.02Å; D622-R625 PolarHBondContact OD1-N 3.14Å; D622-R625 IonicContact OD1-NE 2.84Å; D622-R625 IonicContact OD2-CZ 3.45Å; D622-R625 IonicContact OD2-NE 3.83Å; D622-R625 PolarHBondContact OD2-NE 3.29Å; D622-R625 VanDerWaalsContact OD2-NE 3.09Å; D622-R625 IonicContact OD2-NH2 2.69Å; D622-R625 PolarHBondContact OD2-NH2 2.76Å; R625-W627 HydrophobicContact CB-CE3 4.37Å; R625-W627 HydrophobicContact CB-CH2 3.6Å; R625-W627 HydrophobicContact CB-CZ2 4.01Å; R625-W627 HydrophobicContact CB-CZ3 3.79Å; R625-W627 HydrophobicContact CG-CH2 4.42Å; R625-W627 VanDerWaalsContact NE-CH2 3.3Å; R625-T638 VanDerWaalsContact CA-O 3.31Å; R625-T638 WeakPolarHBondContact CA-O 3.33Å
626	S	95.4	Very high	95.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153.1	173.7	61.3	0	0	0	0	111.3	Y620 R637 T638 Q668	Y620-S626 CarbonylContact O-C 3.58Å; Y620-S626 WeakPolarHBondContact O-CA 3.33Å; S626-R637 WeakPolarHBondContact O-CA 3.44Å; S626-T638 PolarHBondContact N-O 3.11Å; S626-T638 PolarHBondContact O-N 3.37Å; S626-Q668 PolarHBondContact OG-OE1 2.93Å; S626-Q668 VanDerWaalsContact OG-OE1 3.05Å
627	W	95.3	Very high	95.2	Very high	32 Å²	32	50.5 Å²	50.5	12%	0.121	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.1	174.9	-61.5	-101.1	0	0	0	110.3	M619 Y620 D622 R625 R637	M619-W627 CarbonylContact C-O 3.37Å; M619-W627 VanDerWaalsContact CA-O 3.27Å; M619-W627 WeakPolarHBondContact CA-O 3.28Å; Y620-W627 HydrophobicContact CD1-CD2 4.31Å; Y620-W627 AromaticContact CD1-CE3 3.49Å; Y620-W627 HydrophobicContact CD1-CE3 3.49Å; Y620-W627 VanDerWaalsContact CD1-CE3 3.49Å; Y620-W627 AromaticContact CD1-CZ3 3.88Å; Y620-W627 HydrophobicContact CD1-CZ3 3.88Å; Y620-W627 AromaticContact CE1-CE3 3.85Å; Y620-W627 HydrophobicContact CE1-CE3 3.85Å; Y620-W627 AromaticContact CE1-CZ3 3.73Å; Y620-W627 HydrophobicContact CE1-CZ3 3.73Å; Y620-W627 PolarHBondContact N-O 2.82Å; Y620-W627 PolarHBondContact O-N 2.85Å; D622-W627 HydrophobicContact CB-CZ3 4.2Å; D622-W627 VanDerWaalsContact OD2-CH2 3.23Å; D622-W627 WeakPolarHBondContact OD2-CH2 3.3Å; R625-W627 HydrophobicContact CB-CE3 4.37Å; R625-W627 HydrophobicContact CB-CH2 3.6Å; R625-W627 HydrophobicContact CB-CZ2 4.01Å; R625-W627 HydrophobicContact CB-CZ3 3.79Å; R625-W627 HydrophobicContact CG-CH2 4.42Å; R625-W627 VanDerWaalsContact NE-CH2 3.3Å; W627-R637 VanDerWaalsContact CD1-CB 3.43Å; W627-R637 HydrophobicContact CD2-CG 4.46Å; W627-R637 HydrophobicContact CG-CB 4.38Å; W627-R637 HydrophobicContact CZ2-CG 4.15Å; W627-R637 VanDerWaalsContact NE1-CB 3.31Å; W627-R637 VanDerWaalsContact NE1-CD 3.31Å
628	F	97.4	Very high	95	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.7	167.7	-51.2	-33.7	0	0	0	109.9	A618 M619 H634 T635 N636 F661 Q668 A672 F673	A618-F628 CarbonylContact O-C 3.46Å; A618-F628 WeakPolarHBondContact O-CA 3.44Å; M619-F628 HydrophobicContact CB-CD1 4.45Å; M619-F628 HydrophobicContact CG-CD1 4.46Å; F628-H634 CarbonylContact O-C 3.58Å; F628-H634 WeakPolarHBondContact O-CA 3.44Å; F628-T635 PolarHBondContact N-O 3.17Å; F628-T635 PolarHBondContact O-N 2.95Å; F628-N636 HydrophobicContact CD2-CB 3.53Å; F628-N636 HydrophobicContact CE2-CB 3.58Å; F628-N636 HydrophobicContact CG-CB 4.43Å; F628-F661 HydrophobicContact CD1-CD2 4.09Å; F628-F661 HydrophobicContact CD1-CE2 4.46Å; F628-F661 AromaticContact CE1-CD2 3.92Å; F628-F661 HydrophobicContact CE1-CD2 3.92Å; F628-Q668 WeakPolarHBondContact CZ-O 3.43Å; F628-A672 HydrophobicContact CD1-CB 3.74Å; F628-A672 HydrophobicContact CD2-CB 3.81Å; F628-A672 HydrophobicContact CE1-CB 3.57Å; F628-A672 HydrophobicContact CE2-CB 3.66Å; F628-A672 HydrophobicContact CG-CB 3.86Å; F628-A672 HydrophobicContact CZ-CB 3.51Å; F628-F673 HydrophobicContact CB-CE1 4.46Å; F628-F673 HydrophobicContact CB-CE2 4.21Å; F628-F673 HydrophobicContact CB-CZ 3.84Å
629	M	96.7	Very high	94.7	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.7	-177.4	-164.1	-168.3	-67.5	0	0	111.1	M609 K612 A618 Y620 S633 H634	M609-M629 HydrophobicContact SD-CE 3.78Å; M609-M629 HydrophobicContact SD-SD 4.45Å; K612-M629 HydrophobicContact CG-SD 4.08Å; A618-M629 PolarHBondContact N-O 3.03Å; A618-M629 PolarHBondContact O-N 3.11Å; Y620-M629 HydrophobicContact CD1-CE 4.49Å; Y620-M629 HydrophobicContact CD2-CE 3.91Å; Y620-M629 HydrophobicContact CG-CE 3.75Å; M629-S633 WeakPolarHBondContact CA-O 3.48Å; M629-H634 WeakPolarHBondContact CE-NE2 3.34Å
630	H	96.9	Very high	94.2	Very high	53 Å²	53	58.6 Å²	58.6	25%	0.245	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	136.6	171.5	173.1	69.1	0	0	0	109.2	G611 D614 A616 W617 N632 S633 F673	G611-H630 CarbonylContact O-C 3.54Å; G611-H630 VanDerWaalsContact O-CA 3.32Å; G611-H630 WeakPolarHBondContact O-CA 3.3Å; D614-H630 PolarHBondContact O-CE1 2.75Å; A616-H630 PolarHBondContact O-ND1 3.23Å; W617-H630 AromaticContact CD1-CG 3.92Å; W617-H630 AromaticContact CD1-ND1 3.68Å; W617-H630 AromaticContact CD2-ND1 3.92Å; W617-H630 AromaticContact CE2-CE1 3.49Å; W617-H630 VanDerWaalsContact CE2-CE1 3.49Å; W617-H630 AromaticContact CE2-ND1 3.61Å; W617-H630 AromaticContact CG-ND1 3.98Å; W617-H630 AromaticContact CZ2-CE1 3.58Å; W617-H630 AromaticContact NE1-CE1 3.51Å; W617-H630 AromaticContact NE1-CG 3.88Å; W617-H630 AromaticContact NE1-ND1 3.47Å; W617-H630 PolarHBondContact NE1-ND1 2.89Å; W617-H630 AromaticContact NE1-NE2 3.96Å; H630-N632 PolarHBondContact O-N 2.89Å; H630-S633 PolarHBondContact N-O 2.95Å; H630-S633 WeakPolarHBondContact O-CB 3.5Å; H630-S633 PolarHBondContact O-N 2.87Å; H630-F673 HydrophobicContact CB-CE1 3.66Å; H630-F673 HydrophobicContact CB-CZ 4.09Å
631	N	96.6	Very high	94	Very high	98 Å²	98	57.3 Å²	57.3	52%	0.524	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	43.6	-178.4	-165.1	17.7	0	0	0	113.2	G611 D613 D614 S633	G611-N631 PolarHBondContact O-N 2.84Å; D613-N631 VanDerWaalsContact O-CA 3.24Å; D613-N631 WeakPolarHBondContact O-CA 3.4Å; D613-N631 PolarHBondContact O-N 2.83Å; D614-N631 HydrophobicContact CB-CB 4.36Å; N631-S633 PolarHBondContact O-N 3.03Å
632	N	95.1	Very high	94.1	Very high	100 Å²	100	57.3 Å²	57.3	54%	0.535	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	10.4	-178.6	-161.7	47.3	0	0	0	114.8	G611 K612 H630	G611-N632 PolarHBondContact O-N 2.92Å; K612-N632 WeakPolarHBondContact O-CB 3.08Å; K612-N632 PolarHBondContact O-N 2.92Å; H630-N632 PolarHBondContact O-N 2.89Å
633	S	95.9	Very high	94.1	Very high	68 Å²	68	59 Å²	59	48%	0.476	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.9	175.9	-176.1	0	0	0	0	110.5	M629 H630 N631	M629-S633 WeakPolarHBondContact CA-O 3.48Å; H630-S633 PolarHBondContact N-O 2.95Å; H630-S633 WeakPolarHBondContact O-CB 3.5Å; H630-S633 PolarHBondContact O-N 2.87Å; N631-S633 PolarHBondContact O-N 3.03Å
634	H	94.3	Very high	94.2	Very high	93 Å²	93	64.2 Å²	64.2	43%	0.431	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.9	-179.9	-61.7	70	0	0	0	110.6	F628 M629	F628-H634 CarbonylContact O-C 3.58Å; F628-H634 WeakPolarHBondContact O-CA 3.44Å; M629-H634 WeakPolarHBondContact CE-NE2 3.34Å
635	T	94.3	Very high	94.4	Very high	61 Å²	61	61.2 Å²	61.2	37%	0.374	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	165.4	178.6	60.1	0	0	0	0	111.6	F628 R637	F628-T635 PolarHBondContact N-O 3.17Å; F628-T635 PolarHBondContact O-N 2.95Å; T635-R637 PolarHBondContact O-N 3.19Å
636	N	92.9	Very high	94.5	Very high	81 Å²	81	58.3 Å²	58.3	43%	0.433	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	54.3	168.1	-62.4	81.7	0	0	0	115.2	F628 T638 P670	F628-N636 HydrophobicContact CD2-CB 3.53Å; F628-N636 HydrophobicContact CE2-CB 3.58Å; F628-N636 HydrophobicContact CG-CB 4.43Å; N636-T638 PolarHBondContact O-N 2.9Å; N636-T638 PolarHBondContact O-OG1 2.92Å; N636-T638 VanDerWaalsContact O-OG1 3.11Å; N636-P670 VanDerWaalsContact ND2-CG 3.32Å; N636-P670 WeakPolarHBondContact ND2-CG 3.45Å
637	R	94.8	Very high	94.6	Very high	141 Å²	141	59.8 Å²	59.8	53%	0.532	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	124.4	171.2	-178.3	173.3	167.6	153.3	-18.3	110.9	S626 W627 T635	S626-R637 WeakPolarHBondContact O-CA 3.44Å; W627-R637 VanDerWaalsContact CD1-CB 3.43Å; W627-R637 HydrophobicContact CD2-CG 4.46Å; W627-R637 HydrophobicContact CG-CB 4.38Å; W627-R637 HydrophobicContact CZ2-CG 4.15Å; W627-R637 VanDerWaalsContact NE1-CB 3.31Å; W627-R637 VanDerWaalsContact NE1-CD 3.31Å; T635-R637 PolarHBondContact O-N 3.19Å
638	T	94.3	Very high	94.7	Very high	34 Å²	34	58.2 Å²	58.2	21%	0.209	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.4	-179.7	-53.8	0	0	0	0	109.8	R625 S626 N636 G669	R625-T638 VanDerWaalsContact CA-O 3.31Å; R625-T638 WeakPolarHBondContact CA-O 3.33Å; S626-T638 PolarHBondContact N-O 3.11Å; S626-T638 PolarHBondContact O-N 3.37Å; N636-T638 PolarHBondContact O-N 2.9Å; N636-T638 PolarHBondContact O-OG1 2.92Å; N636-T638 VanDerWaalsContact O-OG1 3.11Å; T638-G669 WeakPolarHBondContact OG1-CA 3.26Å
639	D	91.9	Very high	94.7	Very high	136 Å²	136	58.2 Å²	58.2	73%	0.727	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.3	172.9	-66.7	-32.6	0	0	0	109.2
640	G	87.3	Confident	94.8	Very high	27 Å²	27	58.1 Å²	58.1	28%	0.278	33%	0.328	S	S	.	.			trans	128.5	92.9	-169.6	0	0	0	0	0	110.9	N624 I663 Q668	N624-G640 PolarHBondContact O-N 3.01Å; G640-I663 WeakPolarHBondContact O-CD1 3.28Å; G640-Q668 PolarHBondContact O-OE1 3.2Å
641	G	90.1	Very high	94.7	Very high	17 Å²	17	55.6 Å²	55.6	18%	0.175	32%	0.316	C	S	.	.			trans	-103.9	-172.7	178.1	0	0	0	0	0	113.1	D622 N624	D622-G641 CarbonylContact O-C 3.59Å; D622-G641 WeakPolarHBondContact O-CA 3.31Å; N624-G641 VanDerWaalsContact C-N 3.31Å; N624-G641 PolarHBondContact O-N 3.21Å
642	V	94.5	Very high	94.7	Very high	1 Å²	1	51 Å²	51	1%	0.006	29%	0.291	C	S	.	.			trans	-109.2	149.9	179.6	-66.8	0	0	0	0	112.5	V586 Y589 V621 D622 I648 I663	V586-V642 HydrophobicContact CG2-CB 4.39Å; Y589-V642 HydrophobicContact CD1-CG2 4.04Å; Y589-V642 HydrophobicContact CE1-CG2 3.79Å; Y589-V642 WeakPolarHBondContact CE1-O 3.09Å; V621-V642 HydrophobicContact CB-CG1 4.43Å; V621-V642 HydrophobicContact CB-CG2 4.49Å; V621-V642 HydrophobicContact CG1-CB 4.47Å; V621-V642 HydrophobicContact CG1-CG1 3.85Å; V621-V642 HydrophobicContact CG1-CG2 3.79Å; V621-V642 HydrophobicContact CG2-CB 4.33Å; V621-V642 HydrophobicContact CG2-CG1 3.72Å; V621-V642 HydrophobicContact CG2-CG2 4.06Å; D622-V642 PolarHBondContact O-N 2.94Å; V642-I648 HydrophobicContact CG1-CD1 3.98Å; V642-I648 HydrophobicContact CG1-CG1 4.18Å; V642-I663 HydrophobicContact CG1-CD1 4.27Å
643	A	94.1	Very high	94.7	Very high	51 Å²	51	46.2 Å²	46.2	42%	0.421	27%	0.266	S	S	.	.			trans	-136	173.4	168.4	0	0	0	0	0	109.5	G645 S646	A643-G645 PolarHBondContact O-N 2.88Å; A643-S646 PolarHBondContact N-OG 3.41Å; A643-S646 VanDerWaalsContact O-CB 3.28Å; A643-S646 WeakPolarHBondContact O-CB 3.4Å; A643-S646 PolarHBondContact O-N 3.23Å; A643-S646 PolarHBondContact O-OG 3.05Å; A643-S646 VanDerWaalsContact O-OG 3.05Å
644	K	94.6	Very high	94.5	Very high	167 Å²	167	44.5 Å²	44.5	73%	0.726	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	125.8	170.1	176	173.9	178.8	179	0	110.1	D587	D587-K644 WeakPolarHBondContact O-CD 3.43Å; D587-K644 WeakPolarHBondContact O-CE 3.43Å; D587-K644 WeakPolarHBondContact O-CG 3.47Å
645	G	95.2	Very high	94.2	Very high	50 Å²	50	42.7 Å²	42.7	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-3.3	-177	0	0	0	0	0	114.6	V586 A643	V586-G645 PolarHBondContact O-N 2.98Å; A643-G645 PolarHBondContact O-N 2.88Å
646	S	96.8	Very high	94.1	Very high	11 Å²	11	46 Å²	46	8%	0.077	25%	0.251	C	S	.	.			trans	-68.3	143.8	172.4	-60.3	0	0	0	0	111.4	T585 V586 A643 N664	T585-S646 WeakPolarHBondContact CA-O 3.41Å; V586-S646 PolarHBondContact N-O 3.23Å; A643-S646 PolarHBondContact N-OG 3.41Å; A643-S646 VanDerWaalsContact O-CB 3.28Å; A643-S646 WeakPolarHBondContact O-CB 3.4Å; A643-S646 PolarHBondContact O-N 3.23Å; A643-S646 PolarHBondContact O-OG 3.05Å; A643-S646 VanDerWaalsContact O-OG 3.05Å; S646-N664 WeakPolarHBondContact CA-OD1 3.22Å
647	T	97.4	Very high	94.1	Very high	31 Å²	31	42.6 Å²	42.6	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129	176.4	-63	0	0	0	0	110	E583 I663 N664	E583-T647 HydrophobicContact CB-CG2 3.89Å; E583-T647 HydrophobicContact CG-CG2 4Å; E583-T647 WeakPolarHBondContact OE2-CG2 3.3Å; T647-I663 CarbonylContact O-C 3.57Å; T647-I663 WeakPolarHBondContact O-CA 3.44Å; T647-N664 PolarHBondContact N-OD1 2.91Å; T647-N664 PolarHBondContact O-N 3.26Å
648	I	97.8	Very high	94.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.2	176.2	-60.5	82.9	0	0	0	108.1	E583 M584 V586 F597 M619 V642 V650 L662	E583-I648 CarbonylContact C-O 3.58Å; E583-I648 VanDerWaalsContact CA-O 3.26Å; E583-I648 WeakPolarHBondContact CA-O 3.4Å; M584-I648 PolarHBondContact N-O 2.82Å; M584-I648 WeakPolarHBondContact O-CD1 3.33Å; M584-I648 PolarHBondContact O-N 3.11Å; V586-I648 HydrophobicContact CG2-CD1 3.41Å; V586-I648 VanDerWaalsContact CG2-CD1 3.41Å; F597-I648 HydrophobicContact CB-CG2 4Å; F597-I648 HydrophobicContact CD1-CB 4.33Å; F597-I648 HydrophobicContact CD1-CG1 4.36Å; F597-I648 HydrophobicContact CD1-CG2 4.33Å; F597-I648 HydrophobicContact CD2-CG1 4.06Å; F597-I648 HydrophobicContact CD2-CG2 4.36Å; F597-I648 HydrophobicContact CE1-CD1 3.9Å; F597-I648 HydrophobicContact CE1-CG1 4.22Å; F597-I648 HydrophobicContact CE2-CD1 3.94Å; F597-I648 HydrophobicContact CE2-CG1 3.95Å; F597-I648 HydrophobicContact CG-CB 4.39Å; F597-I648 HydrophobicContact CG-CG1 4.27Å; F597-I648 HydrophobicContact CG-CG2 4Å; F597-I648 HydrophobicContact CZ-CD1 3.6Å; F597-I648 HydrophobicContact CZ-CG1 4.04Å; M619-I648 HydrophobicContact CE-CG2 3.91Å; V642-I648 HydrophobicContact CG1-CD1 3.98Å; V642-I648 HydrophobicContact CG1-CG1 4.18Å; I648-V650 HydrophobicContact CG2-CG2 4.43Å; I648-L662 CarbonylContact C-O 3.6Å; I648-L662 VanDerWaalsContact CA-O 3.28Å; I648-L662 WeakPolarHBondContact CA-O 3.37Å
649	G	97.4	Very high	94.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.1	172	0	0	0	0	0	111	F661 L662	G649-F661 WeakPolarHBondContact O-CA 3.36Å; G649-L662 PolarHBondContact N-O 2.87Å; G649-L662 PolarHBondContact O-N 2.79Å
650	V	97.7	Very high	94.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	118.4	174.5	-172.4	0	0	0	0	108.6	Y581 W582 M584 I648 L659 F661	Y581-V650 WeakPolarHBondContact CA-O 3.49Å; Y581-V650 VanDerWaalsContact CD2-O 3.3Å; Y581-V650 WeakPolarHBondContact CD2-O 3.4Å; W582-V650 HydrophobicContact CD2-CB 4.09Å; W582-V650 HydrophobicContact CH2-CB 4.22Å; W582-V650 HydrophobicContact CH2-CG1 3.68Å; W582-V650 HydrophobicContact CZ2-CB 3.63Å; W582-V650 HydrophobicContact CZ2-CG1 3.35Å; W582-V650 HydrophobicContact CZ2-CG2 4.25Å; W582-V650 HydrophobicContact CZ3-CG1 4.42Å; W582-V650 PolarHBondContact N-O 3.15Å; W582-V650 PolarHBondContact O-N 2.86Å; M584-V650 HydrophobicContact CE-CG2 3.47Å; M584-V650 VanDerWaalsContact CE-CG2 3.47Å; I648-V650 HydrophobicContact CG2-CG2 4.43Å; V650-L659 HydrophobicContact CG1-CD1 3.61Å; V650-F661 HydrophobicContact CG1-CD1 4.28Å; V650-F661 HydrophobicContact CG1-CE1 3.92Å; V650-F661 HydrophobicContact CG2-CD1 3.98Å; V650-F661 HydrophobicContact CG2-CE1 3.99Å
651	L	96.8	Very high	95	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118	178	-171.4	154.7	0	0	0	109.6	V579 H580 Y581 D653 L659 I660 Y704	V579-L651 HydrophobicContact CG1-CD2 4.37Å; H580-L651 WeakPolarHBondContact O-CA 3.37Å; Y581-L651 HydrophobicContact CD2-CB 3.94Å; Y581-L651 HydrophobicContact CD2-CG 4.47Å; L651-D653 HydrophobicContact CD2-CB 4.14Å; L651-L659 WeakPolarHBondContact O-CA 3.47Å; L651-I660 HydrophobicContact CB-CB 4.27Å; L651-I660 HydrophobicContact CD2-CD1 4.41Å; L651-I660 PolarHBondContact N-O 2.81Å; L651-I660 PolarHBondContact O-N 2.95Å; L651-Y704 HydrophobicContact CD1-CD1 3.65Å; L651-Y704 HydrophobicContact CD1-CD2 3.92Å; L651-Y704 HydrophobicContact CD1-CE1 4.19Å; L651-Y704 HydrophobicContact CD1-CE2 4.44Å; L651-Y704 HydrophobicContact CD1-CG 3.49Å; L651-Y704 VanDerWaalsContact CD1-CG 3.49Å; L651-Y704 HydrophobicContact CD2-CD1 4.14Å; L651-Y704 HydrophobicContact CD2-CD2 4.36Å; L651-Y704 HydrophobicContact CD2-CE1 3.8Å; L651-Y704 HydrophobicContact CD2-CE2 4.06Å; L651-Y704 HydrophobicContact CD2-CG 4.4Å; L651-Y704 HydrophobicContact CG-CD1 4.48Å
652	L	95.6	Very high	95.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.9	179.6	177.9	59.3	0	0	0	109.6	F575 V579 H580 W582 I599 F654 L659 L676	F575-L652 HydrophobicContact CB-CD2 4.36Å; V579-L652 WeakPolarHBondContact CA-O 3.5Å; H580-L652 PolarHBondContact N-O 2.8Å; H580-L652 PolarHBondContact O-N 3.14Å; W582-L652 HydrophobicContact CH2-CB 4.27Å; W582-L652 HydrophobicContact CH2-CD2 4.43Å; W582-L652 HydrophobicContact CZ3-CB 4.14Å; I599-L652 HydrophobicContact CD1-CD1 3.97Å; I599-L652 HydrophobicContact CD1-CD2 4.39Å; I599-L652 HydrophobicContact CG2-CD2 4.31Å; L652-F654 HydrophobicContact CD1-CE2 4.27Å; L652-F654 HydrophobicContact CD1-CZ 4.3Å; L652-F654 HydrophobicContact CD2-CD2 4.34Å; L652-F654 HydrophobicContact CD2-CE2 3.35Å; L652-F654 HydrophobicContact CD2-CZ 3.54Å; L652-F654 HydrophobicContact CG-CD2 4.08Å; L652-F654 HydrophobicContact CG-CE2 3.55Å; L652-F654 HydrophobicContact CG-CZ 3.97Å; L652-L659 HydrophobicContact CB-CD1 4.22Å; L652-L659 HydrophobicContact CD1-CD1 4.25Å; L652-L676 HydrophobicContact CD1-CD1 3.86Å
653	D	94.3	Very high	95.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	102.6	-179.6	-177.5	-16.8	0	0	0	110	V579 L651 T655 R656 G657 I658 Y704	V579-D653 HydrophobicContact CG1-CB 4.14Å; V579-D653 HydrophobicContact CG2-CB 4.13Å; V579-D653 WeakPolarHBondContact CG2-OD1 3.47Å; L651-D653 HydrophobicContact CD2-CB 4.14Å; D653-T655 VanDerWaalsContact C-N 3.3Å; D653-T655 WeakPolarHBondContact OD1-CA 3.26Å; D653-T655 VanDerWaalsContact OD1-CB 3.31Å; D653-T655 WeakPolarHBondContact OD1-CB 3.5Å; D653-T655 PolarHBondContact OD1-N 3.5Å; D653-T655 PolarHBondContact OD1-OG1 3.46Å; D653-T655 PolarHBondContact OD2-OG1 2.81Å; D653-R656 PolarHBondContact O-N 2.95Å; D653-R656 PolarHBondContact OD1-N 2.9Å; D653-R656 VanDerWaalsContact OD1-N 3.1Å; D653-R656 IonicContact OD2-NE 3.68Å; D653-G657 CarbonylContact O-C 3.49Å; D653-G657 VanDerWaalsContact O-CA 3.3Å; D653-G657 WeakPolarHBondContact O-CA 3.3Å; D653-G657 PolarHBondContact O-N 3.33Å; D653-I658 HydrophobicContact CB-CG1 3.92Å; D653-I658 PolarHBondContact N-O 2.88Å; D653-I658 PolarHBondContact O-N 2.85Å; D653-Y704 PolarHBondContact OD2-OH 2.82Å
654	F	91.7	Very high	95.4	Very high	32 Å²	32	28.6 Å²	28.6	14%	0.14	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.5	175.8	-72	-84	0	0	0	113.6	F575 S576 G578 L652 R656 G678 Y680	F575-F654 VanDerWaalsContact C-CZ 3.41Å; F575-F654 HydrophobicContact CB-CE2 3.56Å; F575-F654 HydrophobicContact CB-CZ 4.05Å; F575-F654 WeakPolarHBondContact O-CZ 3.28Å; S576-F654 VanDerWaalsContact CA-CZ 3.49Å; G578-F654 WeakPolarHBondContact O-CB 3.32Å; G578-F654 WeakPolarHBondContact O-CD2 3.44Å; G578-F654 PolarHBondContact O-N 3.05Å; L652-F654 HydrophobicContact CD1-CE2 4.27Å; L652-F654 HydrophobicContact CD1-CZ 4.3Å; L652-F654 HydrophobicContact CD2-CD2 4.34Å; L652-F654 HydrophobicContact CD2-CE2 3.35Å; L652-F654 HydrophobicContact CD2-CZ 3.54Å; L652-F654 HydrophobicContact CG-CD2 4.08Å; L652-F654 HydrophobicContact CG-CE2 3.55Å; L652-F654 HydrophobicContact CG-CZ 3.97Å; F654-R656 VanDerWaalsContact C-N 3.27Å; F654-G678 WeakPolarHBondContact CE1-O 3.2Å; F654-Y680 AromaticContact CE1-CD2 3.64Å; F654-Y680 HydrophobicContact CE1-CD2 3.64Å; F654-Y680 HydrophobicContact CE1-CE2 4.06Å; F654-Y680 AromaticContact CZ-CD2 3.74Å; F654-Y680 HydrophobicContact CZ-CD2 3.74Å
655	T	89	Confident	95.3	Very high	56 Å²	56	26.3 Å²	26.3	34%	0.344	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-32.3	175.9	68.8	0	0	0	0	111.2	V579 D653 A709	V579-T655 HydrophobicContact CG2-CG2 4.42Å; D653-T655 VanDerWaalsContact C-N 3.3Å; D653-T655 WeakPolarHBondContact OD1-CA 3.26Å; D653-T655 VanDerWaalsContact OD1-CB 3.31Å; D653-T655 WeakPolarHBondContact OD1-CB 3.5Å; D653-T655 PolarHBondContact OD1-N 3.5Å; D653-T655 PolarHBondContact OD1-OG1 3.46Å; D653-T655 PolarHBondContact OD2-OG1 2.81Å; T655-A709 HydrophobicContact CG2-CB 4.29Å
656	R	91	Very high	95.1	Very high	131 Å²	131	30.7 Å²	30.7	49%	0.494	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-11.7	174.3	-59.5	-176.9	-172.3	-160.6	4.7	113.3	D653 F654 I658 T705 G707	D653-R656 PolarHBondContact O-N 2.95Å; D653-R656 PolarHBondContact OD1-N 2.9Å; D653-R656 VanDerWaalsContact OD1-N 3.1Å; D653-R656 IonicContact OD2-NE 3.68Å; F654-R656 VanDerWaalsContact C-N 3.27Å; R656-I658 HydrophobicContact CB-CD1 4.14Å; R656-I658 HydrophobicContact CB-CG1 4.01Å; R656-I658 HydrophobicContact CB-CG2 4.08Å; R656-T705 PolarHBondContact NH2-O 3.22Å; R656-T705 VanDerWaalsContact NH2-O 3.09Å; R656-G707 VanDerWaalsContact NE-CA 3.25Å
657	G	94	Very high	95	Very high	9 Å²	9	34.2 Å²	34.2	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	35.3	-175.3	0	0	0	0	0	113.2	D653 E674 S675 L676	D653-G657 CarbonylContact O-C 3.49Å; D653-G657 VanDerWaalsContact O-CA 3.3Å; D653-G657 WeakPolarHBondContact O-CA 3.3Å; D653-G657 PolarHBondContact O-N 3.33Å; G657-E674 CarbonylContact O-C 3.54Å; G657-E674 VanDerWaalsContact O-C 3.24Å; G657-E674 VanDerWaalsContact O-CA 3.31Å; G657-E674 WeakPolarHBondContact O-CA 3.43Å; G657-S675 PolarHBondContact O-N 2.86Å; G657-L676 PolarHBondContact O-N 2.87Å
658	I	95.9	Very high	94.9	Very high	17 Å²	17	33.1 Å²	33.1	9%	0.087	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	152.6	-172.7	69.2	176.6	0	0	0	113.8	D653 R656 I660 V671 F673 E674	D653-I658 HydrophobicContact CB-CG1 3.92Å; D653-I658 PolarHBondContact N-O 2.88Å; D653-I658 PolarHBondContact O-N 2.85Å; R656-I658 HydrophobicContact CB-CD1 4.14Å; R656-I658 HydrophobicContact CB-CG1 4.01Å; R656-I658 HydrophobicContact CB-CG2 4.08Å; I658-I660 HydrophobicContact CD1-CD1 4.1Å; I658-I660 HydrophobicContact CD1-CG1 4.49Å; I658-V671 HydrophobicContact CB-CG1 3.7Å; I658-V671 HydrophobicContact CD1-CG2 4.37Å; I658-V671 HydrophobicContact CG2-CG1 3.89Å; I658-F673 CarbonylContact C-O 3.53Å; I658-F673 VanDerWaalsContact CA-O 3.27Å; I658-F673 WeakPolarHBondContact CA-O 3.22Å; I658-E674 HydrophobicContact CG2-CG 4.17Å
659	L	97.4	Very high	94.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.1	171.9	-176.4	63.2	0	0	0	110.6	I599 W617 V650 L651 L652 F661 A672 F673 L676	I599-L659 HydrophobicContact CD1-CD1 4.4Å; I599-L659 HydrophobicContact CD1-CD2 3.83Å; I599-L659 HydrophobicContact CG1-CD2 3.82Å; I599-L659 HydrophobicContact CG2-CD1 4.21Å; I599-L659 HydrophobicContact CG2-CD2 4.48Å; W617-L659 HydrophobicContact CB-CD2 4.13Å; V650-L659 HydrophobicContact CG1-CD1 3.61Å; L651-L659 WeakPolarHBondContact O-CA 3.47Å; L652-L659 HydrophobicContact CB-CD1 4.22Å; L652-L659 HydrophobicContact CD1-CD1 4.25Å; L659-F661 HydrophobicContact CD1-CZ 4.46Å; L659-F661 HydrophobicContact CD2-CE1 4.37Å; L659-F661 HydrophobicContact CD2-CE2 3.77Å; L659-F661 HydrophobicContact CD2-CZ 3.47Å; L659-F661 VanDerWaalsContact CD2-CZ 3.47Å; L659-F661 HydrophobicContact CG-CE2 3.95Å; L659-F661 HydrophobicContact CG-CZ 3.88Å; L659-A672 VanDerWaalsContact O-CB 3.31Å; L659-A672 WeakPolarHBondContact O-CB 3.23Å; L659-A672 PolarHBondContact O-N 2.72Å; L659-F673 HydrophobicContact CB-CB 4.33Å; L659-F673 HydrophobicContact CB-CD2 4.37Å; L659-F673 HydrophobicContact CD2-CD2 3.81Å; L659-F673 HydrophobicContact CD2-CE2 4.37Å; L659-F673 HydrophobicContact CG-CD2 4.47Å; L659-F673 PolarHBondContact N-O 2.57Å; L659-L676 HydrophobicContact CB-CD1 3.56Å
660	I	96.8	Very high	94.3	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.8	179.1	-58.4	175.2	0	0	0	109	L651 I658 L662 Q667 V671 Y704	L651-I660 HydrophobicContact CB-CB 4.27Å; L651-I660 HydrophobicContact CD2-CD1 4.41Å; L651-I660 PolarHBondContact N-O 2.81Å; L651-I660 PolarHBondContact O-N 2.95Å; I658-I660 HydrophobicContact CD1-CD1 4.1Å; I658-I660 HydrophobicContact CD1-CG1 4.49Å; I660-L662 HydrophobicContact CG2-CD1 4.31Å; I660-Q667 HydrophobicContact CG2-CG 3.74Å; I660-V671 HydrophobicContact CG1-CG2 4.49Å; I660-Y704 HydrophobicContact CD1-CD2 4.29Å; I660-Y704 HydrophobicContact CD1-CE2 3.81Å
661	F	97.6	Very high	94.1	Very high	1 Å²	1	39.6 Å²	39.6	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	141.6	174.9	-64.7	-74.4	0	0	0	111.2	F597 M619 F628 G649 V650 L659 Q667 Q668 A672 F673	F597-F661 WeakPolarHBondContact O-CE1 3.39Å; M619-F661 HydrophobicContact CB-CB 4.32Å; M619-F661 HydrophobicContact CB-CD1 3.95Å; M619-F661 HydrophobicContact CB-CD2 3.72Å; M619-F661 HydrophobicContact CB-CE1 4.15Å; M619-F661 HydrophobicContact CB-CE2 3.92Å; M619-F661 HydrophobicContact CB-CG 3.72Å; M619-F661 HydrophobicContact CB-CZ 4.13Å; M619-F661 HydrophobicContact CE-CB 3.84Å; M619-F661 HydrophobicContact CE-CD1 4.35Å; M619-F661 HydrophobicContact CE-CG 4.25Å; M619-F661 HydrophobicContact CG-CG 4.46Å; M619-F661 HydrophobicContact SD-CB 3.55Å; M619-F661 VanDerWaalsContact SD-CB 3.55Å; M619-F661 HydrophobicContact SD-CG 4.03Å; F628-F661 HydrophobicContact CD1-CD2 4.09Å; F628-F661 HydrophobicContact CD1-CE2 4.46Å; F628-F661 AromaticContact CE1-CD2 3.92Å; F628-F661 HydrophobicContact CE1-CD2 3.92Å; G649-F661 WeakPolarHBondContact O-CA 3.36Å; V650-F661 HydrophobicContact CG1-CD1 4.28Å; V650-F661 HydrophobicContact CG1-CE1 3.92Å; V650-F661 HydrophobicContact CG2-CD1 3.98Å; V650-F661 HydrophobicContact CG2-CE1 3.99Å; L659-F661 HydrophobicContact CD1-CZ 4.46Å; L659-F661 HydrophobicContact CD2-CE1 4.37Å; L659-F661 HydrophobicContact CD2-CE2 3.77Å; L659-F661 HydrophobicContact CD2-CZ 3.47Å; L659-F661 VanDerWaalsContact CD2-CZ 3.47Å; L659-F661 HydrophobicContact CG-CE2 3.95Å; L659-F661 HydrophobicContact CG-CZ 3.88Å; F661-Q667 WeakPolarHBondContact O-CA 3.25Å; F661-Q668 PolarHBondContact O-N 3.07Å; F661-A672 HydrophobicContact CD2-CB 3.6Å; F661-A672 HydrophobicContact CE2-CB 3.74Å; F661-F673 HydrophobicContact CE2-CD2 4.35Å; F661-F673 HydrophobicContact CE2-CE2 4.06Å
662	L	96.2	Very high	93.9	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.5	175.1	-61.8	101.6	0	0	0	110	Y581 I648 G649 I660 E666 F703	Y581-L662 HydrophobicContact CE2-CD1 4.12Å; I648-L662 CarbonylContact C-O 3.6Å; I648-L662 VanDerWaalsContact CA-O 3.28Å; I648-L662 WeakPolarHBondContact CA-O 3.37Å; G649-L662 PolarHBondContact N-O 2.87Å; G649-L662 PolarHBondContact O-N 2.79Å; I660-L662 HydrophobicContact CG2-CD1 4.31Å; L662-E666 CarbonylContact C-O 3.6Å; L662-E666 WeakPolarHBondContact CA-O 3.43Å; L662-F703 HydrophobicContact CD1-CZ 4.06Å; L662-F703 HydrophobicContact CD2-CE1 3.63Å; L662-F703 HydrophobicContact CD2-CE2 4.18Å; L662-F703 HydrophobicContact CD2-CZ 3.31Å; L662-F703 HydrophobicContact CG-CZ 4.29Å
663	I	96.5	Very high	94	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.3	166.7	-63.9	174	0	0	0	106.8	M619 V621 G640 V642 T647 D665 E666 Q668	M619-I663 HydrophobicContact CE-CD1 3.93Å; M619-I663 HydrophobicContact CE-CG1 3.84Å; M619-I663 HydrophobicContact SD-CD1 4.36Å; V621-I663 HydrophobicContact CG2-CD1 3.87Å; G640-I663 WeakPolarHBondContact O-CD1 3.28Å; V642-I663 HydrophobicContact CG1-CD1 4.27Å; T647-I663 CarbonylContact O-C 3.57Å; T647-I663 WeakPolarHBondContact O-CA 3.44Å; I663-D665 VanDerWaalsContact C-N 3.34Å; I663-D665 PolarHBondContact O-N 3.04Å; I663-E666 PolarHBondContact N-O 2.61Å; I663-E666 PolarHBondContact O-N 2.88Å; I663-Q668 HydrophobicContact CB-CG 4.08Å; I663-Q668 HydrophobicContact CD1-CG 3.63Å; I663-Q668 HydrophobicContact CG1-CG 3.61Å
664	N	94.5	Very high	94	Very high	81 Å²	81	47.9 Å²	47.9	43%	0.433	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	51.7	-176.7	-50.3	-43	0	0	0	112.5	S646 T647 E666	S646-N664 WeakPolarHBondContact CA-OD1 3.22Å; T647-N664 PolarHBondContact N-OD1 2.91Å; T647-N664 PolarHBondContact O-N 3.26Å; N664-E666 PolarHBondContact O-N 3.38Å; N664-E666 VanDerWaalsContact O-N 3.1Å
665	D	91.4	Very high	94	Very high	118 Å²	118	51.3 Å²	51.3	63%	0.631	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	2.9	-178	-51.4	-41.2	0	0	0	116	I663	I663-D665 VanDerWaalsContact C-N 3.34Å; I663-D665 PolarHBondContact O-N 3.04Å
666	E	92.5	Very high	94.1	Very high	142 Å²	142	49 Å²	49	66%	0.664	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.4	174.4	-64.7	-171	169.3	0	0	111.2	L662 I663 N664 Q668	L662-E666 CarbonylContact C-O 3.6Å; L662-E666 WeakPolarHBondContact CA-O 3.43Å; I663-E666 PolarHBondContact N-O 2.61Å; I663-E666 PolarHBondContact O-N 2.88Å; N664-E666 PolarHBondContact O-N 3.38Å; N664-E666 VanDerWaalsContact O-N 3.1Å; E666-Q668 PolarHBondContact O-N 3.31Å; E666-Q668 PolarHBondContact O-NE2 2.96Å; E666-Q668 VanDerWaalsContact O-NE2 3.17Å
667	Q	94	Very high	93.9	Very high	85 Å²	85	50 Å²	50	40%	0.397	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	128	176.7	-177.9	178.2	-40.1	0	0	110.9	I660 F661 G669	I660-Q667 HydrophobicContact CG2-CG 3.74Å; F661-Q667 WeakPolarHBondContact O-CA 3.25Å; Q667-G669 PolarHBondContact NE2-O 2.77Å
668	Q	94.2	Very high	93.7	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	29%	0.287	C	S	.	.			trans	-88.1	114	175.8	-62.2	-56.7	-58.3	0	0	109.5	M619 S626 F628 G640 F661 I663 E666	M619-Q668 HydrophobicContact SD-CB 3.79Å; M619-Q668 HydrophobicContact SD-CG 3.83Å; S626-Q668 PolarHBondContact OG-OE1 2.93Å; S626-Q668 VanDerWaalsContact OG-OE1 3.05Å; F628-Q668 WeakPolarHBondContact CZ-O 3.43Å; G640-Q668 PolarHBondContact O-OE1 3.2Å; F661-Q668 PolarHBondContact O-N 3.07Å; I663-Q668 HydrophobicContact CB-CG 4.08Å; I663-Q668 HydrophobicContact CD1-CG 3.63Å; I663-Q668 HydrophobicContact CG1-CG 3.61Å; E666-Q668 PolarHBondContact O-N 3.31Å; E666-Q668 PolarHBondContact O-NE2 2.96Å; E666-Q668 VanDerWaalsContact O-NE2 3.17Å
669	G	91.1	Very high	93.6	Very high	22 Å²	22	53.3 Å²	53.3	23%	0.227	30%	0.304	C	S	.	.	S	Bend	trans	65.6	-167.8	176.9	0	0	0	0	0	114.5	T638 Q667	T638-G669 WeakPolarHBondContact OG1-CA 3.26Å; Q667-G669 PolarHBondContact NE2-O 2.77Å
670	P	92.4	Very high	93.5	Very high	68 Å²	68	53.5 Å²	53.5	44%	0.442	31%	0.305	S	S	.	.	S	Bend	trans	-71	-171.2	170.2	33.3	-35.4	0	0	0	111	N636 A672	N636-P670 VanDerWaalsContact ND2-CG 3.32Å; N636-P670 WeakPolarHBondContact ND2-CG 3.45Å; P670-A672 PolarHBondContact O-N 3.09Å
671	V	93.1	Very high	93.5	Very high	47 Å²	47	56.7 Å²	56.7	29%	0.285	32%	0.317	S	S	.	.			trans	-50.9	127.5	167.2	174	0	0	0	0	109.3	I658 I660 F673 E674	I658-V671 HydrophobicContact CB-CG1 3.7Å; I658-V671 HydrophobicContact CD1-CG2 4.37Å; I658-V671 HydrophobicContact CG2-CG1 3.89Å; I660-V671 HydrophobicContact CG1-CG2 4.49Å; V671-F673 WeakPolarHBondContact CG1-O 3.47Å; V671-E674 HydrophobicContact CG1-CG 3.81Å
672	A	93.6	Very high	93.5	Very high	10 Å²	10	56.8 Å²	56.8	8%	0.083	32%	0.318	C	S	.	.	S	Bend	trans	-76.1	-45	-168.2	0	0	0	0	0	112.5	F628 L659 F661 P670	F628-A672 HydrophobicContact CD1-CB 3.74Å; F628-A672 HydrophobicContact CD2-CB 3.81Å; F628-A672 HydrophobicContact CE1-CB 3.57Å; F628-A672 HydrophobicContact CE2-CB 3.66Å; F628-A672 HydrophobicContact CG-CB 3.86Å; F628-A672 HydrophobicContact CZ-CB 3.51Å; L659-A672 VanDerWaalsContact O-CB 3.31Å; L659-A672 WeakPolarHBondContact O-CB 3.23Å; L659-A672 PolarHBondContact O-N 2.72Å; F661-A672 HydrophobicContact CD2-CB 3.6Å; F661-A672 HydrophobicContact CE2-CB 3.74Å; P670-A672 PolarHBondContact O-N 3.09Å
673	F	96.4	Very high	93.6	Very high	27 Å²	27	56.7 Å²	56.7	12%	0.118	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-143.6	147.3	177.8	-56.7	-80.1	0	0	0	109.7	W617 F628 H630 I658 L659 F661 V671 L676	W617-F673 HydrophobicContact CB-CD2 3.83Å; W617-F673 HydrophobicContact CB-CE2 3.8Å; W617-F673 HydrophobicContact CB-CG 4.2Å; W617-F673 HydrophobicContact CB-CZ 4.16Å; W617-F673 AromaticContact CD1-CD1 3.51Å; W617-F673 AromaticContact CD1-CE1 3.86Å; W617-F673 AromaticContact CD1-CG 3.63Å; W617-F673 HydrophobicContact CG-CD1 4.44Å; W617-F673 HydrophobicContact CG-CD2 4.41Å; W617-F673 HydrophobicContact CG-CG 4.29Å; F628-F673 HydrophobicContact CB-CE1 4.46Å; F628-F673 HydrophobicContact CB-CE2 4.21Å; F628-F673 HydrophobicContact CB-CZ 3.84Å; H630-F673 HydrophobicContact CB-CE1 3.66Å; H630-F673 HydrophobicContact CB-CZ 4.09Å; I658-F673 CarbonylContact C-O 3.53Å; I658-F673 VanDerWaalsContact CA-O 3.27Å; I658-F673 WeakPolarHBondContact CA-O 3.22Å; L659-F673 HydrophobicContact CB-CB 4.33Å; L659-F673 HydrophobicContact CB-CD2 4.37Å; L659-F673 HydrophobicContact CD2-CD2 3.81Å; L659-F673 HydrophobicContact CD2-CE2 4.37Å; L659-F673 HydrophobicContact CG-CD2 4.47Å; L659-F673 PolarHBondContact N-O 2.57Å; F661-F673 HydrophobicContact CE2-CD2 4.35Å; F661-F673 HydrophobicContact CE2-CE2 4.06Å; V671-F673 WeakPolarHBondContact CG1-O 3.47Å; F673-L676 HydrophobicContact CB-CD1 4.35Å; F673-L676 HydrophobicContact CB-CD2 4.35Å; F673-L676 HydrophobicContact CB-CG 4.47Å
674	E	94	Very high	93.7	Very high	138 Å²	138	56.4 Å²	56.4	65%	0.645	32%	0.316	S	S	*	.			trans	-126.4	168.2	179.7	-60.9	-177.2	163.3	0	0	109.5	G657 I658 V671 L676	G657-E674 CarbonylContact O-C 3.54Å; G657-E674 VanDerWaalsContact O-C 3.24Å; G657-E674 VanDerWaalsContact O-CA 3.31Å; G657-E674 WeakPolarHBondContact O-CA 3.43Å; I658-E674 HydrophobicContact CG2-CG 4.17Å; V671-E674 HydrophobicContact CG1-CG 3.81Å; E674-L676 VanDerWaalsContact C-N 3.28Å; E674-L676 PolarHBondContact O-N 2.82Å
675	S	91.4	Very high	93.8	Very high	103 Å²	103	52.6 Å²	52.6	72%	0.72	30%	0.296	S	S	*	.			trans	57.6	37.8	180	-52	0	0	0	0	113.6	G657 E677	G657-S675 PolarHBondContact O-N 2.86Å; S675-E677 PolarHBondContact O-N 2.9Å
676	L	91.6	Very high	93.9	Very high	8 Å²	8	47 Å²	47	4%	0.042	27%	0.266	C	S	.	.			trans	-76.1	118.6	175.9	-66.7	172.7	0	0	0	110.9	I599 W617 L652 G657 L659 F673 E674 Y680	I599-L676 HydrophobicContact CD1-CD1 3.96Å; I599-L676 HydrophobicContact CD1-CD2 4.45Å; W617-L676 HydrophobicContact CD2-CD2 4.11Å; W617-L676 HydrophobicContact CG-CD2 4.1Å; L652-L676 HydrophobicContact CD1-CD1 3.86Å; G657-L676 PolarHBondContact O-N 2.87Å; L659-L676 HydrophobicContact CB-CD1 3.56Å; F673-L676 HydrophobicContact CB-CD1 4.35Å; F673-L676 HydrophobicContact CB-CD2 4.35Å; F673-L676 HydrophobicContact CB-CG 4.47Å; E674-L676 VanDerWaalsContact C-N 3.28Å; E674-L676 PolarHBondContact O-N 2.82Å; L676-Y680 HydrophobicContact CB-CE2 3.96Å; L676-Y680 HydrophobicContact CD2-CE2 4.47Å
677	E	88.2	Confident	94	Very high	151 Å²	151	40.2 Å²	40.2	71%	0.706	23%	0.234	S	C	*	.			trans	-131	140.1	-179.1	-67.9	-178.4	-175.9	0	0	111.7	R601 S675 Y680	R601-E677 PolarHBondContact NH2-O 2.96Å; S675-E677 PolarHBondContact O-N 2.9Å; E677-Y680 PolarHBondContact N-OH 3.3Å; E677-Y680 PolarHBondContact O-OH 2.9Å
678	G	89.4	Confident	94	Very high	43 Å²	43	41.7 Å²	41.7	44%	0.443	24%	0.236	S	C	.	.	S	Bend	trans	104.6	-163.6	179.3	0	0	0	0	0	113.4	S576 F654	S576-G678 WeakPolarHBondContact CA-O 3.47Å; S576-G678 WeakPolarHBondContact CB-O 3.41Å; F654-G678 WeakPolarHBondContact CE1-O 3.2Å
679	A	92.8	Very high	93.9	Very high	53 Å²	53	43.2 Å²	43.2	44%	0.438	24%	0.244	S	C	.	.			trans	-97.2	127.9	-179.7	0	0	0	0	0	111.1	A574 F575	A574-A679 HydrophobicContact CB-CB 4.4Å; F575-A679 CarbonylContact O-C 3.59Å; F575-A679 WeakPolarHBondContact O-CA 3.1Å
680	Y	96.4	Very high	94.1	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.016	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-125.2	139	-178.3	-63.3	-73.1	0	0	0	111.3	A574 F575 I599 C600 R601 W617 F654 L676 E677	A574-Y680 CarbonylContact C-O 3.57Å; A574-Y680 WeakPolarHBondContact CA-O 3.21Å; F575-Y680 PolarHBondContact N-O 2.93Å; F575-Y680 PolarHBondContact O-N 2.72Å; I599-Y680 HydrophobicContact CD1-CD1 4.01Å; I599-Y680 HydrophobicContact CD1-CD2 4.27Å; I599-Y680 HydrophobicContact CD1-CG 3.85Å; I599-Y680 HydrophobicContact CG1-CD1 4.32Å; I599-Y680 HydrophobicContact CG1-CG 4.47Å; C600-Y680 CarbonylContact O-C 3.53Å; C600-Y680 WeakPolarHBondContact O-CA 3.17Å; R601-Y680 HydrophobicContact CG-CD1 4.31Å; R601-Y680 HydrophobicContact CG-CE1 4.19Å; W617-Y680 HydrophobicContact CD2-CE1 4.43Å; W617-Y680 HydrophobicContact CE3-CD1 4.12Å; W617-Y680 AromaticContact CE3-CE1 3.67Å; W617-Y680 HydrophobicContact CE3-CE1 3.67Å; W617-Y680 AromaticContact CH2-CE1 3.68Å; W617-Y680 HydrophobicContact CH2-CE1 3.68Å; W617-Y680 HydrophobicContact CZ2-CE1 4.37Å; W617-Y680 AromaticContact CZ3-CD1 3.95Å; W617-Y680 HydrophobicContact CZ3-CD1 3.95Å; W617-Y680 AromaticContact CZ3-CE1 3.29Å; W617-Y680 HydrophobicContact CZ3-CE1 3.29Å; F654-Y680 AromaticContact CE1-CD2 3.64Å; F654-Y680 HydrophobicContact CE1-CD2 3.64Å; F654-Y680 HydrophobicContact CE1-CE2 4.06Å; F654-Y680 AromaticContact CZ-CD2 3.74Å; F654-Y680 HydrophobicContact CZ-CD2 3.74Å; L676-Y680 HydrophobicContact CB-CE2 3.96Å; L676-Y680 HydrophobicContact CD2-CE2 4.47Å; E677-Y680 PolarHBondContact N-OH 3.3Å; E677-Y680 PolarHBondContact O-OH 2.9Å
681	Y	97.1	Very high	94.3	Very high	73 Å²	73	41.1 Å²	41.1	29%	0.286	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.5	173	-66.7	-95.8	0	0	0	109.3	L570 G571 A574 I599 C600 A683	L570-Y681 HydrophobicContact CD2-CD2 4.18Å; L570-Y681 HydrophobicContact CD2-CG 4.01Å; G571-Y681 VanDerWaalsContact O-CD1 3.31Å; G571-Y681 WeakPolarHBondContact O-CD1 3.27Å; A574-Y681 HydrophobicContact CB-CD1 4Å; A574-Y681 HydrophobicContact CB-CD2 4.17Å; A574-Y681 HydrophobicContact CB-CE1 3.66Å; A574-Y681 HydrophobicContact CB-CE2 3.81Å; A574-Y681 HydrophobicContact CB-CG 4.27Å; I599-Y681 CarbonylContact C-O 3.59Å; I599-Y681 WeakPolarHBondContact CA-O 3.49Å; C600-Y681 PolarHBondContact N-O 3.29Å; C600-Y681 PolarHBondContact O-N 3.46Å; Y681-A683 PolarHBondContact O-N 3.45Å
682	P	97.4	Very high	94.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	135.1	160.5	-28.2	39.2	0	0	0	110	F539 L570 G571 A573 F575 W582	F539-P682 HydrophobicContact CD2-CG 4.2Å; F539-P682 HydrophobicContact CE1-CG 4.23Å; F539-P682 HydrophobicContact CE2-CB 3.59Å; F539-P682 HydrophobicContact CE2-CG 3.45Å; F539-P682 VanDerWaalsContact CE2-CG 3.45Å; F539-P682 HydrophobicContact CZ-CB 3.89Å; F539-P682 HydrophobicContact CZ-CG 3.47Å; F539-P682 VanDerWaalsContact CZ-CG 3.47Å; L570-P682 CarbonylContact C-O 3.56Å; L570-P682 WeakPolarHBondContact CA-O 3.34Å; G571-P682 PolarHBondContact N-O 3.06Å; A573-P682 WeakPolarHBondContact O-CD 3.31Å; F575-P682 HydrophobicContact CD2-CG 4.07Å; F575-P682 HydrophobicContact CE2-CG 3.47Å; F575-P682 VanDerWaalsContact CE2-CG 3.47Å; F575-P682 HydrophobicContact CZ-CG 4.47Å; W582-P682 HydrophobicContact CD2-CB 4.32Å; W582-P682 HydrophobicContact CD2-CG 4.21Å; W582-P682 HydrophobicContact CE3-CG 4.33Å; W582-P682 HydrophobicContact CH2-CB 4.26Å; W582-P682 HydrophobicContact CH2-CG 3.94Å; W582-P682 HydrophobicContact CZ2-CB 3.59Å; W582-P682 HydrophobicContact CZ2-CG 3.77Å; W582-P682 HydrophobicContact CZ3-CG 4.21Å
683	A	97.9	Very high	94.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	151.8	-174.1	0	0	0	0	0	112.6	V568 V569 G598 C600 L610 Y681	V568-A683 HydrophobicContact CG1-CB 4.49Å; V569-A683 VanDerWaalsContact O-CA 3.3Å; V569-A683 WeakPolarHBondContact O-CA 3.07Å; G598-A683 CarbonylContact C-O 3.46Å; G598-A683 PolarHBondContact N-O 3.08Å; G598-A683 PolarHBondContact O-N 2.91Å; G598-A683 VanDerWaalsContact O-O 3.07Å; C600-A683 HydrophobicContact CB-CB 4.08Å; C600-A683 VanDerWaalsContact SG-CB 3.57Å; L610-A683 HydrophobicContact CD1-CB 3.74Å; L610-A683 HydrophobicContact CD2-CB 3.86Å; L610-A683 HydrophobicContact CG-CB 4.49Å; Y681-A683 PolarHBondContact O-N 3.45Å
684	I	97.4	Very high	94.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.4	173.1	-176.6	174.4	0	0	0	109	F541 V559 V568 V569 A596 F597 L686 V692	F541-I684 HydrophobicContact CE1-CG2 3.65Å; F541-I684 HydrophobicContact CZ-CG2 4.01Å; V559-I684 HydrophobicContact CG2-CG2 4.31Å; V568-I684 CarbonylContact C-O 3.54Å; V568-I684 WeakPolarHBondContact CA-O 3.31Å; V569-I684 HydrophobicContact CB-CG2 4.14Å; V569-I684 PolarHBondContact N-O 3.03Å; V569-I684 PolarHBondContact O-N 3.41Å; A596-I684 CarbonylContact O-C 3.53Å; A596-I684 WeakPolarHBondContact O-CA 3.44Å; A596-I684 WeakPolarHBondContact O-CG1 3.26Å; F597-I684 HydrophobicContact CD1-CD1 3.68Å; F597-I684 HydrophobicContact CD1-CG1 3.97Å; F597-I684 HydrophobicContact CE1-CD1 3.36Å; F597-I684 HydrophobicContact CE1-CG1 4.1Å; F597-I684 HydrophobicContact CZ-CD1 4.1Å; I684-L686 HydrophobicContact CD1-CD2 3.91Å; I684-L686 HydrophobicContact CG1-CD2 4.04Å; I684-L686 HydrophobicContact CG2-CD2 3.85Å; I684-V692 HydrophobicContact CD1-CB 3.76Å; I684-V692 HydrophobicContact CD1-CG1 3.86Å; I684-V692 HydrophobicContact CD1-CG2 3.56Å
685	S	96.7	Very high	95	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133	159.9	62.4	0	0	0	0	111.4	R567 P595 A596 L610	R567-S685 VanDerWaalsContact O-CA 3.27Å; R567-S685 WeakPolarHBondContact O-CA 3.48Å; P595-S685 WeakPolarHBondContact CA-O 3.27Å; A596-S685 PolarHBondContact N-O 2.92Å; A596-S685 VanDerWaalsContact N-O 3.14Å; A596-S685 PolarHBondContact O-N 3.23Å; L610-S685 WeakPolarHBondContact CB-OG 3.16Å; L610-S685 VanDerWaalsContact N-CB 3.3Å; L610-S685 PolarHBondContact N-OG 2.84Å
686	L	95.3	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.1	179.6	65.1	121.2	0	0	0	111.9	V559 C561 R567 V569 I684 V690	V559-L686 HydrophobicContact CB-CD2 4.23Å; V559-L686 HydrophobicContact CG2-CD2 3.6Å; C561-L686 HydrophobicContact CB-CD1 3.83Å; R567-L686 PolarHBondContact N-O 2.75Å; R567-L686 PolarHBondContact O-N 3.02Å; R567-L686 VanDerWaalsContact O-N 3.11Å; V569-L686 HydrophobicContact CG2-CD2 4.4Å; I684-L686 HydrophobicContact CD1-CD2 3.91Å; I684-L686 HydrophobicContact CG1-CD2 4.04Å; I684-L686 HydrophobicContact CG2-CD2 3.85Å; L686-V690 HydrophobicContact CB-CB 3.99Å; L686-V690 HydrophobicContact CB-CG1 4.04Å
687	N	93.8	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.			trans	-121.7	-175.6	175	62.3	65.4	0	0	0	110.1	P593 N689 V690	P593-N687 VanDerWaalsContact C-ND2 3.35Å; P593-N687 WeakPolarHBondContact CB-ND2 3.23Å; P593-N687 WeakPolarHBondContact CD-ND2 3.48Å; P593-N687 WeakPolarHBondContact CD-OD1 3.38Å; P593-N687 HydrophobicContact CG-CB 4.14Å; P593-N687 WeakPolarHBondContact CG-ND2 3.4Å; P593-N687 PolarHBondContact O-ND2 2.94Å; N687-N689 PolarHBondContact O-N 3.39Å; N687-N689 VanDerWaalsContact O-N 3.08Å; N687-N689 WeakPolarHBondContact OD1-CB 3.37Å; N687-N689 PolarHBondContact OD1-N 3.17Å; N687-V690 PolarHBondContact O-N 2.95Å
688	R	93.9	Very high	95.4	Very high	116 Å²	116	26 Å²	26	44%	0.438	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.1	-175	-170.8	178.3	-170.8	-171.5	2.2	115.8	C561 S563 R588 V690	C561-R688 WeakPolarHBondContact O-CA 3.4Å; C561-R688 WeakPolarHBondContact O-CG 3.38Å; S563-R688 VanDerWaalsContact O-CB 3.27Å; S563-R688 WeakPolarHBondContact O-CB 3.42Å; S563-R688 PolarHBondContact O-N 2.89Å; R588-R688 PolarHBondContact NH2-O 3.04Å; R588-R688 VanDerWaalsContact NH2-O 3.13Å; R688-V690 VanDerWaalsContact C-N 3.27Å; R688-V690 PolarHBondContact O-N 2.9Å
689	N	92.6	Very high	95.5	Very high	40 Å²	40	28.4 Å²	28.4	21%	0.214	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.3	-175.7	-63.9	-21	0	0	0	113	Y589 D590 H592 N687	Y589-N689 WeakPolarHBondContact CA-O 3.4Å; D590-N689 HydrophobicContact CB-CB 4.16Å; D590-N689 PolarHBondContact N-O 2.83Å; H592-N689 WeakPolarHBondContact O-CB 3.29Å; H592-N689 PolarHBondContact O-ND2 2.78Å; N687-N689 PolarHBondContact O-N 3.39Å; N687-N689 VanDerWaalsContact O-N 3.08Å; N687-N689 WeakPolarHBondContact OD1-CB 3.37Å; N687-N689 PolarHBondContact OD1-N 3.17Å
690	V	94.7	Very high	95.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139.3	-179.9	-177	0	0	0	0	110.3	R588 Y589 P595 L686 N687 R688 V692	R588-V690 CarbonylContact O-C 3.59Å; R588-V690 VanDerWaalsContact O-CA 3.31Å; R588-V690 WeakPolarHBondContact O-CA 3.43Å; Y589-V690 HydrophobicContact CD2-CG2 3.95Å; Y589-V690 HydrophobicContact CE2-CG2 4.48Å; P595-V690 HydrophobicContact CB-CG1 4.08Å; P595-V690 HydrophobicContact CB-CG2 4.3Å; P595-V690 HydrophobicContact CG-CG1 4.29Å; P595-V690 HydrophobicContact CG-CG2 4.34Å; L686-V690 HydrophobicContact CB-CB 3.99Å; L686-V690 HydrophobicContact CB-CG1 4.04Å; N687-V690 PolarHBondContact O-N 2.95Å; R688-V690 VanDerWaalsContact C-N 3.27Å; R688-V690 PolarHBondContact O-N 2.9Å; V690-V692 HydrophobicContact CG1-CG2 3.9Å
691	Q	96.6	Very high	95	Very high	46 Å²	46	29.4 Å²	29.4	22%	0.215	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.1	166.9	-179.1	179.5	-21.9	0	0	108.9	T558 V559 D587 R588	T558-Q691 HydrophobicContact CG2-CG 3.87Å; V559-Q691 WeakPolarHBondContact O-CA 3.45Å; V559-Q691 WeakPolarHBondContact O-CG 3.49Å; D587-Q691 HydrophobicContact CB-CB 4.22Å; D587-Q691 HydrophobicContact CB-CG 4.03Å; D587-Q691 PolarHBondContact N-O 2.95Å; R588-Q691 HydrophobicContact CB-CB 3.83Å; R588-Q691 PolarHBondContact N-O 3.08Å; R588-Q691 PolarHBondContact O-N 2.81Å
692	V	97.7	Very high	94.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141	-176.2	173.5	0	0	0	0	110.7	T558 V559 M584 T585 D587 F597 I684 V690	T558-V692 CarbonylContact C-O 3.49Å; T558-V692 WeakPolarHBondContact CA-O 3.31Å; V559-V692 HydrophobicContact CG2-CB 4.41Å; V559-V692 PolarHBondContact N-O 3.5Å; V559-V692 PolarHBondContact O-N 3.34Å; M584-V692 HydrophobicContact CB-CG1 3.69Å; M584-V692 HydrophobicContact CG-CG1 4.15Å; T585-V692 VanDerWaalsContact O-CA 3.29Å; T585-V692 WeakPolarHBondContact O-CA 3.41Å; D587-V692 VanDerWaalsContact OD2-C 3.28Å; F597-V692 HydrophobicContact CE1-CG1 4.11Å; F597-V692 HydrophobicContact CE1-CG2 3.97Å; F597-V692 HydrophobicContact CZ-CG2 4.15Å; I684-V692 HydrophobicContact CD1-CB 3.76Å; I684-V692 HydrophobicContact CD1-CG1 3.86Å; I684-V692 HydrophobicContact CD1-CG2 3.56Å; V690-V692 HydrophobicContact CG1-CG2 3.9Å
693	T	98.4	Very high	93.9	Very high	18 Å²	18	39.1 Å²	39.1	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.2	171.8	-66	0	0	0	0	110.2	L557 T558 M584 T585 D587	L557-T693 CarbonylContact O-C 3.54Å; L557-T693 WeakPolarHBondContact O-CA 3.34Å; T558-T693 WeakPolarHBondContact CG2-OG1 3.37Å; T558-T693 PolarHBondContact OG1-OG1 3.1Å; M584-T693 CarbonylContact C-O 3.49Å; M584-T693 VanDerWaalsContact CA-O 3.3Å; M584-T693 WeakPolarHBondContact CA-O 3.33Å; T585-T693 PolarHBondContact N-O 3.13Å; T585-T693 PolarHBondContact O-N 2.58Å; D587-T693 WeakPolarHBondContact OD2-CB 2.9Å; D587-T693 PolarHBondContact OD2-N 2.77Å; D587-T693 VanDerWaalsContact OD2-N 3.08Å; D587-T693 PolarHBondContact OD2-OG1 2.83Å
694	L	98.3	Very high	93.3	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	136	178.8	175.3	71.3	0	0	0	110.9	F539 F541 L557 W582 M584 T696	F539-L694 HydrophobicContact CD2-CD2 3.86Å; F539-L694 HydrophobicContact CE2-CD1 3.97Å; F539-L694 HydrophobicContact CE2-CD2 3.59Å; F539-L694 HydrophobicContact CE2-CG 4.31Å; F539-L694 HydrophobicContact CZ-CD1 4.22Å; F539-L694 HydrophobicContact CZ-CD2 4.47Å; F541-L694 HydrophobicContact CD2-CB 4.2Å; F541-L694 HydrophobicContact CD2-CD2 4.3Å; F541-L694 HydrophobicContact CE1-CD2 4.45Å; F541-L694 HydrophobicContact CE2-CB 3.45Å; F541-L694 VanDerWaalsContact CE2-CB 3.45Å; F541-L694 HydrophobicContact CE2-CD2 4.18Å; F541-L694 HydrophobicContact CE2-CG 4.39Å; F541-L694 HydrophobicContact CZ-CB 3.74Å; F541-L694 HydrophobicContact CZ-CD2 4.26Å; F541-L694 HydrophobicContact CZ-CG 4.41Å; L557-L694 WeakPolarHBondContact O-CB 3.39Å; L557-L694 PolarHBondContact O-N 3.47Å; W582-L694 HydrophobicContact CG-CD1 4.41Å; M584-L694 HydrophobicContact CG-CD1 3.74Å; M584-L694 HydrophobicContact SD-CD1 4.38Å; L694-T696 HydrophobicContact CD1-CG2 3.99Å; L694-T696 HydrophobicContact CD2-CG2 3.68Å; L694-T696 HydrophobicContact CG-CG2 3.59Å
695	H	97.1	Very high	92.7	Very high	69 Å²	69	45.5 Å²	45.5	32%	0.319	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.6	174	-52.8	-74.8	0	0	0	109.2	E583 T585 L698	E583-H695 HydrophobicContact CB-CB 4.18Å; E583-H695 PolarHBondContact N-O 3.14Å; E583-H695 VanDerWaalsContact N-O 3.07Å; E583-H695 PolarHBondContact O-N 3.01Å; T585-H695 PolarHBondContact OG1-CD2 2.97Å; T585-H695 PolarHBondContact OG1-NE2 2.89Å; H695-L698 HydrophobicContact CB-CD1 4.29Å
696	T	94.9	Very high	91.8	Very high	14 Å²	14	48.1 Å²	48.1	9%	0.086	25%	0.254	C	S	.	.			trans	-122.9	177.4	-178.8	69.7	0	0	0	0	110.9	F539 L694 L698	F539-T696 HydrophobicContact CD1-CG2 3.64Å; F539-T696 HydrophobicContact CD2-CG2 3.87Å; F539-T696 HydrophobicContact CE1-CG2 3.46Å; F539-T696 VanDerWaalsContact CE1-CG2 3.46Å; F539-T696 HydrophobicContact CE2-CG2 3.69Å; F539-T696 HydrophobicContact CG-CG2 3.84Å; F539-T696 HydrophobicContact CZ-CG2 3.48Å; F539-T696 VanDerWaalsContact CZ-CG2 3.48Å; F539-T696 PolarHBondContact N-OG1 3.25Å; F539-T696 WeakPolarHBondContact O-CG2 3.28Å; F539-T696 PolarHBondContact O-OG1 3Å; L694-T696 HydrophobicContact CD1-CG2 3.99Å; L694-T696 HydrophobicContact CD2-CG2 3.68Å; L694-T696 HydrophobicContact CG-CG2 3.59Å; T696-L698 PolarHBondContact O-N 3.4Å
697	G	92.1	Very high	90.5	Very high	13 Å²	13	48.8 Å²	48.8	13%	0.134	26%	0.262	C	S	.	.	S	Bend	trans	70.9	21.3	-175.2	0	0	0	0	0	113.7	I536 A537	I536-G697 WeakPolarHBondContact CD1-O 3.37Å; A537-G697 WeakPolarHBondContact O-CA 3.39Å; A537-G697 PolarHBondContact O-N 2.72Å
698	L	93	Very high	88.9	Confident	51 Å²	51	58 Å²	58	27%	0.267	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-84.5	144.2	-179.5	-61.4	178.3	0	0	0	111.1	Y581 E583 H695 T696	Y581-L698 HydrophobicContact CD1-CB 4Å; Y581-L698 HydrophobicContact CD1-CD1 4.25Å; Y581-L698 HydrophobicContact CE1-CD1 4.06Å; E583-L698 HydrophobicContact CB-CD1 3.84Å; E583-L698 HydrophobicContact CG-CD1 3.68Å; H695-L698 HydrophobicContact CB-CD1 4.29Å; T696-L698 PolarHBondContact O-N 3.4Å
699	P	91	Very high	86.9	Confident	92 Å²	92	56 Å²	56	60%	0.597	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-69.6	162.8	168.7	32.1	-34.6	0	0	0	110.6	Y581	Y581-P699 WeakPolarHBondContact CD1-O 3.21Å
700	I	90.1	Very high	84.6	Confident	58 Å²	58	59 Å²	59	30%	0.297	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-62.9	132.1	170.3	-58.9	170.7	0	0	0	108	V579 Y704 P706	V579-I700 HydrophobicContact CB-CD1 3.74Å; V579-I700 HydrophobicContact CG1-CD1 3.77Å; V579-I700 HydrophobicContact CG1-CG1 4.19Å; I700-Y704 HydrophobicContact CG2-CD1 3.88Å; I700-P706 HydrophobicContact CD1-CG 3.78Å; I700-P706 HydrophobicContact CG2-CG 4.42Å
701	P	89.6	Confident	82.3	Confident	20 Å²	20	65 Å²	65	13%	0.13	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-59.1	140.6	-179.1	-26.9	35.3	0	0	0	113.3	Y581 F703 Y704	Y581-P701 HydrophobicContact CD1-CG 3.7Å; Y581-P701 HydrophobicContact CD2-CG 3.83Å; Y581-P701 HydrophobicContact CE1-CG 3.62Å; Y581-P701 HydrophobicContact CE2-CG 3.75Å; Y581-P701 HydrophobicContact CG-CG 3.8Å; P701-F703 HydrophobicContact CB-CD1 3.47Å; P701-F703 VanDerWaalsContact CB-CD1 3.47Å; P701-F703 HydrophobicContact CB-CE1 3.15Å; P701-F703 HydrophobicContact CB-CG 4.38Å; P701-F703 HydrophobicContact CB-CZ 3.81Å; P701-F703 HydrophobicContact CG-CE1 3.78Å; P701-F703 HydrophobicContact CG-CZ 4.13Å; P701-F703 PolarHBondContact O-N 2.91Å; P701-F703 VanDerWaalsContact O-N 3.11Å; P701-Y704 PolarHBondContact O-N 2.71Å
702	D	85.8	Confident	79.5	Confident	170 Å²	170	67.8 Å²	67.8	91%	0.909	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.9	-176.2	-69.8	-26.9	0	0	0	114	Y704	D702-Y704 PolarHBondContact O-N 3Å
703	F	84.2	Confident	76.5	Confident	111 Å²	111	72.8 Å²	72.8	49%	0.487	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-18	176.4	73.5	-100	0	0	0	112.6	L662 P701	L662-F703 HydrophobicContact CD1-CZ 4.06Å; L662-F703 HydrophobicContact CD2-CE1 3.63Å; L662-F703 HydrophobicContact CD2-CE2 4.18Å; L662-F703 HydrophobicContact CD2-CZ 3.31Å; L662-F703 HydrophobicContact CG-CZ 4.29Å; P701-F703 HydrophobicContact CB-CD1 3.47Å; P701-F703 VanDerWaalsContact CB-CD1 3.47Å; P701-F703 HydrophobicContact CB-CE1 3.15Å; P701-F703 HydrophobicContact CB-CG 4.38Å; P701-F703 HydrophobicContact CB-CZ 3.81Å; P701-F703 HydrophobicContact CG-CE1 3.78Å; P701-F703 HydrophobicContact CG-CZ 4.13Å; P701-F703 PolarHBondContact O-N 2.91Å; P701-F703 VanDerWaalsContact O-N 3.11Å
704	Y	86.9	Confident	73.7	Confident	26 Å²	26	76.6 Å²	76.6	10%	0.102	45%	0.45	C	S	.	.			trans	-107.1	120.6	-175.8	-170.7	-96.8	0	0	0	111.1	V579 L651 D653 I660 I700 P701 D702	V579-Y704 HydrophobicContact CG1-CE1 4.15Å; L651-Y704 HydrophobicContact CD1-CD1 3.65Å; L651-Y704 HydrophobicContact CD1-CD2 3.92Å; L651-Y704 HydrophobicContact CD1-CE1 4.19Å; L651-Y704 HydrophobicContact CD1-CE2 4.44Å; L651-Y704 HydrophobicContact CD1-CG 3.49Å; L651-Y704 VanDerWaalsContact CD1-CG 3.49Å; L651-Y704 HydrophobicContact CD2-CD1 4.14Å; L651-Y704 HydrophobicContact CD2-CD2 4.36Å; L651-Y704 HydrophobicContact CD2-CE1 3.8Å; L651-Y704 HydrophobicContact CD2-CE2 4.06Å; L651-Y704 HydrophobicContact CD2-CG 4.4Å; L651-Y704 HydrophobicContact CG-CD1 4.48Å; D653-Y704 PolarHBondContact OD2-OH 2.82Å; I660-Y704 HydrophobicContact CD1-CD2 4.29Å; I660-Y704 HydrophobicContact CD1-CE2 3.81Å; I700-Y704 HydrophobicContact CG2-CD1 3.88Å; P701-Y704 PolarHBondContact O-N 2.71Å; D702-Y704 PolarHBondContact O-N 3Å
705	T	83.4	Confident	70.5	Confident	109 Å²	109	82.8 Å²	82.8	67%	0.669	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-98	117.3	171.1	-50.5	0	0	0	0	109.3	R656	R656-T705 PolarHBondContact NH2-O 3.22Å; R656-T705 VanDerWaalsContact NH2-O 3.09Å
706	P	79.1	Confident	67.3	Low	54 Å²	54	89 Å²	89	35%	0.351	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-51.5	150.2	175.5	-29.6	37.9	0	0	0	112.9	V579 I700	V579-P706 HydrophobicContact CG2-CB 4.05Å; I700-P706 HydrophobicContact CD1-CG 3.78Å; I700-P706 HydrophobicContact CG2-CG 4.42Å
707	G	66.7	Low	65.9	Low	15 Å²	15	92.7 Å²	92.7	16%	0.155	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-62.7	146.4	166	0	0	0	0	0	111.4	R656 A709	R656-G707 VanDerWaalsContact NE-CA 3.25Å; G707-A709 PolarHBondContact O-N 3.13Å
708	E	60.2	Low	64.5	Low	194 Å²	194	96.9 Å²	96.9	91%	0.907	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-67.5	126	161	-70.2	-172.4	167.1	0	0	107.5	D710	E708-D710 PolarHBondContact O-N 2.94Å; E708-D710 VanDerWaalsContact O-N 3.16Å
709	A	53.1	Low	62.9	Low	73 Å²	73	99.4 Å²	99.4	60%	0.603	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-65.2	116.1	174.6	0	0	0	0	0	108.8	T655 G707 P711	T655-A709 HydrophobicContact CG2-CB 4.29Å; G707-A709 PolarHBondContact O-N 3.13Å; A709-P711 VanDerWaalsContact O-CD 3.26Å; A709-P711 WeakPolarHBondContact O-CD 3.36Å
710	D	44.7	Very low	61.3	Low	103 Å²	103	99.9 Å²	99.9	55%	0.551	60%	0.599	S	S	*	*			trans	-67.4	115.1	174.9	-163.1	-26.3	0	0	0	108.5	E708 T712 S713	E708-D710 PolarHBondContact O-N 2.94Å; E708-D710 VanDerWaalsContact O-N 3.16Å; D710-T712 PolarHBondContact O-N 2.97Å; D710-T712 PolarHBondContact OD1-N 3.19Å; D710-T712 PolarHBondContact OD1-OG1 2.79Å; D710-S713 PolarHBondContact O-N 2.77Å; D710-S713 PolarHBondContact O-OG 3.16Å
711	P	45.5	Very low	59.5	Low	125 Å²	125	102.5 Å²	102.5	81%	0.812	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	2.1	-173.9	25.8	-33.6	0	0	0	114	A709	A709-P711 VanDerWaalsContact O-CD 3.26Å; A709-P711 WeakPolarHBondContact O-CD 3.36Å
712	T	37.6	Very low	57.5	Low	106 Å²	106	108 Å²	108	65%	0.65	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-4.1	-175	61.3	0	0	0	0	115.2	D710 S714	D710-T712 PolarHBondContact O-N 2.97Å; D710-T712 PolarHBondContact OD1-N 3.19Å; D710-T712 PolarHBondContact OD1-OG1 2.79Å; T712-S714 VanDerWaalsContact C-N 3.25Å; T712-S714 PolarHBondContact O-N 3.05Å
713	S	35.3	Very low	55.5	Low	104 Å²	104	103.6 Å²	103.6	73%	0.727	63%	0.632	S	S	*	*			trans	-86.6	57.1	177.6	60.1	0	0	0	0	112.5	D710	D710-S713 PolarHBondContact O-N 2.77Å; D710-S713 PolarHBondContact O-OG 3.16Å
714	S	39.5	Very low	53.2	Low	98 Å²	98	103 Å²	103	69%	0.685	64%	0.643	S	S	*	*			trans	-106.6	94.8	169.1	59	0	0	0	0	110	T712	T712-S714 VanDerWaalsContact C-N 3.25Å; T712-S714 PolarHBondContact O-N 3.05Å
715	V	30.1	Very low	50.4	Low	134 Å²	134	109.4 Å²	109.4	81%	0.812	69%	0.688	S	S	*	*			trans	-137.4	119.2	163.8	-173.1	0	0	0	0	110.2
716	C	30	Very low	47.4	Very low	198 Å²	198	109.5 Å²	109.5	100%	1.338	69%	0.69	S	S	*	*			trans	83.9	0	168.1	-68.1	0	0	0	0	118.8

Retrieved 716 of 716 residues in 405.3 ms (Link to these results)

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