A0A087XAK4_POEFO Loading...

Pre-mRNA-splicing factor ATP-dependent RNA helicase DHX16

Required for pre-mRNA splicing as a component of the spliceosome. Contributes to pre-mRNA splicing after spliceosome formation and prior to the first transesterification reaction. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs. Also plays a role in innate antiviral response by acting as a pattern recognition receptor sensing splicing signals in viral RNA. Mechanistically, TRIM6 promotes the interaction between unanchored 'Lys-48'-polyubiquitin chains and DHX16, leading to DHX16 interaction with RIGI and ssRNA to amplify RIGI-dependent innate antiviral immune responses.

AlphaFold DB , UniProt , Accession A0A087XAK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,052 aa.

						>A0A087XAK4_POEFO|A0A087XAK4
MAQLEQWVNDRLHDILGLSDRYVSQFMIGIARKASSPEDLVSRLEQTGTIDIDQSVSAFAKELFEKIPRQQVVEKPSKALERQAIEMDRKNRTYTLLEDSDSGEEVAADKQRGKKKKDKDKGSKRKNIRQKKASESSSDDEKLKRGGSVLEDHRSVKKEEEEEEWEKEERERLLDIEERDAFAQRVRQKDKEKTRNIAERTDKKAYEEAQKRLKMAEDDQKNMLPELRKRSRWEYLKKREEEKLEDLEAEIIDEEYLFSKEELTERERRELEYKRTLRDLAKDYKQAGAKEQEERKNRYYMPEERRSKDVPQRDLELDEAPMELGGEQGRWEEERLKTASLSFGARKERELGLKLEQDRYQLVLEEEEMIDFVSTAITMKGTRSDKDEAEPALSQAELKKRSMQEVRRSLPIFPYREDLLAAITEHQILVIEGETGSGKTTQIPQYLLEDGYTKGGMKIGCTQPRRVAAMSVAARVAEEMSVKLGNEVGYSIRFEDCTSERTVLKYMTDGMLLREFLTEPDLASYSVIIIDEAHERTLHTDILFGLIKDIARFRPDLKVLVASATLDTERFSCFFDDAPVFRIPGRRFPVDIFYTKAPEADYLDACVVSVLQIHVTQPPGDILVFLTGQEEIEACCEMLQERCRRLGSKIAELVVLPIYANLPSDMQAKIFSPTPPGARKVVVATNIAETSLTIDGIIYVIDPGFCKQKSYNARTGMESLIVTPCSRASANQRAGRAGRVAAGKCFRLYTAWAFKHEMEETTVPEIQRTNLGNVVLLLKSLGINDLIHFDFMDPPPHETLVLALEQLYALGALNHLGELTKLGRRMAELPVDPMLSKMILASEQYKCSEEVLTIAAMLSVNNSIFYRPKDKVVHADNARMNFVVPGGDHLVLLNVYTQWVESGYSTQWCYENFIQFRSMRRARDVRDQLEGLMERIEVEVVSCSGDNVPIRKAVTAGYFYHTARLSKGGYRTVKHQQTVFVHPNSSLFEEQPRWLIYHELVFTTKEFMRQVIEIDSGWLLEVAPHYYKSKELEDSSSKKMPRKQGKAREELG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	59.5	Low	78.4	Confident	112 Å²	112	74.3 Å²	74.3	55%	0.552	37%	0.371	S	S	*	.				0	-59.6	0	-70.3	-57.1	-78.1	0	0	111.4	Q3 L4 E5 I28 R32	M1-Q3 PolarHBondContact O-N 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.41Å; M1-E5 PolarHBondContact O-N 3.34Å; M1-I28 HydrophobicContact CE-CG2 4.41Å; M1-R32 PolarHBondContact SD-NH2 2.63Å
2	A	67.4	Low	78.4	Confident	75 Å²	75	68.7 Å²	68.7	62%	0.62	34%	0.343	S	S	*	.	H	α-helix	trans	-55.2	-42.1	179.8	0	0	0	0	0	114.7	L4 E5 Q6	A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.03Å; A2-E5 PolarHBondContact O-N 3.35Å; A2-Q6 WeakPolarHBondContact O-CB 3.35Å; A2-Q6 PolarHBondContact O-N 3.17Å
3	Q	76.4	Confident	78.5	Confident	173 Å²	173	71 Å²	71	81%	0.808	35%	0.352	S	S	*	.	H	α-helix	trans	-66.9	-30.3	175.6	-72.9	176.8	-10.9	0	0	113.8	M1 W7	M1-Q3 PolarHBondContact O-N 3.31Å; Q3-W7 WeakPolarHBondContact O-CB 3.46Å; Q3-W7 PolarHBondContact O-N 3.37Å; Q3-W7 VanDerWaalsContact O-N 3.12Å
4	L	80	Confident	78.5	Confident	23 Å²	23	74.1 Å²	74.1	12%	0.12	37%	0.37	C	S	.	.	H	α-helix	trans	-76.8	-42	177.9	-175	72	0	0	0	110.4	M1 A2 Q6 W7 V8 I28 K66 I67	M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.41Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.03Å; L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 3.44Å; L4-W7 PolarHBondContact O-N 3.4Å; L4-V8 WeakPolarHBondContact O-CB 3.46Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.15Å; L4-V8 PolarHBondContact O-N 3.29Å; L4-I28 HydrophobicContact CD2-CD1 4.39Å; L4-I28 HydrophobicContact CD2-CG2 4.48Å; L4-I28 HydrophobicContact CG-CD1 4.37Å; L4-K66 HydrophobicContact CD1-CB 3.94Å; L4-I67 HydrophobicContact CD2-CG1 4.04Å
5	E	80.9	Confident	78	Confident	36 Å²	36	72.7 Å²	72.7	17%	0.168	36%	0.364	C	S	.	.	H	α-helix	trans	-60.9	-40.1	174	-71.8	-179.5	165.2	0	0	111.7	M1 A2 N9 Q25 I28	M1-E5 PolarHBondContact O-N 3.34Å; A2-E5 PolarHBondContact O-N 3.35Å; E5-N9 PolarHBondContact O-N 3.12Å; E5-N9 PolarHBondContact O-ND2 3.27Å; E5-Q25 WeakPolarHBondContact OE1-CG 3.45Å; E5-Q25 PolarHBondContact OE1-NE2 2.77Å; E5-I28 HydrophobicContact CB-CD1 4.42Å; E5-I28 HydrophobicContact CG-CD1 3.71Å
6	Q	82.3	Confident	77.6	Confident	126 Å²	126	72.1 Å²	72.1	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-66	-46.6	176	-167.1	170.4	4	0	0	111.5	A2 L4 V8 N9 D10	A2-Q6 WeakPolarHBondContact O-CB 3.35Å; A2-Q6 PolarHBondContact O-N 3.17Å; L4-Q6 VanDerWaalsContact C-N 3.31Å; L4-Q6 PolarHBondContact O-N 3.44Å; Q6-V8 VanDerWaalsContact C-N 3.34Å; Q6-V8 PolarHBondContact O-N 2.97Å; Q6-N9 PolarHBondContact O-N 3.1Å; Q6-D10 VanDerWaalsContact O-CG 3.26Å; Q6-D10 PolarHBondContact O-N 2.79Å
7	W	85.9	Confident	77.3	Confident	57 Å²	57	71.2 Å²	71.2	22%	0.216	37%	0.374	C	S	.	.	H	α-helix	trans	-61.3	-39.7	176.5	-179	82.7	0	0	0	113.1	Q3 L4 D10 R11 F59 E62 L63 K66	Q3-W7 WeakPolarHBondContact O-CB 3.46Å; Q3-W7 PolarHBondContact O-N 3.37Å; Q3-W7 VanDerWaalsContact O-N 3.12Å; L4-W7 PolarHBondContact O-N 3.4Å; W7-D10 PolarHBondContact O-N 3.5Å; W7-R11 HydrophobicContact CD2-CG 4.32Å; W7-R11 HydrophobicContact CH2-CG 4.24Å; W7-R11 HydrophobicContact CZ2-CG 3.86Å; W7-R11 PolarHBondContact O-N 3.5Å; W7-F59 HydrophobicContact CH2-CD2 4.24Å; W7-F59 HydrophobicContact CH2-CE2 4.03Å; W7-F59 HydrophobicContact CZ3-CD2 4.48Å; W7-F59 AromaticContact CZ3-CE2 3.83Å; W7-F59 HydrophobicContact CZ3-CE2 3.83Å; W7-E62 HydrophobicContact CH2-CB 3.91Å; W7-E62 HydrophobicContact CZ2-CB 4.46Å; W7-L63 HydrophobicContact CZ3-CD1 4.28Å; W7-K66 HydrophobicContact CD2-CD 3.94Å; W7-K66 HydrophobicContact CE3-CD 3.94Å; W7-K66 HydrophobicContact CH2-CD 3.75Å; W7-K66 HydrophobicContact CZ2-CD 3.72Å; W7-K66 HydrophobicContact CZ3-CD 3.85Å
8	V	82.8	Confident	76.9	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-41.2	175.4	167.3	0	0	0	0	111	L4 Q6 R11 L12 I28 F59 L63	L4-V8 WeakPolarHBondContact O-CB 3.46Å; L4-V8 VanDerWaalsContact O-CG2 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 3.15Å; L4-V8 PolarHBondContact O-N 3.29Å; Q6-V8 VanDerWaalsContact C-N 3.34Å; Q6-V8 PolarHBondContact O-N 2.97Å; V8-R11 PolarHBondContact O-N 3.12Å; V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.23Å; V8-L12 VanDerWaalsContact O-CB 3.32Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CG 3.36Å; V8-L12 PolarHBondContact O-N 3.32Å; V8-I28 HydrophobicContact CB-CD1 4.45Å; V8-I28 HydrophobicContact CG2-CD1 4.12Å; V8-I28 HydrophobicContact CG2-CG1 4.07Å; V8-F59 HydrophobicContact CG1-CZ 4.22Å; V8-L63 HydrophobicContact CG2-CD1 3.48Å; V8-L63 VanDerWaalsContact CG2-CD1 3.48Å
9	N	82.2	Confident	76.4	Confident	29 Å²	29	74.6 Å²	74.6	16%	0.155	40%	0.4	C	S	.	.	H	α-helix	trans	-65.4	-43.5	176.3	-82.7	-54.4	0	0	0	112.5	E5 Q6 R11 L12 H13 D20 S24	E5-N9 PolarHBondContact O-N 3.12Å; E5-N9 PolarHBondContact O-ND2 3.27Å; Q6-N9 PolarHBondContact O-N 3.1Å; N9-R11 VanDerWaalsContact C-N 3.31Å; N9-R11 PolarHBondContact O-N 3.26Å; N9-L12 PolarHBondContact O-N 3Å; N9-H13 WeakPolarHBondContact O-CB 3.29Å; N9-H13 PolarHBondContact O-N 2.74Å; N9-D20 PolarHBondContact OD1-O 3.39Å; N9-S24 WeakPolarHBondContact ND2-CB 3.45Å; N9-S24 PolarHBondContact ND2-OG 3.11Å; N9-S24 VanDerWaalsContact ND2-OG 3.12Å; N9-S24 WeakPolarHBondContact OD1-CB 3.46Å
10	D	83.4	Confident	76.4	Confident	93 Å²	93	74.9 Å²	74.9	50%	0.497	40%	0.401	S	S	.	.	H	α-helix	trans	-61.5	-42.3	178.5	-64.3	-20.1	0	0	0	110.8	Q6 W7 H13 D14	Q6-D10 VanDerWaalsContact O-CG 3.26Å; Q6-D10 PolarHBondContact O-N 2.79Å; W7-D10 PolarHBondContact O-N 3.5Å; D10-H13 PolarHBondContact O-N 3.3Å; D10-D14 PolarHBondContact O-N 3.46Å
11	R	82.1	Confident	76.4	Confident	93 Å²	93	78.9 Å²	78.9	35%	0.351	41%	0.411	S	S	.	.	H	α-helix	trans	-71.7	-37.6	177.1	-76	-57.7	-151.2	-174.3	7.8	114.1	W7 V8 N9 H13 D14 I15 F59 E62	W7-R11 HydrophobicContact CD2-CG 4.32Å; W7-R11 HydrophobicContact CH2-CG 4.24Å; W7-R11 HydrophobicContact CZ2-CG 3.86Å; W7-R11 PolarHBondContact O-N 3.5Å; V8-R11 PolarHBondContact O-N 3.12Å; N9-R11 VanDerWaalsContact C-N 3.31Å; N9-R11 PolarHBondContact O-N 3.26Å; R11-H13 VanDerWaalsContact C-N 3.28Å; R11-D14 IonicContact NH1-OD2 2.79Å; R11-D14 PolarHBondContact O-N 2.94Å; R11-I15 WeakPolarHBondContact O-CB 3.5Å; R11-I15 VanDerWaalsContact O-CG1 3.27Å; R11-I15 WeakPolarHBondContact O-CG1 3.41Å; R11-I15 PolarHBondContact O-N 3.04Å; R11-F59 HydrophobicContact CB-CD2 3.76Å; R11-F59 HydrophobicContact CB-CE2 3.41Å; R11-F59 VanDerWaalsContact CB-CE2 3.41Å; R11-F59 HydrophobicContact CB-CZ 4.31Å; R11-F59 HydrophobicContact CG-CD2 4.24Å; R11-F59 HydrophobicContact CG-CE2 4.08Å; R11-E62 IonicContact NH2-OE2 2.77Å
12	L	77.8	Confident	77.3	Confident	7 Å²	7	82 Å²	82	4%	0.037	42%	0.418	C	S	.	.	H	α-helix	trans	-66.2	-34.6	174.4	-74.8	171.5	0	0	0	111.1	V8 N9 I15 L16 L18 V23 M27 F59	V8-L12 HydrophobicContact CG1-CD1 3.65Å; V8-L12 HydrophobicContact CG1-CG 4.23Å; V8-L12 VanDerWaalsContact O-CB 3.32Å; V8-L12 WeakPolarHBondContact O-CB 3.45Å; V8-L12 WeakPolarHBondContact O-CG 3.36Å; V8-L12 PolarHBondContact O-N 3.32Å; N9-L12 PolarHBondContact O-N 3Å; L12-I15 PolarHBondContact O-N 3.31Å; L12-L16 HydrophobicContact CD2-CD1 3.98Å; L12-L16 WeakPolarHBondContact O-CA 3.4Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 PolarHBondContact O-N 3.34Å; L12-L18 CarbonylContact C-O 3.51Å; L12-V23 HydrophobicContact CD1-CG1 4.23Å; L12-M27 HydrophobicContact CD1-CG 4.39Å; L12-F59 HydrophobicContact CD2-CE1 3.88Å; L12-F59 HydrophobicContact CD2-CZ 4.27Å; L12-F59 HydrophobicContact CG-CE1 4.31Å; L12-F59 HydrophobicContact CG-CZ 4.19Å
13	H	79.2	Confident	77.7	Confident	99 Å²	99	81.4 Å²	81.4	46%	0.458	41%	0.406	S	S	.	.	H	α-helix	trans	-64.7	-43.5	172.5	-175.3	-82.7	0	0	0	111.7	N9 D10 R11 I15 G17 L18	N9-H13 WeakPolarHBondContact O-CB 3.29Å; N9-H13 PolarHBondContact O-N 2.74Å; D10-H13 PolarHBondContact O-N 3.3Å; R11-H13 VanDerWaalsContact C-N 3.28Å; H13-I15 VanDerWaalsContact C-N 3.32Å; H13-I15 PolarHBondContact O-N 3.48Å; H13-G17 WeakPolarHBondContact O-CA 3.35Å; H13-G17 PolarHBondContact O-N 3.44Å; H13-L18 PolarHBondContact N-O 3.32Å
14	D	78.4	Confident	77.7	Confident	114 Å²	114	73.1 Å²	73.1	61%	0.61	37%	0.368	S	S	*	.	H	α-helix	trans	-63.8	-34.4	177.1	-72.8	-15.4	0	0	0	113.4	D10 R11	D10-D14 PolarHBondContact O-N 3.46Å; R11-D14 IonicContact NH1-OD2 2.79Å; R11-D14 PolarHBondContact O-N 2.94Å
15	I	72.1	Confident	77.8	Confident	54 Å²	54	75.7 Å²	75.7	28%	0.277	38%	0.379	S	S	.	.	H	α-helix	trans	-93.6	-41.7	-172.4	-63.4	168.6	0	0	0	112.3	R11 L12 H13 V56 F59	R11-I15 WeakPolarHBondContact O-CB 3.5Å; R11-I15 VanDerWaalsContact O-CG1 3.27Å; R11-I15 WeakPolarHBondContact O-CG1 3.41Å; R11-I15 PolarHBondContact O-N 3.04Å; L12-I15 PolarHBondContact O-N 3.31Å; H13-I15 VanDerWaalsContact C-N 3.32Å; H13-I15 PolarHBondContact O-N 3.48Å; I15-V56 HydrophobicContact CG2-CG2 3.82Å; I15-F59 HydrophobicContact CD1-CB 3.57Å; I15-F59 HydrophobicContact CD1-CD1 4.47Å; I15-F59 HydrophobicContact CD1-CD2 4.14Å; I15-F59 HydrophobicContact CD1-CG 3.8Å
16	L	71.3	Confident	77.8	Confident	63 Å²	63	79.1 Å²	79.1	33%	0.33	39%	0.393	S	S	.	.	H	α-helix	trans	-115.3	-5.5	-171.9	-61.7	173.6	0	0	0	113.3	L12 L18 I50	L12-L16 HydrophobicContact CD2-CD1 3.98Å; L12-L16 WeakPolarHBondContact O-CA 3.4Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 PolarHBondContact O-N 3.34Å; L16-L18 HydrophobicContact CB-CB 4.44Å; L16-L18 HydrophobicContact CB-CD1 4.49Å; L16-L18 PolarHBondContact O-N 3.19Å; L16-I50 HydrophobicContact CD1-CD1 3.91Å; L16-I50 HydrophobicContact CD1-CG1 4.17Å; L16-I50 HydrophobicContact CD1-CG2 4.08Å; L16-I50 HydrophobicContact CD2-CG2 3.91Å
17	G	72.7	Confident	77.6	Confident	56 Å²	56	73.4 Å²	73.4	58%	0.577	37%	0.367	S	S	*	.	S	Bend	trans	66.5	16.1	-174.5	0	0	0	0	0	113.8	H13	H13-G17 WeakPolarHBondContact O-CA 3.35Å; H13-G17 PolarHBondContact O-N 3.44Å
18	L	69.4	Low	77.5	Confident	124 Å²	124	71 Å²	71	65%	0.649	36%	0.358	S	S	*	.			trans	-123.6	127.7	-174.6	-70.2	166.4	0	0	0	110.1	L12 H13 L16	L12-L18 CarbonylContact C-O 3.51Å; H13-L18 PolarHBondContact N-O 3.32Å; L16-L18 HydrophobicContact CB-CB 4.44Å; L16-L18 HydrophobicContact CB-CD1 4.49Å; L16-L18 PolarHBondContact O-N 3.19Å
19	S	68.3	Low	77.5	Confident	84 Å²	84	72.5 Å²	72.5	59%	0.587	37%	0.373	S	S	*	.			trans	-123.1	97.8	171.9	64.6	0	0	0	0	109.9
20	D	75.6	Confident	77.5	Confident	79 Å²	79	72.1 Å²	72.1	42%	0.422	37%	0.371	S	S	.	.			trans	-130	129.5	172.9	-172.5	-3.1	0	0	0	110.5	N9 Y22 V23 S24	N9-D20 PolarHBondContact OD1-O 3.39Å; D20-Y22 VanDerWaalsContact C-N 3.26Å; D20-Y22 PolarHBondContact O-N 3.36Å; D20-Y22 PolarHBondContact OD1-N 3.5Å; D20-V23 HydrophobicContact CB-CB 4.37Å; D20-V23 HydrophobicContact CB-CG2 3.96Å; D20-V23 PolarHBondContact O-N 3.38Å; D20-S24 PolarHBondContact O-N 3.25Å; D20-S24 VanDerWaalsContact O-N 3.07Å
21	R	77	Confident	77.5	Confident	160 Å²	160	67.7 Å²	67.7	60%	0.604	35%	0.348	S	S	*	.	H	α-helix	trans	-57.8	-39	-179.4	-173.7	177.9	177.6	-177.5	-0.9	111.5	S24 Q25	R21-S24 PolarHBondContact O-N 3.07Å; R21-S24 PolarHBondContact O-OG 3.34Å; R21-Q25 WeakPolarHBondContact O-CG 3.21Å; R21-Q25 PolarHBondContact O-N 3.1Å; R21-Q25 VanDerWaalsContact O-N 3.1Å
22	Y	77.9	Confident	77.5	Confident	177 Å²	177	69.7 Å²	69.7	69%	0.694	36%	0.355	S	S	*	.	H	α-helix	trans	-68.3	-37.4	-179.4	-67.2	-76.7	0	0	0	112.3	D20 Q25 F26	D20-Y22 VanDerWaalsContact C-N 3.26Å; D20-Y22 PolarHBondContact O-N 3.36Å; D20-Y22 PolarHBondContact OD1-N 3.5Å; Y22-Q25 PolarHBondContact O-N 2.99Å; Y22-F26 WeakPolarHBondContact O-CB 3.35Å; Y22-F26 PolarHBondContact O-N 3.44Å
23	V	75.6	Confident	77.7	Confident	62 Å²	62	77.1 Å²	77.1	38%	0.376	39%	0.387	S	S	.	.	H	α-helix	trans	-66.4	-42.4	175.8	-179.1	0	0	0	0	110.4	L12 D20 Q25 F26 M27	L12-V23 HydrophobicContact CD1-CG1 4.23Å; D20-V23 HydrophobicContact CB-CB 4.37Å; D20-V23 HydrophobicContact CB-CG2 3.96Å; D20-V23 PolarHBondContact O-N 3.38Å; V23-Q25 VanDerWaalsContact C-N 3.34Å; V23-Q25 PolarHBondContact O-N 2.92Å; V23-F26 PolarHBondContact O-N 2.94Å; V23-M27 HydrophobicContact CG1-CG 4.46Å; V23-M27 VanDerWaalsContact O-CG 3.29Å; V23-M27 WeakPolarHBondContact O-CG 3.5Å; V23-M27 PolarHBondContact O-N 2.81Å
24	S	77.4	Confident	77.8	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-40.1	176.3	71	0	0	0	0	113.1	N9 D20 R21 M27 I28	N9-S24 WeakPolarHBondContact ND2-CB 3.45Å; N9-S24 PolarHBondContact ND2-OG 3.11Å; N9-S24 VanDerWaalsContact ND2-OG 3.12Å; N9-S24 WeakPolarHBondContact OD1-CB 3.46Å; D20-S24 PolarHBondContact O-N 3.25Å; D20-S24 VanDerWaalsContact O-N 3.07Å; R21-S24 PolarHBondContact O-N 3.07Å; R21-S24 PolarHBondContact O-OG 3.34Å; S24-M27 PolarHBondContact O-N 2.97Å; S24-I28 WeakPolarHBondContact O-CD1 3.43Å; S24-I28 VanDerWaalsContact O-CG1 3.25Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.14Å
25	Q	81.3	Confident	77.9	Confident	77 Å²	77	71.3 Å²	71.3	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-70.4	-38.1	177.3	-72.7	-173.2	-19.8	0	0	112.4	E5 R21 Y22 V23 I28 G29	E5-Q25 WeakPolarHBondContact OE1-CG 3.45Å; E5-Q25 PolarHBondContact OE1-NE2 2.77Å; R21-Q25 WeakPolarHBondContact O-CG 3.21Å; R21-Q25 PolarHBondContact O-N 3.1Å; R21-Q25 VanDerWaalsContact O-N 3.1Å; Y22-Q25 PolarHBondContact O-N 2.99Å; V23-Q25 VanDerWaalsContact C-N 3.34Å; V23-Q25 PolarHBondContact O-N 2.92Å; Q25-I28 PolarHBondContact O-N 2.84Å; Q25-G29 PolarHBondContact O-N 3.36Å
26	F	80.6	Confident	78.4	Confident	108 Å²	108	70.4 Å²	70.4	47%	0.474	37%	0.365	S	S	.	.	H	α-helix	trans	-61	-47.3	173.9	-178.7	-104.2	0	0	0	111.5	Y22 V23 I28 G29 I30 T47	Y22-F26 WeakPolarHBondContact O-CB 3.35Å; Y22-F26 PolarHBondContact O-N 3.44Å; V23-F26 PolarHBondContact O-N 2.94Å; F26-I28 PolarHBondContact O-N 2.98Å; F26-G29 WeakPolarHBondContact O-CA 2.97Å; F26-G29 PolarHBondContact O-N 3.44Å; F26-G29 VanDerWaalsContact O-N 3.12Å; F26-I30 HydrophobicContact CD1-CD1 3.94Å; F26-I30 HydrophobicContact CE1-CD1 3.35Å; F26-I30 HydrophobicContact CE1-CG1 4.39Å; F26-I30 HydrophobicContact CE2-CD1 4.22Å; F26-I30 HydrophobicContact CZ-CD1 3.53Å; F26-I30 HydrophobicContact CZ-CG1 4.37Å; F26-I30 PolarHBondContact O-N 3.06Å; F26-T47 HydrophobicContact CZ-CG2 4.2Å
27	M	78.7	Confident	78.8	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.03	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-44.3	177.4	-69.7	-63.6	-72.7	0	0	112.5	L12 V23 S24 G29 I30 A31 L44 I50 F59 L63	L12-M27 HydrophobicContact CD1-CG 4.39Å; V23-M27 HydrophobicContact CG1-CG 4.46Å; V23-M27 VanDerWaalsContact O-CG 3.29Å; V23-M27 WeakPolarHBondContact O-CG 3.5Å; V23-M27 PolarHBondContact O-N 2.81Å; S24-M27 PolarHBondContact O-N 2.97Å; M27-G29 VanDerWaalsContact C-N 3.29Å; M27-G29 PolarHBondContact O-N 3.47Å; M27-I30 PolarHBondContact O-N 3.43Å; M27-A31 VanDerWaalsContact O-CB 3.32Å; M27-A31 WeakPolarHBondContact O-CB 3.27Å; M27-A31 PolarHBondContact O-N 2.75Å; M27-L44 HydrophobicContact CE-CD1 3.81Å; M27-L44 HydrophobicContact CE-CD2 3.62Å; M27-L44 HydrophobicContact CE-CG 4.39Å; M27-L44 HydrophobicContact SD-CD2 3.43Å; M27-L44 WeakPolarHBondContact SD-CD2 3.43Å; M27-I50 HydrophobicContact SD-CD1 4.31Å; M27-F59 HydrophobicContact CE-CE1 4.11Å; M27-L63 HydrophobicContact CB-CD2 4.39Å
28	I	83.7	Confident	79.1	Confident	6 Å²	6	73.4 Å²	73.4	3%	0.031	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-36.5	175.4	-67.4	165.5	0	0	0	110.8	M1 L4 E5 V8 S24 Q25 F26 R32	M1-I28 HydrophobicContact CE-CG2 4.41Å; L4-I28 HydrophobicContact CD2-CD1 4.39Å; L4-I28 HydrophobicContact CD2-CG2 4.48Å; L4-I28 HydrophobicContact CG-CD1 4.37Å; E5-I28 HydrophobicContact CB-CD1 4.42Å; E5-I28 HydrophobicContact CG-CD1 3.71Å; V8-I28 HydrophobicContact CB-CD1 4.45Å; V8-I28 HydrophobicContact CG2-CD1 4.12Å; V8-I28 HydrophobicContact CG2-CG1 4.07Å; S24-I28 WeakPolarHBondContact O-CD1 3.43Å; S24-I28 VanDerWaalsContact O-CG1 3.25Å; S24-I28 WeakPolarHBondContact O-CG1 3.45Å; S24-I28 PolarHBondContact O-N 3.14Å; Q25-I28 PolarHBondContact O-N 2.84Å; F26-I28 PolarHBondContact O-N 2.98Å; I28-R32 WeakPolarHBondContact O-CG 3.5Å; I28-R32 PolarHBondContact O-N 2.98Å
29	G	82	Confident	79.7	Confident	31 Å²	31	69.1 Å²	69.1	32%	0.32	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-44.5	176.4	0	0	0	0	0	113.3	Q25 F26 M27 K33	Q25-G29 PolarHBondContact O-N 3.36Å; F26-G29 WeakPolarHBondContact O-CA 2.97Å; F26-G29 PolarHBondContact O-N 3.44Å; F26-G29 VanDerWaalsContact O-N 3.12Å; M27-G29 VanDerWaalsContact C-N 3.29Å; M27-G29 PolarHBondContact O-N 3.47Å; G29-K33 PolarHBondContact O-N 3.27Å
30	I	83	Confident	80.4	Confident	22 Å²	22	65.1 Å²	65.1	11%	0.113	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-45	176	-63.8	177.4	0	0	0	110.3	F26 M27 R32 K33 A34 L40 R43 L44 T47	F26-I30 HydrophobicContact CD1-CD1 3.94Å; F26-I30 HydrophobicContact CE1-CD1 3.35Å; F26-I30 HydrophobicContact CE1-CG1 4.39Å; F26-I30 HydrophobicContact CE2-CD1 4.22Å; F26-I30 HydrophobicContact CZ-CD1 3.53Å; F26-I30 HydrophobicContact CZ-CG1 4.37Å; F26-I30 PolarHBondContact O-N 3.06Å; M27-I30 PolarHBondContact O-N 3.43Å; I30-R32 VanDerWaalsContact C-N 3.26Å; I30-R32 PolarHBondContact O-N 3.04Å; I30-K33 PolarHBondContact O-N 3.39Å; I30-A34 PolarHBondContact O-N 3.04Å; I30-A34 VanDerWaalsContact O-N 3.07Å; I30-L40 HydrophobicContact CB-CD1 4.29Å; I30-L40 HydrophobicContact CG2-CD1 3.56Å; I30-R43 HydrophobicContact CG2-CB 4.01Å; I30-L44 HydrophobicContact CD1-CD2 4.25Å; I30-T47 HydrophobicContact CD1-CG2 4.37Å
31	A	83	Confident	80.6	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-29.3	-178.9	0	0	0	0	0	113.6	M27 L40 L63 I67 R69	M27-A31 VanDerWaalsContact O-CB 3.32Å; M27-A31 WeakPolarHBondContact O-CB 3.27Å; M27-A31 PolarHBondContact O-N 2.75Å; A31-L40 HydrophobicContact CB-CD1 3.92Å; A31-L40 HydrophobicContact CB-CD2 3.68Å; A31-L40 HydrophobicContact CB-CG 4.47Å; A31-L63 HydrophobicContact CB-CD2 4.06Å; A31-L63 HydrophobicContact CB-CG 4.11Å; A31-I67 HydrophobicContact CB-CD1 3.23Å; A31-R69 PolarHBondContact O-NH2 3.49Å
32	R	82.9	Confident	80.8	Confident	135 Å²	135	57.3 Å²	57.3	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-69.3	-32.7	170.3	-79.7	176.8	170.9	-160.5	-6.9	113.8	M1 I28 I30 I67	M1-R32 PolarHBondContact SD-NH2 2.63Å; I28-R32 WeakPolarHBondContact O-CG 3.5Å; I28-R32 PolarHBondContact O-N 2.98Å; I30-R32 VanDerWaalsContact C-N 3.26Å; I30-R32 PolarHBondContact O-N 3.04Å; R32-I67 HydrophobicContact CG-CG2 4.03Å
33	K	81.5	Confident	80.9	Confident	162 Å²	162	52.5 Å²	52.5	70%	0.704	27%	0.271	S	S	*	.	H	α-helix	trans	-85.5	-13.7	-179.2	-67.9	-179.8	179	-177.3	0	112.9	G29 I30 R43	G29-K33 PolarHBondContact O-N 3.27Å; I30-K33 PolarHBondContact O-N 3.39Å; K33-R43 VanDerWaalsContact C-NH1 3.29Å; K33-R43 PolarHBondContact O-NH1 3.45Å; K33-R43 PolarHBondContact O-NH2 2.9Å
34	A	81.8	Confident	80.9	Confident	3 Å²	3	50 Å²	50	3%	0.025	26%	0.256	C	S	.	.			trans	-77.9	137.3	-178.5	0	0	0	0	0	111.9	I30 L40 F64 R69	I30-A34 PolarHBondContact O-N 3.04Å; I30-A34 VanDerWaalsContact O-N 3.07Å; A34-L40 HydrophobicContact CB-CB 3.71Å; A34-L40 HydrophobicContact CB-CD1 4.23Å; A34-L40 HydrophobicContact CB-CG 4.5Å; A34-F64 HydrophobicContact CB-CD2 4.44Å; A34-F64 HydrophobicContact CB-CE2 4.11Å; A34-R69 PolarHBondContact O-NH1 2.89Å; A34-R69 PolarHBondContact O-NH2 2.84Å
35	S	81	Confident	80.9	Confident	88 Å²	88	55.5 Å²	55.5	62%	0.615	28%	0.281	S	S	*	.	S	Bend	trans	-84.3	-34	-178.9	59.1	0	0	0	0	112.9	D39 R69	S35-D39 PolarHBondContact N-OD2 3.3Å; S35-D39 PolarHBondContact OG-OD2 3.41Å; S35-R69 PolarHBondContact O-NH1 3.16Å
36	S	82	Confident	80.8	Confident	35 Å²	35	59.1 Å²	59.1	25%	0.245	30%	0.298	C	S	.	.	S	Bend	trans	-135.5	164.4	175.4	73.2	0	0	0	0	111.5	E38 D39 L40 F64	S36-E38 PolarHBondContact O-N 3.43Å; S36-E38 PolarHBondContact OG-N 3.36Å; S36-D39 PolarHBondContact O-N 3.07Å; S36-D39 WeakPolarHBondContact OG-CB 3.47Å; S36-D39 PolarHBondContact OG-N 3.49Å; S36-D39 VanDerWaalsContact OG-N 3.07Å; S36-L40 PolarHBondContact O-N 3.04Å; S36-F64 VanDerWaalsContact O-CE2 3.31Å; S36-F64 WeakPolarHBondContact O-CE2 3.37Å
37	P	78.5	Confident	80.3	Confident	39 Å²	39	56.6 Å²	56.6	25%	0.253	29%	0.292	S	S	.	.	H	α-helix	trans	-61	-31.7	173.6	-21.1	31.8	0	0	0	112.9	L40 V41 K61 F64	P37-L40 PolarHBondContact O-N 3.27Å; P37-V41 WeakPolarHBondContact O-CG2 3.31Å; P37-V41 PolarHBondContact O-N 2.86Å; P37-K61 HydrophobicContact CB-CG 4.01Å; P37-F64 HydrophobicContact CB-CG 4.41Å; P37-F64 HydrophobicContact CG-CD1 3.76Å; P37-F64 HydrophobicContact CG-CE1 3.94Å; P37-F64 HydrophobicContact CG-CG 4.05Å; P37-F64 HydrophobicContact CG-CZ 4.34Å
38	E	80.4	Confident	79.6	Confident	144 Å²	144	59.6 Å²	59.6	67%	0.673	32%	0.324	S	S	*	.	H	α-helix	trans	-72.1	-37.1	176.3	-66.1	133.2	-174.1	0	0	111.9	S36 L40 V41 S42	S36-E38 PolarHBondContact O-N 3.43Å; S36-E38 PolarHBondContact OG-N 3.36Å; E38-L40 VanDerWaalsContact C-N 3.31Å; E38-V41 PolarHBondContact O-N 2.75Å; E38-S42 WeakPolarHBondContact O-CB 3.37Å; E38-S42 PolarHBondContact O-N 3.3Å
39	D	82.3	Confident	78.6	Confident	34 Å²	34	64 Å²	64	18%	0.182	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-35.7	172.7	179.9	29.3	0	0	0	111.1	S35 S36 S42 R43	S35-D39 PolarHBondContact N-OD2 3.3Å; S35-D39 PolarHBondContact OG-OD2 3.41Å; S36-D39 PolarHBondContact O-N 3.07Å; S36-D39 WeakPolarHBondContact OG-CB 3.47Å; S36-D39 PolarHBondContact OG-N 3.49Å; S36-D39 VanDerWaalsContact OG-N 3.07Å; D39-S42 PolarHBondContact O-N 2.84Å; D39-R43 WeakPolarHBondContact O-CB 3.26Å; D39-R43 VanDerWaalsContact O-CG 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.43Å; D39-R43 PolarHBondContact O-N 2.76Å; D39-R43 IonicContact OD1-CZ 3.66Å; D39-R43 IonicContact OD1-NE 3.98Å; D39-R43 PolarHBondContact OD1-NE 3.1Å; D39-R43 IonicContact OD1-NH2 4Å; D39-R43 PolarHBondContact OD1-NH2 3.47Å; D39-R43 IonicContact OD2-CZ 3.38Å; D39-R43 IonicContact OD2-NE 3.57Å; D39-R43 IonicContact OD2-NH2 2.92Å; D39-R43 PolarHBondContact OD2-NH2 3.35Å
40	L	82.4	Confident	77.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-46.3	173.3	179.4	54.7	0	0	0	111.9	I30 A31 A34 S36 P37 E38 R43 L44 A60 F64	I30-L40 HydrophobicContact CB-CD1 4.29Å; I30-L40 HydrophobicContact CG2-CD1 3.56Å; A31-L40 HydrophobicContact CB-CD1 3.92Å; A31-L40 HydrophobicContact CB-CD2 3.68Å; A31-L40 HydrophobicContact CB-CG 4.47Å; A34-L40 HydrophobicContact CB-CB 3.71Å; A34-L40 HydrophobicContact CB-CD1 4.23Å; A34-L40 HydrophobicContact CB-CG 4.5Å; S36-L40 PolarHBondContact O-N 3.04Å; P37-L40 PolarHBondContact O-N 3.27Å; E38-L40 VanDerWaalsContact C-N 3.31Å; L40-R43 PolarHBondContact O-N 3.48Å; L40-L44 HydrophobicContact CD1-CD1 4.21Å; L40-L44 HydrophobicContact CD1-CG 4.38Å; L40-L44 HydrophobicContact CG-CD1 4.19Å; L40-L44 VanDerWaalsContact O-CG 3.29Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.83Å; L40-L44 VanDerWaalsContact O-N 3.1Å; L40-A60 HydrophobicContact CD2-CB 4.23Å; L40-A60 WeakPolarHBondContact CD2-O 3.3Å; L40-A60 HydrophobicContact CG-CB 4.37Å; L40-F64 HydrophobicContact CB-CD2 4.42Å; L40-F64 HydrophobicContact CD2-CB 4.2Å; L40-F64 HydrophobicContact CD2-CD2 4.22Å
41	V	80	Confident	77.2	Confident	27 Å²	27	70.2 Å²	70.2	16%	0.164	38%	0.377	C	S	.	.	H	α-helix	trans	-62.8	-46.1	176.9	176.2	0	0	0	0	110.4	P37 E38 R43 L44 E45 I52 A60	P37-V41 WeakPolarHBondContact O-CG2 3.31Å; P37-V41 PolarHBondContact O-N 2.86Å; E38-V41 PolarHBondContact O-N 2.75Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 3.35Å; V41-L44 WeakPolarHBondContact O-CB 3.29Å; V41-L44 PolarHBondContact O-N 2.84Å; V41-E45 WeakPolarHBondContact O-CG 3.2Å; V41-E45 PolarHBondContact O-N 3.42Å; V41-I52 HydrophobicContact CG1-CG2 4.47Å; V41-A60 HydrophobicContact CG2-CB 3.77Å
42	S	79.8	Confident	76.5	Confident	48 Å²	48	73 Å²	73	34%	0.336	39%	0.392	S	S	.	.	H	α-helix	trans	-55.1	-43.9	176.9	-176.9	0	0	0	0	113	E38 D39 L44 E45 Q46	E38-S42 WeakPolarHBondContact O-CB 3.37Å; E38-S42 PolarHBondContact O-N 3.3Å; D39-S42 PolarHBondContact O-N 2.84Å; S42-L44 VanDerWaalsContact C-N 3.33Å; S42-L44 PolarHBondContact O-N 3.35Å; S42-E45 PolarHBondContact O-N 2.8Å; S42-Q46 WeakPolarHBondContact O-CG 3.35Å; S42-Q46 PolarHBondContact O-N 2.83Å; S42-Q46 VanDerWaalsContact O-N 3.1Å
43	R	80.6	Confident	76	Confident	76 Å²	76	71.8 Å²	71.8	29%	0.287	40%	0.395	S	S	.	.	H	α-helix	trans	-69.6	-29.5	177.7	-70.9	179.7	-163.7	-166.6	7	113.3	I30 K33 D39 L40 V41 T47	I30-R43 HydrophobicContact CG2-CB 4.01Å; K33-R43 VanDerWaalsContact C-NH1 3.29Å; K33-R43 PolarHBondContact O-NH1 3.45Å; K33-R43 PolarHBondContact O-NH2 2.9Å; D39-R43 WeakPolarHBondContact O-CB 3.26Å; D39-R43 VanDerWaalsContact O-CG 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.43Å; D39-R43 PolarHBondContact O-N 2.76Å; D39-R43 IonicContact OD1-CZ 3.66Å; D39-R43 IonicContact OD1-NE 3.98Å; D39-R43 PolarHBondContact OD1-NE 3.1Å; D39-R43 IonicContact OD1-NH2 4Å; D39-R43 PolarHBondContact OD1-NH2 3.47Å; D39-R43 IonicContact OD2-CZ 3.38Å; D39-R43 IonicContact OD2-NE 3.57Å; D39-R43 IonicContact OD2-NH2 2.92Å; D39-R43 PolarHBondContact OD2-NH2 3.35Å; L40-R43 PolarHBondContact O-N 3.48Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 3.35Å; R43-T47 PolarHBondContact O-N 3.41Å; R43-T47 PolarHBondContact O-OG1 3.03Å
44	L	76.1	Confident	75.7	Confident	9 Å²	9	72.5 Å²	72.5	5%	0.047	40%	0.401	C	S	.	.	H	α-helix	trans	-71.6	-37.6	173.8	-69.8	168	0	0	0	111.2	M27 I30 L40 V41 S42 Q46 T47 A60	M27-L44 HydrophobicContact CE-CD1 3.81Å; M27-L44 HydrophobicContact CE-CD2 3.62Å; M27-L44 HydrophobicContact CE-CG 4.39Å; M27-L44 HydrophobicContact SD-CD2 3.43Å; M27-L44 WeakPolarHBondContact SD-CD2 3.43Å; I30-L44 HydrophobicContact CD1-CD2 4.25Å; L40-L44 HydrophobicContact CD1-CD1 4.21Å; L40-L44 HydrophobicContact CD1-CG 4.38Å; L40-L44 HydrophobicContact CG-CD1 4.19Å; L40-L44 VanDerWaalsContact O-CG 3.29Å; L40-L44 WeakPolarHBondContact O-CG 3.42Å; L40-L44 PolarHBondContact O-N 2.83Å; L40-L44 VanDerWaalsContact O-N 3.1Å; V41-L44 WeakPolarHBondContact O-CB 3.29Å; V41-L44 PolarHBondContact O-N 2.84Å; S42-L44 VanDerWaalsContact C-N 3.33Å; S42-L44 PolarHBondContact O-N 3.35Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.41Å; L44-T47 PolarHBondContact O-N 2.9Å; L44-T47 PolarHBondContact O-OG1 3.48Å; L44-A60 HydrophobicContact CD1-CB 4.3Å
45	E	77.7	Confident	75.3	Confident	115 Å²	115	75.1 Å²	75.1	54%	0.537	42%	0.419	S	S	.	.	H	α-helix	trans	-64.7	-39.8	173.4	-12.6	-161.3	112	0	0	111.2	V41 S42 T47 G48 I52	V41-E45 WeakPolarHBondContact O-CG 3.2Å; V41-E45 PolarHBondContact O-N 3.42Å; S42-E45 PolarHBondContact O-N 2.8Å; E45-T47 PolarHBondContact O-N 3.27Å; E45-G48 PolarHBondContact O-N 2.97Å; E45-G48 VanDerWaalsContact O-N 3.12Å; E45-I52 HydrophobicContact CB-CD1 3.42Å; E45-I52 VanDerWaalsContact CB-CD1 3.42Å; E45-I52 HydrophobicContact CG-CD1 3.15Å; E45-I52 WeakPolarHBondContact OE1-CD1 3.47Å
46	Q	78	Confident	74.9	Confident	154 Å²	154	71.5 Å²	71.5	72%	0.72	39%	0.393	S	S	*	.	H	α-helix	trans	-63	-27.8	179	-73	173.3	15.8	0	0	113.6	S42 L44 G48	S42-Q46 WeakPolarHBondContact O-CG 3.35Å; S42-Q46 PolarHBondContact O-N 2.83Å; S42-Q46 VanDerWaalsContact O-N 3.1Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.41Å; Q46-G48 VanDerWaalsContact C-N 3.3Å; Q46-G48 PolarHBondContact O-N 2.83Å
47	T	71.9	Confident	74.6	Confident	55 Å²	55	71.5 Å²	71.5	34%	0.337	39%	0.393	S	S	.	.	H	α-helix	trans	-74.3	-18.8	177.3	44.5	0	0	0	0	113.6	F26 I30 R43 L44 E45 T49	F26-T47 HydrophobicContact CZ-CG2 4.2Å; I30-T47 HydrophobicContact CD1-CG2 4.37Å; R43-T47 PolarHBondContact O-N 3.41Å; R43-T47 PolarHBondContact O-OG1 3.03Å; L44-T47 PolarHBondContact O-N 2.9Å; L44-T47 PolarHBondContact O-OG1 3.48Å; E45-T47 PolarHBondContact O-N 3.27Å; T47-T49 PolarHBondContact O-N 2.84Å; T47-T49 PolarHBondContact OG1-OG1 2.95Å
48	G	64	Low	74.8	Confident	69 Å²	69	72 Å²	72	71%	0.711	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	13.3	176.9	0	0	0	0	0	115.2	E45 Q46	E45-G48 PolarHBondContact O-N 2.97Å; E45-G48 VanDerWaalsContact O-N 3.12Å; Q46-G48 VanDerWaalsContact C-N 3.3Å; Q46-G48 PolarHBondContact O-N 2.83Å
49	T	62.8	Low	74.9	Confident	99 Å²	99	65.4 Å²	65.4	61%	0.607	37%	0.37	S	S	*	.	S	Bend	trans	-93.7	-18.6	-173	42.9	0	0	0	0	114	T47	T47-T49 PolarHBondContact O-N 2.84Å; T47-T49 PolarHBondContact OG1-OG1 2.95Å
50	I	66.3	Low	74.8	Confident	33 Å²	33	63.9 Å²	63.9	17%	0.169	36%	0.361	C	S	.	.	S	Bend	trans	-140.1	127.6	-177	-59	168.8	0	0	0	108.8	L16 M27 V56	L16-I50 HydrophobicContact CD1-CD1 3.91Å; L16-I50 HydrophobicContact CD1-CG1 4.17Å; L16-I50 HydrophobicContact CD1-CG2 4.08Å; L16-I50 HydrophobicContact CD2-CG2 3.91Å; M27-I50 HydrophobicContact SD-CD1 4.31Å; I50-V56 HydrophobicContact CG2-CG1 4.34Å; I50-V56 HydrophobicContact CG2-CG2 4.34Å
51	D	67.8	Low	74.8	Confident	150 Å²	150	69 Å²	69	80%	0.802	38%	0.384	S	S	*	.			trans	-70.6	131.2	171.7	-71.5	-34.9	0	0	0	110.2	D53	D51-D53 PolarHBondContact O-N 3.21Å
52	I	68.7	Low	75	Confident	59 Å²	59	71.4 Å²	71.4	30%	0.303	39%	0.393	S	S	.	.			trans	-91.5	99.7	-168.2	-60.3	171.2	0	0	0	110.3	V41 E45	V41-I52 HydrophobicContact CG1-CG2 4.47Å; E45-I52 HydrophobicContact CB-CD1 3.42Å; E45-I52 VanDerWaalsContact CB-CD1 3.42Å; E45-I52 HydrophobicContact CG-CD1 3.15Å; E45-I52 WeakPolarHBondContact OE1-CD1 3.47Å
53	D	73.3	Confident	75.2	Confident	109 Å²	109	69.1 Å²	69.1	58%	0.583	38%	0.377	S	S	*	.			trans	-91.4	163.7	167.6	-78.6	-22.9	0	0	0	112.1	D51 S55 V56 S57	D51-D53 PolarHBondContact O-N 3.21Å; D53-S55 PolarHBondContact O-N 3.13Å; D53-S55 VanDerWaalsContact O-N 3.12Å; D53-V56 HydrophobicContact CB-CG2 4.49Å; D53-V56 PolarHBondContact O-N 3.13Å; D53-S57 PolarHBondContact O-N 2.78Å; D53-S57 VanDerWaalsContact O-N 3.1Å
54	Q	74.5	Confident	75.4	Confident	177 Å²	177	66.7 Å²	66.7	83%	0.827	37%	0.369	S	S	*	.	H	α-helix	trans	-54.9	-31.8	175.6	-73.1	-177.4	-0.2	0	0	112.3	S57 A58	Q54-S57 PolarHBondContact O-N 2.93Å; Q54-S57 PolarHBondContact O-OG 2.98Å; Q54-A58 PolarHBondContact O-N 3.42Å; Q54-A58 VanDerWaalsContact O-N 3.11Å
55	S	73.1	Confident	75.7	Confident	57 Å²	57	73.9 Å²	73.9	40%	0.399	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-42.4	174	52	0	0	0	0	112.9	D53 A58 F59	D53-S55 PolarHBondContact O-N 3.13Å; D53-S55 VanDerWaalsContact O-N 3.12Å; S55-A58 PolarHBondContact O-N 3.07Å; S55-F59 WeakPolarHBondContact O-CB 3.49Å; S55-F59 PolarHBondContact O-N 3.36Å
56	V	73.8	Confident	75.8	Confident	12 Å²	12	73.7 Å²	73.7	7%	0.073	40%	0.399	C	S	.	.	H	α-helix	trans	-68.7	-38.3	178.5	-177.8	0	0	0	0	110.6	I15 I50 D53 F59 A60	I15-V56 HydrophobicContact CG2-CG2 3.82Å; I50-V56 HydrophobicContact CG2-CG1 4.34Å; I50-V56 HydrophobicContact CG2-CG2 4.34Å; D53-V56 HydrophobicContact CB-CG2 4.49Å; D53-V56 PolarHBondContact O-N 3.13Å; V56-F59 PolarHBondContact O-N 2.91Å; V56-A60 WeakPolarHBondContact O-CB 3.43Å; V56-A60 PolarHBondContact O-N 3.4Å
57	S	75.4	Confident	76	Confident	35 Å²	35	66.8 Å²	66.8	25%	0.245	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-36.6	175.8	79.6	0	0	0	0	113	D53 Q54 K61	D53-S57 PolarHBondContact O-N 2.78Å; D53-S57 VanDerWaalsContact O-N 3.1Å; Q54-S57 PolarHBondContact O-N 2.93Å; Q54-S57 PolarHBondContact O-OG 2.98Å; S57-K61 WeakPolarHBondContact O-CG 3.4Å; S57-K61 PolarHBondContact O-N 3.26Å
58	A	81.6	Confident	75.9	Confident	49 Å²	49	69 Å²	69	41%	0.405	38%	0.383	S	S	.	.	H	α-helix	trans	-69.2	-42.7	174.7	0	0	0	0	0	111	Q54 S55 A60 K61 E62	Q54-A58 PolarHBondContact O-N 3.42Å; Q54-A58 VanDerWaalsContact O-N 3.11Å; S55-A58 PolarHBondContact O-N 3.07Å; A58-A60 PolarHBondContact O-N 3.45Å; A58-K61 PolarHBondContact O-N 3.07Å; A58-E62 PolarHBondContact O-N 3.32Å
59	F	83.6	Confident	76	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-60.9	-42.5	174.7	172.6	-109.2	0	0	0	112.7	W7 V8 R11 L12 I15 M27 S55 V56 K61 E62 L63	W7-F59 HydrophobicContact CH2-CD2 4.24Å; W7-F59 HydrophobicContact CH2-CE2 4.03Å; W7-F59 HydrophobicContact CZ3-CD2 4.48Å; W7-F59 AromaticContact CZ3-CE2 3.83Å; W7-F59 HydrophobicContact CZ3-CE2 3.83Å; V8-F59 HydrophobicContact CG1-CZ 4.22Å; R11-F59 HydrophobicContact CB-CD2 3.76Å; R11-F59 HydrophobicContact CB-CE2 3.41Å; R11-F59 VanDerWaalsContact CB-CE2 3.41Å; R11-F59 HydrophobicContact CB-CZ 4.31Å; R11-F59 HydrophobicContact CG-CD2 4.24Å; R11-F59 HydrophobicContact CG-CE2 4.08Å; L12-F59 HydrophobicContact CD2-CE1 3.88Å; L12-F59 HydrophobicContact CD2-CZ 4.27Å; L12-F59 HydrophobicContact CG-CE1 4.31Å; L12-F59 HydrophobicContact CG-CZ 4.19Å; I15-F59 HydrophobicContact CD1-CB 3.57Å; I15-F59 HydrophobicContact CD1-CD1 4.47Å; I15-F59 HydrophobicContact CD1-CD2 4.14Å; I15-F59 HydrophobicContact CD1-CG 3.8Å; M27-F59 HydrophobicContact CE-CE1 4.11Å; S55-F59 WeakPolarHBondContact O-CB 3.49Å; S55-F59 PolarHBondContact O-N 3.36Å; V56-F59 PolarHBondContact O-N 2.91Å; F59-K61 VanDerWaalsContact C-N 3.3Å; F59-K61 PolarHBondContact O-N 3.48Å; F59-E62 PolarHBondContact O-N 3.36Å; F59-L63 HydrophobicContact CE1-CD2 4.23Å; F59-L63 HydrophobicContact CZ-CD2 4.26Å; F59-L63 VanDerWaalsContact O-CB 3.26Å; F59-L63 WeakPolarHBondContact O-CB 3.25Å; F59-L63 PolarHBondContact O-N 2.89Å
60	A	80	Confident	75.3	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-38.4	176.9	0	0	0	0	0	112.2	L40 V41 L44 V56 A58 F64	L40-A60 HydrophobicContact CD2-CB 4.23Å; L40-A60 WeakPolarHBondContact CD2-O 3.3Å; L40-A60 HydrophobicContact CG-CB 4.37Å; V41-A60 HydrophobicContact CG2-CB 3.77Å; L44-A60 HydrophobicContact CD1-CB 4.3Å; V56-A60 WeakPolarHBondContact O-CB 3.43Å; V56-A60 PolarHBondContact O-N 3.4Å; A58-A60 PolarHBondContact O-N 3.45Å; A60-F64 WeakPolarHBondContact O-CB 3.24Å; A60-F64 PolarHBondContact O-N 3.09Å
61	K	82.6	Confident	74.3	Confident	108 Å²	108	82.4 Å²	82.4	47%	0.47	41%	0.414	S	S	.	.	H	α-helix	trans	-66.2	-48	174.6	-70.2	176.5	-178.7	-179.6	0	111.9	P37 S57 A58 F59 L63 F64 E65	P37-K61 HydrophobicContact CB-CG 4.01Å; S57-K61 WeakPolarHBondContact O-CG 3.4Å; S57-K61 PolarHBondContact O-N 3.26Å; A58-K61 PolarHBondContact O-N 3.07Å; F59-K61 VanDerWaalsContact C-N 3.3Å; F59-K61 PolarHBondContact O-N 3.48Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.43Å; K61-F64 PolarHBondContact O-N 3.32Å; K61-E65 PolarHBondContact O-N 3.46Å; K61-E65 VanDerWaalsContact O-N 3.16Å
62	E	84.3	Confident	73.3	Confident	77 Å²	77	81.7 Å²	81.7	36%	0.36	42%	0.415	S	S	.	.	H	α-helix	trans	-61.8	-40	176.9	-72.5	-173.2	-179.7	0	0	112.3	W7 R11 A58 F59 E65 K66	W7-E62 HydrophobicContact CH2-CB 3.91Å; W7-E62 HydrophobicContact CZ2-CB 4.46Å; R11-E62 IonicContact NH2-OE2 2.77Å; A58-E62 PolarHBondContact O-N 3.32Å; F59-E62 PolarHBondContact O-N 3.36Å; E62-E65 PolarHBondContact O-N 3.4Å; E62-K66 PolarHBondContact O-N 2.96Å; E62-K66 VanDerWaalsContact O-N 3.09Å
63	L	84.3	Confident	72.3	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-63.7	-42.4	177.2	178.5	57.9	0	0	0	111.3	W7 V8 M27 A31 F59 K61 E65 K66 I67	W7-L63 HydrophobicContact CZ3-CD1 4.28Å; V8-L63 HydrophobicContact CG2-CD1 3.48Å; V8-L63 VanDerWaalsContact CG2-CD1 3.48Å; M27-L63 HydrophobicContact CB-CD2 4.39Å; A31-L63 HydrophobicContact CB-CD2 4.06Å; A31-L63 HydrophobicContact CB-CG 4.11Å; F59-L63 HydrophobicContact CE1-CD2 4.23Å; F59-L63 HydrophobicContact CZ-CD2 4.26Å; F59-L63 VanDerWaalsContact O-CB 3.26Å; F59-L63 WeakPolarHBondContact O-CB 3.25Å; F59-L63 PolarHBondContact O-N 2.89Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.43Å; L63-E65 VanDerWaalsContact C-N 3.35Å; L63-E65 PolarHBondContact O-N 3.01Å; L63-K66 PolarHBondContact O-N 3.12Å; L63-I67 HydrophobicContact CD1-CD1 4.24Å; L63-I67 HydrophobicContact CD1-CG1 4.46Å; L63-I67 HydrophobicContact CG-CD1 4.23Å; L63-I67 WeakPolarHBondContact O-CD1 3.26Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.43Å
64	F	83.9	Confident	70.8	Confident	25 Å²	25	85.3 Å²	85.3	11%	0.11	44%	0.436	C	S	.	.	H	α-helix	trans	-63	-40	178.7	-170.9	-84	0	0	0	112.3	A34 S36 P37 L40 A60 K61 R69	A34-F64 HydrophobicContact CB-CD2 4.44Å; A34-F64 HydrophobicContact CB-CE2 4.11Å; S36-F64 VanDerWaalsContact O-CE2 3.31Å; S36-F64 WeakPolarHBondContact O-CE2 3.37Å; P37-F64 HydrophobicContact CB-CG 4.41Å; P37-F64 HydrophobicContact CG-CD1 3.76Å; P37-F64 HydrophobicContact CG-CE1 3.94Å; P37-F64 HydrophobicContact CG-CG 4.05Å; P37-F64 HydrophobicContact CG-CZ 4.34Å; L40-F64 HydrophobicContact CB-CD2 4.42Å; L40-F64 HydrophobicContact CD2-CB 4.2Å; L40-F64 HydrophobicContact CD2-CD2 4.22Å; A60-F64 WeakPolarHBondContact O-CB 3.24Å; A60-F64 PolarHBondContact O-N 3.09Å; K61-F64 PolarHBondContact O-N 3.32Å; F64-R69 VanDerWaalsContact CE2-CZ 3.45Å
65	E	82.9	Confident	69.7	Low	160 Å²	160	84.2 Å²	84.2	75%	0.748	43%	0.428	S	S	*	.	H	α-helix	trans	-71	-35.3	178	-71.7	-179.2	177	0	0	113.1	K61 E62 L63 I67	K61-E65 PolarHBondContact O-N 3.46Å; K61-E65 VanDerWaalsContact O-N 3.16Å; E62-E65 PolarHBondContact O-N 3.4Å; L63-E65 VanDerWaalsContact C-N 3.35Å; L63-E65 PolarHBondContact O-N 3.01Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.5Å
66	K	79.9	Confident	68.8	Low	111 Å²	111	86.3 Å²	86.3	48%	0.483	44%	0.44	S	S	.	.	H	α-helix	trans	-77.2	-13.1	-179.5	-79.3	179.9	178	-77.8	0	114.3	L4 W7 E62 L63 P68	L4-K66 HydrophobicContact CD1-CB 3.94Å; W7-K66 HydrophobicContact CD2-CD 3.94Å; W7-K66 HydrophobicContact CE3-CD 3.94Å; W7-K66 HydrophobicContact CH2-CD 3.75Å; W7-K66 HydrophobicContact CZ2-CD 3.72Å; W7-K66 HydrophobicContact CZ3-CD 3.85Å; E62-K66 PolarHBondContact O-N 2.96Å; E62-K66 VanDerWaalsContact O-N 3.09Å; L63-K66 PolarHBondContact O-N 3.12Å; K66-P68 WeakPolarHBondContact O-CD 3.21Å
67	I	81.3	Confident	68.1	Low	10 Å²	10	89.2 Å²	89.2	5%	0.051	46%	0.462	C	S	.	.	S	Bend	trans	-77.9	120.5	177.7	-72.3	163.8	0	0	0	109.5	L4 A31 R32 L63 E65 R69	L4-I67 HydrophobicContact CD2-CG1 4.04Å; A31-I67 HydrophobicContact CB-CD1 3.23Å; R32-I67 HydrophobicContact CG-CG2 4.03Å; L63-I67 HydrophobicContact CD1-CD1 4.24Å; L63-I67 HydrophobicContact CD1-CG1 4.46Å; L63-I67 HydrophobicContact CG-CD1 4.23Å; L63-I67 WeakPolarHBondContact O-CD1 3.26Å; L63-I67 VanDerWaalsContact O-CG1 3.31Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.43Å; E65-I67 VanDerWaalsContact C-N 3.32Å; E65-I67 PolarHBondContact O-N 3.5Å; I67-R69 PolarHBondContact O-N 3.47Å
68	P	69.5	Low	67.3	Low	102 Å²	102	94.1 Å²	94.1	66%	0.662	48%	0.478	S	S	*	.			trans	-66.1	107.4	174.2	26	-31.4	0	0	0	109	K66	K66-P68 WeakPolarHBondContact O-CD 3.21Å
69	R	65.7	Low	66.5	Low	115 Å²	115	93.6 Å²	93.6	43%	0.434	47%	0.474	S	S	.	.			trans	-84.4	120.8	172.4	-68.6	-179	176.3	-122.2	-28.2	108.4	A31 A34 S35 F64 I67 Q71	A31-R69 PolarHBondContact O-NH2 3.49Å; A34-R69 PolarHBondContact O-NH1 2.89Å; A34-R69 PolarHBondContact O-NH2 2.84Å; S35-R69 PolarHBondContact O-NH1 3.16Å; F64-R69 VanDerWaalsContact CE2-CZ 3.45Å; I67-R69 PolarHBondContact O-N 3.47Å; R69-Q71 PolarHBondContact O-N 2.98Å; R69-Q71 VanDerWaalsContact O-N 3.09Å
70	Q	49.8	Very low	65.7	Low	188 Å²	188	98.7 Å²	98.7	88%	0.879	50%	0.501	S	S	*	.			trans	-58.5	115.5	170.2	-147.2	168.7	6	0	0	106.6	V72	Q70-V72 PolarHBondContact O-N 3.07Å
71	Q	45.2	Very low	65.2	Low	178 Å²	178	104.4 Å²	104.4	83%	0.832	53%	0.528	S	S	*	.			trans	-55.7	116.9	170.9	-85.6	-177.4	-16.1	0	0	106.6	R69 V73	R69-Q71 PolarHBondContact O-N 2.98Å; R69-Q71 VanDerWaalsContact O-N 3.09Å; Q71-V73 VanDerWaalsContact C-N 3.25Å; Q71-V73 PolarHBondContact O-N 3.44Å
72	V	46.3	Very low	64.7	Low	136 Å²	136	107.5 Å²	107.5	82%	0.824	54%	0.536	S	S	*	.			trans	-64.4	97.9	170.1	179.3	0	0	0	0	105.1	Q70 E74	Q70-V72 PolarHBondContact O-N 3.07Å; V72-E74 PolarHBondContact O-N 3.28Å
73	V	46.5	Very low	64	Low	125 Å²	125	109.8 Å²	109.8	76%	0.758	55%	0.547	S	S	*	.			trans	-60.5	112.8	167.9	178.6	0	0	0	0	105.3	Q71 K75	Q71-V73 VanDerWaalsContact C-N 3.25Å; Q71-V73 PolarHBondContact O-N 3.44Å; V73-K75 PolarHBondContact O-N 2.98Å
74	E	42.3	Very low	63.3	Low	118 Å²	118	112.5 Å²	112.5	55%	0.551	57%	0.569	S	S	*	*			trans	-56.8	121.7	178.3	-141.3	175.1	-171.2	0	0	107.5	V72	V72-E74 PolarHBondContact O-N 3.28Å
75	K	52.5	Low	62.8	Low	154 Å²	154	116.2 Å²	116.2	67%	0.67	59%	0.589	S	S	*	*			trans	-56.5	131.8	178.8	-75.2	-174.5	177.3	-176	0	108.1	V73 S77 K78	V73-K75 PolarHBondContact O-N 2.98Å; K75-S77 PolarHBondContact O-N 3.39Å; K75-K78 PolarHBondContact O-N 3.45Å
76	P	54.2	Low	62.2	Low	101 Å²	101	113.4 Å²	113.4	66%	0.656	58%	0.576	S	S	*	*	H	α-helix	trans	-57.2	-23.3	-177.8	20.2	-31.3	0	0	0	112.9	A79 L80	P76-A79 PolarHBondContact O-N 3.42Å; P76-L80 WeakPolarHBondContact O-CB 3.2Å; P76-L80 PolarHBondContact O-N 3.39Å
77	S	57.5	Low	61.6	Low	74 Å²	74	113.9 Å²	113.9	52%	0.517	58%	0.582	S	S	.	*	H	α-helix	trans	-62.9	-40.1	173.5	57.2	0	0	0	0	113.9	K75 L80 E81	K75-S77 PolarHBondContact O-N 3.39Å; S77-L80 PolarHBondContact O-N 3.01Å; S77-E81 WeakPolarHBondContact O-CB 3.31Å; S77-E81 PolarHBondContact O-N 3.42Å
78	K	59.4	Low	60.9	Low	137 Å²	137	117 Å²	117	60%	0.596	60%	0.598	S	S	*	*	H	α-helix	trans	-74.2	-31.1	178	-79.9	-169.6	173.1	-174.5	0	112.3	K75 R82	K75-K78 PolarHBondContact O-N 3.45Å; K78-R82 WeakPolarHBondContact O-CB 3.46Å; K78-R82 PolarHBondContact O-N 2.97Å
79	A	64.6	Low	60.8	Low	38 Å²	38	121.3 Å²	121.3	31%	0.314	60%	0.601	S	S	.	*	H	α-helix	trans	-66.1	-41.6	171.7	0	0	0	0	0	111.1	P76 R82 Q83	P76-A79 PolarHBondContact O-N 3.42Å; A79-R82 PolarHBondContact O-N 3.05Å; A79-Q83 WeakPolarHBondContact O-CB 3.45Å; A79-Q83 WeakPolarHBondContact O-CG 3.32Å; A79-Q83 PolarHBondContact O-N 2.9Å
80	L	67	Low	60.9	Low	115 Å²	115	120.6 Å²	120.6	60%	0.602	60%	0.601	S	S	*	*	H	α-helix	trans	-65	-42.5	174.5	-108.7	140.1	0	0	0	112.5	P76 S77 R82 Q83 A84	P76-L80 WeakPolarHBondContact O-CB 3.2Å; P76-L80 PolarHBondContact O-N 3.39Å; S77-L80 PolarHBondContact O-N 3.01Å; L80-R82 VanDerWaalsContact C-N 3.32Å; L80-R82 PolarHBondContact O-N 3.24Å; L80-Q83 PolarHBondContact O-N 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.02Å
81	E	69.5	Low	61.6	Low	121 Å²	121	116.2 Å²	116.2	57%	0.565	58%	0.584	S	S	*	*	H	α-helix	trans	-64.1	-39	177.7	-164.6	177.3	-162.3	0	0	111.3	S77 A84 I85	S77-E81 WeakPolarHBondContact O-CB 3.31Å; S77-E81 PolarHBondContact O-N 3.42Å; E81-A84 PolarHBondContact O-N 3.37Å; E81-I85 HydrophobicContact CG-CD1 4.28Å; E81-I85 WeakPolarHBondContact O-CB 3.48Å; E81-I85 WeakPolarHBondContact O-CD1 3.35Å; E81-I85 WeakPolarHBondContact O-CG1 3.49Å; E81-I85 PolarHBondContact O-N 2.98Å
82	R	73	Confident	62.1	Low	172 Å²	172	117 Å²	117	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-67.9	-40.7	174.6	-139.8	176.5	-165	171	2	112.1	K78 A79 L80 A84 I85 E86	K78-R82 WeakPolarHBondContact O-CB 3.46Å; K78-R82 PolarHBondContact O-N 2.97Å; A79-R82 PolarHBondContact O-N 3.05Å; L80-R82 VanDerWaalsContact C-N 3.32Å; L80-R82 PolarHBondContact O-N 3.24Å; R82-A84 VanDerWaalsContact C-N 3.33Å; R82-I85 PolarHBondContact O-N 3.15Å; R82-E86 WeakPolarHBondContact O-CB 3.38Å; R82-E86 PolarHBondContact O-N 3.45Å
83	Q	68.1	Low	62.5	Low	126 Å²	126	115.6 Å²	115.6	59%	0.589	57%	0.571	S	S	*	*	H	α-helix	trans	-64.6	-37.3	173.6	-77	-179.5	0.9	0	0	111.9	A79 L80 E86 M87	A79-Q83 WeakPolarHBondContact O-CB 3.45Å; A79-Q83 WeakPolarHBondContact O-CG 3.32Å; A79-Q83 PolarHBondContact O-N 2.9Å; L80-Q83 PolarHBondContact O-N 3.27Å; Q83-E86 PolarHBondContact O-N 3.47Å; Q83-M87 WeakPolarHBondContact O-CB 3.32Å; Q83-M87 PolarHBondContact O-N 2.96Å
84	A	70.1	Confident	62.4	Low	56 Å²	56	118 Å²	118	46%	0.463	57%	0.568	S	S	.	*	H	α-helix	trans	-67.4	-42.8	175.6	0	0	0	0	0	111.6	L80 E81 R82 E86 M87 D88	L80-A84 WeakPolarHBondContact O-CB 3.29Å; L80-A84 PolarHBondContact O-N 3.02Å; E81-A84 PolarHBondContact O-N 3.37Å; R82-A84 VanDerWaalsContact C-N 3.33Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 2.84Å; A84-M87 PolarHBondContact O-N 2.95Å; A84-D88 WeakPolarHBondContact O-CB 3.46Å; A84-D88 PolarHBondContact O-N 3.46Å
85	I	74.1	Confident	62.2	Low	103 Å²	103	118.5 Å²	118.5	53%	0.528	58%	0.579	S	S	.	*	H	α-helix	trans	-65.1	-37.5	175	-68.3	163.3	0	0	0	111	E81 R82 R89	E81-I85 HydrophobicContact CG-CD1 4.28Å; E81-I85 WeakPolarHBondContact O-CB 3.48Å; E81-I85 WeakPolarHBondContact O-CD1 3.35Å; E81-I85 WeakPolarHBondContact O-CG1 3.49Å; E81-I85 PolarHBondContact O-N 2.98Å; R82-I85 PolarHBondContact O-N 3.15Å; I85-R89 WeakPolarHBondContact O-CB 3.23Å; I85-R89 PolarHBondContact O-N 3.4Å
86	E	70.8	Confident	61.5	Low	101 Å²	101	119.2 Å²	119.2	47%	0.472	59%	0.589	S	S	.	*	H	α-helix	trans	-71.7	-37	176.7	-159.1	-174.1	147.4	0	0	112.1	R82 Q83 A84 R89 K90	R82-E86 WeakPolarHBondContact O-CB 3.38Å; R82-E86 PolarHBondContact O-N 3.45Å; Q83-E86 PolarHBondContact O-N 3.47Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 2.84Å; E86-R89 PolarHBondContact O-N 3.03Å; E86-K90 WeakPolarHBondContact O-CG 3.35Å; E86-K90 PolarHBondContact O-N 3.44Å; E86-K90 WeakPolarHBondContact OE1-CE 3.38Å; E86-K90 IonicContact OE1-NZ 3.62Å; E86-K90 PolarHBondContact OE1-NZ 3.07Å
87	M	67.3	Low	60.4	Low	122 Å²	122	122.4 Å²	122.4	60%	0.601	60%	0.6	S	S	*	*	H	α-helix	trans	-65.6	-41.5	170.5	-93.2	-135.2	-74.3	0	0	112	Q83 A84 R89 K90 N91	Q83-M87 WeakPolarHBondContact O-CB 3.32Å; Q83-M87 PolarHBondContact O-N 2.96Å; A84-M87 PolarHBondContact O-N 2.95Å; M87-R89 VanDerWaalsContact C-N 3.3Å; M87-R89 PolarHBondContact O-N 3.33Å; M87-K90 CarbonylContact O-C 3.59Å; M87-K90 PolarHBondContact O-N 2.98Å; M87-K90 VanDerWaalsContact O-N 3.14Å; M87-N91 WeakPolarHBondContact O-CB 3.26Å; M87-N91 PolarHBondContact O-N 3.31Å
88	D	65.6	Low	59.2	Low	74 Å²	74	127.4 Å²	127.4	40%	0.396	62%	0.615	S	S	.	*	H	α-helix	trans	-65.7	-36.6	176.7	-162.3	50.8	0	0	0	111.1	A84 N91 R92	A84-D88 WeakPolarHBondContact O-CB 3.46Å; A84-D88 PolarHBondContact O-N 3.46Å; D88-N91 PolarHBondContact O-N 2.92Å; D88-R92 WeakPolarHBondContact O-CB 3.12Å; D88-R92 WeakPolarHBondContact O-CG 3.22Å; D88-R92 PolarHBondContact O-N 3.18Å; D88-R92 IonicContact OD2-CZ 3.26Å; D88-R92 VanDerWaalsContact OD2-CZ 3.31Å; D88-R92 IonicContact OD2-NE 3Å; D88-R92 PolarHBondContact OD2-NE 2.91Å; D88-R92 IonicContact OD2-NH2 2.68Å; D88-R92 PolarHBondContact OD2-NH2 2.82Å
89	R	66.7	Low	57.9	Low	193 Å²	193	128.9 Å²	128.9	73%	0.728	63%	0.629	S	S	*	*	H	α-helix	trans	-62.5	-41.9	170.1	-109.4	-178.6	173.5	-178.9	-1.1	112.7	I85 E86 M87 T93	I85-R89 WeakPolarHBondContact O-CB 3.23Å; I85-R89 PolarHBondContact O-N 3.4Å; E86-R89 PolarHBondContact O-N 3.03Å; M87-R89 VanDerWaalsContact C-N 3.3Å; M87-R89 PolarHBondContact O-N 3.33Å; R89-T93 PolarHBondContact O-N 3.27Å; R89-T93 PolarHBondContact O-OG1 3.15Å
90	K	69.3	Low	56.3	Low	100 Å²	100	132.1 Å²	132.1	44%	0.435	65%	0.65	S	S	.	*	H	α-helix	trans	-69.2	-40.7	177.3	-75.7	172.4	-173.8	163.4	0	111.4	E86 M87 R92 T93 Y94	E86-K90 WeakPolarHBondContact O-CG 3.35Å; E86-K90 PolarHBondContact O-N 3.44Å; E86-K90 WeakPolarHBondContact OE1-CE 3.38Å; E86-K90 IonicContact OE1-NZ 3.62Å; E86-K90 PolarHBondContact OE1-NZ 3.07Å; M87-K90 CarbonylContact O-C 3.59Å; M87-K90 PolarHBondContact O-N 2.98Å; M87-K90 VanDerWaalsContact O-N 3.14Å; K90-R92 VanDerWaalsContact C-N 3.32Å; K90-R92 PolarHBondContact O-N 3.38Å; K90-T93 WeakPolarHBondContact CA-OG1 3.42Å; K90-T93 PolarHBondContact O-N 2.79Å; K90-T93 PolarHBondContact O-OG1 2.75Å; K90-Y94 HydrophobicContact CB-CE2 4.41Å; K90-Y94 WeakPolarHBondContact O-CD2 3.43Å; K90-Y94 PolarHBondContact O-N 2.69Å
91	N	63	Low	54.7	Low	97 Å²	97	134.5 Å²	134.5	52%	0.519	66%	0.663	S	S	.	*	H	α-helix	trans	-65.2	-35.5	177.1	-72.1	-10.4	0	0	0	111.8	M87 D88 T93 Y94	M87-N91 WeakPolarHBondContact O-CB 3.26Å; M87-N91 PolarHBondContact O-N 3.31Å; D88-N91 PolarHBondContact O-N 2.92Å; N91-T93 PolarHBondContact O-N 3.07Å; N91-Y94 PolarHBondContact O-N 3.2Å
92	R	56.8	Low	52.9	Low	194 Å²	194	134.3 Å²	134.3	73%	0.732	68%	0.675	S	S	*	*	H	α-helix	trans	-66.4	-22.5	172	-72.5	173.1	-166.7	-151	4.8	113.9	D88 K90	D88-R92 WeakPolarHBondContact O-CB 3.12Å; D88-R92 WeakPolarHBondContact O-CG 3.22Å; D88-R92 PolarHBondContact O-N 3.18Å; D88-R92 IonicContact OD2-CZ 3.26Å; D88-R92 VanDerWaalsContact OD2-CZ 3.31Å; D88-R92 IonicContact OD2-NE 3Å; D88-R92 PolarHBondContact OD2-NE 2.91Å; D88-R92 IonicContact OD2-NH2 2.68Å; D88-R92 PolarHBondContact OD2-NH2 2.82Å; K90-R92 VanDerWaalsContact C-N 3.32Å; K90-R92 PolarHBondContact O-N 3.38Å
93	T	54.1	Low	50.9	Low	106 Å²	106	129.7 Å²	129.7	65%	0.65	68%	0.681	S	S	*	*	H	α-helix	trans	-85.4	-11.4	173.6	35.7	0	0	0	0	114.1	R89 K90 N91	R89-T93 PolarHBondContact O-N 3.27Å; R89-T93 PolarHBondContact O-OG1 3.15Å; K90-T93 WeakPolarHBondContact CA-OG1 3.42Å; K90-T93 PolarHBondContact O-N 2.79Å; K90-T93 PolarHBondContact O-OG1 2.75Å; N91-T93 PolarHBondContact O-N 3.07Å
94	Y	44	Very low	49.1	Very low	176 Å²	176	133.1 Å²	133.1	69%	0.69	70%	0.697	S	S	*	*			trans	-98.1	90	175.9	-68.1	-69.8	0	0	0	110.3	K90 N91 L96	K90-Y94 HydrophobicContact CB-CE2 4.41Å; K90-Y94 WeakPolarHBondContact O-CD2 3.43Å; K90-Y94 PolarHBondContact O-N 2.69Å; N91-Y94 PolarHBondContact O-N 3.2Å; Y94-L96 PolarHBondContact O-N 3.14Å
95	T	38.1	Very low	47.2	Very low	129 Å²	129	139.1 Å²	139.1	79%	0.791	72%	0.716	S	S	*	*			trans	-70.1	120	161.4	35.8	0	0	0	0	109.3	L97	T95-L97 PolarHBondContact O-N 3.42Å
96	L	37.7	Very low	45.1	Very low	169 Å²	169	141 Å²	141	89%	0.885	73%	0.731	S	S	*	*			trans	-56	124.6	169.1	-93.3	121.3	0	0	0	110.1	Y94 E98	Y94-L96 PolarHBondContact O-N 3.14Å; L96-E98 PolarHBondContact O-N 3.48Å
97	L	31.1	Very low	43.1	Very low	168 Å²	168	140.4 Å²	140.4	88%	0.88	74%	0.744	S	S	*	*			trans	-71.1	111.1	166.1	-83.1	141	0	0	0	108.2	T95	T95-L97 PolarHBondContact O-N 3.42Å
98	E	32.9	Very low	41.3	Very low	179 Å²	179	139.2 Å²	139.2	84%	0.836	75%	0.753	S	S	*	*			trans	-86.2	121.5	160.8	-76.3	-176.4	164.1	0	0	108.6	L96 S100	L96-E98 PolarHBondContact O-N 3.48Å; E98-S100 PolarHBondContact O-N 2.96Å
99	D	31.9	Very low	39.5	Very low	167 Å²	167	141.8 Å²	141.8	89%	0.893	77%	0.767	S	S	*	*			trans	-65.7	112.8	167.2	-78.4	-32.1	0	0	0	109.7
100	S	30.4	Very low	37.7	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	77%	0.767	S	S	*	*			trans	-151.4	110.7	147.6	39.8	0	0	0	0	111.4	E98	E98-S100 PolarHBondContact O-N 2.96Å
101	D	35.3	Very low	35.8	Very low	165 Å²	165	144.3 Å²	144.3	88%	0.882	79%	0.786	S	S	*	*			trans	-71	115.2	168.2	-139.8	-1	0	0	0	109
102	S	31.2	Very low	34.1	Very low	116 Å²	116	151.5 Å²	151.5	81%	0.811	81%	0.806	S	S	*	*			trans	163.9	118.7	142.9	44.8	0	0	0	0	110.5
103	G	31.5	Very low	32.6	Very low	75 Å²	75	145.7 Å²	145.7	77%	0.773	81%	0.807	S	S	*	*			trans	-79.1	156.9	-178.7	0	0	0	0	0	114.3
104	E	29.3	Very low	31.3	Very low	198 Å²	198	149.9 Å²	149.9	93%	0.925	82%	0.816	S	S	*	*				-175.5	142.1	117.9	-102	179.2	175.7	0	0	109.8
105	E	30.2	Very low	30.4	Very low	183 Å²	183	150 Å²	150	86%	0.855	82%	0.821	S	S	*	*			trans	-69.4	151.3	178.3	-62.7	-179.3	144.1	0	0	112.4
106	V	29.9	Very low	29.9	Very low	141 Å²	141	152.8 Å²	152.8	86%	0.855	82%	0.821	S	S	*	*				164.1	142.2	116.6	165.8	0	0	0	0	110.2
107	A	28.5	Very low	29.4	Very low	89 Å²	89	152.6 Å²	152.6	74%	0.736	81%	0.813	S	S	*	*			trans	-66.1	166.1	-171.3	0	0	0	0	0	117.7
108	A	28.9	Very low	29.2	Very low	97 Å²	97	150.6 Å²	150.6	80%	0.802	80%	0.804	S	S	*	*			trans	111.7	114.6	134.8	0	0	0	0	0	119.3
109	D	28.8	Very low	29	Very low	128 Å²	128	152.1 Å²	152.1	68%	0.684	81%	0.807	S	S	*	*			trans	77.8	122.5	130.2	-124.1	8.5	0	0	0	122
110	K	28.7	Very low	28.9	Very low	166 Å²	166	151 Å²	151	72%	0.722	80%	0.802	S	S	*	*			trans	39.5	118.1	134.5	-82.4	174.9	-161.9	149.2	0	120.2
111	Q	28.9	Very low	28.9	Very low	181 Å²	181	155.1 Å²	155.1	85%	0.846	81%	0.806	S	S	*	*				160.9	138.5	99.7	-103.8	176.6	16.1	0	0	113.7
112	R	26.9	Very low	28.4	Very low	247 Å²	247	150.8 Å²	150.8	93%	0.932	80%	0.801	S	S	*	*			trans	3.8	132.6	146.7	-70.8	174.4	160.5	179.5	-5.2	119.3
113	G	25.7	Very low	28.2	Very low	73 Å²	73	150.6 Å²	150.6	75%	0.753	80%	0.799	S	S	*	*				138.4	116.2	122.5	0	0	0	0	0	119.6
114	K	27.5	Very low	28.1	Very low	193 Å²	193	156.8 Å²	156.8	84%	0.839	81%	0.805	S	S	*	*			trans	68.2	126.8	137.5	-84.4	178.5	176.8	167.6	0	122.5
115	K	25.7	Very low	28.1	Very low	180 Å²	180	158.2 Å²	158.2	78%	0.783	80%	0.802	S	S	*	*			trans	81.9	109.6	130.5	-80.1	-175.4	174.7	-177.2	0	120.9
116	K	27.4	Very low	28.1	Very low	186 Å²	186	158.4 Å²	158.4	81%	0.809	80%	0.8	S	S	*	*				58.4	127.6	117.6	-109.3	-176.1	178.7	174.1	0	121.1
117	K	26.2	Very low	28	Very low	165 Å²	165	158 Å²	158	72%	0.717	79%	0.793	S	S	*	*			trans	98.9	127	131.5	-98.3	-168.7	168.6	-163	0	120.9
118	D	28.1	Very low	28.1	Very low	126 Å²	126	161.2 Å²	161.2	67%	0.674	80%	0.796	S	S	*	*			trans	48.2	116.7	140.8	-60.1	-27.8	0	0	0	119.7
119	K	28.7	Very low	28	Very low	211 Å²	211	168 Å²	168	92%	0.917	80%	0.801	S	S	*	*				173.1	151.1	101.7	-105.1	176.3	178.1	173	0	114.4
120	D	28.6	Very low	28.2	Very low	145 Å²	145	171 Å²	171	78%	0.775	81%	0.811	S	S	*	*			trans	-67.9	165.8	175.2	-167.2	15.3	0	0	0	115.2
121	K	29.9	Very low	28.1	Very low	192 Å²	192	172.8 Å²	172.8	84%	0.835	82%	0.819	S	S	*	*			trans	94.9	110.6	167.3	-62.5	-176.7	175.9	179	0	120.5
122	G	25.7	Very low	28	Very low	75 Å²	75	174.1 Å²	174.1	77%	0.773	82%	0.822	S	S	*	*				111.5	107.1	101.7	0	0	0	0	0	120.1
123	S	27.4	Very low	28	Very low	112 Å²	112	167.5 Å²	167.5	78%	0.783	82%	0.82	S	S	*	*			trans	63.3	119.8	134.1	-171.5	0	0	0	0	121
124	K	28.3	Very low	28.1	Very low	204 Å²	204	169.7 Å²	169.7	89%	0.887	82%	0.823	S	S	*	*				-179.3	140.3	106.7	-97.7	171.6	-174.2	172.7	0	115
125	R	29.6	Very low	28.1	Very low	228 Å²	228	169.5 Å²	169.5	86%	0.86	83%	0.826	S	S	*	*			trans	-52.4	157	169.7	-72.1	164.7	146.1	167.6	-7.8	116.2
126	K	31.1	Very low	28.2	Very low	187 Å²	187	166.3 Å²	166.3	81%	0.813	83%	0.826	S	S	*	*				-177	112.8	116.1	-97.7	172.6	-177.9	-177.1	0	109.7
127	N	28.4	Very low	28.1	Very low	132 Å²	132	162.9 Å²	162.9	71%	0.706	83%	0.825	S	S	*	*				82.6	119	96.6	-74.5	3.6	0	0	0	114.5
128	I	29.4	Very low	28.1	Very low	157 Å²	157	159.9 Å²	159.9	81%	0.805	83%	0.825	S	S	*	*				174.1	128.9	111.8	-92.9	165.1	0	0	0	113.9
129	R	27.9	Very low	28.1	Very low	239 Å²	239	161 Å²	161	90%	0.902	83%	0.831	S	S	*	*			trans	68.3	112.6	151.3	-85.7	175.8	159.5	166.8	-5.5	124
130	Q	31.1	Very low	28.1	Very low	192 Å²	192	158 Å²	158	90%	0.897	83%	0.825	S	S	*	*			trans	-83.6	149.5	147.7	-76.9	177.1	-27.8	0	0	112.8
131	K	26.6	Very low	28.1	Very low	203 Å²	203	160.4 Å²	160.4	88%	0.883	83%	0.832	S	S	*	*			trans	-160.5	99.9	145.1	-132.5	-178.1	179.8	-172.7	0	108
132	K	27.6	Very low	28.1	Very low	209 Å²	209	160.4 Å²	160.4	91%	0.909	83%	0.832	S	S	*	*				54	115.1	104.3	-93.4	-167.2	177.8	-173.2	0	116.4
133	A	26.6	Very low	28.2	Very low	109 Å²	109	165.4 Å²	165.4	90%	0.901	84%	0.84	S	S	*	*			trans	-156.2	145.5	134.8	0	0	0	0	0	109.9
134	S	27.4	Very low	28.4	Very low	118 Å²	118	169.3 Å²	169.3	83%	0.825	84%	0.843	S	S	*	*			trans	-111.4	159.8	-163.2	45.4	0	0	0	0	112.7
135	E	29.1	Very low	28.4	Very low	190 Å²	190	171.8 Å²	171.8	89%	0.888	85%	0.846	S	S	*	*			trans	-68	142.4	168	-66.7	173.2	144.6	0	0	113.2
136	S	26	Very low	28.4	Very low	113 Å²	113	164.9 Å²	164.9	79%	0.79	85%	0.846	S	S	*	*				157	131.6	116.6	74.8	0	0	0	0	114.7
137	S	25.5	Very low	28.3	Very low	113 Å²	113	159.7 Å²	159.7	79%	0.79	85%	0.846	S	S	*	*			trans	70.7	130.7	134.5	-168.4	0	0	0	0	124.8
138	S	26.6	Very low	28.4	Very low	102 Å²	102	159 Å²	159	71%	0.713	85%	0.852	S	S	*	*			trans	76.4	120.1	145.7	80.6	0	0	0	0	124.6
139	D	28.1	Very low	28.7	Very low	151 Å²	151	157.8 Å²	157.8	81%	0.807	85%	0.851	S	S	*	*			trans	61.1	132.1	133.4	-73.9	-15.2	0	0	0	125.4
140	D	28.9	Very low	29.2	Very low	148 Å²	148	154.6 Å²	154.6	79%	0.791	85%	0.851	S	S	*	*			trans	59.6	111.3	149.8	-80.1	-25.3	0	0	0	121.7
141	E	28.8	Very low	29.5	Very low	195 Å²	195	153.8 Å²	153.8	91%	0.911	85%	0.847	S	S	*	*				-176.8	150.9	97.6	-101.3	-150.6	153.4	0	0	113.3
142	K	30.4	Very low	30	Very low	192 Å²	192	150.1 Å²	150.1	84%	0.835	84%	0.837	S	S	*	*			trans	-67	148.2	178.8	-71.4	163.6	175.4	161.9	0	112.8
143	L	27.6	Very low	30.5	Very low	180 Å²	180	147.5 Å²	147.5	94%	0.942	83%	0.828	S	S	*	*				-167	135.8	125.6	-100.7	154.7	0	0	0	112.4
144	K	31.7	Very low	31.1	Very low	194 Å²	194	152.7 Å²	152.7	84%	0.843	82%	0.824	S	S	*	*			trans	-78.8	148.8	-174.5	-70	172.7	170.4	178.1	0	113.3
145	R	28.4	Very low	31.4	Very low	255 Å²	255	149.2 Å²	149.2	96%	0.962	80%	0.8	S	S	*	*			trans	159.4	125.5	135.6	-91	166.8	173.9	-169.9	-1.4	106.5
146	G	28.6	Very low	32.1	Very low	83 Å²	83	143.2 Å²	143.2	86%	0.856	78%	0.776	S	S	*	*			cis	141.2	107.6	14.3	0	0	0	0	0	106.9
147	G	30.2	Very low	32.8	Very low	78 Å²	78	144 Å²	144	80%	0.804	77%	0.765	S	S	*	*			trans	106.9	94.8	159.7	0	0	0	0	0	117.9
148	S	30.5	Very low	33.5	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	75%	0.754	S	S	*	*				162.8	79.9	125.1	68.7	0	0	0	0	110
149	V	35.9	Very low	34	Very low	130 Å²	130	145.7 Å²	145.7	79%	0.788	75%	0.747	S	S	*	*			trans	-104.5	99.1	171.2	178	0	0	0	0	105.9
150	L	38.5	Very low	34.8	Very low	172 Å²	172	143.9 Å²	143.9	90%	0.901	73%	0.734	S	S	*	*	S	Bend	trans	-164.2	-4.1	162.9	-102.4	163.4	0	0	0	114.3
151	E	36.1	Very low	35.6	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	72%	0.723	S	S	*	*	S	Bend	trans	-106.9	-16.5	176.6	-82.1	-177	151.8	0	0	115.8
152	D	38.3	Very low	36.5	Very low	125 Å²	125	138.8 Å²	138.8	67%	0.668	71%	0.705	S	S	*	*	H	α-helix	trans	-83	-14.8	-174.1	-93.1	-23.4	0	0	0	116	R154 S155 V156	D152-R154 VanDerWaalsContact C-N 3.28Å; D152-R154 PolarHBondContact O-N 3.45Å; D152-S155 PolarHBondContact O-OG 3.13Å; D152-S155 VanDerWaalsContact O-OG 3.12Å; D152-V156 WeakPolarHBondContact O-CG2 3.4Å; D152-V156 PolarHBondContact O-N 3.32Å
153	H	38.3	Very low	37.7	Very low	154 Å²	154	136.1 Å²	136.1	71%	0.713	70%	0.696	S	S	*	*	H	α-helix	trans	-80.3	-8	-179.4	-88.2	-52.8	0	0	0	114.3
154	R	37.6	Very low	39.1	Very low	219 Å²	219	133.8 Å²	133.8	83%	0.826	68%	0.68	S	S	*	*	H	α-helix	trans	-101.2	-24.4	-179.4	-140.1	178.4	-172.8	-177	1.2	112.8	D152	D152-R154 VanDerWaalsContact C-N 3.28Å; D152-R154 PolarHBondContact O-N 3.45Å
155	S	34.7	Very low	40.2	Very low	45 Å²	45	132.2 Å²	132.2	32%	0.315	67%	0.669	S	S	.	*	H	α-helix	trans	-78.3	-47.4	172.3	42.8	0	0	0	0	111.1	D152 K157 K158 E159	D152-S155 PolarHBondContact O-OG 3.13Å; D152-S155 VanDerWaalsContact O-OG 3.12Å; S155-K157 PolarHBondContact O-N 3.39Å; S155-K158 WeakPolarHBondContact O-CB 3.46Å; S155-K158 PolarHBondContact O-N 2.98Å; S155-E159 PolarHBondContact O-N 2.94Å
156	V	42.8	Very low	41.9	Very low	63 Å²	63	125.2 Å²	125.2	38%	0.382	65%	0.647	S	S	.	*	H	α-helix	trans	-64	-38.7	-179.8	178.4	0	0	0	0	112.2	D152 K158 E159 E160	D152-V156 WeakPolarHBondContact O-CG2 3.4Å; D152-V156 PolarHBondContact O-N 3.32Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 2.86Å; V156-E159 PolarHBondContact O-N 3.03Å; V156-E160 HydrophobicContact CG1-CG 4.47Å; V156-E160 WeakPolarHBondContact O-CB 3.47Å; V156-E160 VanDerWaalsContact O-CG 3.28Å; V156-E160 WeakPolarHBondContact O-CG 3.31Å; V156-E160 PolarHBondContact O-N 3.08Å
157	K	41.3	Very low	43.8	Very low	131 Å²	131	127.1 Å²	127.1	57%	0.57	63%	0.632	S	S	*	*	H	α-helix	trans	-65.7	-32.8	172.8	-92.9	-170.7	170.5	-166.7	0	113.5	S155 E161	S155-K157 PolarHBondContact O-N 3.39Å; K157-E161 VanDerWaalsContact O-CB 3.24Å; K157-E161 WeakPolarHBondContact O-CB 3.16Å; K157-E161 WeakPolarHBondContact O-CG 3.38Å; K157-E161 PolarHBondContact O-N 2.63Å
158	K	39.3	Very low	45.3	Very low	128 Å²	128	127.6 Å²	127.6	56%	0.557	61%	0.613	S	S	*	*	H	α-helix	trans	-74.7	-39.1	178.5	-113.2	-172.2	168.2	-157.2	0	111.5	S155 V156 E161 E162	S155-K158 WeakPolarHBondContact O-CB 3.46Å; S155-K158 PolarHBondContact O-N 2.98Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 2.86Å; K158-E161 PolarHBondContact O-N 2.79Å; K158-E162 VanDerWaalsContact O-CB 3.3Å; K158-E162 WeakPolarHBondContact O-CB 3.43Å; K158-E162 VanDerWaalsContact O-CG 3.29Å; K158-E162 WeakPolarHBondContact O-CG 3.3Å; K158-E162 PolarHBondContact O-N 2.91Å
159	E	38.7	Very low	47.2	Very low	121 Å²	121	124.9 Å²	124.9	57%	0.565	59%	0.587	S	S	*	*	H	α-helix	trans	-68.6	-39.4	174.6	-71.6	176.5	173.4	0	0	111	S155 V156 E162 E163	S155-E159 PolarHBondContact O-N 2.94Å; V156-E159 PolarHBondContact O-N 3.03Å; E159-E162 PolarHBondContact O-N 2.95Å; E159-E163 WeakPolarHBondContact O-CB 3.45Å; E159-E163 WeakPolarHBondContact O-CG 3.23Å; E159-E163 PolarHBondContact O-N 3.45Å
160	E	44.6	Very low	48.8	Very low	114 Å²	114	125.8 Å²	125.8	53%	0.533	58%	0.577	S	S	.	*	H	α-helix	trans	-64.3	-41.2	171.4	-74.5	175	173.6	0	0	112.1	V156 E164	V156-E160 HydrophobicContact CG1-CG 4.47Å; V156-E160 WeakPolarHBondContact O-CB 3.47Å; V156-E160 VanDerWaalsContact O-CG 3.28Å; V156-E160 WeakPolarHBondContact O-CG 3.31Å; V156-E160 PolarHBondContact O-N 3.08Å; E160-E164 WeakPolarHBondContact O-CB 3.22Å; E160-E164 WeakPolarHBondContact O-CG 3.48Å; E160-E164 PolarHBondContact O-N 2.89Å
161	E	46	Very low	50.3	Low	120 Å²	120	122.9 Å²	122.9	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-68.3	-36.5	175.5	-77.1	168.6	-169.1	0	0	112.4	K157 K158 W165	K157-E161 VanDerWaalsContact O-CB 3.24Å; K157-E161 WeakPolarHBondContact O-CB 3.16Å; K157-E161 WeakPolarHBondContact O-CG 3.38Å; K157-E161 PolarHBondContact O-N 2.63Å; K158-E161 PolarHBondContact O-N 2.79Å; E161-W165 VanDerWaalsContact O-CB 3.29Å; E161-W165 WeakPolarHBondContact O-CB 3.38Å; E161-W165 PolarHBondContact O-N 3.43Å
162	E	47.8	Very low	51.9	Low	115 Å²	115	118.2 Å²	118.2	54%	0.537	53%	0.533	S	S	.	.	H	α-helix	trans	-71	-39.9	175	-78.7	176	-173.4	0	0	111.5	K158 E159 W165 E166	K158-E162 VanDerWaalsContact O-CB 3.3Å; K158-E162 WeakPolarHBondContact O-CB 3.43Å; K158-E162 VanDerWaalsContact O-CG 3.29Å; K158-E162 WeakPolarHBondContact O-CG 3.3Å; K158-E162 PolarHBondContact O-N 2.91Å; E159-E162 PolarHBondContact O-N 2.95Å; E162-W165 PolarHBondContact O-N 3.23Å; E162-E166 WeakPolarHBondContact O-CB 3.29Å; E162-E166 WeakPolarHBondContact O-CG 3.37Å; E162-E166 PolarHBondContact O-N 2.94Å
163	E	54.8	Low	53.5	Low	137 Å²	137	116.9 Å²	116.9	64%	0.64	53%	0.526	S	S	*	.	H	α-helix	trans	-67.6	-38.4	173.9	-77.9	-172.4	172.1	0	0	112.6	E159 K167	E159-E163 WeakPolarHBondContact O-CB 3.45Å; E159-E163 WeakPolarHBondContact O-CG 3.23Å; E159-E163 PolarHBondContact O-N 3.45Å; E163-K167 VanDerWaalsContact O-CB 3.25Å; E163-K167 WeakPolarHBondContact O-CB 3.41Å; E163-K167 PolarHBondContact O-N 3.48Å
164	E	56.3	Low	55.1	Low	131 Å²	131	114.5 Å²	114.5	61%	0.612	52%	0.518	S	S	*	.	H	α-helix	trans	-64.4	-43.2	172.3	-81	-168.5	159.5	0	0	111.2	E160 K167 E168	E160-E164 WeakPolarHBondContact O-CB 3.22Å; E160-E164 WeakPolarHBondContact O-CG 3.48Å; E160-E164 PolarHBondContact O-N 2.89Å; E164-K167 WeakPolarHBondContact O-CB 3.44Å; E164-K167 PolarHBondContact O-N 3.38Å; E164-E168 WeakPolarHBondContact O-CG 3.29Å; E164-E168 PolarHBondContact O-N 3Å
165	W	55.3	Low	56.7	Low	160 Å²	160	106.1 Å²	106.1	61%	0.606	49%	0.49	S	S	*	.	H	α-helix	trans	-64.9	-43.6	177.5	-174.3	78.8	0	0	0	112.7	E161 E162 K167 E168 E169	E161-W165 VanDerWaalsContact O-CB 3.29Å; E161-W165 WeakPolarHBondContact O-CB 3.38Å; E161-W165 PolarHBondContact O-N 3.43Å; E162-W165 PolarHBondContact O-N 3.23Å; W165-K167 PolarHBondContact O-N 3.43Å; W165-E168 PolarHBondContact O-N 3.49Å; W165-E169 WeakPolarHBondContact O-CB 3.44Å; W165-E169 PolarHBondContact O-N 3.07Å
166	E	65.1	Low	58.5	Low	108 Å²	108	106.7 Å²	106.7	51%	0.505	49%	0.488	S	S	.	.	H	α-helix	trans	-65.5	-27.5	174.5	-77.3	-169.4	171.9	0	0	113	E162 R170	E162-E166 WeakPolarHBondContact O-CB 3.29Å; E162-E166 WeakPolarHBondContact O-CG 3.37Å; E162-E166 PolarHBondContact O-N 2.94Å; E166-R170 WeakPolarHBondContact O-CB 3.38Å; E166-R170 WeakPolarHBondContact O-CG 3.44Å; E166-R170 PolarHBondContact O-N 3.02Å; E166-R170 PolarHBondContact O-NE 3.07Å; E166-R170 IonicContact OE2-NH2 3.7Å
167	K	67.9	Low	59.9	Low	124 Å²	124	110.1 Å²	110.1	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-75.9	-43.6	174.2	-172.4	-177.9	174.6	-168	0	110.9	E163 E164 W165 R170 E171	E163-K167 VanDerWaalsContact O-CB 3.25Å; E163-K167 WeakPolarHBondContact O-CB 3.41Å; E163-K167 PolarHBondContact O-N 3.48Å; E164-K167 WeakPolarHBondContact O-CB 3.44Å; E164-K167 PolarHBondContact O-N 3.38Å; W165-K167 PolarHBondContact O-N 3.43Å; K167-R170 PolarHBondContact O-N 2.91Å; K167-E171 WeakPolarHBondContact O-CB 3.25Å; K167-E171 WeakPolarHBondContact O-CG 3.41Å; K167-E171 PolarHBondContact O-N 3.37Å
168	E	61.9	Low	61.4	Low	87 Å²	87	108 Å²	108	41%	0.407	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-42.8	175.4	-75.3	-173.6	159	0	0	112	E164 W165 R170 E171 R172 H815	E164-E168 WeakPolarHBondContact O-CG 3.29Å; E164-E168 PolarHBondContact O-N 3Å; W165-E168 PolarHBondContact O-N 3.49Å; E168-R170 PolarHBondContact O-N 3.4Å; E168-E171 PolarHBondContact O-N 3.18Å; E168-R172 WeakPolarHBondContact O-CB 3.37Å; E168-R172 PolarHBondContact O-N 3.3Å; E168-H815 IonicContact OE1-CE1 3.32Å; E168-H815 IonicContact OE2-CE1 4Å; E168-H815 PolarHBondContact OE2-CE1 3.37Å; E168-H815 IonicContact OE2-NE2 3.87Å
169	E	69.4	Low	62.8	Low	62 Å²	62	107.5 Å²	107.5	29%	0.29	49%	0.487	S	S	.	.	H	α-helix	trans	-69.9	-34	178.9	-166.1	65.4	-173.8	0	0	111.6	W165 R172 L173	W165-E169 WeakPolarHBondContact O-CB 3.44Å; W165-E169 PolarHBondContact O-N 3.07Å; E169-R172 PolarHBondContact O-N 3.17Å; E169-R172 IonicContact OE1-NH1 3.18Å; E169-R172 PolarHBondContact OE1-NH1 2.9Å; E169-R172 WeakPolarHBondContact OE2-CD 3.28Å; E169-R172 IonicContact OE2-NH1 2.95Å; E169-R172 PolarHBondContact OE2-NH1 3.47Å; E169-L173 WeakPolarHBondContact O-CG 3.4Å; E169-L173 PolarHBondContact O-N 3.05Å
170	R	70.5	Confident	64.3	Low	150 Å²	150	105.2 Å²	105.2	57%	0.566	48%	0.479	S	S	*	.	H	α-helix	trans	-66	-44.2	169.9	-84.9	-176.3	-77.5	-172.9	-9.5	112.3	E166 K167 E168 R172 L173 L174	E166-R170 WeakPolarHBondContact O-CB 3.38Å; E166-R170 WeakPolarHBondContact O-CG 3.44Å; E166-R170 PolarHBondContact O-N 3.02Å; E166-R170 PolarHBondContact O-NE 3.07Å; E166-R170 IonicContact OE2-NH2 3.7Å; K167-R170 PolarHBondContact O-N 2.91Å; E168-R170 PolarHBondContact O-N 3.4Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.29Å; R170-L173 PolarHBondContact O-N 2.98Å; R170-L174 WeakPolarHBondContact O-CB 3.38Å; R170-L174 VanDerWaalsContact O-CG 3.28Å; R170-L174 WeakPolarHBondContact O-CG 3.47Å; R170-L174 PolarHBondContact O-N 3.09Å
171	E	68.7	Low	65.8	Low	111 Å²	111	101.5 Å²	101.5	52%	0.519	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-37.9	175.2	-77.6	-179.3	-172.7	0	0	111.2	K167 E168 L174 D175	K167-E171 WeakPolarHBondContact O-CB 3.25Å; K167-E171 WeakPolarHBondContact O-CG 3.41Å; K167-E171 PolarHBondContact O-N 3.37Å; E168-E171 PolarHBondContact O-N 3.18Å; E171-L174 PolarHBondContact O-N 3Å; E171-D175 WeakPolarHBondContact O-CB 3.46Å; E171-D175 PolarHBondContact O-N 3.05Å
172	R	69.6	Low	67.1	Low	77 Å²	77	96.8 Å²	96.8	29%	0.291	45%	0.445	S	S	.	.	H	α-helix	trans	-65.4	-47	175.2	-173.6	-179.8	-179.9	-140.7	1.3	112.7	E168 E169 R170 L174 D175 I176 E818	E168-R172 WeakPolarHBondContact O-CB 3.37Å; E168-R172 PolarHBondContact O-N 3.3Å; E169-R172 PolarHBondContact O-N 3.17Å; E169-R172 IonicContact OE1-NH1 3.18Å; E169-R172 PolarHBondContact OE1-NH1 2.9Å; E169-R172 WeakPolarHBondContact OE2-CD 3.28Å; E169-R172 IonicContact OE2-NH1 2.95Å; E169-R172 PolarHBondContact OE2-NH1 3.47Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.29Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 2.97Å; R172-D175 WeakPolarHBondContact O-CB 3.47Å; R172-D175 PolarHBondContact O-N 3.4Å; R172-I176 HydrophobicContact CG-CD1 4.23Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.47Å; R172-I176 PolarHBondContact O-N 3.4Å; R172-E818 IonicContact CZ-OE1 2.84Å; R172-E818 IonicContact CZ-OE2 3.47Å; R172-E818 IonicContact NE-OE1 3.5Å; R172-E818 IonicContact NE-OE2 3.32Å; R172-E818 PolarHBondContact NE-OE2 3.18Å; R172-E818 IonicContact NH2-OE1 3.97Å; R172-E818 PolarHBondContact NH2-OE1 3.07Å; R172-E818 IonicContact NH2-OE2 3.89Å
173	L	72.5	Confident	68.2	Low	97 Å²	97	93.3 Å²	93.3	51%	0.508	44%	0.436	S	S	.	.	H	α-helix	trans	-61.9	-41.4	176.4	-75.1	170.9	0	0	0	111.8	E169 R170 D175 I176 E177	E169-L173 WeakPolarHBondContact O-CG 3.4Å; E169-L173 PolarHBondContact O-N 3.05Å; R170-L173 PolarHBondContact O-N 2.98Å; L173-D175 VanDerWaalsContact C-N 3.35Å; L173-I176 PolarHBondContact O-N 2.94Å; L173-E177 PolarHBondContact O-N 3.21Å
174	L	72.2	Confident	69	Low	104 Å²	104	93.2 Å²	93.2	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-62.4	-41	173.1	-72.6	167.9	0	0	0	111.8	R170 E171 R172 I176 E177 E178	R170-L174 WeakPolarHBondContact O-CB 3.38Å; R170-L174 VanDerWaalsContact O-CG 3.28Å; R170-L174 WeakPolarHBondContact O-CG 3.47Å; R170-L174 PolarHBondContact O-N 3.09Å; E171-L174 PolarHBondContact O-N 3Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 2.97Å; L174-I176 VanDerWaalsContact C-N 3.32Å; L174-I176 PolarHBondContact O-N 2.98Å; L174-E177 PolarHBondContact O-N 3.29Å; L174-E178 WeakPolarHBondContact O-CB 3.22Å; L174-E178 WeakPolarHBondContact O-CG 3.31Å; L174-E178 PolarHBondContact O-N 2.85Å
175	D	72.2	Confident	70	Confident	44 Å²	44	91.6 Å²	91.6	24%	0.235	42%	0.424	C	S	.	.	H	α-helix	trans	-63.4	-38.7	177.1	-165.3	64.2	0	0	0	111.3	E171 R172 L173 R179 K821 R824	E171-D175 WeakPolarHBondContact O-CB 3.46Å; E171-D175 PolarHBondContact O-N 3.05Å; R172-D175 WeakPolarHBondContact O-CB 3.47Å; R172-D175 PolarHBondContact O-N 3.4Å; L173-D175 VanDerWaalsContact C-N 3.35Å; D175-R179 WeakPolarHBondContact O-CB 3.3Å; D175-R179 PolarHBondContact O-N 3.43Å; D175-K821 PolarHBondContact OD1-N 3.19Å; D175-R824 PolarHBondContact O-NH2 3.08Å; D175-R824 IonicContact OD1-CZ 3.93Å; D175-R824 IonicContact OD1-NH2 3.67Å; D175-R824 PolarHBondContact OD1-NH2 3.18Å; D175-R824 IonicContact OD2-CZ 3.03Å; D175-R824 IonicContact OD2-NH2 3.81Å; D175-R824 PolarHBondContact OD2-NH2 2.99Å
176	I	72	Confident	70.6	Confident	57 Å²	57	84.4 Å²	84.4	29%	0.292	40%	0.397	S	S	.	.	H	α-helix	trans	-68	-45.1	175.2	-66	164.7	0	0	0	111.5	R172 L173 L174 E178 R179 D180	R172-I176 HydrophobicContact CG-CD1 4.23Å; R172-I176 VanDerWaalsContact O-CG1 3.31Å; R172-I176 WeakPolarHBondContact O-CG1 3.47Å; R172-I176 PolarHBondContact O-N 3.4Å; L173-I176 PolarHBondContact O-N 2.94Å; L174-I176 VanDerWaalsContact C-N 3.32Å; L174-I176 PolarHBondContact O-N 2.98Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.98Å; I176-R179 VanDerWaalsContact O-CB 3.23Å; I176-R179 WeakPolarHBondContact O-CB 3.23Å; I176-R179 PolarHBondContact O-N 3.28Å; I176-R179 VanDerWaalsContact O-N 3.13Å; I176-D180 PolarHBondContact O-N 2.72Å
177	E	72.6	Confident	70.8	Confident	135 Å²	135	86.2 Å²	86.2	63%	0.631	40%	0.4	S	S	*	.	H	α-helix	trans	-62.2	-42.8	175.7	-75	-175.4	174	0	0	111.3	L173 L174 R179 D180 A181	L173-E177 PolarHBondContact O-N 3.21Å; L174-E177 PolarHBondContact O-N 3.29Å; E177-R179 VanDerWaalsContact C-N 3.27Å; E177-R179 PolarHBondContact O-N 3.49Å; E177-D180 PolarHBondContact O-N 3.24Å; E177-A181 WeakPolarHBondContact O-CB 3.41Å; E177-A181 PolarHBondContact O-N 3.12Å
178	E	72.6	Confident	70.8	Confident	87 Å²	87	85.7 Å²	85.7	41%	0.407	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-30.9	174	-77.8	-161.1	154.2	0	0	112.5	L174 I176 F182 K821	L174-E178 WeakPolarHBondContact O-CB 3.22Å; L174-E178 WeakPolarHBondContact O-CG 3.31Å; L174-E178 PolarHBondContact O-N 2.85Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.98Å; E178-F182 WeakPolarHBondContact O-CB 3.34Å; E178-F182 PolarHBondContact O-N 3.42Å; E178-K821 VanDerWaalsContact CD-NZ 3.34Å; E178-K821 IonicContact OE1-NZ 2.97Å; E178-K821 PolarHBondContact OE1-NZ 3.41Å; E178-K821 WeakPolarHBondContact OE2-CD 3.23Å; E178-K821 VanDerWaalsContact OE2-CE 3.29Å; E178-K821 WeakPolarHBondContact OE2-CE 3.44Å; E178-K821 IonicContact OE2-NZ 3.97Å; E178-K821 PolarHBondContact OE2-NZ 2.88Å
179	R	67.4	Low	71.1	Confident	117 Å²	117	84.7 Å²	84.7	44%	0.442	39%	0.393	S	S	.	.	H	α-helix	trans	-61.5	-52.1	173.2	-176.1	-166.1	71.3	-179.8	-1.4	111.6	D175 I176 E177 A181 F182 A183	D175-R179 WeakPolarHBondContact O-CB 3.3Å; D175-R179 PolarHBondContact O-N 3.43Å; I176-R179 VanDerWaalsContact O-CB 3.23Å; I176-R179 WeakPolarHBondContact O-CB 3.23Å; I176-R179 PolarHBondContact O-N 3.28Å; I176-R179 VanDerWaalsContact O-N 3.13Å; E177-R179 VanDerWaalsContact C-N 3.27Å; E177-R179 PolarHBondContact O-N 3.49Å; R179-A181 VanDerWaalsContact C-N 3.26Å; R179-A181 PolarHBondContact O-N 2.87Å; R179-F182 PolarHBondContact O-N 2.99Å; R179-A183 WeakPolarHBondContact O-CB 3.31Å; R179-A183 PolarHBondContact O-N 3.03Å
180	D	71.5	Confident	70.8	Confident	73 Å²	73	83.9 Å²	83.9	39%	0.39	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-36.8	-177.2	-66	-3.2	0	0	0	109.7	I176 E177 Q184	I176-D180 PolarHBondContact O-N 2.72Å; E177-D180 PolarHBondContact O-N 3.24Å; D180-Q184 WeakPolarHBondContact O-CB 3.34Å; D180-Q184 VanDerWaalsContact O-CG 3.22Å; D180-Q184 WeakPolarHBondContact O-CG 3.49Å; D180-Q184 PolarHBondContact O-N 3.05Å
181	A	75.8	Confident	70.3	Confident	36 Å²	36	83.6 Å²	83.6	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-65.8	-43	173.1	0	0	0	0	0	113.2	E177 R179 Q184 R185	E177-A181 WeakPolarHBondContact O-CB 3.41Å; E177-A181 PolarHBondContact O-N 3.12Å; R179-A181 VanDerWaalsContact C-N 3.26Å; R179-A181 PolarHBondContact O-N 2.87Å; A181-Q184 PolarHBondContact O-N 3.26Å; A181-R185 WeakPolarHBondContact O-CG 3.33Å; A181-R185 PolarHBondContact O-N 2.93Å; A181-R185 PolarHBondContact O-NH1 3.48Å
182	F	73	Confident	69.7	Low	21 Å²	21	82.9 Å²	82.9	9%	0.092	39%	0.391	C	S	.	.	H	α-helix	trans	-65.8	-46.4	177.8	179	-102.2	0	0	0	111.3	E178 R179 Q184 R185 V186	E178-F182 WeakPolarHBondContact O-CB 3.34Å; E178-F182 PolarHBondContact O-N 3.42Å; R179-F182 PolarHBondContact O-N 2.99Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 PolarHBondContact O-N 3.35Å; F182-R185 PolarHBondContact O-N 2.92Å; F182-R185 VanDerWaalsContact O-N 3.12Å; F182-V186 HydrophobicContact CD1-CG2 4.1Å; F182-V186 HydrophobicContact CD2-CG2 4.37Å; F182-V186 HydrophobicContact CE1-CG2 3.7Å; F182-V186 HydrophobicContact CE2-CG2 3.99Å; F182-V186 HydrophobicContact CG-CG2 4.43Å; F182-V186 HydrophobicContact CZ-CG2 3.64Å; F182-V186 WeakPolarHBondContact O-CG2 3.11Å; F182-V186 PolarHBondContact O-N 3Å
183	A	71.3	Confident	69	Low	41 Å²	41	84.9 Å²	84.9	34%	0.339	40%	0.402	S	S	.	.	H	α-helix	trans	-59.5	-39.1	176.9	0	0	0	0	0	111.9	R179 R187	R179-A183 WeakPolarHBondContact O-CB 3.31Å; R179-A183 PolarHBondContact O-N 3.03Å; A183-R187 WeakPolarHBondContact O-CB 3.4Å; A183-R187 VanDerWaalsContact O-CG 3.29Å; A183-R187 WeakPolarHBondContact O-CG 3.45Å; A183-R187 PolarHBondContact O-N 3.33Å
184	Q	70.8	Confident	67.8	Low	135 Å²	135	84.5 Å²	84.5	63%	0.631	40%	0.403	S	S	*	.	H	α-helix	trans	-65	-44.1	173.8	-74.8	176.2	16.2	0	0	112.5	D180 A181 F182 R187 Q188	D180-Q184 WeakPolarHBondContact O-CB 3.34Å; D180-Q184 VanDerWaalsContact O-CG 3.22Å; D180-Q184 WeakPolarHBondContact O-CG 3.49Å; D180-Q184 PolarHBondContact O-N 3.05Å; A181-Q184 PolarHBondContact O-N 3.26Å; F182-Q184 VanDerWaalsContact C-N 3.28Å; F182-Q184 PolarHBondContact O-N 3.35Å; Q184-R187 PolarHBondContact O-N 3.39Å; Q184-Q188 WeakPolarHBondContact O-CB 3.4Å; Q184-Q188 PolarHBondContact O-N 2.98Å
185	R	77.3	Confident	66.1	Low	97 Å²	97	89.3 Å²	89.3	37%	0.366	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-43.8	176.8	-73.2	-166	-57.6	-80	7.7	112.2	A181 F182 Q188 K189 E937	A181-R185 WeakPolarHBondContact O-CG 3.33Å; A181-R185 PolarHBondContact O-N 2.93Å; A181-R185 PolarHBondContact O-NH1 3.48Å; F182-R185 PolarHBondContact O-N 2.92Å; F182-R185 VanDerWaalsContact O-N 3.12Å; R185-Q188 PolarHBondContact O-N 3.23Å; R185-K189 WeakPolarHBondContact O-CG 3.47Å; R185-K189 PolarHBondContact O-N 2.96Å; R185-E937 IonicContact NE-OE1 3.87Å; R185-E937 IonicContact NE-OE2 2.82Å
186	V	69.4	Low	64.2	Low	9 Å²	9	92.7 Å²	92.7	6%	0.055	43%	0.432	C	S	.	.	H	α-helix	trans	-61.5	-50.6	176.8	171.9	0	0	0	0	110.5	F182 Q188 K189 D190 R935	F182-V186 HydrophobicContact CD1-CG2 4.1Å; F182-V186 HydrophobicContact CD2-CG2 4.37Å; F182-V186 HydrophobicContact CE1-CG2 3.7Å; F182-V186 HydrophobicContact CE2-CG2 3.99Å; F182-V186 HydrophobicContact CG-CG2 4.43Å; F182-V186 HydrophobicContact CZ-CG2 3.64Å; F182-V186 WeakPolarHBondContact O-CG2 3.11Å; F182-V186 PolarHBondContact O-N 3Å; V186-Q188 VanDerWaalsContact C-N 3.26Å; V186-Q188 PolarHBondContact O-N 3.39Å; V186-K189 PolarHBondContact O-N 2.73Å; V186-D190 PolarHBondContact O-N 3.36Å; V186-R935 HydrophobicContact CG1-CG 4.5Å; V186-R935 VanDerWaalsContact CG1-CZ 3.45Å
187	R	69.3	Low	62.6	Low	146 Å²	146	97.3 Å²	97.3	55%	0.551	46%	0.456	S	S	*	.	H	α-helix	trans	-58.3	-36.7	176.2	-77.5	176.1	172.7	-178.5	-1.5	112.8	A183 Q184 K191	A183-R187 WeakPolarHBondContact O-CB 3.4Å; A183-R187 VanDerWaalsContact O-CG 3.29Å; A183-R187 WeakPolarHBondContact O-CG 3.45Å; A183-R187 PolarHBondContact O-N 3.33Å; Q184-R187 PolarHBondContact O-N 3.39Å; R187-K191 WeakPolarHBondContact O-CB 3.49Å; R187-K191 VanDerWaalsContact O-CG 3.29Å; R187-K191 WeakPolarHBondContact O-CG 3.38Å; R187-K191 PolarHBondContact O-N 3.3Å; R187-K191 VanDerWaalsContact O-N 3.1Å
188	Q	66.8	Low	60.9	Low	114 Å²	114	94.4 Å²	94.4	53%	0.533	46%	0.455	S	S	.	.	H	α-helix	trans	-69.4	-46.2	177.6	-173.8	175.2	-9.4	0	0	111.5	Q184 R185 V186 D190 K191 E192	Q184-Q188 WeakPolarHBondContact O-CB 3.4Å; Q184-Q188 PolarHBondContact O-N 2.98Å; R185-Q188 PolarHBondContact O-N 3.23Å; V186-Q188 VanDerWaalsContact C-N 3.26Å; V186-Q188 PolarHBondContact O-N 3.39Å; Q188-D190 VanDerWaalsContact C-N 3.3Å; Q188-D190 PolarHBondContact O-N 3.22Å; Q188-K191 PolarHBondContact O-N 3.11Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.47Å; Q188-E192 PolarHBondContact NE2-OE1 2.88Å; Q188-E192 WeakPolarHBondContact O-CB 3.31Å; Q188-E192 WeakPolarHBondContact O-CG 3.35Å; Q188-E192 PolarHBondContact O-N 3.49Å
189	K	68.1	Low	59.3	Low	65 Å²	65	98.1 Å²	98.1	28%	0.283	47%	0.472	S	S	.	.	H	α-helix	trans	-59.8	-40.2	174.7	-74.9	-177.4	-175.4	171.5	0	111.9	R185 V186 E192 K193 E937	R185-K189 WeakPolarHBondContact O-CG 3.47Å; R185-K189 PolarHBondContact O-N 2.96Å; V186-K189 PolarHBondContact O-N 2.73Å; K189-E192 PolarHBondContact O-N 3.21Å; K189-K193 PolarHBondContact O-N 3.11Å; K189-E937 IonicContact NZ-OE1 3.28Å; K189-E937 PolarHBondContact NZ-OE1 3.23Å
190	D	62.7	Low	58.2	Low	45 Å²	45	103.6 Å²	103.6	24%	0.241	49%	0.493	C	S	.	.	H	α-helix	trans	-64.1	-43.3	177.6	-65.7	-19.4	0	0	0	111.5	V186 Q188 K193 T194 R935	V186-D190 PolarHBondContact O-N 3.36Å; Q188-D190 VanDerWaalsContact C-N 3.3Å; Q188-D190 PolarHBondContact O-N 3.22Å; D190-K193 PolarHBondContact O-N 2.81Å; D190-T194 PolarHBondContact O-N 2.74Å; D190-T194 PolarHBondContact O-OG1 2.96Å; D190-R935 IonicContact OD1-CZ 3.36Å; D190-R935 IonicContact OD1-NE 3.78Å; D190-R935 PolarHBondContact OD1-NE 3.03Å; D190-R935 IonicContact OD1-NH2 3.55Å; D190-R935 PolarHBondContact OD1-NH2 3.31Å; D190-R935 IonicContact OD2-CZ 2.73Å; D190-R935 IonicContact OD2-NE 3.2Å; D190-R935 IonicContact OD2-NH2 3.6Å; D190-R935 PolarHBondContact OD2-NH2 3.17Å
191	K	60.3	Low	56.9	Low	144 Å²	144	106 Å²	106	63%	0.626	51%	0.51	S	S	*	.	H	α-helix	trans	-64.2	-36.8	174.5	-76	176.4	-178.5	-178.5	0	113	R187 Q188 T194 R195	R187-K191 WeakPolarHBondContact O-CB 3.49Å; R187-K191 VanDerWaalsContact O-CG 3.29Å; R187-K191 WeakPolarHBondContact O-CG 3.38Å; R187-K191 PolarHBondContact O-N 3.3Å; R187-K191 VanDerWaalsContact O-N 3.1Å; Q188-K191 PolarHBondContact O-N 3.11Å; K191-T194 WeakPolarHBondContact CA-OG1 3.37Å; K191-T194 PolarHBondContact O-OG1 3.37Å; K191-R195 PolarHBondContact O-N 3.43Å; K191-R195 VanDerWaalsContact O-N 3.13Å
192	E	56.6	Low	55.8	Low	97 Å²	97	109.2 Å²	109.2	45%	0.453	52%	0.522	S	S	.	.	H	α-helix	trans	-72	-38.2	177.7	-74	172.2	-171.1	0	0	111.8	Q188 K189 N196	Q188-E192 WeakPolarHBondContact CG-OE1 3.47Å; Q188-E192 PolarHBondContact NE2-OE1 2.88Å; Q188-E192 WeakPolarHBondContact O-CB 3.31Å; Q188-E192 WeakPolarHBondContact O-CG 3.35Å; Q188-E192 PolarHBondContact O-N 3.49Å; K189-E192 PolarHBondContact O-N 3.21Å; E192-N196 WeakPolarHBondContact O-CB 3.41Å; E192-N196 VanDerWaalsContact O-CG 3.27Å; E192-N196 PolarHBondContact O-N 2.91Å; E192-N196 PolarHBondContact O-ND2 3.31Å
193	K	55.2	Low	55	Low	119 Å²	119	117.1 Å²	117.1	52%	0.517	56%	0.557	S	S	.	*	H	α-helix	trans	-70.5	-39.5	174.1	-78.1	-171.7	176.4	-174.5	0	112.1	K189 D190 N196 E934	K189-K193 PolarHBondContact O-N 3.11Å; D190-K193 PolarHBondContact O-N 2.81Å; K193-N196 PolarHBondContact O-N 3.02Å; K193-E934 IonicContact NZ-OE2 2.84Å; K193-E934 PolarHBondContact NZ-OE2 3.18Å
194	T	46.6	Very low	54.3	Low	88 Å²	88	123.4 Å²	123.4	54%	0.54	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-36.1	175.6	26.8	0	0	0	0	112.9	D190 K191 N196	D190-T194 PolarHBondContact O-N 2.74Å; D190-T194 PolarHBondContact O-OG1 2.96Å; K191-T194 WeakPolarHBondContact CA-OG1 3.37Å; K191-T194 PolarHBondContact O-OG1 3.37Å; T194-N196 VanDerWaalsContact C-N 3.31Å; T194-N196 PolarHBondContact O-N 3.26Å
195	R	36.5	Very low	53.3	Low	205 Å²	205	119.5 Å²	119.5	77%	0.774	57%	0.567	S	S	*	*	H	α-helix	trans	-72.3	-18	176.7	-79	-179.3	81.5	179.1	4.9	114.7	K191	K191-R195 PolarHBondContact O-N 3.43Å; K191-R195 VanDerWaalsContact O-N 3.13Å
196	N	33	Very low	52.2	Low	116 Å²	116	122.1 Å²	122.1	62%	0.62	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	4.6	-163.6	-84.1	-29.4	0	0	0	116.6	E192 K193 T194	E192-N196 WeakPolarHBondContact O-CB 3.41Å; E192-N196 VanDerWaalsContact O-CG 3.27Å; E192-N196 PolarHBondContact O-N 2.91Å; E192-N196 PolarHBondContact O-ND2 3.31Å; K193-N196 PolarHBondContact O-N 3.02Å; T194-N196 VanDerWaalsContact C-N 3.31Å; T194-N196 PolarHBondContact O-N 3.26Å
197	I	37.6	Very low	51.7	Low	154 Å²	154	127.7 Å²	127.7	79%	0.79	60%	0.604	S	S	*	*	S	Bend	trans	-82.5	-17.5	176.2	-63.9	172.5	0	0	0	112.1
198	A	37.1	Very low	51.3	Low	73 Å²	73	125.7 Å²	125.7	60%	0.603	60%	0.601	S	S	*	*	S	Bend	trans	-101.8	-12.8	-171	0	0	0	0	0	116.8
199	E	39.4	Very low	50.6	Low	165 Å²	165	122.4 Å²	122.4	77%	0.771	59%	0.593	S	S	*	*	S	Bend	trans	-108.9	-9.6	-166.2	-75.9	-164.7	165.8	0	0	117.1
200	R	43.1	Very low	50.4	Low	232 Å²	232	123.8 Å²	123.8	88%	0.875	60%	0.601	S	S	*	*	S	Bend	trans	-143.8	81.1	-179.7	-73.3	-172.2	172.3	-179.5	-1.8	114
201	T	45.8	Very low	50.8	Low	124 Å²	124	128.6 Å²	128.6	76%	0.761	62%	0.619	S	S	*	*	S	Bend	trans	176	9.4	136.1	28.2	0	0	0	0	115	K203	T201-K203 PolarHBondContact O-N 3.04Å
202	D	52.8	Low	50.9	Low	103 Å²	103	129.6 Å²	129.6	55%	0.551	62%	0.619	S	S	*	*	H	α-helix	trans	-82	-16.2	-169	-73.6	-23.2	0	0	0	117.5	K204 Y206	D202-K204 PolarHBondContact O-N 3.36Å; D202-Y206 WeakPolarHBondContact O-CA 3.41Å; D202-Y206 WeakPolarHBondContact O-CB 3.36Å; D202-Y206 PolarHBondContact O-N 3.5Å
203	K	55.9	Low	51.2	Low	187 Å²	187	130.1 Å²	130.1	81%	0.813	62%	0.624	S	S	*	*	H	α-helix	trans	-65	-39.6	-176.2	-82.4	-174.7	177.5	179.4	0	114	T201 E207	T201-K203 PolarHBondContact O-N 3.04Å; K203-E207 WeakPolarHBondContact O-CB 3.48Å; K203-E207 WeakPolarHBondContact O-CG 3.38Å; K203-E207 PolarHBondContact O-N 2.69Å
204	K	55.9	Low	51.8	Low	174 Å²	174	130.8 Å²	130.8	76%	0.757	63%	0.627	S	S	*	*	H	α-helix	trans	-77.9	-41.4	178.1	-94.4	-176	173.4	-178.4	0	112.3	D202 Y206 E207 E208	D202-K204 PolarHBondContact O-N 3.36Å; K204-Y206 VanDerWaalsContact C-N 3.34Å; K204-E207 PolarHBondContact O-N 3.43Å; K204-E208 WeakPolarHBondContact O-CB 3.14Å; K204-E208 PolarHBondContact O-N 3.25Å
205	A	49.7	Very low	52.6	Low	53 Å²	53	132.3 Å²	132.3	44%	0.438	63%	0.63	S	S	.	*	H	α-helix	trans	-67.4	-37.1	177.6	0	0	0	0	0	111.5	A209	A205-A209 WeakPolarHBondContact O-CB 3.43Å; A205-A209 PolarHBondContact O-N 2.88Å
206	Y	54.8	Low	53.8	Low	152 Å²	152	125 Å²	125	60%	0.596	61%	0.614	S	S	*	*	H	α-helix	trans	-70.9	-42	175	-162.1	-91.5	0	0	0	111.6	D202 K204 E208 A209 Q210	D202-Y206 WeakPolarHBondContact O-CA 3.41Å; D202-Y206 WeakPolarHBondContact O-CB 3.36Å; D202-Y206 PolarHBondContact O-N 3.5Å; K204-Y206 VanDerWaalsContact C-N 3.34Å; Y206-E208 VanDerWaalsContact C-N 3.34Å; Y206-E208 PolarHBondContact O-N 2.93Å; Y206-A209 PolarHBondContact O-N 2.88Å; Y206-Q210 WeakPolarHBondContact O-CB 3.39Å; Y206-Q210 PolarHBondContact O-N 2.94Å
207	E	59.2	Low	55.2	Low	126 Å²	126	124.5 Å²	124.5	59%	0.589	61%	0.607	S	S	*	*	H	α-helix	trans	-63.4	-38.3	173.3	-84.7	-178.5	162.9	0	0	112.7	K203 K204 K211	K203-E207 WeakPolarHBondContact O-CB 3.48Å; K203-E207 WeakPolarHBondContact O-CG 3.38Å; K203-E207 PolarHBondContact O-N 2.69Å; K204-E207 PolarHBondContact O-N 3.43Å; E207-K211 WeakPolarHBondContact O-CB 3.45Å; E207-K211 PolarHBondContact O-N 3.42Å
208	E	59.3	Low	56.6	Low	104 Å²	104	121.3 Å²	121.3	49%	0.486	59%	0.592	S	S	.	*	H	α-helix	trans	-72.9	-41.5	177.3	-163.7	-179.9	165.6	0	0	111.7	K204 Y206 K211 R212	K204-E208 WeakPolarHBondContact O-CB 3.14Å; K204-E208 PolarHBondContact O-N 3.25Å; Y206-E208 VanDerWaalsContact C-N 3.34Å; Y206-E208 PolarHBondContact O-N 2.93Å; E208-K211 PolarHBondContact O-N 2.81Å; E208-R212 WeakPolarHBondContact O-CB 3.23Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.06Å; E208-R212 IonicContact OE1-CZ 3.45Å; E208-R212 IonicContact OE1-NE 3.75Å; E208-R212 IonicContact OE1-NH2 3.84Å; E208-R212 PolarHBondContact OE1-NH2 3.4Å
209	A	52.8	Low	57.9	Low	45 Å²	45	122.6 Å²	122.6	37%	0.372	59%	0.589	S	S	.	*	H	α-helix	trans	-65.3	-37.8	173.5	0	0	0	0	0	111.9	A205 Y206 R212 L213	A205-A209 WeakPolarHBondContact O-CB 3.43Å; A205-A209 PolarHBondContact O-N 2.88Å; Y206-A209 PolarHBondContact O-N 2.88Å; A209-R212 PolarHBondContact O-N 3.37Å; A209-L213 VanDerWaalsContact O-CB 3.27Å; A209-L213 WeakPolarHBondContact O-CB 3.36Å; A209-L213 WeakPolarHBondContact O-CD1 3.2Å; A209-L213 WeakPolarHBondContact O-CG 3.48Å; A209-L213 PolarHBondContact O-N 2.87Å
210	Q	64.4	Low	58.7	Low	94 Å²	94	120.8 Å²	120.8	44%	0.439	58%	0.58	S	S	.	*	H	α-helix	trans	-72.5	-31.4	177.4	-158.7	175.7	24.1	0	0	111.6	Y206 K214	Y206-Q210 WeakPolarHBondContact O-CB 3.39Å; Y206-Q210 PolarHBondContact O-N 2.94Å; Q210-K214 WeakPolarHBondContact O-CB 3.28Å; Q210-K214 PolarHBondContact O-N 3.25Å
211	K	70	Confident	59.8	Low	146 Å²	146	115.9 Å²	115.9	64%	0.635	57%	0.565	S	S	*	*	H	α-helix	trans	-68.8	-42.2	167.6	-89.1	-178.6	175.5	176.7	0	112.5	E207 E208 K214 M215	E207-K211 WeakPolarHBondContact O-CB 3.45Å; E207-K211 PolarHBondContact O-N 3.42Å; E208-K211 PolarHBondContact O-N 2.81Å; K211-K214 PolarHBondContact O-N 3.47Å; K211-M215 WeakPolarHBondContact O-CG 3.29Å; K211-M215 PolarHBondContact O-N 3.38Å
212	R	63.6	Low	61	Low	164 Å²	164	115.6 Å²	115.6	62%	0.619	56%	0.559	S	S	*	*	H	α-helix	trans	-66.7	-37.4	175.5	-72.7	-178.9	-170	-171	4.5	111.7	E208 A209 M215 A216	E208-R212 WeakPolarHBondContact O-CB 3.23Å; E208-R212 WeakPolarHBondContact O-CG 3.41Å; E208-R212 PolarHBondContact O-N 3.06Å; E208-R212 IonicContact OE1-CZ 3.45Å; E208-R212 IonicContact OE1-NE 3.75Å; E208-R212 IonicContact OE1-NH2 3.84Å; E208-R212 PolarHBondContact OE1-NH2 3.4Å; A209-R212 PolarHBondContact O-N 3.37Å; R212-M215 PolarHBondContact O-N 3.13Å; R212-A216 WeakPolarHBondContact O-CB 3.27Å; R212-A216 PolarHBondContact O-N 2.93Å
213	L	61.4	Low	61.3	Low	108 Å²	108	115.3 Å²	115.3	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-65.9	-41.9	173	-82.7	159.7	0	0	0	111.7	A209 A216 E217	A209-L213 VanDerWaalsContact O-CB 3.27Å; A209-L213 WeakPolarHBondContact O-CB 3.36Å; A209-L213 WeakPolarHBondContact O-CD1 3.2Å; A209-L213 WeakPolarHBondContact O-CG 3.48Å; A209-L213 PolarHBondContact O-N 2.87Å; L213-A216 PolarHBondContact O-N 3.46Å; L213-E217 WeakPolarHBondContact O-CB 3.36Å; L213-E217 WeakPolarHBondContact O-CG 3.37Å; L213-E217 PolarHBondContact O-N 2.89Å
214	K	69.1	Low	61.6	Low	134 Å²	134	109.9 Å²	109.9	58%	0.583	54%	0.535	S	S	*	.	H	α-helix	trans	-65.2	-43.6	173.6	-88	-176.6	173.4	-179.8	0	113	Q210 K211 A216 E217 D218	Q210-K214 WeakPolarHBondContact O-CB 3.28Å; Q210-K214 PolarHBondContact O-N 3.25Å; K211-K214 PolarHBondContact O-N 3.47Å; K214-A216 VanDerWaalsContact C-N 3.34Å; K214-E217 PolarHBondContact O-N 2.99Å; K214-D218 WeakPolarHBondContact O-CB 3.4Å; K214-D218 PolarHBondContact O-N 3.5Å
215	M	62.2	Low	62.4	Low	120 Å²	120	104.9 Å²	104.9	59%	0.591	52%	0.52	S	S	*	.	H	α-helix	trans	-64.5	-41	175.5	-75	-161.3	-87.5	0	0	111.2	K211 R212 D218 D219	K211-M215 WeakPolarHBondContact O-CG 3.29Å; K211-M215 PolarHBondContact O-N 3.38Å; R212-M215 PolarHBondContact O-N 3.13Å; M215-D218 PolarHBondContact O-N 3.01Å; M215-D219 WeakPolarHBondContact O-CB 2.96Å; M215-D219 PolarHBondContact O-N 2.89Å
216	A	61.9	Low	63.4	Low	52 Å²	52	107.7 Å²	107.7	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-41.2	173.8	0	0	0	0	0	112.1	R212 L213 K214 Q220	R212-A216 WeakPolarHBondContact O-CB 3.27Å; R212-A216 PolarHBondContact O-N 2.93Å; L213-A216 PolarHBondContact O-N 3.46Å; K214-A216 VanDerWaalsContact C-N 3.34Å; A216-Q220 WeakPolarHBondContact O-CB 3.2Å; A216-Q220 PolarHBondContact O-N 3.31Å
217	E	63.5	Low	63.9	Low	104 Å²	104	104.9 Å²	104.9	49%	0.486	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-38.3	176.4	-82.7	-175.3	166	0	0	112.7	L213 K214 K221	L213-E217 WeakPolarHBondContact O-CB 3.36Å; L213-E217 WeakPolarHBondContact O-CG 3.37Å; L213-E217 PolarHBondContact O-N 2.89Å; K214-E217 PolarHBondContact O-N 2.99Å; E217-K221 WeakPolarHBondContact O-CB 3.5Å; E217-K221 VanDerWaalsContact O-CG 3.3Å; E217-K221 WeakPolarHBondContact O-CG 3.49Å; E217-K221 PolarHBondContact O-N 3.06Å
218	D	66.5	Low	64.5	Low	87 Å²	87	107.4 Å²	107.4	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-72.4	-39.4	177.3	-75	-22.1	0	0	0	111.4	K214 M215 K221 N222	K214-D218 WeakPolarHBondContact O-CB 3.4Å; K214-D218 PolarHBondContact O-N 3.5Å; M215-D218 PolarHBondContact O-N 3.01Å; D218-K221 PolarHBondContact O-N 2.99Å; D218-N222 WeakPolarHBondContact O-CB 3.37Å; D218-N222 VanDerWaalsContact O-CG 3.25Å; D218-N222 PolarHBondContact O-N 3.12Å; D218-N222 PolarHBondContact O-ND2 3.04Å
219	D	64.4	Low	65.1	Low	101 Å²	101	108.4 Å²	108.4	54%	0.54	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-40.9	171	-75.2	-17.4	0	0	0	111.2	M215 K221 N222 M223	M215-D219 WeakPolarHBondContact O-CB 2.96Å; M215-D219 PolarHBondContact O-N 2.89Å; D219-K221 PolarHBondContact O-N 2.9Å; D219-N222 PolarHBondContact O-N 3.24Å; D219-M223 VanDerWaalsContact O-CB 3.31Å; D219-M223 WeakPolarHBondContact O-CB 3.34Å; D219-M223 WeakPolarHBondContact O-CG 3.37Å; D219-M223 PolarHBondContact O-N 3.26Å
220	Q	55.5	Low	65.9	Low	127 Å²	127	111.3 Å²	111.3	59%	0.593	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-39.8	177	-145.9	174.2	19.1	0	0	111.3	A216 N222 M223 L224	A216-Q220 WeakPolarHBondContact O-CB 3.2Å; A216-Q220 PolarHBondContact O-N 3.31Å; Q220-N222 VanDerWaalsContact C-N 3.34Å; Q220-M223 PolarHBondContact O-N 3.34Å; Q220-L224 HydrophobicContact CG-CD1 4.44Å; Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 VanDerWaalsContact O-CD1 3.31Å; Q220-L224 WeakPolarHBondContact O-CD1 3.5Å; Q220-L224 VanDerWaalsContact O-CG 3.32Å; Q220-L224 WeakPolarHBondContact O-CG 3.34Å; Q220-L224 PolarHBondContact O-N 3.47Å
221	K	67.4	Low	66.2	Low	129 Å²	129	110.3 Å²	110.3	56%	0.561	53%	0.531	S	S	*	.	H	α-helix	trans	-64.6	-35.7	174.4	-81.2	173.4	-172.8	161.1	0	112.6	E217 D218 D219 P225	E217-K221 WeakPolarHBondContact O-CB 3.5Å; E217-K221 VanDerWaalsContact O-CG 3.3Å; E217-K221 WeakPolarHBondContact O-CG 3.49Å; E217-K221 PolarHBondContact O-N 3.06Å; D218-K221 PolarHBondContact O-N 2.99Å; D219-K221 PolarHBondContact O-N 2.9Å; K221-P225 WeakPolarHBondContact O-CD 3.35Å
222	N	69.8	Low	66.3	Low	118 Å²	118	111.8 Å²	111.8	63%	0.631	53%	0.532	S	S	*	.	H	α-helix	trans	-76.1	-35	177.3	-70.7	-22.7	0	0	0	112.5	D218 D219 Q220 P225	D218-N222 WeakPolarHBondContact O-CB 3.37Å; D218-N222 VanDerWaalsContact O-CG 3.25Å; D218-N222 PolarHBondContact O-N 3.12Å; D218-N222 PolarHBondContact O-ND2 3.04Å; D219-N222 PolarHBondContact O-N 3.24Å; Q220-N222 VanDerWaalsContact C-N 3.34Å; N222-P225 WeakPolarHBondContact O-CD 3.44Å
223	M	59.6	Low	66.5	Low	97 Å²	97	112.2 Å²	112.2	48%	0.478	53%	0.534	S	S	.	.	H	α-helix	trans	-81.9	-27.4	-180	-67.8	-66.7	-77.5	0	0	113.3	D219 Q220 E226 L227	D219-M223 VanDerWaalsContact O-CB 3.31Å; D219-M223 WeakPolarHBondContact O-CB 3.34Å; D219-M223 WeakPolarHBondContact O-CG 3.37Å; D219-M223 PolarHBondContact O-N 3.26Å; Q220-M223 PolarHBondContact O-N 3.34Å; M223-E226 PolarHBondContact O-N 2.8Å; M223-E226 VanDerWaalsContact O-N 3.1Å; M223-L227 HydrophobicContact CB-CD1 4.19Å; M223-L227 WeakPolarHBondContact O-CB 3.04Å; M223-L227 WeakPolarHBondContact O-CG 2.91Å; M223-L227 PolarHBondContact O-N 3Å
224	L	63	Low	66.8	Low	72 Å²	72	113.7 Å²	113.7	38%	0.377	54%	0.538	S	S	.	.	H	α-helix	trans	-54.8	-44.2	-178.9	-102.4	154.5	0	0	0	114.1	Q220 R228	Q220-L224 HydrophobicContact CG-CD1 4.44Å; Q220-L224 WeakPolarHBondContact O-CB 3.49Å; Q220-L224 VanDerWaalsContact O-CD1 3.31Å; Q220-L224 WeakPolarHBondContact O-CD1 3.5Å; Q220-L224 VanDerWaalsContact O-CG 3.32Å; Q220-L224 WeakPolarHBondContact O-CG 3.34Å; Q220-L224 PolarHBondContact O-N 3.47Å; L224-R228 WeakPolarHBondContact O-CB 3.42Å; L224-R228 VanDerWaalsContact O-CG 3.25Å; L224-R228 WeakPolarHBondContact O-CG 3.36Å; L224-R228 PolarHBondContact O-N 3.12Å
225	P	73.1	Confident	67	Low	70 Å²	70	113.2 Å²	113.2	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-63.8	-36.5	174.7	-23.3	33.2	0	0	0	113.7	K221 N222 K229	K221-P225 WeakPolarHBondContact O-CD 3.35Å; N222-P225 WeakPolarHBondContact O-CD 3.44Å; P225-K229 WeakPolarHBondContact O-CG 3.45Å; P225-K229 PolarHBondContact O-N 3.16Å; P225-K229 VanDerWaalsContact O-N 3.13Å
226	E	70.6	Confident	67.7	Low	111 Å²	111	111.9 Å²	111.9	52%	0.519	53%	0.528	S	S	.	.	H	α-helix	trans	-75.9	-40.9	178.9	-68.1	-163.4	153.9	0	0	112	M223 R228 K229 R230	M223-E226 PolarHBondContact O-N 2.8Å; M223-E226 VanDerWaalsContact O-N 3.1Å; E226-R228 VanDerWaalsContact C-N 3.3Å; E226-R228 PolarHBondContact O-N 3.13Å; E226-K229 CarbonylContact O-C 3.58Å; E226-K229 WeakPolarHBondContact O-CA 3.35Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3.32Å; E226-R230 PolarHBondContact O-N 2.64Å
227	L	64.9	Low	68.4	Low	94 Å²	94	115.8 Å²	115.8	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-36.8	172.1	-72.2	169.3	0	0	0	111.6	M223 K229 R230 S231	M223-L227 HydrophobicContact CB-CD1 4.19Å; M223-L227 WeakPolarHBondContact O-CB 3.04Å; M223-L227 WeakPolarHBondContact O-CG 2.91Å; M223-L227 PolarHBondContact O-N 3Å; L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 3Å; L227-R230 PolarHBondContact O-N 3.25Å; L227-S231 WeakPolarHBondContact O-CB 3.48Å; L227-S231 PolarHBondContact O-N 2.95Å
228	R	71.4	Confident	69	Low	179 Å²	179	118 Å²	118	68%	0.675	54%	0.543	S	S	*	.	H	α-helix	trans	-64	-35.6	170.6	-78.1	178.6	-167.4	179.9	5.1	112.4	L224 E226 R232	L224-R228 WeakPolarHBondContact O-CB 3.42Å; L224-R228 VanDerWaalsContact O-CG 3.25Å; L224-R228 WeakPolarHBondContact O-CG 3.36Å; L224-R228 PolarHBondContact O-N 3.12Å; E226-R228 VanDerWaalsContact C-N 3.3Å; E226-R228 PolarHBondContact O-N 3.13Å; R228-R232 WeakPolarHBondContact O-CB 3.47Å; R228-R232 PolarHBondContact O-N 3.41Å
229	K	71.8	Confident	69.5	Low	124 Å²	124	119.3 Å²	119.3	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-68.9	-46.4	174.3	-73.2	173.3	-175.8	174.7	0	111.3	P225 E226 L227 R232 W233	P225-K229 WeakPolarHBondContact O-CG 3.45Å; P225-K229 PolarHBondContact O-N 3.16Å; P225-K229 VanDerWaalsContact O-N 3.13Å; E226-K229 CarbonylContact O-C 3.58Å; E226-K229 WeakPolarHBondContact O-CA 3.35Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3.32Å; L227-K229 VanDerWaalsContact C-N 3.32Å; L227-K229 PolarHBondContact O-N 3Å; K229-R232 PolarHBondContact O-N 2.9Å; K229-W233 VanDerWaalsContact O-CG 3.25Å; K229-W233 PolarHBondContact O-N 2.94Å
230	R	69.3	Low	70.1	Confident	106 Å²	106	120.5 Å²	120.5	40%	0.4	54%	0.544	S	S	.	.	H	α-helix	trans	-60.5	-49.4	176.2	-74.4	-171.9	-179.4	-165	0.8	111.6	E226 L227 R232 W233 E234 E316	E226-R230 PolarHBondContact O-N 2.64Å; L227-R230 PolarHBondContact O-N 3.25Å; R230-R232 VanDerWaalsContact C-N 3.3Å; R230-R232 PolarHBondContact O-N 3.19Å; R230-W233 HydrophobicContact CG-CE3 4.48Å; R230-W233 WeakPolarHBondContact O-CB 3.47Å; R230-W233 PolarHBondContact O-N 3.26Å; R230-W233 VanDerWaalsContact O-N 3.08Å; R230-E234 PolarHBondContact O-N 3.31Å; R230-E316 IonicContact CZ-OE1 3.64Å; R230-E316 VanDerWaalsContact CZ-OE1 3.28Å; R230-E316 IonicContact NH1-OE1 2.69Å; R230-E316 PolarHBondContact NH1-OE1 3.1Å; R230-E316 IonicContact NH1-OE2 3.49Å; R230-E316 IonicContact NH2-OE1 3.67Å; R230-E316 PolarHBondContact NH2-OE1 3.43Å; R230-E316 IonicContact NH2-OE2 3.54Å
231	S	70.9	Confident	71.2	Confident	73 Å²	73	118 Å²	118	51%	0.51	53%	0.533	S	S	.	.	H	α-helix	trans	-59.7	-38.7	175.3	176.6	0	0	0	0	112.2	L227 E234 Y235	L227-S231 WeakPolarHBondContact O-CB 3.48Å; L227-S231 PolarHBondContact O-N 2.95Å; S231-E234 PolarHBondContact O-N 3.41Å; S231-Y235 VanDerWaalsContact O-CB 3.25Å; S231-Y235 WeakPolarHBondContact O-CB 3.44Å; S231-Y235 PolarHBondContact O-N 2.91Å
232	R	72.8	Confident	71.9	Confident	177 Å²	177	117 Å²	117	67%	0.668	53%	0.53	S	S	*	.	H	α-helix	trans	-67.9	-37.3	174.8	-171.4	175.6	178.9	-175.3	-0.6	112.2	R228 K229 R230 L236	R228-R232 WeakPolarHBondContact O-CB 3.47Å; R228-R232 PolarHBondContact O-N 3.41Å; K229-R232 PolarHBondContact O-N 2.9Å; R230-R232 VanDerWaalsContact C-N 3.3Å; R230-R232 PolarHBondContact O-N 3.19Å; R232-L236 HydrophobicContact CG-CD1 4.16Å; R232-L236 WeakPolarHBondContact O-CB 3.39Å; R232-L236 WeakPolarHBondContact O-CG 3.46Å; R232-L236 PolarHBondContact O-N 3.13Å
233	W	67.1	Low	72.5	Confident	174 Å²	174	117.8 Å²	117.8	66%	0.659	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-44	174.5	-66.7	-23.3	0	0	0	111.9	K229 R230 L236 K237	K229-W233 VanDerWaalsContact O-CG 3.25Å; K229-W233 PolarHBondContact O-N 2.94Å; R230-W233 HydrophobicContact CG-CE3 4.48Å; R230-W233 WeakPolarHBondContact O-CB 3.47Å; R230-W233 PolarHBondContact O-N 3.26Å; R230-W233 VanDerWaalsContact O-N 3.08Å; W233-L236 PolarHBondContact O-N 3.4Å; W233-K237 WeakPolarHBondContact O-CB 3.33Å; W233-K237 PolarHBondContact O-N 2.91Å
234	E	67.8	Low	73.7	Confident	138 Å²	138	115.1 Å²	115.1	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-63.4	-43.3	175	-74.3	177.3	176.5	0	0	111.8	R230 S231 L236 K237 K238	R230-E234 PolarHBondContact O-N 3.31Å; S231-E234 PolarHBondContact O-N 3.41Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.34Å; E234-K237 PolarHBondContact O-N 2.94Å; E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 3.45Å
235	Y	73.1	Confident	74.7	Confident	125 Å²	125	117.8 Å²	117.8	49%	0.49	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-43	174.9	176.3	-98.9	0	0	0	111.7	S231 K238 R239	S231-Y235 VanDerWaalsContact O-CB 3.25Å; S231-Y235 WeakPolarHBondContact O-CB 3.44Å; S231-Y235 PolarHBondContact O-N 2.91Å; Y235-K238 PolarHBondContact O-N 3.43Å; Y235-R239 WeakPolarHBondContact O-CB 3.47Å; Y235-R239 PolarHBondContact O-N 3.31Å; Y235-R239 PolarHBondContact OH-NH1 3.46Å
236	L	76.7	Confident	75.2	Confident	91 Å²	91	118.8 Å²	118.8	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-65.9	-41.6	177.7	-75.7	169.5	0	0	0	111.9	R232 W233 E234 R239 E240	R232-L236 HydrophobicContact CG-CD1 4.16Å; R232-L236 WeakPolarHBondContact O-CB 3.39Å; R232-L236 WeakPolarHBondContact O-CG 3.46Å; R232-L236 PolarHBondContact O-N 3.13Å; W233-L236 PolarHBondContact O-N 3.4Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.34Å; L236-R239 PolarHBondContact O-N 2.92Å; L236-E240 WeakPolarHBondContact O-CB 3.32Å; L236-E240 PolarHBondContact O-N 3.06Å
237	K	76.3	Confident	75.9	Confident	134 Å²	134	115 Å²	115	58%	0.583	51%	0.51	S	S	*	.	H	α-helix	trans	-63.1	-45.3	176.2	-171.5	-179.7	179.4	-174.2	0	111.4	W233 E234 R239 E240 E241	W233-K237 WeakPolarHBondContact O-CB 3.33Å; W233-K237 PolarHBondContact O-N 2.91Å; E234-K237 PolarHBondContact O-N 2.94Å; K237-R239 VanDerWaalsContact C-N 3.34Å; K237-R239 PolarHBondContact O-N 2.97Å; K237-E240 PolarHBondContact O-N 3.46Å; K237-E241 PolarHBondContact O-N 3.47Å
238	K	76.9	Confident	76.8	Confident	150 Å²	150	112.9 Å²	112.9	65%	0.652	50%	0.498	S	S	*	.	H	α-helix	trans	-63.6	-40.3	176.6	-171.7	174.3	-178.9	177.2	0	111.9	E234 Y235 E240 E241 E242	E234-K238 WeakPolarHBondContact O-CB 3.47Å; E234-K238 PolarHBondContact O-N 3.45Å; Y235-K238 PolarHBondContact O-N 3.43Å; K238-E240 VanDerWaalsContact C-N 3.34Å; K238-E241 PolarHBondContact O-N 2.77Å; K238-E242 WeakPolarHBondContact O-CB 3.42Å; K238-E242 PolarHBondContact O-N 2.78Å
239	R	76.6	Confident	77.5	Confident	116 Å²	116	106.6 Å²	106.6	44%	0.438	48%	0.484	S	S	.	.	H	α-helix	trans	-70.6	-30.1	178	-169.7	169.1	-172.9	172.2	-3	113	Y235 L236 K237 K243	Y235-R239 WeakPolarHBondContact O-CB 3.47Å; Y235-R239 PolarHBondContact O-N 3.31Å; Y235-R239 PolarHBondContact OH-NH1 3.46Å; L236-R239 PolarHBondContact O-N 2.92Å; K237-R239 VanDerWaalsContact C-N 3.34Å; K237-R239 PolarHBondContact O-N 2.97Å; R239-K243 WeakPolarHBondContact O-CB 3.3Å; R239-K243 WeakPolarHBondContact O-CG 3.45Å; R239-K243 PolarHBondContact O-N 3.12Å; R239-K243 VanDerWaalsContact O-N 3.1Å
240	E	77.9	Confident	78.1	Confident	125 Å²	125	105.2 Å²	105.2	58%	0.584	48%	0.48	S	S	*	.	H	α-helix	trans	-67.9	-41.8	171.9	-174.5	178.6	-174.8	0	0	111	L236 K237 K238 L244	L236-E240 WeakPolarHBondContact O-CB 3.32Å; L236-E240 PolarHBondContact O-N 3.06Å; K237-E240 PolarHBondContact O-N 3.46Å; K238-E240 VanDerWaalsContact C-N 3.34Å; E240-L244 PolarHBondContact O-N 3.02Å
241	E	78.6	Confident	78.8	Confident	75 Å²	75	100.3 Å²	100.3	35%	0.35	46%	0.461	S	S	.	.	H	α-helix	trans	-64.6	-47.9	174.1	-72.3	179.1	160.4	0	0	112	K237 K238 K243 L244 E245 K285	K237-E241 PolarHBondContact O-N 3.47Å; K238-E241 PolarHBondContact O-N 2.77Å; E241-K243 VanDerWaalsContact C-N 3.33Å; E241-K243 PolarHBondContact O-N 2.92Å; E241-L244 PolarHBondContact O-N 3.47Å; E241-E245 PolarHBondContact O-N 3.12Å; E241-K285 IonicContact OE1-NZ 2.72Å; E241-K285 PolarHBondContact OE1-NZ 3.47Å
242	E	81.4	Confident	79.4	Confident	107 Å²	107	101.6 Å²	101.6	50%	0.5	46%	0.461	S	S	.	.	H	α-helix	trans	-57.6	-44.1	177.6	-171.3	175.4	-161.7	0	0	111.5	K238 L244 E245 D246	K238-E242 WeakPolarHBondContact O-CB 3.42Å; K238-E242 PolarHBondContact O-N 2.78Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.36Å; E242-E245 PolarHBondContact O-N 3.48Å; E242-D246 WeakPolarHBondContact O-CB 3.41Å; E242-D246 VanDerWaalsContact O-CG 3.24Å; E242-D246 PolarHBondContact O-N 3.36Å
243	K	83.4	Confident	79.8	Confident	136 Å²	136	97.6 Å²	97.6	59%	0.591	45%	0.453	S	S	*	.	H	α-helix	trans	-65.2	-30	176	-81.7	-168.8	171.8	-163.4	0	114.2	R239 E241 L247	R239-K243 WeakPolarHBondContact O-CB 3.3Å; R239-K243 WeakPolarHBondContact O-CG 3.45Å; R239-K243 PolarHBondContact O-N 3.12Å; R239-K243 VanDerWaalsContact O-N 3.1Å; E241-K243 VanDerWaalsContact C-N 3.33Å; E241-K243 PolarHBondContact O-N 2.92Å; K243-L247 WeakPolarHBondContact O-CB 3.35Å; K243-L247 PolarHBondContact O-N 2.7Å; K243-L247 VanDerWaalsContact O-N 3.09Å
244	L	84.1	Confident	80.2	Confident	40 Å²	40	91.9 Å²	91.9	21%	0.209	43%	0.434	C	S	.	.	H	α-helix	trans	-76.2	-37.8	178.1	-167.7	142.6	0	0	0	110.4	E240 E241 E242 L247 E248 A281	E240-L244 PolarHBondContact O-N 3.02Å; E241-L244 PolarHBondContact O-N 3.47Å; E242-L244 VanDerWaalsContact C-N 3.29Å; E242-L244 PolarHBondContact O-N 3.36Å; L244-L247 PolarHBondContact O-N 3.47Å; L244-E248 WeakPolarHBondContact O-CG 3.38Å; L244-E248 PolarHBondContact O-N 3.44Å; L244-A281 HydrophobicContact CD1-CB 3.65Å
245	E	83.5	Confident	80.6	Confident	129 Å²	129	89.3 Å²	89.3	60%	0.603	42%	0.422	S	S	*	.	H	α-helix	trans	-64.5	-44.1	171.4	-70.8	178.5	177.4	0	0	111.6	E241 E242 L247 E248 A249	E241-E245 PolarHBondContact O-N 3.12Å; E242-E245 PolarHBondContact O-N 3.48Å; E245-L247 VanDerWaalsContact C-N 3.34Å; E245-L247 PolarHBondContact O-N 2.96Å; E245-E248 PolarHBondContact O-N 2.99Å; E245-A249 WeakPolarHBondContact O-CB 3.42Å; E245-A249 PolarHBondContact O-N 3.28Å
246	D	84.2	Confident	80.8	Confident	90 Å²	90	92 Å²	92	48%	0.481	43%	0.432	S	S	.	.	H	α-helix	trans	-59.6	-44.2	174.8	-71.3	-20.3	0	0	0	111.3	E242 E248 A249 E250	E242-D246 WeakPolarHBondContact O-CB 3.41Å; E242-D246 VanDerWaalsContact O-CG 3.24Å; E242-D246 PolarHBondContact O-N 3.36Å; D246-E248 VanDerWaalsContact C-N 3.31Å; D246-E248 PolarHBondContact O-N 3.18Å; D246-A249 PolarHBondContact O-N 3.1Å; D246-E250 WeakPolarHBondContact O-CG 3.29Å; D246-E250 PolarHBondContact O-N 2.99Å
247	L	86.3	Confident	80.6	Confident	32 Å²	32	93.5 Å²	93.5	17%	0.168	44%	0.44	C	S	.	.	H	α-helix	trans	-63.7	-37.1	177	-171.2	77.2	0	0	0	111.8	K243 L244 E245 I251 K274 L277 R278	K243-L247 WeakPolarHBondContact O-CB 3.35Å; K243-L247 PolarHBondContact O-N 2.7Å; K243-L247 VanDerWaalsContact O-N 3.09Å; L244-L247 PolarHBondContact O-N 3.47Å; E245-L247 VanDerWaalsContact C-N 3.34Å; E245-L247 PolarHBondContact O-N 2.96Å; L247-I251 HydrophobicContact CG-CD1 4.41Å; L247-I251 WeakPolarHBondContact O-CD1 3.32Å; L247-I251 VanDerWaalsContact O-CG1 3.25Å; L247-I251 WeakPolarHBondContact O-CG1 3.39Å; L247-I251 PolarHBondContact O-N 3.1Å; L247-I251 VanDerWaalsContact O-N 3.16Å; L247-K274 HydrophobicContact CD1-CB 4.46Å; L247-K274 HydrophobicContact CD1-CG 4.38Å; L247-L277 HydrophobicContact CD2-CB 4.49Å; L247-L277 HydrophobicContact CD2-CD2 4.05Å; L247-R278 HydrophobicContact CD2-CB 4.03Å
248	E	83.3	Confident	80.3	Confident	50 Å²	50	91.4 Å²	91.4	23%	0.234	43%	0.431	C	S	.	.	H	α-helix	trans	-68.5	-42.7	175.1	-77.1	-176.9	176.2	0	0	112.2	L244 E245 D246 I251 I252 R278 K282	L244-E248 WeakPolarHBondContact O-CG 3.38Å; L244-E248 PolarHBondContact O-N 3.44Å; E245-E248 PolarHBondContact O-N 2.99Å; D246-E248 VanDerWaalsContact C-N 3.31Å; D246-E248 PolarHBondContact O-N 3.18Å; E248-I251 PolarHBondContact O-N 3.24Å; E248-I252 WeakPolarHBondContact O-CD1 3.17Å; E248-I252 VanDerWaalsContact O-CG1 3.24Å; E248-I252 WeakPolarHBondContact O-CG1 3.44Å; E248-I252 PolarHBondContact O-N 2.88Å; E248-R278 HydrophobicContact CG-CG 3.99Å; E248-K282 WeakPolarHBondContact OE1-CE 3.33Å; E248-K282 IonicContact OE1-NZ 3.72Å; E248-K282 PolarHBondContact OE1-NZ 3.46Å
249	A	84.9	Confident	79.7	Confident	46 Å²	46	88.2 Å²	88.2	38%	0.38	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-44	175.9	0	0	0	0	0	111.3	E245 D246 I251 I252 D253	E245-A249 WeakPolarHBondContact O-CB 3.42Å; E245-A249 PolarHBondContact O-N 3.28Å; D246-A249 PolarHBondContact O-N 3.1Å; A249-I251 VanDerWaalsContact C-N 3.35Å; A249-I251 PolarHBondContact O-N 2.84Å; A249-I252 PolarHBondContact O-N 3.15Å; A249-D253 WeakPolarHBondContact O-CB 3.26Å; A249-D253 PolarHBondContact O-N 2.89Å
250	E	84.1	Confident	79	Confident	96 Å²	96	92.2 Å²	92.2	45%	0.449	45%	0.449	S	S	.	.	H	α-helix	trans	-58.5	-43.7	174.9	-80.4	-172.6	-165.1	0	0	112.3	D246 D253 E254 K274	D246-E250 WeakPolarHBondContact O-CG 3.29Å; D246-E250 PolarHBondContact O-N 2.99Å; E250-D253 PolarHBondContact O-N 3.48Å; E250-E254 WeakPolarHBondContact O-CB 3.34Å; E250-E254 WeakPolarHBondContact O-CG 3.43Å; E250-E254 PolarHBondContact O-N 3.34Å; E250-K274 IonicContact OE2-NZ 3.42Å; E250-K274 PolarHBondContact OE2-NZ 2.89Å
251	I	85.3	Confident	78.5	Confident	3 Å²	3	92.7 Å²	92.7	2%	0.015	45%	0.451	C	S	.	.	H	α-helix	trans	-64.2	-42.5	177.7	-68.1	165.5	0	0	0	110.5	L247 E248 A249 E255 K274 R275 R278	L247-I251 HydrophobicContact CG-CD1 4.41Å; L247-I251 WeakPolarHBondContact O-CD1 3.32Å; L247-I251 VanDerWaalsContact O-CG1 3.25Å; L247-I251 WeakPolarHBondContact O-CG1 3.39Å; L247-I251 PolarHBondContact O-N 3.1Å; L247-I251 VanDerWaalsContact O-N 3.16Å; E248-I251 PolarHBondContact O-N 3.24Å; A249-I251 VanDerWaalsContact C-N 3.35Å; A249-I251 PolarHBondContact O-N 2.84Å; I251-E255 HydrophobicContact CG2-CG 4.47Å; I251-E255 WeakPolarHBondContact CG2-OE1 3.45Å; I251-E255 WeakPolarHBondContact O-CB 3.3Å; I251-E255 WeakPolarHBondContact O-CG 3.44Å; I251-E255 PolarHBondContact O-N 2.77Å; I251-K274 HydrophobicContact CD1-CB 4.04Å; I251-K274 HydrophobicContact CG1-CB 4.02Å; I251-R275 HydrophobicContact CD1-CG 4.34Å; I251-R275 HydrophobicContact CG2-CG 4.32Å; I251-R278 HydrophobicContact CD1-CB 4.46Å
252	I	82.8	Confident	77.9	Confident	100 Å²	100	98.1 Å²	98.1	51%	0.513	48%	0.476	S	S	.	.	H	α-helix	trans	-66.8	-42	179.7	-69.6	165.5	0	0	0	111	E248 A249 E255 Y256	E248-I252 WeakPolarHBondContact O-CD1 3.17Å; E248-I252 VanDerWaalsContact O-CG1 3.24Å; E248-I252 WeakPolarHBondContact O-CG1 3.44Å; E248-I252 PolarHBondContact O-N 2.88Å; A249-I252 PolarHBondContact O-N 3.15Å; I252-E255 PolarHBondContact O-N 3.34Å; I252-Y256 VanDerWaalsContact O-CB 3.27Å; I252-Y256 WeakPolarHBondContact O-CB 3.36Å; I252-Y256 PolarHBondContact O-N 3.3Å
253	D	81.1	Confident	77.4	Confident	92 Å²	92	95.5 Å²	95.5	49%	0.492	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-43.7	178.3	-83.3	-3.8	0	0	0	111.1	A249 E250 E255 Y256 L257	A249-D253 WeakPolarHBondContact O-CB 3.26Å; A249-D253 PolarHBondContact O-N 2.89Å; E250-D253 PolarHBondContact O-N 3.48Å; D253-E255 VanDerWaalsContact C-N 3.35Å; D253-E255 PolarHBondContact O-N 3.39Å; D253-Y256 PolarHBondContact O-N 2.94Å; D253-L257 HydrophobicContact CB-CD1 4.37Å; D253-L257 VanDerWaalsContact O-CB 3.22Å; D253-L257 WeakPolarHBondContact O-CB 3.2Å; D253-L257 WeakPolarHBondContact O-CD1 3.29Å; D253-L257 WeakPolarHBondContact O-CG 3.19Å; D253-L257 PolarHBondContact O-N 3Å
254	E	77	Confident	77.3	Confident	55 Å²	55	92.6 Å²	92.6	26%	0.257	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-42.5	173.6	-77.5	177.6	-168.2	0	0	111.5	E250 Y256 F258 L271 K274	E250-E254 WeakPolarHBondContact O-CB 3.34Å; E250-E254 WeakPolarHBondContact O-CG 3.43Å; E250-E254 PolarHBondContact O-N 3.34Å; E254-Y256 VanDerWaalsContact C-N 3.35Å; E254-Y256 PolarHBondContact O-N 2.71Å; E254-F258 HydrophobicContact CB-CD2 4.5Å; E254-F258 WeakPolarHBondContact O-CB 3.39Å; E254-F258 WeakPolarHBondContact O-CD2 3.45Å; E254-F258 PolarHBondContact O-N 3.13Å; E254-F258 VanDerWaalsContact O-N 3.09Å; E254-L271 HydrophobicContact CB-CD1 4.19Å; E254-K274 IonicContact OE1-NZ 3.34Å; E254-K274 PolarHBondContact OE1-NZ 3.11Å; E254-K274 IonicContact OE2-NZ 2.89Å
255	E	76.3	Confident	76.9	Confident	83 Å²	83	97.6 Å²	97.6	39%	0.388	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-35.7	176.4	-76.6	175.2	-170.5	0	0	112.8	I251 I252 D253 S259 R275	I251-E255 HydrophobicContact CG2-CG 4.47Å; I251-E255 WeakPolarHBondContact CG2-OE1 3.45Å; I251-E255 WeakPolarHBondContact O-CB 3.3Å; I251-E255 WeakPolarHBondContact O-CG 3.44Å; I251-E255 PolarHBondContact O-N 2.77Å; I252-E255 PolarHBondContact O-N 3.34Å; D253-E255 VanDerWaalsContact C-N 3.35Å; D253-E255 PolarHBondContact O-N 3.39Å; E255-S259 VanDerWaalsContact O-CB 3.3Å; E255-S259 WeakPolarHBondContact O-CB 3.46Å; E255-S259 PolarHBondContact O-N 3.14Å; E255-R275 IonicContact OE1-CZ 2.9Å; E255-R275 IonicContact OE1-NE 3.47Å; E255-R275 PolarHBondContact OE1-NE 2.84Å; E255-R275 IonicContact OE1-NH2 3.71Å; E255-R275 PolarHBondContact OE1-NH2 2.77Å
256	Y	77.3	Confident	76.7	Confident	182 Å²	182	101 Å²	101	71%	0.714	49%	0.489	S	S	*	.	H	α-helix	trans	-76.4	-50.1	-180	-175.3	-102.5	0	0	0	111.8	I252 D253 E254 S259	I252-Y256 VanDerWaalsContact O-CB 3.27Å; I252-Y256 WeakPolarHBondContact O-CB 3.36Å; I252-Y256 PolarHBondContact O-N 3.3Å; D253-Y256 PolarHBondContact O-N 2.94Å; E254-Y256 VanDerWaalsContact C-N 3.35Å; E254-Y256 PolarHBondContact O-N 2.71Å; Y256-S259 PolarHBondContact O-OG 2.82Å
257	L	71.7	Confident	76.4	Confident	122 Å²	122	101.1 Å²	101.1	64%	0.639	49%	0.486	S	S	*	.	H	α-helix	trans	-65.7	-41.4	-177.2	-76.9	159.4	0	0	0	112.3	D253	D253-L257 HydrophobicContact CB-CD1 4.37Å; D253-L257 VanDerWaalsContact O-CB 3.22Å; D253-L257 WeakPolarHBondContact O-CB 3.2Å; D253-L257 WeakPolarHBondContact O-CD1 3.29Å; D253-L257 WeakPolarHBondContact O-CG 3.19Å; D253-L257 PolarHBondContact O-N 3Å
258	F	69.3	Low	76	Confident	90 Å²	90	106 Å²	106	40%	0.395	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	15.3	-176.3	-57.1	-73.2	0	0	0	113.8	E254 K260 E261 L263	E254-F258 HydrophobicContact CB-CD2 4.5Å; E254-F258 WeakPolarHBondContact O-CB 3.39Å; E254-F258 WeakPolarHBondContact O-CD2 3.45Å; E254-F258 PolarHBondContact O-N 3.13Å; E254-F258 VanDerWaalsContact O-N 3.09Å; F258-K260 PolarHBondContact O-N 2.78Å; F258-E261 PolarHBondContact O-N 3.08Å; F258-L263 HydrophobicContact CB-CD2 4.14Å; F258-L263 HydrophobicContact CG-CD2 4.47Å
259	S	64.6	Low	76.1	Confident	84 Å²	84	111.1 Å²	111.1	59%	0.587	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-18.8	-179.5	56.7	0	0	0	0	115.4	E255 Y256	E255-S259 VanDerWaalsContact O-CB 3.3Å; E255-S259 WeakPolarHBondContact O-CB 3.46Å; E255-S259 PolarHBondContact O-N 3.14Å; Y256-S259 PolarHBondContact O-OG 2.82Å
260	K	61.6	Low	76	Confident	200 Å²	200	113.9 Å²	113.9	87%	0.87	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-1.5	-176	-64.2	-177.8	-177.3	175.1	0	114.6	F258	F258-K260 PolarHBondContact O-N 2.78Å
261	E	67.8	Low	75.9	Confident	135 Å²	135	110 Å²	110	63%	0.631	51%	0.507	S	S	*	.	S	Bend	trans	-108.1	145.1	-179.1	-70.1	-174.1	164	0	0	111.6	F258 L263	F258-E261 PolarHBondContact O-N 3.08Å; E261-L263 PolarHBondContact O-N 3.49Å; E261-L263 VanDerWaalsContact O-N 3.07Å
262	E	65.3	Low	75.9	Confident	188 Å²	188	115.4 Å²	115.4	88%	0.879	53%	0.532	S	S	*	.			trans	-77.5	94.2	175.8	-69.7	-172.2	167.1	0	0	110.2	T264	E262-T264 PolarHBondContact O-N 3.38Å
263	L	72.6	Confident	76.2	Confident	52 Å²	52	117.8 Å²	117.8	27%	0.272	54%	0.536	S	S	.	.			trans	-52.9	134.6	177.1	-72.1	156.4	0	0	0	112.2	F258 E261 E267 R268	F258-L263 HydrophobicContact CB-CD2 4.14Å; F258-L263 HydrophobicContact CG-CD2 4.47Å; E261-L263 PolarHBondContact O-N 3.49Å; E261-L263 VanDerWaalsContact O-N 3.07Å; L263-E267 HydrophobicContact CD2-CB 4.02Å; L263-R268 HydrophobicContact CB-CG 3.79Å; L263-R268 PolarHBondContact O-NE 3.26Å; L263-R268 VanDerWaalsContact O-NE 3.09Å
264	T	80.4	Confident	76.6	Confident	76 Å²	76	114.8 Å²	114.8	47%	0.466	52%	0.518	S	S	.	.			trans	-66.5	157	176.5	62.8	0	0	0	0	111.5	E262 R266 E267 R268	E262-T264 PolarHBondContact O-N 3.38Å; T264-R266 PolarHBondContact O-N 3.49Å; T264-E267 WeakPolarHBondContact CB-OE2 3.38Å; T264-E267 PolarHBondContact N-OE2 2.89Å; T264-E267 PolarHBondContact O-N 3.48Å; T264-E267 VanDerWaalsContact O-N 3.12Å; T264-E267 WeakPolarHBondContact OG1-CG 3.36Å; T264-E267 PolarHBondContact OG1-OE2 3.45Å; T264-R268 PolarHBondContact O-N 3.44Å
265	E	76	Confident	77	Confident	145 Å²	145	116.8 Å²	116.8	68%	0.678	52%	0.524	S	S	*	.	H	α-helix	trans	-56.8	-28.1	179.8	-75.3	-168.5	178.8	0	0	113.5	R269	E265-R269 WeakPolarHBondContact O-CG 3.38Å; E265-R269 PolarHBondContact O-N 2.83Å; E265-R269 IonicContact OE2-NH2 3.61Å; E265-R269 PolarHBondContact OE2-NH2 3Å; E265-R269 VanDerWaalsContact OE2-NH2 3.14Å
266	R	78.9	Confident	77.6	Confident	201 Å²	201	116.4 Å²	116.4	76%	0.758	53%	0.527	S	S	*	.	H	α-helix	trans	-72.1	-46	178.3	-173.9	176.8	175.7	176.5	-2.2	111.3	T264 R269 E270	T264-R266 PolarHBondContact O-N 3.49Å; R266-R269 PolarHBondContact O-N 3.24Å; R266-E270 PolarHBondContact O-N 3.47Å; R266-E270 VanDerWaalsContact O-N 3.1Å
267	E	78.1	Confident	78.1	Confident	92 Å²	92	111.4 Å²	111.4	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-67.9	-37.3	179.5	-68.7	156.7	166.4	0	0	111.5	L263 T264 R269 E270 L271	L263-E267 HydrophobicContact CD2-CB 4.02Å; T264-E267 WeakPolarHBondContact CB-OE2 3.38Å; T264-E267 PolarHBondContact N-OE2 2.89Å; T264-E267 PolarHBondContact O-N 3.48Å; T264-E267 VanDerWaalsContact O-N 3.12Å; T264-E267 WeakPolarHBondContact OG1-CG 3.36Å; T264-E267 PolarHBondContact OG1-OE2 3.45Å; E267-R269 PolarHBondContact O-N 3.02Å; E267-E270 PolarHBondContact O-N 3.08Å; E267-L271 WeakPolarHBondContact O-CB 3.45Å; E267-L271 PolarHBondContact O-N 2.81Å
268	R	78.8	Confident	78.8	Confident	133 Å²	133	108.6 Å²	108.6	50%	0.502	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-43.4	173.9	-70.2	-174.9	-170.8	-167.3	-1.8	112.5	L263 T264 E270 L271 E272	L263-R268 HydrophobicContact CB-CG 3.79Å; L263-R268 PolarHBondContact O-NE 3.26Å; L263-R268 VanDerWaalsContact O-NE 3.09Å; T264-R268 PolarHBondContact O-N 3.44Å; R268-E270 VanDerWaalsContact C-N 3.31Å; R268-E270 PolarHBondContact O-N 3.15Å; R268-L271 PolarHBondContact O-N 2.8Å; R268-E272 WeakPolarHBondContact O-CB 3.38Å; R268-E272 WeakPolarHBondContact O-CG 3.47Å; R268-E272 PolarHBondContact O-N 3.34Å
269	R	83.8	Confident	79.6	Confident	158 Å²	158	107.5 Å²	107.5	60%	0.596	49%	0.491	S	S	*	.	H	α-helix	trans	-66.8	-34.5	176.9	-72.9	-178.6	-155.2	150.3	12.3	112.1	E265 R266 E267 Y273	E265-R269 WeakPolarHBondContact O-CG 3.38Å; E265-R269 PolarHBondContact O-N 2.83Å; E265-R269 IonicContact OE2-NH2 3.61Å; E265-R269 PolarHBondContact OE2-NH2 3Å; E265-R269 VanDerWaalsContact OE2-NH2 3.14Å; R266-R269 PolarHBondContact O-N 3.24Å; E267-R269 PolarHBondContact O-N 3.02Å; R269-Y273 VanDerWaalsContact O-CB 3.25Å; R269-Y273 WeakPolarHBondContact O-CB 3.22Å; R269-Y273 PolarHBondContact O-N 3.48Å
270	E	84.1	Confident	80.7	Confident	105 Å²	105	109 Å²	109	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-69.4	-42.9	177.7	-168.6	163.1	-171.1	0	0	111.5	R266 E267 R268 Y273 K274	R266-E270 PolarHBondContact O-N 3.47Å; R266-E270 VanDerWaalsContact O-N 3.1Å; E267-E270 PolarHBondContact O-N 3.08Å; R268-E270 VanDerWaalsContact C-N 3.31Å; R268-E270 PolarHBondContact O-N 3.15Å; E270-Y273 WeakPolarHBondContact O-CB 3.42Å; E270-Y273 PolarHBondContact O-N 3.38Å; E270-K274 WeakPolarHBondContact O-CG 3.34Å; E270-K274 PolarHBondContact O-N 3.1Å
271	L	82.4	Confident	81.7	Confident	15 Å²	15	101.4 Å²	101.4	8%	0.079	47%	0.466	C	S	.	.	H	α-helix	trans	-67.3	-41.1	175.8	-165.1	151.7	0	0	0	111.8	E254 E267 R268 Y273 K274 R275	E254-L271 HydrophobicContact CB-CD1 4.19Å; E267-L271 WeakPolarHBondContact O-CB 3.45Å; E267-L271 PolarHBondContact O-N 2.81Å; R268-L271 PolarHBondContact O-N 2.8Å; L271-Y273 VanDerWaalsContact C-N 3.33Å; L271-Y273 PolarHBondContact O-N 2.8Å; L271-K274 PolarHBondContact O-N 2.81Å; L271-R275 HydrophobicContact CD2-CG 4.27Å; L271-R275 VanDerWaalsContact CD2-NE 3.28Å; L271-R275 WeakPolarHBondContact O-CG 3.44Å; L271-R275 PolarHBondContact O-N 3.01Å
272	E	84.4	Confident	82.4	Confident	115 Å²	115	99 Å²	99	54%	0.537	45%	0.454	S	S	.	.	H	α-helix	trans	-61	-42	171	-78.6	177	-179.2	0	0	111.8	R268 R275 T276	R268-E272 WeakPolarHBondContact O-CB 3.38Å; R268-E272 WeakPolarHBondContact O-CG 3.47Å; R268-E272 PolarHBondContact O-N 3.34Å; E272-R275 PolarHBondContact O-N 3.41Å; E272-T276 WeakPolarHBondContact O-CG2 3.45Å; E272-T276 PolarHBondContact O-N 3.08Å; E272-T276 PolarHBondContact O-OG1 3.31Å
273	Y	89.5	Confident	83.3	Confident	150 Å²	150	94.5 Å²	94.5	59%	0.588	44%	0.436	S	S	*	.	H	α-helix	trans	-60.9	-48.1	175.5	179	-103.8	0	0	0	111.7	R269 E270 L271 R275 T276 L277	R269-Y273 VanDerWaalsContact O-CB 3.25Å; R269-Y273 WeakPolarHBondContact O-CB 3.22Å; R269-Y273 PolarHBondContact O-N 3.48Å; E270-Y273 WeakPolarHBondContact O-CB 3.42Å; E270-Y273 PolarHBondContact O-N 3.38Å; L271-Y273 VanDerWaalsContact C-N 3.33Å; L271-Y273 PolarHBondContact O-N 2.8Å; Y273-R275 VanDerWaalsContact C-N 3.33Å; Y273-R275 PolarHBondContact O-N 3.4Å; Y273-T276 PolarHBondContact O-N 2.93Å; Y273-T276 PolarHBondContact O-OG1 3.48Å; Y273-L277 WeakPolarHBondContact O-CB 3.43Å; Y273-L277 PolarHBondContact O-N 2.9Å
274	K	88	Confident	83.8	Confident	30 Å²	30	100.4 Å²	100.4	13%	0.13	46%	0.456	C	S	.	.	H	α-helix	trans	-58.3	-42.3	175.6	-70.4	-175.9	-177.6	-169.8	0	112.1	L247 E250 I251 E254 E270 L271 L277 R278	L247-K274 HydrophobicContact CD1-CB 4.46Å; L247-K274 HydrophobicContact CD1-CG 4.38Å; E250-K274 IonicContact OE2-NZ 3.42Å; E250-K274 PolarHBondContact OE2-NZ 2.89Å; I251-K274 HydrophobicContact CD1-CB 4.04Å; I251-K274 HydrophobicContact CG1-CB 4.02Å; E254-K274 IonicContact OE1-NZ 3.34Å; E254-K274 PolarHBondContact OE1-NZ 3.11Å; E254-K274 IonicContact OE2-NZ 2.89Å; E270-K274 WeakPolarHBondContact O-CG 3.34Å; E270-K274 PolarHBondContact O-N 3.1Å; L271-K274 PolarHBondContact O-N 2.81Å; K274-L277 WeakPolarHBondContact O-CB 3.4Å; K274-L277 PolarHBondContact O-N 3.3Å; K274-R278 PolarHBondContact O-N 3.35Å
275	R	85.8	Confident	83.6	Confident	97 Å²	97	102.5 Å²	102.5	37%	0.366	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-48.1	175.2	-75.7	176.5	175.3	169.5	1.6	112.2	I251 E255 L271 E272 Y273 L277 R278 D279	I251-R275 HydrophobicContact CD1-CG 4.34Å; I251-R275 HydrophobicContact CG2-CG 4.32Å; E255-R275 IonicContact OE1-CZ 2.9Å; E255-R275 IonicContact OE1-NE 3.47Å; E255-R275 PolarHBondContact OE1-NE 2.84Å; E255-R275 IonicContact OE1-NH2 3.71Å; E255-R275 PolarHBondContact OE1-NH2 2.77Å; L271-R275 HydrophobicContact CD2-CG 4.27Å; L271-R275 VanDerWaalsContact CD2-NE 3.28Å; L271-R275 WeakPolarHBondContact O-CG 3.44Å; L271-R275 PolarHBondContact O-N 3.01Å; E272-R275 PolarHBondContact O-N 3.41Å; Y273-R275 VanDerWaalsContact C-N 3.33Å; Y273-R275 PolarHBondContact O-N 3.4Å; R275-L277 VanDerWaalsContact C-N 3.27Å; R275-L277 PolarHBondContact O-N 2.98Å; R275-R278 PolarHBondContact O-N 3.43Å; R275-D279 PolarHBondContact O-N 2.84Å
276	T	88.5	Confident	83.7	Confident	74 Å²	74	101.4 Å²	101.4	45%	0.454	45%	0.453	S	S	.	.	H	α-helix	trans	-62.4	-36	177.9	59.4	0	0	0	0	112.3	E272 Y273 D279 L280	E272-T276 WeakPolarHBondContact O-CG2 3.45Å; E272-T276 PolarHBondContact O-N 3.08Å; E272-T276 PolarHBondContact O-OG1 3.31Å; Y273-T276 PolarHBondContact O-N 2.93Å; Y273-T276 PolarHBondContact O-OG1 3.48Å; T276-D279 PolarHBondContact O-N 3.21Å; T276-L280 WeakPolarHBondContact O-CB 3.47Å; T276-L280 VanDerWaalsContact O-CG 3.31Å; T276-L280 WeakPolarHBondContact O-CG 3.49Å; T276-L280 PolarHBondContact O-N 2.87Å
277	L	88.4	Confident	83.7	Confident	78 Å²	78	94.6 Å²	94.6	41%	0.408	44%	0.44	S	S	.	.	H	α-helix	trans	-65.2	-44.6	177	-162.8	85.7	0	0	0	111.8	L247 Y273 K274 R275 A281	L247-L277 HydrophobicContact CD2-CB 4.49Å; L247-L277 HydrophobicContact CD2-CD2 4.05Å; Y273-L277 WeakPolarHBondContact O-CB 3.43Å; Y273-L277 PolarHBondContact O-N 2.9Å; K274-L277 WeakPolarHBondContact O-CB 3.4Å; K274-L277 PolarHBondContact O-N 3.3Å; R275-L277 VanDerWaalsContact C-N 3.27Å; R275-L277 PolarHBondContact O-N 2.98Å; L277-A281 WeakPolarHBondContact O-CB 3.07Å; L277-A281 PolarHBondContact O-N 3.32Å
278	R	86.8	Confident	83.6	Confident	62 Å²	62	91.6 Å²	91.6	23%	0.234	43%	0.434	C	S	.	.	H	α-helix	trans	-58.6	-47.5	175.2	-179.5	-156.5	66.5	-164.9	-5.6	111.3	L247 E248 I251 K274 R275 A281 K282	L247-R278 HydrophobicContact CD2-CB 4.03Å; E248-R278 HydrophobicContact CG-CG 3.99Å; I251-R278 HydrophobicContact CD1-CB 4.46Å; K274-R278 PolarHBondContact O-N 3.35Å; R275-R278 PolarHBondContact O-N 3.43Å; R278-A281 PolarHBondContact O-N 3.06Å; R278-K282 PolarHBondContact O-N 3.14Å
279	D	85.9	Confident	83.2	Confident	68 Å²	68	87.7 Å²	87.7	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-66.7	-43.4	-175.9	-66.9	-17.2	0	0	0	111.1	R275 T276 A281 K282 D283	R275-D279 PolarHBondContact O-N 2.84Å; T276-D279 PolarHBondContact O-N 3.21Å; D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 2.97Å; D279-K282 PolarHBondContact O-N 3.07Å; D279-D283 PolarHBondContact O-N 3.43Å
280	L	87.4	Confident	82.7	Confident	116 Å²	116	86.6 Å²	86.6	61%	0.607	43%	0.43	S	S	*	.	H	α-helix	trans	-60.7	-39	173.5	-75.2	167.6	0	0	0	112.8	T276 D283 Y284	T276-L280 WeakPolarHBondContact O-CB 3.47Å; T276-L280 VanDerWaalsContact O-CG 3.31Å; T276-L280 WeakPolarHBondContact O-CG 3.49Å; T276-L280 PolarHBondContact O-N 2.87Å; L280-D283 PolarHBondContact O-N 3.32Å; L280-Y284 WeakPolarHBondContact O-CB 3.39Å; L280-Y284 PolarHBondContact O-N 3.36Å
281	A	82.5	Confident	82	Confident	39 Å²	39	87.5 Å²	87.5	32%	0.322	43%	0.434	S	S	.	.	H	α-helix	trans	-67.5	-37.4	177.2	0	0	0	0	0	112.3	L244 L277 R278 D279 K285	L244-A281 HydrophobicContact CD1-CB 3.65Å; L277-A281 WeakPolarHBondContact O-CB 3.07Å; L277-A281 PolarHBondContact O-N 3.32Å; R278-A281 PolarHBondContact O-N 3.06Å; D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 2.97Å; A281-K285 PolarHBondContact O-N 2.77Å; A281-K285 VanDerWaalsContact O-N 3.13Å
282	K	82.9	Confident	81	Confident	84 Å²	84	93.3 Å²	93.3	37%	0.365	46%	0.461	S	S	.	.	H	α-helix	trans	-66.5	-43.6	173.8	-77.3	-176	176.1	175.6	0	112.4	E248 R278 D279 Y284 K285 Q286	E248-K282 WeakPolarHBondContact OE1-CE 3.33Å; E248-K282 IonicContact OE1-NZ 3.72Å; E248-K282 PolarHBondContact OE1-NZ 3.46Å; R278-K282 PolarHBondContact O-N 3.14Å; D279-K282 PolarHBondContact O-N 3.07Å; K282-Y284 VanDerWaalsContact C-N 3.31Å; K282-Y284 PolarHBondContact O-N 2.9Å; K282-K285 PolarHBondContact O-N 3.17Å; K282-Q286 PolarHBondContact O-N 3.42Å
283	D	84.7	Confident	80	Confident	94 Å²	94	94 Å²	94	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-63.4	-40.1	178.1	-73.3	-12.2	0	0	0	111.2	D279 L280 K285 Q286 A287	D279-D283 PolarHBondContact O-N 3.43Å; L280-D283 PolarHBondContact O-N 3.32Å; D283-K285 PolarHBondContact O-N 3.18Å; D283-Q286 PolarHBondContact O-N 2.84Å; D283-A287 WeakPolarHBondContact O-CB 3.47Å; D283-A287 PolarHBondContact O-N 3.08Å
284	Y	81.6	Confident	78.8	Confident	176 Å²	176	92.8 Å²	92.8	69%	0.69	46%	0.464	S	S	*	.	H	α-helix	trans	-61.1	-43.3	173.9	-174.7	-98.5	0	0	0	112.2	L280 K282 A287 G288	L280-Y284 WeakPolarHBondContact O-CB 3.39Å; L280-Y284 PolarHBondContact O-N 3.36Å; K282-Y284 VanDerWaalsContact C-N 3.31Å; K282-Y284 PolarHBondContact O-N 2.9Å; Y284-A287 PolarHBondContact O-N 3.49Å; Y284-G288 PolarHBondContact O-N 3Å
285	K	78.1	Confident	77.6	Confident	120 Å²	120	100.2 Å²	100.2	52%	0.522	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-41.1	177	-166.3	174.3	-173.7	173	0	111.9	E241 A281 K282 D283 G288 A289	E241-K285 IonicContact OE1-NZ 2.72Å; E241-K285 PolarHBondContact OE1-NZ 3.47Å; A281-K285 PolarHBondContact O-N 2.77Å; A281-K285 VanDerWaalsContact O-N 3.13Å; K282-K285 PolarHBondContact O-N 3.17Å; D283-K285 PolarHBondContact O-N 3.18Å; K285-G288 PolarHBondContact O-N 2.95Å; K285-A289 PolarHBondContact O-N 2.84Å
286	Q	77.7	Confident	76.3	Confident	122 Å²	122	104.1 Å²	104.1	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-66.5	-40.3	175.5	-80.6	-172	0.7	0	0	112.7	K282 D283 A289 K290	K282-Q286 PolarHBondContact O-N 3.42Å; D283-Q286 PolarHBondContact O-N 2.84Å; Q286-A289 PolarHBondContact O-N 3.46Å; Q286-K290 PolarHBondContact O-N 3.43Å; Q286-K290 VanDerWaalsContact O-N 3.08Å
287	A	77.5	Confident	74.7	Confident	58 Å²	58	107.2 Å²	107.2	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175.7	0	0	0	0	0	111.4	D283 Y284 A289 K290 E291	D283-A287 WeakPolarHBondContact O-CB 3.47Å; D283-A287 PolarHBondContact O-N 3.08Å; Y284-A287 PolarHBondContact O-N 3.49Å; A287-A289 PolarHBondContact O-N 2.86Å; A287-K290 PolarHBondContact O-N 3.29Å; A287-E291 PolarHBondContact O-N 2.87Å
288	G	75.8	Confident	73	Confident	29 Å²	29	111.4 Å²	111.4	30%	0.299	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-35.6	175.9	0	0	0	0	0	113.7	Y284 K285 E291 Q292	Y284-G288 PolarHBondContact O-N 3Å; K285-G288 PolarHBondContact O-N 2.95Å; G288-E291 PolarHBondContact O-N 3.03Å; G288-Q292 WeakPolarHBondContact O-CG 3.25Å; G288-Q292 PolarHBondContact O-N 3.44Å; G288-Q292 VanDerWaalsContact O-N 3.09Å
289	A	71.8	Confident	71.2	Confident	52 Å²	52	119.2 Å²	119.2	43%	0.43	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-43.5	174.9	0	0	0	0	0	112	K285 Q286 A287 E291 Q292 E293	K285-A289 PolarHBondContact O-N 2.84Å; Q286-A289 PolarHBondContact O-N 3.46Å; A287-A289 PolarHBondContact O-N 2.86Å; A289-E291 PolarHBondContact O-N 2.95Å; A289-Q292 PolarHBondContact O-N 2.54Å; A289-E293 PolarHBondContact O-N 2.95Å
290	K	73.7	Confident	69.4	Low	134 Å²	134	125.4 Å²	125.4	58%	0.583	59%	0.585	S	S	*	*	H	α-helix	trans	-61.3	-42.2	174.2	-76.5	-179.6	177.6	176	0	112.1	Q286 A287 Q292 E293 E294	Q286-K290 PolarHBondContact O-N 3.43Å; Q286-K290 VanDerWaalsContact O-N 3.08Å; A287-K290 PolarHBondContact O-N 3.29Å; K290-Q292 VanDerWaalsContact C-N 3.31Å; K290-Q292 PolarHBondContact O-N 3.37Å; K290-E293 PolarHBondContact O-N 2.96Å; K290-E294 WeakPolarHBondContact O-CB 3.47Å; K290-E294 WeakPolarHBondContact O-CG 3.43Å; K290-E294 PolarHBondContact O-N 2.9Å
291	E	68.8	Low	67	Low	124 Å²	124	127.6 Å²	127.6	58%	0.579	59%	0.594	S	S	*	*	H	α-helix	trans	-63.5	-37.3	177.5	-167.2	-174.9	175.4	0	0	112.1	A287 G288 A289 R295	A287-E291 PolarHBondContact O-N 2.87Å; G288-E291 PolarHBondContact O-N 3.03Å; A289-E291 PolarHBondContact O-N 2.95Å; E291-R295 VanDerWaalsContact O-CB 3.25Å; E291-R295 WeakPolarHBondContact O-CB 3.48Å; E291-R295 PolarHBondContact O-N 2.72Å
292	Q	62.1	Low	65	Low	137 Å²	137	130.7 Å²	130.7	64%	0.64	61%	0.611	S	S	*	*	H	α-helix	trans	-68.1	-40.1	175.2	-75.4	-173.1	6.7	0	0	112.8	G288 A289 K290 R295 K296	G288-Q292 WeakPolarHBondContact O-CG 3.25Å; G288-Q292 PolarHBondContact O-N 3.44Å; G288-Q292 VanDerWaalsContact O-N 3.09Å; A289-Q292 PolarHBondContact O-N 2.54Å; K290-Q292 VanDerWaalsContact C-N 3.31Å; K290-Q292 PolarHBondContact O-N 3.37Å; Q292-R295 PolarHBondContact O-N 2.58Å; Q292-K296 PolarHBondContact O-N 2.97Å
293	E	63	Low	63.2	Low	129 Å²	129	134.7 Å²	134.7	60%	0.603	63%	0.631	S	S	*	*	H	α-helix	trans	-64	-44.8	173.7	-77.1	-174.9	158.2	0	0	111.7	A289 K290 R295 K296 N297	A289-E293 PolarHBondContact O-N 2.95Å; K290-E293 PolarHBondContact O-N 2.96Å; E293-R295 PolarHBondContact O-N 2.85Å; E293-K296 PolarHBondContact O-N 3.15Å; E293-N297 PolarHBondContact O-N 3.15Å; E293-N297 VanDerWaalsContact O-N 3.1Å
294	E	64.3	Low	61.4	Low	126 Å²	126	139.6 Å²	139.6	59%	0.589	65%	0.651	S	S	*	*	H	α-helix	trans	-64.1	-29.7	175.2	-73.4	-177.8	179.3	0	0	112.7	K290	K290-E294 WeakPolarHBondContact O-CB 3.47Å; K290-E294 WeakPolarHBondContact O-CG 3.43Å; K290-E294 PolarHBondContact O-N 2.9Å
295	R	61.6	Low	59.2	Low	185 Å²	185	141.9 Å²	141.9	70%	0.698	66%	0.658	S	S	*	*	H	α-helix	trans	-74.2	-35.6	175	-169.5	174.2	176	179.7	-3	112.4	E291 Q292 E293 N297 R298	E291-R295 VanDerWaalsContact O-CB 3.25Å; E291-R295 WeakPolarHBondContact O-CB 3.48Å; E291-R295 PolarHBondContact O-N 2.72Å; Q292-R295 PolarHBondContact O-N 2.58Å; E293-R295 PolarHBondContact O-N 2.85Å; R295-N297 VanDerWaalsContact C-N 3.31Å; R295-R298 PolarHBondContact O-N 2.78Å
296	K	60.1	Low	57.8	Low	180 Å²	180	148.8 Å²	148.8	78%	0.783	68%	0.681	S	S	*	*	H	α-helix	trans	-67.2	-31.9	173	-77.1	-179.3	177.4	-177.9	0	112.4	Q292 E293 R298	Q292-K296 PolarHBondContact O-N 2.97Å; E293-K296 PolarHBondContact O-N 3.15Å; K296-R298 VanDerWaalsContact C-N 3.31Å; K296-R298 PolarHBondContact O-N 3.47Å
297	N	53.5	Low	55.8	Low	138 Å²	138	147.8 Å²	147.8	74%	0.738	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	0.5	-179.7	-70.1	-17	0	0	0	114.7	E293 R295 Y299	E293-N297 PolarHBondContact O-N 3.15Å; E293-N297 VanDerWaalsContact O-N 3.1Å; R295-N297 VanDerWaalsContact C-N 3.31Å; N297-Y299 PolarHBondContact O-N 2.88Å
298	R	53.4	Low	54.5	Low	166 Å²	166	154.6 Å²	154.6	63%	0.626	71%	0.707	S	S	*	*			trans	-83.9	110.2	176.2	-94.1	179.5	-89.7	-178.7	-7.2	111.1	R295 K296 Y300	R295-R298 PolarHBondContact O-N 2.78Å; K296-R298 VanDerWaalsContact C-N 3.31Å; K296-R298 PolarHBondContact O-N 3.47Å; R298-Y300 PolarHBondContact O-N 3.24Å
299	Y	49.1	Very low	52.9	Low	226 Å²	226	160.2 Å²	160.2	89%	0.886	73%	0.73	S	S	*	*			trans	-69.8	119.9	173.9	-163.4	-100.1	0	0	0	110.7	N297	N297-Y299 PolarHBondContact O-N 2.88Å
300	Y	46.7	Very low	51.3	Low	199 Å²	199	164.1 Å²	164.1	78%	0.78	75%	0.748	S	S	*	*			trans	-93.2	116	178.8	-175.5	-98.6	0	0	0	110.2	R298 P302	R298-Y300 PolarHBondContact O-N 3.24Å; Y300-P302 WeakPolarHBondContact O-CD 3.45Å
301	M	37.8	Very low	49.5	Very low	162 Å²	162	163.2 Å²	163.2	80%	0.798	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-83.4	117.9	177.7	-170.4	164.9	166.2	0	0	109.8
302	P	41.1	Very low	48.2	Very low	104 Å²	104	166.1 Å²	166.1	68%	0.675	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-74.3	128.4	-177.4	-14.1	29.4	0	0	0	111.6	Y300	Y300-P302 WeakPolarHBondContact O-CD 3.45Å
303	E	44.2	Very low	46.8	Very low	167 Å²	167	170.6 Å²	170.6	78%	0.78	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-82.5	128.2	171.4	-70.4	-172.2	170.2	0	0	111.3	R305	E303-R305 PolarHBondContact O-N 3.05Å
304	E	47	Very low	45.6	Very low	198 Å²	198	170.3 Å²	170.3	93%	0.925	78%	0.783	S	S	*	*			trans	-71.3	108	172.8	-78.2	-173.3	148.9	0	0	111.1
305	R	36	Very low	44.2	Very low	223 Å²	223	171.8 Å²	171.8	84%	0.842	79%	0.794	S	S	*	*			trans	-125	125.2	157.3	-74.6	-169.7	-179.7	-163.8	1.5	110.9	E303 S307	E303-R305 PolarHBondContact O-N 3.05Å; R305-S307 PolarHBondContact O-N 3.03Å; R305-S307 VanDerWaalsContact O-N 3.07Å
306	R	48	Very low	42.9	Very low	265 Å²	265	169 Å²	169	100%	1	79%	0.789	S	S	*	*			trans	-68.8	94.7	170.9	-79.2	178.3	171.2	174.7	-2.3	110.3
307	S	35.7	Very low	41.5	Very low	102 Å²	102	167.2 Å²	167.2	71%	0.713	79%	0.787	S	S	*	*			trans	-151.2	131.4	153	-170.8	0	0	0	0	108.6	R305 D309	R305-S307 PolarHBondContact O-N 3.03Å; R305-S307 VanDerWaalsContact O-N 3.07Å; S307-D309 VanDerWaalsContact C-N 3.28Å; S307-D309 PolarHBondContact O-N 3.39Å
308	K	49.8	Very low	40.4	Very low	201 Å²	201	167.8 Å²	167.8	87%	0.874	79%	0.79	S	S	*	*	S	Bend	trans	-78.7	78.6	176.6	-75.7	-178.6	174.8	-178.7	0	109.1
309	D	43.3	Very low	39.2	Very low	147 Å²	147	169 Å²	169	79%	0.786	80%	0.803	S	S	*	*			trans	-167.2	103	153.3	-87.4	-38.3	0	0	0	106.8	S307 P311	S307-D309 VanDerWaalsContact C-N 3.28Å; S307-D309 PolarHBondContact O-N 3.39Å; D309-P311 WeakPolarHBondContact O-CD 3.48Å
310	V	38.9	Very low	38.2	Very low	133 Å²	133	162 Å²	162	81%	0.806	79%	0.792	S	S	*	*			trans	-82.8	120.3	171.3	178.6	0	0	0	0	106.3	Q312	V310-Q312 PolarHBondContact O-N 3.4Å
311	P	35.9	Very low	37.5	Very low	116 Å²	116	158 Å²	158	75%	0.753	79%	0.79	S	S	*	*			trans	-64.9	109.9	164.5	-11.9	26.8	0	0	0	106.9	D309 R313	D309-P311 WeakPolarHBondContact O-CD 3.48Å; P311-R313 PolarHBondContact O-N 3.48Å
312	Q	41.1	Very low	37.1	Very low	185 Å²	185	158.9 Å²	158.9	86%	0.864	80%	0.795	S	S	*	*			trans	-70.9	82.9	174.6	-162.5	163.1	7.2	0	0	107.5	V310 D314	V310-Q312 PolarHBondContact O-N 3.4Å; Q312-D314 PolarHBondContact O-N 2.94Å
313	R	32.2	Very low	36.8	Very low	231 Å²	231	162.9 Å²	162.9	87%	0.872	81%	0.805	S	S	*	*			trans	-86.7	93.4	171.6	-141.4	-179.6	-171	177.7	2.4	106.6	P311 L315	P311-R313 PolarHBondContact O-N 3.48Å; R313-L315 PolarHBondContact O-N 2.88Å; R313-L315 VanDerWaalsContact O-N 3.11Å
314	D	38.7	Very low	36.2	Very low	122 Å²	122	162.8 Å²	162.8	65%	0.652	81%	0.809	S	S	*	*			trans	18.1	79.7	156.8	-54.8	-28.7	0	0	0	115.4	Q312 E316	Q312-D314 PolarHBondContact O-N 2.94Å; D314-E316 HydrophobicContact CB-CG 4.49Å; D314-E316 PolarHBondContact O-N 3.34Å; D314-E316 VanDerWaalsContact O-N 3.12Å
315	L	33.1	Very low	35.8	Very low	157 Å²	157	157 Å²	157	82%	0.822	80%	0.802	S	S	*	*			trans	-68.7	81.3	139.8	-82.2	152.2	0	0	0	106.3	R313 L317	R313-L315 PolarHBondContact O-N 2.88Å; R313-L315 VanDerWaalsContact O-N 3.11Å; L315-L317 PolarHBondContact O-N 2.97Å
316	E	34.8	Very low	36.3	Very low	126 Å²	126	149.1 Å²	149.1	59%	0.589	79%	0.79	S	S	*	*			trans	-66.3	84.3	155.9	-81.9	175.1	174.9	0	0	106	R230 D314 D318	R230-E316 IonicContact CZ-OE1 3.64Å; R230-E316 VanDerWaalsContact CZ-OE1 3.28Å; R230-E316 IonicContact NH1-OE1 2.69Å; R230-E316 PolarHBondContact NH1-OE1 3.1Å; R230-E316 IonicContact NH1-OE2 3.49Å; R230-E316 IonicContact NH2-OE1 3.67Å; R230-E316 PolarHBondContact NH2-OE1 3.43Å; R230-E316 IonicContact NH2-OE2 3.54Å; D314-E316 HydrophobicContact CB-CG 4.49Å; D314-E316 PolarHBondContact O-N 3.34Å; D314-E316 VanDerWaalsContact O-N 3.12Å; E316-D318 PolarHBondContact O-N 2.8Å
317	L	31	Very low	35.9	Very low	144 Å²	144	145 Å²	145	75%	0.754	78%	0.782	S	S	*	*			trans	-63.3	91	155.2	-79.1	154	0	0	0	105.8	L315 E319	L315-L317 PolarHBondContact O-N 2.97Å; L317-E319 PolarHBondContact O-N 2.69Å; L317-E319 VanDerWaalsContact O-N 3.08Å
318	D	30.3	Very low	36.2	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	78%	0.777	S	S	*	*			trans	-56	110.8	148.6	-88.9	-27.2	0	0	0	105.3	E316 A320	E316-D318 PolarHBondContact O-N 2.8Å; D318-A320 PolarHBondContact O-N 3.42Å
319	E	29.2	Very low	36.4	Very low	192 Å²	192	138.6 Å²	138.6	90%	0.897	75%	0.754	S	S	*	*			trans	-64.2	73.8	168.1	-75.1	-175.9	156.1	0	0	108.6	L317	L317-E319 PolarHBondContact O-N 2.69Å; L317-E319 VanDerWaalsContact O-N 3.08Å
320	A	27.7	Very low	36.8	Very low	79 Å²	79	140.8 Å²	140.8	65%	0.653	75%	0.752	S	S	*	*			trans	-65.4	134.5	152.2	0	0	0	0	0	106.8	D318 M322	D318-A320 PolarHBondContact O-N 3.42Å; A320-M322 PolarHBondContact O-N 2.69Å
321	P	31.5	Very low	37.3	Very low	115 Å²	115	141.1 Å²	141.1	75%	0.747	74%	0.739	S	S	*	*			trans	-57.6	134.8	179.8	23.6	-31	0	0	0	109.2	E323	P321-E323 PolarHBondContact O-N 3.18Å
322	M	30.6	Very low	38	Very low	181 Å²	181	140.8 Å²	140.8	89%	0.892	73%	0.727	S	S	*	*			trans	-50.1	97.8	176.2	-170.4	176.8	-73.8	0	0	109.9	A320 L324	A320-M322 PolarHBondContact O-N 2.69Å; M322-L324 PolarHBondContact O-N 2.72Å; M322-L324 VanDerWaalsContact O-N 3.08Å
323	E	34.1	Very low	38.4	Very low	188 Å²	188	137.3 Å²	137.3	88%	0.879	71%	0.711	S	S	*	*			trans	-65.6	108.2	171.7	-82.1	-175.8	163.1	0	0	108.2	P321 G325	P321-E323 PolarHBondContact O-N 3.18Å; E323-G325 PolarHBondContact O-N 2.69Å
324	L	32.2	Very low	39.2	Very low	165 Å²	165	132.6 Å²	132.6	86%	0.864	70%	0.699	S	S	*	*			trans	-54.1	127.7	161.6	-100.5	83.1	0	0	0	108.1	M322	M322-L324 PolarHBondContact O-N 2.72Å; M322-L324 VanDerWaalsContact O-N 3.08Å
325	G	36.7	Very low	39.5	Very low	76 Å²	76	135 Å²	135	78%	0.784	70%	0.698	S	S	*	*			trans	-75.1	-179.9	-164.9	0	0	0	0	0	116.8	E323	E323-G325 PolarHBondContact O-N 2.69Å
326	G	46.5	Very low	40	Very low	57 Å²	57	133.5 Å²	133.5	59%	0.588	69%	0.69	S	S	*	*	S	Bend	trans	120.8	152.4	158.6	0	0	0	0	0	114.3	Q328 G329	G326-Q328 PolarHBondContact O-N 3.09Å; G326-G329 PolarHBondContact O-N 2.89Å
327	E	40.7	Very low	40.5	Very low	180 Å²	180	133.7 Å²	133.7	84%	0.841	69%	0.689	S	S	*	*	H	α-helix	trans	-44.9	-21.1	176	-72.2	175.7	138.7	0	0	114.5	R330 W331	E327-R330 PolarHBondContact O-N 3.38Å; E327-W331 WeakPolarHBondContact O-CB 3.35Å; E327-W331 PolarHBondContact O-N 2.71Å
328	Q	42.2	Very low	41	Very low	128 Å²	128	131.7 Å²	131.7	60%	0.598	68%	0.683	S	S	*	*	H	α-helix	trans	-56.6	-45.2	173.4	-156.9	94.2	10.4	0	0	113.5	G326 R330 W331 E332	G326-Q328 PolarHBondContact O-N 3.09Å; Q328-R330 PolarHBondContact O-N 3.45Å; Q328-W331 WeakPolarHBondContact O-CB 3.33Å; Q328-W331 PolarHBondContact O-N 3.3Å; Q328-E332 WeakPolarHBondContact O-CG 3.4Å; Q328-E332 PolarHBondContact O-N 2.85Å
329	G	54	Low	41.4	Very low	39 Å²	39	128.5 Å²	128.5	40%	0.402	68%	0.678	S	S	.	*	H	α-helix	trans	-69.4	-34.5	-179	0	0	0	0	0	112.6	G326 E332 E333	G326-G329 PolarHBondContact O-N 2.89Å; G329-E332 PolarHBondContact O-N 2.95Å; G329-E333 PolarHBondContact O-N 3.47Å
330	R	50.7	Low	41.9	Very low	194 Å²	194	123.6 Å²	123.6	73%	0.732	67%	0.665	S	S	*	*	H	α-helix	trans	-69.9	-35.5	172.9	-69.8	-175.6	176	-175.1	-1.4	112	E327 Q328 E334	E327-R330 PolarHBondContact O-N 3.38Å; Q328-R330 PolarHBondContact O-N 3.45Å; R330-E334 WeakPolarHBondContact O-CB 3.43Å; R330-E334 PolarHBondContact O-N 3.38Å
331	W	51.2	Low	42.3	Very low	140 Å²	140	126.6 Å²	126.6	53%	0.53	67%	0.669	S	S	.	*	H	α-helix	trans	-68.4	-36	174.5	-174	73.8	0	0	0	112.5	E327 Q328 R335	E327-W331 WeakPolarHBondContact O-CB 3.35Å; E327-W331 PolarHBondContact O-N 2.71Å; Q328-W331 WeakPolarHBondContact O-CB 3.33Å; Q328-W331 PolarHBondContact O-N 3.3Å; W331-R335 PolarHBondContact O-N 2.91Å; W331-R335 VanDerWaalsContact O-N 3.09Å
332	E	49	Very low	42.4	Very low	108 Å²	108	126.2 Å²	126.2	51%	0.505	67%	0.669	S	S	.	*	H	α-helix	trans	-70.1	-41.3	173.5	-74.6	178.3	179.6	0	0	112.1	Q328 G329 R335 L336	Q328-E332 WeakPolarHBondContact O-CG 3.4Å; Q328-E332 PolarHBondContact O-N 2.85Å; G329-E332 PolarHBondContact O-N 2.95Å; E332-R335 PolarHBondContact O-N 2.89Å; E332-L336 WeakPolarHBondContact O-CB 3.48Å; E332-L336 PolarHBondContact O-N 3.44Å
333	E	50.4	Low	42.7	Very low	113 Å²	113	127 Å²	127	53%	0.528	67%	0.668	S	S	.	*	H	α-helix	trans	-63	-40.8	172.7	-96.5	-163.6	134	0	0	113	G329 R335 L336 K337	G329-E333 PolarHBondContact O-N 3.47Å; E333-R335 VanDerWaalsContact C-N 3.34Å; E333-L336 PolarHBondContact O-N 3.42Å; E333-K337 WeakPolarHBondContact O-CB 3.33Å; E333-K337 WeakPolarHBondContact O-CG 3.22Å; E333-K337 PolarHBondContact O-N 2.9Å
334	E	48.7	Very low	42.9	Very low	132 Å²	132	122.2 Å²	122.2	62%	0.617	67%	0.669	S	S	*	*	H	α-helix	trans	-66.3	-36.2	175.5	-85.1	-174.6	158	0	0	111.8	R330 K337 T338	R330-E334 WeakPolarHBondContact O-CB 3.43Å; R330-E334 PolarHBondContact O-N 3.38Å; E334-K337 PolarHBondContact O-N 2.81Å; E334-T338 WeakPolarHBondContact O-CB 3.4Å; E334-T338 PolarHBondContact O-N 2.79Å; E334-T338 PolarHBondContact O-OG1 3.44Å
335	R	45.6	Very low	43.5	Very low	171 Å²	171	116.9 Å²	116.9	65%	0.645	65%	0.649	S	S	*	*	H	α-helix	trans	-69.1	-37	172.5	-87.7	-155.9	161.5	-156	-2.4	113	W331 E332 E333 T338 A339	W331-R335 PolarHBondContact O-N 2.91Å; W331-R335 VanDerWaalsContact O-N 3.09Å; E332-R335 PolarHBondContact O-N 2.89Å; E333-R335 VanDerWaalsContact C-N 3.34Å; R335-T338 PolarHBondContact O-N 3.33Å; R335-A339 WeakPolarHBondContact O-CB 3.31Å; R335-A339 PolarHBondContact O-N 2.82Å
336	L	43.2	Very low	43.9	Very low	126 Å²	126	123.3 Å²	123.3	66%	0.66	65%	0.649	S	S	*	*	H	α-helix	trans	-64.6	-41.7	173	-99.6	148.4	0	0	0	111.9	E332 E333 A339 S340	E332-L336 WeakPolarHBondContact O-CB 3.48Å; E332-L336 PolarHBondContact O-N 3.44Å; E333-L336 PolarHBondContact O-N 3.42Å; L336-A339 PolarHBondContact O-N 3.38Å; L336-S340 PolarHBondContact O-N 2.77Å
337	K	44.5	Very low	43.7	Very low	130 Å²	130	129.2 Å²	129.2	57%	0.565	66%	0.659	S	S	*	*	H	α-helix	trans	-65.1	-39.8	173.2	-78.3	173.6	-179.3	164.6	0	112	E333 E334 A339 S340	E333-K337 WeakPolarHBondContact O-CB 3.33Å; E333-K337 WeakPolarHBondContact O-CG 3.22Å; E333-K337 PolarHBondContact O-N 2.9Å; E334-K337 PolarHBondContact O-N 2.81Å; K337-A339 VanDerWaalsContact C-N 3.33Å; K337-A339 PolarHBondContact O-N 3.5Å; K337-S340 PolarHBondContact O-N 3.34Å; K337-S340 PolarHBondContact O-OG 2.82Å
338	T	42.4	Very low	43.7	Very low	102 Å²	102	128.3 Å²	128.3	63%	0.626	66%	0.655	S	S	*	*	H	α-helix	trans	-68.5	-32.3	175.7	-48.8	0	0	0	0	111.9	E334 R335 S340	E334-T338 WeakPolarHBondContact O-CB 3.4Å; E334-T338 PolarHBondContact O-N 2.79Å; E334-T338 PolarHBondContact O-OG1 3.44Å; R335-T338 PolarHBondContact O-N 3.33Å; T338-S340 VanDerWaalsContact C-N 3.33Å
339	A	39.2	Very low	43.9	Very low	83 Å²	83	131.3 Å²	131.3	69%	0.686	66%	0.66	S	S	*	*	H	α-helix	trans	-73.8	-21	174.1	0	0	0	0	0	113.6	R335 L336 K337	R335-A339 WeakPolarHBondContact O-CB 3.31Å; R335-A339 PolarHBondContact O-N 2.82Å; L336-A339 PolarHBondContact O-N 3.38Å; K337-A339 VanDerWaalsContact C-N 3.33Å; K337-A339 PolarHBondContact O-N 3.5Å
340	S	38.3	Very low	43.6	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-10.1	-179.4	73.2	0	0	0	0	115	L336 K337 T338 S342	L336-S340 PolarHBondContact O-N 2.77Å; K337-S340 PolarHBondContact O-N 3.34Å; K337-S340 PolarHBondContact O-OG 2.82Å; T338-S340 VanDerWaalsContact C-N 3.33Å; S340-S342 PolarHBondContact O-N 2.87Å; S340-S342 VanDerWaalsContact O-N 3.08Å
341	L	36.1	Very low	43.3	Very low	141 Å²	141	132 Å²	132	74%	0.738	67%	0.665	S	S	*	*			trans	-80.3	86.8	173.4	-78.1	162.5	0	0	0	110.3
342	S	34.7	Very low	43.1	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	65%	0.654	S	S	*	*			trans	-107.1	116.7	169.5	102.9	0	0	0	0	110.4	S340	S340-S342 PolarHBondContact O-N 2.87Å; S340-S342 VanDerWaalsContact O-N 3.08Å
343	F	35.5	Very low	43.1	Very low	197 Å²	197	125.7 Å²	125.7	86%	0.864	65%	0.652	S	S	*	*			trans	-73	131.1	169.2	-89.3	-94.2	0	0	0	110.9	A345	F343-A345 PolarHBondContact O-N 3.36Å
344	G	39.7	Very low	42.9	Very low	87 Å²	87	127.7 Å²	127.7	90%	0.897	66%	0.658	S	S	*	*	S	Bend	trans	54.5	-12.7	137.5	0	0	0	0	0	122.8
345	A	44.6	Very low	42.5	Very low	53 Å²	53	127 Å²	127	44%	0.438	66%	0.658	S	S	.	*			trans	-107.5	37.8	-165.1	0	0	0	0	0	113.5	F343 R349	F343-A345 PolarHBondContact O-N 3.36Å; A345-R349 WeakPolarHBondContact O-CB 3.3Å
346	R	44.4	Very low	42.4	Very low	211 Å²	211	123.1 Å²	123.1	80%	0.796	65%	0.647	S	S	*	*	H	α-helix	trans	-87	-35.2	-178.6	-146.8	174.6	-177.4	175.9	0.5	112.8	E350	R346-E350 PolarHBondContact O-N 2.94Å
347	K	42.7	Very low	42.4	Very low	181 Å²	181	123.4 Å²	123.4	79%	0.787	65%	0.645	S	S	*	*	H	α-helix	trans	-74	-36.3	179.1	-86.6	-179.8	174	176.3	0	114	L351	K347-L351 PolarHBondContact O-N 3.27Å
348	E	40.8	Very low	42.3	Very low	162 Å²	162	123.7 Å²	123.7	76%	0.757	65%	0.653	S	S	*	*	H	α-helix	trans	-72.8	-30.1	174.9	-82.5	-179.4	151	0	0	112.4	L351 G352	E348-L351 PolarHBondContact O-N 3Å; E348-G352 PolarHBondContact O-N 2.89Å
349	R	45.8	Very low	42	Very low	190 Å²	190	127.8 Å²	127.8	72%	0.717	66%	0.657	S	S	*	*	H	α-helix	trans	-74.5	-35.8	179.2	-147.1	175.5	-168.2	152.2	0.4	112.5	A345 L351 G352 L353	A345-R349 WeakPolarHBondContact O-CB 3.3Å; R349-L351 VanDerWaalsContact C-N 3.34Å; R349-G352 PolarHBondContact O-N 2.89Å; R349-L353 VanDerWaalsContact O-CB 3.31Å; R349-L353 WeakPolarHBondContact O-CB 3.33Å; R349-L353 WeakPolarHBondContact O-CD1 3.29Å; R349-L353 WeakPolarHBondContact O-CG 3.34Å; R349-L353 PolarHBondContact O-N 2.95Å
350	E	47.9	Very low	42.2	Very low	128 Å²	128	128.2 Å²	128.2	60%	0.598	64%	0.642	S	S	*	*	H	α-helix	trans	-65.7	-36.6	171.7	-86	-178.2	151	0	0	112.6	R346 K354	R346-E350 PolarHBondContact O-N 2.94Å; E350-K354 PolarHBondContact O-N 2.82Å
351	L	44.8	Very low	42.3	Very low	121 Å²	121	132.3 Å²	132.3	63%	0.634	65%	0.651	S	S	*	*	H	α-helix	trans	-71.1	-37.4	174.7	-121.7	131.9	0	0	0	111.5	K347 E348 R349 L355	K347-L351 PolarHBondContact O-N 3.27Å; E348-L351 PolarHBondContact O-N 3Å; R349-L351 VanDerWaalsContact C-N 3.34Å; L351-L355 PolarHBondContact O-N 3.44Å
352	G	47.5	Very low	42.5	Very low	30 Å²	30	132 Å²	132	31%	0.309	65%	0.65	S	S	.	*	H	α-helix	trans	-66.3	-38.4	171.6	0	0	0	0	0	113.7	E348 R349 L355 E356	E348-G352 PolarHBondContact O-N 2.89Å; R349-G352 PolarHBondContact O-N 2.89Å; G352-L355 CarbonylContact O-C 3.47Å; G352-L355 PolarHBondContact O-N 3.36Å; G352-E356 PolarHBondContact O-N 2.49Å
353	L	48.5	Very low	42.9	Very low	85 Å²	85	130.7 Å²	130.7	45%	0.445	64%	0.637	S	S	.	*	H	α-helix	trans	-67.7	-35.3	177.5	-86.9	155.4	0	0	0	112.7	R349 E356 Q357	R349-L353 VanDerWaalsContact O-CB 3.31Å; R349-L353 WeakPolarHBondContact O-CB 3.33Å; R349-L353 WeakPolarHBondContact O-CD1 3.29Å; R349-L353 WeakPolarHBondContact O-CG 3.34Å; R349-L353 PolarHBondContact O-N 2.95Å; L353-E356 PolarHBondContact O-N 3.02Å; L353-Q357 WeakPolarHBondContact O-CG 3.42Å; L353-Q357 PolarHBondContact O-N 3.32Å
354	K	46.1	Very low	43	Very low	154 Å²	154	124.3 Å²	124.3	67%	0.67	61%	0.611	S	S	*	*	H	α-helix	trans	-67	-36.3	171.2	-82	-178	175.5	177.6	0	112.4	E350 Q357	E350-K354 PolarHBondContact O-N 2.82Å; K354-Q357 PolarHBondContact O-N 2.98Å
355	L	40.8	Very low	43.1	Very low	117 Å²	117	126.4 Å²	126.4	61%	0.613	60%	0.598	S	S	*	*	H	α-helix	trans	-75.2	-26.6	175.2	-85.9	154.8	0	0	0	112.9	L351 G352	L351-L355 PolarHBondContact O-N 3.44Å; G352-L355 CarbonylContact O-C 3.47Å; G352-L355 PolarHBondContact O-N 3.36Å
356	E	43.1	Very low	43.1	Very low	90 Å²	90	132 Å²	132	42%	0.421	62%	0.615	S	S	.	*	H	α-helix	trans	-79.6	-26.8	170.8	-77.5	-171.5	144.3	0	0	112.9	G352 L353 D358 R359 Y360	G352-E356 PolarHBondContact O-N 2.49Å; L353-E356 PolarHBondContact O-N 3.02Å; E356-D358 VanDerWaalsContact C-N 3.26Å; E356-D358 PolarHBondContact O-N 2.77Å; E356-R359 CarbonylContact O-C 3.48Å; E356-R359 WeakPolarHBondContact O-CA 3.25Å; E356-R359 WeakPolarHBondContact O-CB 3.33Å; E356-R359 PolarHBondContact O-N 3.39Å; E356-Y360 HydrophobicContact CB-CD2 4.32Å; E356-Y360 HydrophobicContact CB-CE2 3.6Å; E356-Y360 WeakPolarHBondContact O-CD2 3.31Å; E356-Y360 WeakPolarHBondContact O-CE2 3.39Å; E356-Y360 PolarHBondContact O-N 3.23Å; E356-Y360 PolarHBondContact OE2-OH 2.7Å
357	Q	44	Very low	43.1	Very low	132 Å²	132	130.8 Å²	130.8	62%	0.617	62%	0.618	S	S	*	*	H	α-helix	trans	-54.8	-37.6	169.6	-85.2	176.9	-15.5	0	0	113.8	L353 K354 R359 Y360	L353-Q357 WeakPolarHBondContact O-CG 3.42Å; L353-Q357 PolarHBondContact O-N 3.32Å; K354-Q357 PolarHBondContact O-N 2.98Å; Q357-R359 VanDerWaalsContact C-N 3.25Å; Q357-R359 PolarHBondContact O-N 2.83Å; Q357-Y360 HydrophobicContact CG-CD2 4.32Å; Q357-Y360 PolarHBondContact O-N 3.38Å
358	D	42.3	Very low	43.2	Very low	136 Å²	136	127.7 Å²	127.7	73%	0.727	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-13.2	173.5	-69.4	-19.9	0	0	0	113.3	E356	E356-D358 VanDerWaalsContact C-N 3.26Å; E356-D358 PolarHBondContact O-N 2.77Å
359	R	35.3	Very low	44	Very low	189 Å²	189	123 Å²	123	71%	0.713	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-19.2	172.3	-83.3	-178.3	163.2	-174.9	-3.9	113.8	E356 Q357 Q361 L362	E356-R359 CarbonylContact O-C 3.48Å; E356-R359 WeakPolarHBondContact O-CA 3.25Å; E356-R359 WeakPolarHBondContact O-CB 3.33Å; E356-R359 PolarHBondContact O-N 3.39Å; Q357-R359 VanDerWaalsContact C-N 3.25Å; Q357-R359 PolarHBondContact O-N 2.83Å; R359-Q361 PolarHBondContact O-N 3.07Å; R359-L362 PolarHBondContact O-N 2.96Å
360	Y	44	Very low	44.9	Very low	92 Å²	92	114.9 Å²	114.9	36%	0.361	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-73.2	0.5	-177.5	-74.3	-59.8	0	0	0	114.7	E356 Q357 L362 V363	E356-Y360 HydrophobicContact CB-CD2 4.32Å; E356-Y360 HydrophobicContact CB-CE2 3.6Å; E356-Y360 WeakPolarHBondContact O-CD2 3.31Å; E356-Y360 WeakPolarHBondContact O-CE2 3.39Å; E356-Y360 PolarHBondContact O-N 3.23Å; E356-Y360 PolarHBondContact OE2-OH 2.7Å; Q357-Y360 HydrophobicContact CG-CD2 4.32Å; Q357-Y360 PolarHBondContact O-N 3.38Å; Y360-L362 PolarHBondContact O-N 2.87Å; Y360-V363 HydrophobicContact CD1-CG2 4.21Å
361	Q	39.9	Very low	45.7	Very low	174 Å²	174	113.4 Å²	113.4	81%	0.813	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-71.2	-7.8	170.9	-151	160.5	12.9	0	0	113.3	R359	R359-Q361 PolarHBondContact O-N 3.07Å
362	L	41.3	Very low	46.9	Very low	136 Å²	136	109.4 Å²	109.4	71%	0.712	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-116.5	15.5	-169.1	-71.7	163.7	0	0	0	115.3	R359 Y360	R359-L362 PolarHBondContact O-N 2.96Å; Y360-L362 PolarHBondContact O-N 2.87Å
363	V	42.9	Very low	48	Very low	79 Å²	79	110.6 Å²	110.6	48%	0.479	53%	0.531	S	S	.	.	S	Bend	trans	-97.7	-13	-175.1	-178.4	0	0	0	0	113.7	Y360	Y360-V363 HydrophobicContact CD1-CG2 4.21Å
364	L	37.7	Very low	48.2	Very low	63 Å²	63	110.8 Å²	110.8	33%	0.33	54%	0.539	S	S	.	.	S	Bend	trans	-102.1	129.7	165.3	-67.5	162.7	0	0	0	106.2	E366 M369	L364-E366 PolarHBondContact O-N 3.13Å; L364-M369 HydrophobicContact CB-CG 3.9Å; L364-M369 HydrophobicContact CB-SD 4.06Å; L364-M369 HydrophobicContact CD1-CG 4.34Å; L364-M369 HydrophobicContact CD1-SD 3.36Å; L364-M369 WeakPolarHBondContact CD1-SD 3.32Å; L364-M369 HydrophobicContact CG-SD 4.3Å
365	E	41.4	Very low	48.2	Very low	132 Å²	132	106 Å²	106	62%	0.617	52%	0.523	S	S	*	.			trans	-54.7	130.4	169.6	-69.7	-179.6	174.6	0	0	107	E367 E368	E365-E367 PolarHBondContact O-N 3.07Å; E365-E368 HydrophobicContact CB-CG 4.38Å; E365-E368 PolarHBondContact O-N 3.22Å
366	E	43.5	Very low	48.2	Very low	171 Å²	171	105.2 Å²	105.2	80%	0.799	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21	-179.4	-71.1	-179.5	163.5	0	0	111.8	L364	L364-E366 PolarHBondContact O-N 3.13Å
367	E	45	Very low	48.8	Very low	184 Å²	184	104.1 Å²	104.1	86%	0.86	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.9	175.1	-63.8	-173.9	171.1	0	0	114.5	E365	E365-E367 PolarHBondContact O-N 3.07Å
368	E	45.8	Very low	49.5	Very low	117 Å²	117	101.5 Å²	101.5	55%	0.547	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.7	179.9	-66.8	-171	159.7	0	0	113.5	E365 V608	E365-E368 HydrophobicContact CB-CG 4.38Å; E365-E368 PolarHBondContact O-N 3.22Å; E368-V608 WeakPolarHBondContact O-CG1 3.49Å
369	M	55.9	Low	50.1	Low	62 Å²	62	96.4 Å²	96.4	31%	0.305	50%	0.495	S	S	.	.	S	Bend	trans	-83.4	128.7	-179.6	-75.7	-82.8	-81.5	0	0	111	L364 D371 Q612	L364-M369 HydrophobicContact CB-CG 3.9Å; L364-M369 HydrophobicContact CB-SD 4.06Å; L364-M369 HydrophobicContact CD1-CG 4.34Å; L364-M369 HydrophobicContact CD1-SD 3.36Å; L364-M369 WeakPolarHBondContact CD1-SD 3.32Å; L364-M369 HydrophobicContact CG-SD 4.3Å; M369-D371 PolarHBondContact O-N 3.18Å; M369-Q612 HydrophobicContact CE-CG 3.9Å; M369-Q612 VanDerWaalsContact CE-NE2 3.34Å; M369-Q612 HydrophobicContact SD-CB 4.42Å; M369-Q612 HydrophobicContact SD-CG 3.83Å
370	I	65.4	Low	51	Low	20 Å²	20	96.7 Å²	96.7	10%	0.103	50%	0.501	C	S	.	.			trans	-77.6	118.2	175.6	-61.3	170.4	0	0	0	109.1	F372 T595 A605 V608	I370-F372 HydrophobicContact CB-CE2 3.98Å; I370-F372 HydrophobicContact CB-CZ 4.19Å; I370-F372 HydrophobicContact CG2-CD2 4.36Å; I370-F372 HydrophobicContact CG2-CE1 4.13Å; I370-F372 HydrophobicContact CG2-CE2 3.87Å; I370-F372 HydrophobicContact CG2-CZ 3.74Å; I370-F372 VanDerWaalsContact O-CD2 3.28Å; I370-F372 WeakPolarHBondContact O-CD2 3.46Å; I370-F372 PolarHBondContact O-N 2.95Å; I370-T595 HydrophobicContact CG2-CG2 3.86Å; I370-A605 HydrophobicContact CD1-CB 3.6Å; I370-A605 WeakPolarHBondContact CD1-O 3.4Å; I370-V608 HydrophobicContact CD1-CB 4.23Å; I370-V608 HydrophobicContact CD1-CG1 4.19Å; I370-V608 HydrophobicContact CG1-CG1 4.21Å
371	D	64.9	Low	51.2	Low	97 Å²	97	93.4 Å²	93.4	52%	0.519	50%	0.495	S	S	.	.			trans	-76.3	106.3	175.9	-91.9	-16	0	0	0	111.3	M369 K596	M369-D371 PolarHBondContact O-N 3.18Å; D371-K596 HydrophobicContact CB-CD 3.69Å; D371-K596 HydrophobicContact CB-CG 4.34Å; D371-K596 VanDerWaalsContact CG-NZ 3.32Å; D371-K596 PolarHBondContact O-N 3.1Å; D371-K596 IonicContact OD2-NZ 3.68Å; D371-K596 PolarHBondContact OD2-NZ 3.37Å
372	F	70.6	Confident	51.7	Low	37 Å²	37	89.3 Å²	89.3	16%	0.162	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.3	172.9	-67.3	-77.4	0	0	0	111.7	I370 F593 Y594 T595 F746 L748	I370-F372 HydrophobicContact CB-CE2 3.98Å; I370-F372 HydrophobicContact CB-CZ 4.19Å; I370-F372 HydrophobicContact CG2-CD2 4.36Å; I370-F372 HydrophobicContact CG2-CE1 4.13Å; I370-F372 HydrophobicContact CG2-CE2 3.87Å; I370-F372 HydrophobicContact CG2-CZ 3.74Å; I370-F372 VanDerWaalsContact O-CD2 3.28Å; I370-F372 WeakPolarHBondContact O-CD2 3.46Å; I370-F372 PolarHBondContact O-N 2.95Å; F372-F593 HydrophobicContact CB-CB 4.09Å; F372-F593 HydrophobicContact CB-CD1 4.36Å; F372-F593 HydrophobicContact CD1-CB 4.1Å; F372-F593 HydrophobicContact CG-CB 4.28Å; F372-Y594 CarbonylContact C-O 3.56Å; F372-Y594 WeakPolarHBondContact CA-O 3.44Å; F372-T595 HydrophobicContact CD1-CG2 4.23Å; F372-T595 HydrophobicContact CE1-CG2 3.83Å; F372-F746 HydrophobicContact CD1-CD1 4.15Å; F372-F746 HydrophobicContact CD2-CD1 4.05Å; F372-F746 HydrophobicContact CD2-CE1 4.41Å; F372-F746 HydrophobicContact CE1-CB 4.13Å; F372-F746 HydrophobicContact CE1-CD1 4.12Å; F372-F746 HydrophobicContact CE2-CD1 4.02Å; F372-F746 HydrophobicContact CG-CD1 4.12Å; F372-F746 HydrophobicContact CZ-CB 4.27Å; F372-F746 HydrophobicContact CZ-CD1 4.06Å; F372-L748 HydrophobicContact CE1-CD2 4.01Å; F372-L748 HydrophobicContact CZ-CD2 3.97Å
373	V	70.3	Confident	52	Low	56 Å²	56	89 Å²	89	34%	0.339	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.7	169.5	-169.7	0	0	0	0	109	T375 Y594 K596	V373-T375 VanDerWaalsContact C-N 3.27Å; V373-T375 HydrophobicContact CG1-CG2 4.01Å; V373-T375 PolarHBondContact O-N 3.46Å; V373-Y594 PolarHBondContact N-O 3.41Å; V373-Y594 PolarHBondContact O-N 3.36Å; V373-K596 HydrophobicContact CG2-CB 4.26Å; V373-K596 HydrophobicContact CG2-CD 4.26Å; V373-K596 HydrophobicContact CG2-CG 3.23Å
374	S	52.4	Low	51.7	Low	89 Å²	89	88.5 Å²	88.5	62%	0.622	47%	0.472	S	S	*	.			trans	-75.6	82	164.8	52.9	0	0	0	0	109.3	A376	S374-A376 PolarHBondContact O-N 3.4Å
375	T	46.3	Very low	51.9	Low	53 Å²	53	91.7 Å²	91.7	33%	0.325	49%	0.489	S	S	.	.			trans	-77.7	109.1	159	47.9	0	0	0	0	105.8	V373 I377 Y594	V373-T375 VanDerWaalsContact C-N 3.27Å; V373-T375 HydrophobicContact CG1-CG2 4.01Å; V373-T375 PolarHBondContact O-N 3.46Å; T375-I377 PolarHBondContact O-N 3.4Å; T375-Y594 WeakPolarHBondContact OG1-CD2 3.23Å
376	A	41.3	Very low	51.8	Low	100 Å²	100	94.7 Å²	94.7	83%	0.826	50%	0.5	S	S	*	.			trans	-61.9	75.7	-173.8	0	0	0	0	0	112.3	S374	S374-A376 PolarHBondContact O-N 3.4Å
377	I	55.6	Low	51.8	Low	68 Å²	68	91.6 Å²	91.6	35%	0.349	49%	0.489	S	S	.	.			trans	-111.5	80.3	168.5	-55.1	175.9	0	0	0	105.2	T375 I592	T375-I377 PolarHBondContact O-N 3.4Å; I377-I592 HydrophobicContact CG2-CD1 4.31Å
378	T	58.3	Low	51.7	Low	76 Å²	76	91 Å²	91	47%	0.466	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.9	170.2	-1.8	0	0	0	0	108.3	K380 D591	T378-K380 PolarHBondContact O-N 3.04Å; T378-D591 WeakPolarHBondContact CG2-OD1 3.47Å
379	M	55.3	Low	51.2	Low	29 Å²	29	89.9 Å²	89.9	14%	0.143	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	113.9	165.7	-64.7	-160.2	-165.3	0	0	107.7	G381 R586 P589 V590 I592 N731 A734	M379-G381 PolarHBondContact O-N 2.86Å; M379-R586 PolarHBondContact SD-NH1 3.11Å; M379-P589 VanDerWaalsContact O-CA 3.28Å; M379-P589 WeakPolarHBondContact O-CA 3.32Å; M379-P589 WeakPolarHBondContact O-CB 3.43Å; M379-V590 PolarHBondContact N-O 3.07Å; M379-V590 PolarHBondContact O-N 3.45Å; M379-I592 HydrophobicContact CE-CD1 3.39Å; M379-I592 HydrophobicContact CE-CG1 4.21Å; M379-I592 HydrophobicContact CG-CD1 3.88Å; M379-I592 HydrophobicContact CG-CG1 4.39Å; M379-I592 HydrophobicContact SD-CD1 4.47Å; M379-N731 HydrophobicContact CE-CB 4.25Å; M379-A734 HydrophobicContact CE-CB 3.57Å; M379-A734 HydrophobicContact SD-CB 4.45Å
380	K	53	Low	50.2	Low	195 Å²	195	94.8 Å²	94.8	85%	0.848	52%	0.519	S	S	*	.			trans	-63	127.6	-178.1	-67.4	-176.5	177.5	-179.2	0	110.6	T378	T378-K380 PolarHBondContact O-N 3.04Å
381	G	49.4	Very low	48.9	Very low	23 Å²	23	99.5 Å²	99.5	24%	0.237	55%	0.551	C	S	.	*			trans	-90.5	169.2	168.8	0	0	0	0	0	112.1	M379	M379-G381 PolarHBondContact O-N 2.86Å
382	T	50.3	Low	47.7	Very low	89 Å²	89	99.9 Å²	99.9	55%	0.546	57%	0.568	S	S	.	*	S	Bend	trans	-77.5	-23	176.1	61.6	0	0	0	0	113.9	P584 R586	T382-P584 HydrophobicContact CG2-CB 4.34Å; T382-R586 WeakPolarHBondContact CB-O 3.16Å; T382-R586 VanDerWaalsContact CG2-O 3.3Å; T382-R586 WeakPolarHBondContact CG2-O 3.2Å; T382-R586 PolarHBondContact N-O 2.77Å; T382-R586 PolarHBondContact OG1-O 2.95Å
383	R	47.2	Very low	46.2	Very low	129 Å²	129	102.4 Å²	102.4	49%	0.487	58%	0.582	S	S	.	*	S	Bend	trans	-89.8	130.6	168.9	-74.7	-177.4	149.1	-176.2	-9.6	110.3	R587	R383-R587 WeakPolarHBondContact CB-O 3.3Å
384	S	36	Very low	44.9	Very low	69 Å²	69	103 Å²	103	48%	0.483	59%	0.59	S	S	.	*			trans	-87.1	152.7	173.3	72.4	0	0	0	0	110.4	K386 D387	S384-K386 PolarHBondContact O-N 3.4Å; S384-D387 PolarHBondContact O-N 3.44Å; S384-D387 VanDerWaalsContact O-N 3.08Å
385	D	42.8	Very low	44.5	Very low	130 Å²	130	105.3 Å²	105.3	70%	0.695	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-54.5	-8.8	175.8	-63.2	-25.9	0	0	0	113.9
386	K	38.4	Very low	44.3	Very low	195 Å²	195	105.7 Å²	105.7	85%	0.848	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-88	-6.2	179.2	-67.6	-174.2	176.3	-177.9	0	114.9	S384 E388	S384-K386 PolarHBondContact O-N 3.4Å; K386-E388 VanDerWaalsContact C-N 3.34Å
387	D	43.1	Very low	44.2	Very low	106 Å²	106	105.3 Å²	105.3	57%	0.567	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-93.8	14.2	177.3	-62.8	-43	0	0	0	113.1	S384 A389	S384-D387 PolarHBondContact O-N 3.44Å; S384-D387 VanDerWaalsContact O-N 3.08Å; D387-A389 PolarHBondContact O-N 3.12Å
388	E	43.3	Very low	43.8	Very low	171 Å²	171	106.2 Å²	106.2	80%	0.799	59%	0.585	S	S	*	*			trans	-72.3	85.5	176.7	-71.9	-166.8	158.4	0	0	112.1	K386	K386-E388 VanDerWaalsContact C-N 3.34Å
389	A	35.8	Very low	43.2	Very low	93 Å²	93	111.7 Å²	111.7	77%	0.769	60%	0.602	S	S	*	*			trans	-166.1	43.2	154.1	0	0	0	0	0	113.6	D387	D387-A389 PolarHBondContact O-N 3.12Å
390	E	35.5	Very low	42.5	Very low	165 Å²	165	118.9 Å²	118.9	77%	0.771	63%	0.633	S	S	*	*	S	Bend	trans	-121.1	122	156.4	-75.4	-166.2	168.2	0	0	109.4	A392	E390-A392 PolarHBondContact O-N 3.41Å
391	P	36.4	Very low	42.5	Very low	120 Å²	120	114.8 Å²	114.8	78%	0.779	61%	0.612	S	S	*	*			trans	-60.9	129.2	177.7	24.4	-30.8	0	0	0	109.1	L393	P391-L393 PolarHBondContact O-N 2.86Å
392	A	41.6	Very low	43.2	Very low	104 Å²	104	116.1 Å²	116.1	86%	0.86	62%	0.618	S	S	*	*			trans	-58	112.2	173.3	0	0	0	0	0	109	E390	E390-A392 PolarHBondContact O-N 3.41Å
393	L	38.4	Very low	44	Very low	90 Å²	90	115.4 Å²	115.4	47%	0.471	61%	0.609	S	S	.	*			trans	-59.7	142.4	178.5	-72.1	156.5	0	0	0	110.7	P391 E397	P391-L393 PolarHBondContact O-N 2.86Å; L393-E397 WeakPolarHBondContact CD2-OE2 3.39Å
394	S	43.4	Very low	45	Very low	70 Å²	70	115.5 Å²	115.5	49%	0.49	62%	0.615	S	S	.	*			trans	-66.2	147.8	-177.5	172	0	0	0	0	111.5	A396 E397 L398	S394-A396 PolarHBondContact O-N 3.45Å; S394-E397 PolarHBondContact N-OE2 3.38Å; S394-E397 VanDerWaalsContact N-OE2 3.1Å; S394-E397 WeakPolarHBondContact O-CB 3.19Å; S394-E397 PolarHBondContact O-N 3.44Å; S394-L398 PolarHBondContact O-N 2.74Å
395	Q	43.6	Very low	46.8	Very low	136 Å²	136	116.2 Å²	116.2	64%	0.636	61%	0.611	S	S	*	*	H	α-helix	trans	-55.1	-24.9	177.8	-71.8	-174.9	-5.3	0	0	113.6	E397 K399	Q395-E397 VanDerWaalsContact C-N 3.35Å; Q395-K399 PolarHBondContact O-N 2.97Å
396	A	41.6	Very low	48.2	Very low	62 Å²	62	112.3 Å²	112.3	51%	0.512	59%	0.592	S	S	.	*	H	α-helix	trans	-71.7	-26.7	174.8	0	0	0	0	0	113.3	S394 K400	S394-A396 PolarHBondContact O-N 3.45Å; A396-K400 WeakPolarHBondContact O-CG 3.34Å
397	E	39.1	Very low	50.1	Low	92 Å²	92	105.3 Å²	105.3	43%	0.43	56%	0.56	S	S	.	*	H	α-helix	trans	-84.3	-32.9	177.4	-66.1	171.4	140.2	0	0	111.5	L393 S394 Q395 K400 R401	L393-E397 WeakPolarHBondContact CD2-OE2 3.39Å; S394-E397 PolarHBondContact N-OE2 3.38Å; S394-E397 VanDerWaalsContact N-OE2 3.1Å; S394-E397 WeakPolarHBondContact O-CB 3.19Å; S394-E397 PolarHBondContact O-N 3.44Å; Q395-E397 VanDerWaalsContact C-N 3.35Å; E397-K400 WeakPolarHBondContact O-CB 3.37Å; E397-K400 PolarHBondContact O-N 2.87Å; E397-K400 VanDerWaalsContact O-N 3.09Å; E397-R401 PolarHBondContact O-N 3.44Å
398	L	47.7	Very low	51.9	Low	87 Å²	87	108 Å²	108	46%	0.455	56%	0.562	S	S	.	*	H	α-helix	trans	-64.7	-37	171.7	-77.6	161.3	0	0	0	112.5	S394 K400 R401	S394-L398 PolarHBondContact O-N 2.74Å; L398-K400 PolarHBondContact O-N 2.54Å; L398-R401 PolarHBondContact O-N 3.24Å
399	K	46	Very low	53.6	Low	190 Å²	190	102.7 Å²	102.7	83%	0.826	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.6	171.3	-81.2	-176.5	176.2	179.3	0	113.6	Q395	Q395-K399 PolarHBondContact O-N 2.97Å
400	K	41	Very low	55.8	Low	181 Å²	181	99.6 Å²	99.6	79%	0.787	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.9	175	-78.5	179	177.6	177.9	0	113.3	A396 E397 L398	A396-K400 WeakPolarHBondContact O-CG 3.34Å; E397-K400 WeakPolarHBondContact O-CB 3.37Å; E397-K400 PolarHBondContact O-N 2.87Å; E397-K400 VanDerWaalsContact O-N 3.09Å; L398-K400 PolarHBondContact O-N 2.54Å
401	R	51.3	Low	57.9	Low	108 Å²	108	93.2 Å²	93.2	41%	0.408	49%	0.487	S	S	.	.	S	Bend	trans	-72.9	141.4	175	-71.4	-164	170	172	-3.4	110.4	E397 L398 E405	E397-R401 PolarHBondContact O-N 3.44Å; L398-R401 PolarHBondContact O-N 3.24Å; R401-E405 HydrophobicContact CB-CB 4.17Å; R401-E405 WeakPolarHBondContact CB-OE2 3.35Å; R401-E405 VanDerWaalsContact CD-OE2 3.25Å; R401-E405 WeakPolarHBondContact CD-OE2 3.33Å; R401-E405 WeakPolarHBondContact CG-OE2 3.49Å; R401-E405 IonicContact NE-OE2 3.89Å
402	S	63.8	Low	60.3	Low	51 Å²	51	87.5 Å²	87.5	36%	0.357	45%	0.45	S	S	.	.			trans	-61.1	144.7	173.1	64.8	0	0	0	0	109.9	Q404 E405 V406	S402-Q404 PolarHBondContact O-N 2.99Å; S402-E405 PolarHBondContact N-OE1 3.48Å; S402-E405 WeakPolarHBondContact O-CB 3.27Å; S402-E405 PolarHBondContact O-N 3.41Å; S402-E405 WeakPolarHBondContact OG-CG 3.11Å; S402-E405 PolarHBondContact OG-N 3.47Å; S402-E405 PolarHBondContact OG-OE1 2.82Å; S402-V406 PolarHBondContact O-N 3.46Å
403	M	67.3	Low	62.5	Low	74 Å²	74	85.8 Å²	85.8	37%	0.365	42%	0.423	S	S	.	.	H	α-helix	trans	-51.6	-26.3	175.3	-75.5	-82.9	-81.5	0	0	112.5	R407 R475 E478 E479	M403-R407 PolarHBondContact O-N 3.37Å; M403-R407 VanDerWaalsContact O-N 3.1Å; M403-R475 PolarHBondContact SD-NH2 3.35Å; M403-R475 VanDerWaalsContact SD-NH2 3.43Å; M403-E478 HydrophobicContact CE-CB 4.22Å; M403-E479 HydrophobicContact CE-CB 4.46Å; M403-E479 HydrophobicContact CE-CG 3.61Å
404	Q	69.3	Low	64.8	Low	131 Å²	131	86.1 Å²	86.1	61%	0.612	43%	0.43	S	S	*	.	H	α-helix	trans	-68.9	-35.9	174.6	-66.3	-176.1	-10.8	0	0	113.8	S402 R407 R408	S402-Q404 PolarHBondContact O-N 2.99Å; Q404-R407 WeakPolarHBondContact O-CB 3.18Å; Q404-R407 PolarHBondContact O-N 2.91Å; Q404-R408 WeakPolarHBondContact O-CG 3.48Å; Q404-R408 PolarHBondContact O-N 3.02Å
405	E	74.2	Confident	67	Low	85 Å²	85	86.8 Å²	86.8	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-68.5	-37.9	175.3	-76.2	159.7	-123.7	0	0	111.6	R401 S402 R407 R408 S409	R401-E405 HydrophobicContact CB-CB 4.17Å; R401-E405 WeakPolarHBondContact CB-OE2 3.35Å; R401-E405 VanDerWaalsContact CD-OE2 3.25Å; R401-E405 WeakPolarHBondContact CD-OE2 3.33Å; R401-E405 WeakPolarHBondContact CG-OE2 3.49Å; R401-E405 IonicContact NE-OE2 3.89Å; S402-E405 PolarHBondContact N-OE1 3.48Å; S402-E405 WeakPolarHBondContact O-CB 3.27Å; S402-E405 PolarHBondContact O-N 3.41Å; S402-E405 WeakPolarHBondContact OG-CG 3.11Å; S402-E405 PolarHBondContact OG-N 3.47Å; S402-E405 PolarHBondContact OG-OE1 2.82Å; E405-R407 VanDerWaalsContact C-N 3.34Å; E405-R408 PolarHBondContact O-N 2.97Å; E405-S409 PolarHBondContact O-N 3.25Å; E405-S409 VanDerWaalsContact O-N 3.14Å
406	V	72.4	Confident	69.3	Low	47 Å²	47	83.4 Å²	83.4	29%	0.285	40%	0.404	S	S	.	.	H	α-helix	trans	-62	-45.4	173.4	179.3	0	0	0	0	109.9	S402 R408 S409	S402-V406 PolarHBondContact O-N 3.46Å; V406-R408 VanDerWaalsContact C-N 3.31Å; V406-R408 PolarHBondContact O-N 3.07Å; V406-S409 WeakPolarHBondContact O-CB 3.43Å; V406-S409 PolarHBondContact O-N 3.42Å; V406-S409 VanDerWaalsContact O-N 3.07Å; V406-S409 PolarHBondContact O-OG 2.91Å
407	R	77.9	Confident	71.7	Confident	49 Å²	49	88.1 Å²	88.1	19%	0.185	42%	0.416	C	S	.	.	H	α-helix	trans	-55.4	-43.7	175.9	-168.6	178.4	176.5	-164.4	-6.1	112.4	M403 Q404 E405 S409 L410 E449	M403-R407 PolarHBondContact O-N 3.37Å; M403-R407 VanDerWaalsContact O-N 3.1Å; Q404-R407 WeakPolarHBondContact O-CB 3.18Å; Q404-R407 PolarHBondContact O-N 2.91Å; E405-R407 VanDerWaalsContact C-N 3.34Å; R407-S409 VanDerWaalsContact C-N 3.3Å; R407-S409 PolarHBondContact O-N 2.92Å; R407-L410 PolarHBondContact O-N 2.68Å; R407-E449 IonicContact CZ-OE1 3.17Å; R407-E449 VanDerWaalsContact CZ-OE1 3.32Å; R407-E449 IonicContact NH1-OE1 3.99Å; R407-E449 PolarHBondContact NH1-OE1 2.98Å; R407-E449 IonicContact NH2-OE1 2.93Å; R407-E449 PolarHBondContact NH2-OE1 2.79Å; R407-E449 IonicContact NH2-OE2 3.9Å
408	R	80.5	Confident	74.2	Confident	163 Å²	163	88.3 Å²	88.3	62%	0.615	42%	0.42	S	S	*	.	H	α-helix	trans	-69.5	-23.4	178.3	-71.3	176.7	-178.9	178.9	1.7	113.9	Q404 E405 V406 L410 F413	Q404-R408 WeakPolarHBondContact O-CG 3.48Å; Q404-R408 PolarHBondContact O-N 3.02Å; E405-R408 PolarHBondContact O-N 2.97Å; V406-R408 VanDerWaalsContact C-N 3.31Å; V406-R408 PolarHBondContact O-N 3.07Å; R408-L410 VanDerWaalsContact C-N 3.31Å; R408-F413 HydrophobicContact CG-CD2 4.45Å; R408-F413 HydrophobicContact CG-CE1 4.18Å; R408-F413 HydrophobicContact CG-CE2 3.98Å; R408-F413 HydrophobicContact CG-CZ 3.84Å
409	S	79.8	Confident	76.4	Confident	58 Å²	58	84.2 Å²	84.2	41%	0.406	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-7	178.7	78.2	0	0	0	0	114.3	E405 V406 R407 R587	E405-S409 PolarHBondContact O-N 3.25Å; E405-S409 VanDerWaalsContact O-N 3.14Å; V406-S409 WeakPolarHBondContact O-CB 3.43Å; V406-S409 PolarHBondContact O-N 3.42Å; V406-S409 VanDerWaalsContact O-N 3.07Å; V406-S409 PolarHBondContact O-OG 2.91Å; R407-S409 VanDerWaalsContact C-N 3.3Å; R407-S409 PolarHBondContact O-N 2.92Å; S409-R587 PolarHBondContact O-NH2 3.21Å
410	L	80.5	Confident	78.7	Confident	28 Å²	28	76.1 Å²	76.1	15%	0.147	36%	0.364	C	S	.	.	S	Bend	trans	-74	140.9	-177.2	-67.8	174.3	0	0	0	111.3	R407 R408 I412 F413 Q442	R407-L410 PolarHBondContact O-N 2.68Å; R408-L410 VanDerWaalsContact C-N 3.31Å; L410-I412 HydrophobicContact CB-CG2 4.31Å; L410-I412 PolarHBondContact O-N 3.1Å; L410-I412 VanDerWaalsContact O-N 3.08Å; L410-F413 WeakPolarHBondContact O-CB 3.2Å; L410-F413 PolarHBondContact O-N 3.37Å; L410-Q442 HydrophobicContact CD1-CG 3.61Å
411	P	80.3	Confident	81.2	Confident	32 Å²	32	70.3 Å²	70.3	21%	0.208	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.3	-178.5	-28.4	35.5	0	0	0	115.6	P414 Y415 S437	P411-P414 WeakPolarHBondContact O-CD 3.47Å; P411-Y415 WeakPolarHBondContact O-CD2 3.3Å; P411-S437 WeakPolarHBondContact CD-O 3.34Å
412	I	86.9	Confident	83.2	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.6	178.5	-164.2	167.7	0	0	0	113.7	L410 Y415 R416 L419 S437 Q442 I443 Y446 I583	L410-I412 HydrophobicContact CB-CG2 4.31Å; L410-I412 PolarHBondContact O-N 3.1Å; L410-I412 VanDerWaalsContact O-N 3.08Å; I412-Y415 PolarHBondContact O-N 3.48Å; I412-Y415 VanDerWaalsContact O-N 3.12Å; I412-R416 PolarHBondContact O-N 3.15Å; I412-L419 HydrophobicContact CD1-CD2 4.27Å; I412-S437 WeakPolarHBondContact CB-O 3.4Å; I412-S437 VanDerWaalsContact CG2-O 3.32Å; I412-S437 WeakPolarHBondContact CG2-O 3.35Å; I412-S437 PolarHBondContact N-O 3.38Å; I412-S437 VanDerWaalsContact N-O 3.15Å; I412-Q442 HydrophobicContact CG2-CB 3.78Å; I412-Q442 HydrophobicContact CG2-CG 3.8Å; I412-I443 HydrophobicContact CD1-CD1 3.87Å; I412-I443 HydrophobicContact CD1-CG1 3.44Å; I412-I443 VanDerWaalsContact CD1-CG1 3.44Å; I412-Y446 HydrophobicContact CG1-CE2 4.37Å; I412-Y446 HydrophobicContact CG2-CE2 4.41Å; I412-I583 HydrophobicContact CD1-CD1 3.66Å; I412-I583 HydrophobicContact CG1-CD1 3.79Å
413	F	87.1	Confident	84.6	Confident	68 Å²	68	63.6 Å²	63.6	30%	0.298	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-60.8	-44.1	-171.9	-173.8	-90.7	0	0	0	114	R408 L410 Y415 R416	R408-F413 HydrophobicContact CG-CD2 4.45Å; R408-F413 HydrophobicContact CG-CE1 4.18Å; R408-F413 HydrophobicContact CG-CE2 3.98Å; R408-F413 HydrophobicContact CG-CZ 3.84Å; L410-F413 WeakPolarHBondContact O-CB 3.2Å; L410-F413 PolarHBondContact O-N 3.37Å; F413-Y415 PolarHBondContact O-N 2.86Å; F413-R416 VanDerWaalsContact O-CB 3.31Å; F413-R416 WeakPolarHBondContact O-CB 3.26Å; F413-R416 PolarHBondContact O-N 2.84Å
414	P	87.9	Confident	85.9	Confident	96 Å²	96	64 Å²	64	62%	0.623	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-60.9	-28.5	176.7	-22.7	34.6	0	0	0	113.6	P411	P411-P414 WeakPolarHBondContact O-CD 3.47Å
415	Y	89.3	Confident	87	Confident	84 Å²	84	65 Å²	65	33%	0.329	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-94.4	9.9	-176.4	-61.5	-79.8	0	0	0	113.1	P411 I412 F413 E417 L419 P584	P411-Y415 WeakPolarHBondContact O-CD2 3.3Å; I412-Y415 PolarHBondContact O-N 3.48Å; I412-Y415 VanDerWaalsContact O-N 3.12Å; F413-Y415 PolarHBondContact O-N 2.86Å; Y415-E417 PolarHBondContact O-N 3.47Å; Y415-L419 VanDerWaalsContact O-CB 3.23Å; Y415-L419 WeakPolarHBondContact O-CB 3.33Å; Y415-L419 PolarHBondContact O-N 3.48Å; Y415-P584 HydrophobicContact CE2-CG 3.82Å; Y415-P584 WeakPolarHBondContact OH-CG 3.38Å
416	R	90.8	Very high	88	Confident	66 Å²	66	63.9 Å²	63.9	25%	0.249	33%	0.326	C	S	.	.	H	α-helix	trans	-56.5	-48.8	-176.9	173.4	-173.3	166.4	151.2	7.3	112.2	I412 F413 L419 L420 Y446 E449	I412-R416 PolarHBondContact O-N 3.15Å; F413-R416 VanDerWaalsContact O-CB 3.31Å; F413-R416 WeakPolarHBondContact O-CB 3.26Å; F413-R416 PolarHBondContact O-N 2.84Å; R416-L419 PolarHBondContact O-N 3.21Å; R416-L420 HydrophobicContact CG-CD1 4.21Å; R416-L420 WeakPolarHBondContact O-CG 3.19Å; R416-L420 PolarHBondContact O-N 2.88Å; R416-L420 VanDerWaalsContact O-N 3.07Å; R416-Y446 HydrophobicContact CB-CD2 4.43Å; R416-Y446 HydrophobicContact CB-CE2 4.07Å; R416-Y446 HydrophobicContact CG-CD1 4.14Å; R416-Y446 HydrophobicContact CG-CD2 3.98Å; R416-Y446 HydrophobicContact CG-CE1 4.2Å; R416-Y446 HydrophobicContact CG-CE2 4.03Å; R416-Y446 HydrophobicContact CG-CG 4.05Å; R416-E449 IonicContact CZ-OE2 3.06Å; R416-E449 IonicContact NH1-OE2 2.78Å; R416-E449 PolarHBondContact NH1-OE2 2.82Å; R416-E449 IonicContact NH2-OE2 2.81Å; R416-E449 PolarHBondContact NH2-OE2 3.24Å
417	E	92.4	Very high	89	Confident	160 Å²	160	64.4 Å²	64.4	75%	0.748	33%	0.326	S	S	*	.	H	α-helix	trans	-68.4	-46.1	-175.7	-65.2	-173.1	174.9	0	0	111.1	Y415 L419 L420 A421	Y415-E417 PolarHBondContact O-N 3.47Å; E417-L419 VanDerWaalsContact C-N 3.29Å; E417-L419 PolarHBondContact O-N 3.14Å; E417-L420 PolarHBondContact O-N 3.15Å; E417-A421 PolarHBondContact O-N 2.99Å
418	D	92.6	Very high	89.8	Confident	97 Å²	97	63.2 Å²	63.2	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-40.8	175.9	-61	-26.8	0	0	0	111.8	A421 A422 F581	D418-A421 PolarHBondContact O-N 3.04Å; D418-A422 PolarHBondContact O-N 2.9Å; D418-F581 HydrophobicContact CB-CE2 4.03Å; D418-F581 HydrophobicContact CB-CZ 4.08Å
419	L	93.1	Very high	90.5	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-46.7	177.3	178.9	66.6	0	0	0	111.5	I412 Y415 R416 E417 A421 A422 I423 L429 I431 I443 F581	I412-L419 HydrophobicContact CD1-CD2 4.27Å; Y415-L419 VanDerWaalsContact O-CB 3.23Å; Y415-L419 WeakPolarHBondContact O-CB 3.33Å; Y415-L419 PolarHBondContact O-N 3.48Å; R416-L419 PolarHBondContact O-N 3.21Å; E417-L419 VanDerWaalsContact C-N 3.29Å; E417-L419 PolarHBondContact O-N 3.14Å; L419-A421 VanDerWaalsContact C-N 3.31Å; L419-A421 PolarHBondContact O-N 2.97Å; L419-A422 PolarHBondContact O-N 2.84Å; L419-I423 HydrophobicContact CD1-CD1 4.01Å; L419-I423 HydrophobicContact CD1-CG1 4.34Å; L419-I423 HydrophobicContact CD2-CD1 4.43Å; L419-I423 HydrophobicContact CG-CD1 3.8Å; L419-I423 HydrophobicContact CG-CG1 4.49Å; L419-I423 VanDerWaalsContact O-CG1 3.22Å; L419-I423 WeakPolarHBondContact O-CG1 3.49Å; L419-I423 PolarHBondContact O-N 3.29Å; L419-L429 HydrophobicContact CD1-CD2 3.98Å; L419-I431 HydrophobicContact CD1-CD1 3.94Å; L419-I431 HydrophobicContact CD1-CG1 4.38Å; L419-I443 HydrophobicContact CD2-CD1 4.44Å; L419-I443 HydrophobicContact CD2-CG1 3.96Å; L419-F581 HydrophobicContact CB-CE1 4.1Å; L419-F581 HydrophobicContact CB-CE2 4.47Å; L419-F581 HydrophobicContact CB-CZ 3.95Å; L419-F581 HydrophobicContact CD1-CD1 3.79Å; L419-F581 HydrophobicContact CD1-CE1 3.98Å; L419-F581 HydrophobicContact CD1-CG 4.07Å; L419-F581 HydrophobicContact CD1-CZ 4.43Å
420	L	93.8	Very high	91.2	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-36.9	179.1	-73.4	172.7	0	0	0	112	R416 E417 I423 T424 D450	R416-L420 HydrophobicContact CG-CD1 4.21Å; R416-L420 WeakPolarHBondContact O-CG 3.19Å; R416-L420 PolarHBondContact O-N 2.88Å; R416-L420 VanDerWaalsContact O-N 3.07Å; E417-L420 PolarHBondContact O-N 3.15Å; L420-I423 PolarHBondContact O-N 3.3Å; L420-T424 PolarHBondContact O-N 3.23Å; L420-T424 PolarHBondContact O-OG1 2.95Å; L420-D450 HydrophobicContact CD2-CB 4.11Å
421	A	93.6	Very high	91.8	Very high	60 Å²	60	51.5 Å²	51.5	50%	0.496	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-48.4	173.1	0	0	0	0	0	111.4	E417 D418 L419 I423 T424 E425	E417-A421 PolarHBondContact O-N 2.99Å; D418-A421 PolarHBondContact O-N 3.04Å; L419-A421 VanDerWaalsContact C-N 3.31Å; L419-A421 PolarHBondContact O-N 2.97Å; A421-I423 VanDerWaalsContact C-N 3.34Å; A421-I423 PolarHBondContact O-N 3.43Å; A421-T424 WeakPolarHBondContact O-CB 3.4Å; A421-T424 PolarHBondContact O-N 3.43Å; A421-T424 VanDerWaalsContact O-N 3.15Å; A421-E425 PolarHBondContact O-N 3.25Å
422	A	93.7	Very high	92.2	Very high	16 Å²	16	51.1 Å²	51.1	13%	0.132	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-39.6	177.5	0	0	0	0	0	112.8	D418 L419 T424 E425 H426 L429 F581	D418-A422 PolarHBondContact O-N 2.9Å; L419-A422 PolarHBondContact O-N 2.84Å; A422-T424 VanDerWaalsContact C-N 3.29Å; A422-T424 PolarHBondContact O-N 3.47Å; A422-E425 PolarHBondContact O-N 3.44Å; A422-H426 PolarHBondContact O-CD2 3.42Å; A422-H426 PolarHBondContact O-N 3.09Å; A422-L429 HydrophobicContact CB-CD1 4.29Å; A422-L429 HydrophobicContact CB-CD2 4.06Å; A422-F581 HydrophobicContact CB-CD2 4.2Å
423	I	93.9	Very high	92.1	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-32.7	177.5	-65.8	168.5	0	0	0	111.5	L419 L420 A421 L429 L447 K558 L560	L419-I423 HydrophobicContact CD1-CD1 4.01Å; L419-I423 HydrophobicContact CD1-CG1 4.34Å; L419-I423 HydrophobicContact CD2-CD1 4.43Å; L419-I423 HydrophobicContact CG-CD1 3.8Å; L419-I423 HydrophobicContact CG-CG1 4.49Å; L419-I423 VanDerWaalsContact O-CG1 3.22Å; L419-I423 WeakPolarHBondContact O-CG1 3.49Å; L419-I423 PolarHBondContact O-N 3.29Å; L420-I423 PolarHBondContact O-N 3.3Å; A421-I423 VanDerWaalsContact C-N 3.34Å; A421-I423 PolarHBondContact O-N 3.43Å; I423-L429 HydrophobicContact CG1-CD2 3.77Å; I423-L447 HydrophobicContact CD1-CD2 4.05Å; I423-L447 HydrophobicContact CG2-CD2 4.04Å; I423-K558 VanDerWaalsContact O-CE 3.23Å; I423-K558 WeakPolarHBondContact O-CE 3.47Å; I423-K558 PolarHBondContact O-NZ 2.94Å; I423-L560 HydrophobicContact CD1-CD1 3.81Å; I423-L560 HydrophobicContact CD1-CD2 4.18Å; I423-L560 HydrophobicContact CG1-CD1 4.36Å; I423-L560 HydrophobicContact CG1-CD2 3.82Å; I423-L560 HydrophobicContact CG2-CD2 4.39Å
424	T	93.2	Very high	91.6	Very high	83 Å²	83	50.5 Å²	50.5	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-70.1	-45.8	176.9	-57.7	0	0	0	0	110.3	L420 A421 A422 K558	L420-T424 PolarHBondContact O-N 3.23Å; L420-T424 PolarHBondContact O-OG1 2.95Å; A421-T424 WeakPolarHBondContact O-CB 3.4Å; A421-T424 PolarHBondContact O-N 3.43Å; A421-T424 VanDerWaalsContact O-N 3.15Å; A422-T424 VanDerWaalsContact C-N 3.29Å; A422-T424 PolarHBondContact O-N 3.47Å; T424-K558 PolarHBondContact O-NZ 3.43Å
425	E	94.1	Very high	91	Very high	152 Å²	152	47.5 Å²	47.5	71%	0.71	24%	0.243	S	C	*	.	H	α-helix	trans	-66.9	-43.9	-178.8	-172.7	173.4	179.5	0	0	113.1	A421 A422	A421-E425 PolarHBondContact O-N 3.25Å; A422-E425 PolarHBondContact O-N 3.44Å
426	H	93.5	Very high	90.3	Very high	60 Å²	60	46 Å²	46	28%	0.278	25%	0.252	S	S	.	.			trans	-107.4	141.9	-173	-57.4	-64.6	0	0	0	112.2	A422 K558 P579	A422-H426 PolarHBondContact O-CD2 3.42Å; A422-H426 PolarHBondContact O-N 3.09Å; H426-K558 PolarHBondContact O-NZ 3.35Å; H426-P579 HydrophobicContact CB-CG 3.93Å; H426-P579 WeakPolarHBondContact CD2-CG 3.42Å
427	Q	94.3	Very high	89.7	Confident	59 Å²	59	43 Å²	43	28%	0.276	24%	0.242	S	C	.	.	S	Bend	trans	-74.6	-44.6	175.7	-170.2	-173.4	1	0	0	111.5	A551 R554 L557 K558 V559	Q427-A551 PolarHBondContact NE2-O 3.26Å; Q427-R554 PolarHBondContact NE2-O 2.96Å; Q427-L557 WeakPolarHBondContact CG-O 3.25Å; Q427-L557 PolarHBondContact NE2-O 3.24Å; Q427-K558 WeakPolarHBondContact O-CA 3.34Å; Q427-V559 PolarHBondContact O-N 2.87Å
428	I	95.3	Very high	89.2	Confident	24 Å²	24	35.8 Å²	35.8	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.4	177.9	-51	178.1	0	0	0	108	A551 V559 F575 A578	I428-A551 HydrophobicContact CD1-CB 4.01Å; I428-A551 HydrophobicContact CG1-CB 4.47Å; I428-V559 VanDerWaalsContact CA-O 3.3Å; I428-V559 WeakPolarHBondContact CA-O 3.33Å; I428-V559 HydrophobicContact CG1-CB 4.23Å; I428-V559 HydrophobicContact CG2-CB 4.37Å; I428-V559 HydrophobicContact CG2-CG1 4.5Å; I428-F575 HydrophobicContact CD1-CB 4.43Å; I428-F575 HydrophobicContact CD1-CD1 3.9Å; I428-F575 HydrophobicContact CG2-CB 3.95Å; I428-F575 HydrophobicContact CG2-CD1 4.1Å; I428-F575 HydrophobicContact CG2-CG 3.96Å; I428-A578 HydrophobicContact CB-CB 4.24Å; I428-A578 HydrophobicContact CG2-CB 4.04Å
429	L	95.2	Very high	88.9	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.9	179	-172.9	72.3	0	0	0	110.1	L419 A422 I423 I431 V559 L560 V561 P579 F581	L419-L429 HydrophobicContact CD1-CD2 3.98Å; A422-L429 HydrophobicContact CB-CD1 4.29Å; A422-L429 HydrophobicContact CB-CD2 4.06Å; I423-L429 HydrophobicContact CG1-CD2 3.77Å; L429-I431 HydrophobicContact CD2-CD1 4.36Å; L429-I431 HydrophobicContact CD2-CG1 4.07Å; L429-I431 HydrophobicContact CG-CG1 4.22Å; L429-V559 PolarHBondContact N-O 2.82Å; L429-L560 HydrophobicContact CB-CD2 3.81Å; L429-L560 HydrophobicContact CD2-CD2 4.36Å; L429-L560 WeakPolarHBondContact O-CA 3.32Å; L429-V561 PolarHBondContact O-N 3.48Å; L429-P579 HydrophobicContact CD1-CB 4.22Å; L429-P579 HydrophobicContact CD1-CG 3.92Å; L429-P579 WeakPolarHBondContact CD1-O 3.47Å; L429-F581 HydrophobicContact CD1-CB 4.18Å; L429-F581 HydrophobicContact CD2-CB 4.13Å; L429-F581 HydrophobicContact CG-CB 4.25Å
430	V	94.6	Very high	88.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120.9	172.9	-178.9	0	0	0	0	108.1	V561 T568 F571 A578 P579 V580 F581	V430-V561 CarbonylContact C-O 3.4Å; V430-V561 WeakPolarHBondContact CA-O 3.46Å; V430-V561 HydrophobicContact CG2-CB 4.5Å; V430-T568 HydrophobicContact CG1-CG2 4.01Å; V430-F571 HydrophobicContact CG1-CB 4.13Å; V430-F571 HydrophobicContact CG2-CB 4.1Å; V430-A578 HydrophobicContact CG2-CB 4.31Å; V430-P579 PolarHBondContact N-O 3.34Å; V430-V580 HydrophobicContact CB-CG2 4.21Å; V430-V580 HydrophobicContact CG1-CG1 4.49Å; V430-V580 HydrophobicContact CG1-CG2 4.44Å; V430-V580 CarbonylContact O-C 3.47Å; V430-V580 VanDerWaalsContact O-CA 3.32Å; V430-V580 WeakPolarHBondContact O-CA 3.35Å; V430-F581 PolarHBondContact O-N 3.43Å
431	I	92.5	Very high	88.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.9	-177.9	-56	175.5	0	0	0	108.6	L419 L429 K439 I443 L560 V561 A562 S563 F581 I583	L419-I431 HydrophobicContact CD1-CD1 3.94Å; L419-I431 HydrophobicContact CD1-CG1 4.38Å; L429-I431 HydrophobicContact CD2-CD1 4.36Å; L429-I431 HydrophobicContact CD2-CG1 4.07Å; L429-I431 HydrophobicContact CG-CG1 4.22Å; I431-K439 HydrophobicContact CG2-CD 4.23Å; I431-I443 HydrophobicContact CD1-CD1 3.82Å; I431-I443 HydrophobicContact CG2-CD1 4.26Å; I431-L560 HydrophobicContact CD1-CB 4.14Å; I431-L560 HydrophobicContact CD1-CD1 4.18Å; I431-L560 HydrophobicContact CD1-CD2 4.43Å; I431-L560 HydrophobicContact CD1-CG 4.48Å; I431-V561 PolarHBondContact N-O 3.11Å; I431-A562 HydrophobicContact CB-CB 4.44Å; I431-A562 WeakPolarHBondContact O-CA 3.08Å; I431-S563 PolarHBondContact O-N 2.81Å; I431-F581 WeakPolarHBondContact CA-O 3.18Å; I431-I583 HydrophobicContact CG2-CD1 3.68Å; I431-I583 HydrophobicContact CG2-CG1 4.44Å
432	E	88.9	Confident	88.3	Confident	24 Å²	24	30 Å²	30	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	173.2	-159.4	178.1	146.1	0	0	109.4	S563 T568 V580 F581 R582 I583	E432-S563 WeakPolarHBondContact CA-O 3.39Å; E432-T568 HydrophobicContact CB-CG2 3.76Å; E432-T568 HydrophobicContact CG-CG2 3.59Å; E432-T568 WeakPolarHBondContact OE2-CG2 3.38Å; E432-T568 PolarHBondContact OE2-OG1 3.12Å; E432-V580 HydrophobicContact CB-CG1 4.23Å; E432-F581 PolarHBondContact N-O 2.89Å; E432-R582 HydrophobicContact CB-CB 4.49Å; E432-R582 HydrophobicContact CB-CG 4Å; E432-R582 IonicContact OE2-CZ 2.81Å; E432-R582 IonicContact OE2-NE 3.78Å; E432-R582 PolarHBondContact OE2-NE 3.26Å; E432-R582 IonicContact OE2-NH2 2.74Å; E432-I583 PolarHBondContact O-N 2.89Å
433	G	84.1	Confident	88.3	Confident	4 Å²	4	29.3 Å²	29.3	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	148.3	167.8	0	0	0	0	0	111.7	K439 S563 A564	G433-K439 VanDerWaalsContact O-CE 3.25Å; G433-K439 WeakPolarHBondContact O-CE 3.33Å; G433-K439 PolarHBondContact O-NZ 3.32Å; G433-S563 PolarHBondContact N-O 3.18Å; G433-A564 WeakPolarHBondContact O-CA 3.39Å
434	E	77	Confident	88.4	Confident	52 Å²	52	29.3 Å²	29.3	24%	0.243	17%	0.166	C	C	.	.			trans	-68.3	164.6	-175.6	-67.4	-168.2	159.2	0	0	113.9	G436 S437 K439 R586	E434-G436 PolarHBondContact O-N 3.38Å; E434-S437 WeakPolarHBondContact O-CB 3.4Å; E434-S437 PolarHBondContact O-N 3.47Å; E434-S437 PolarHBondContact O-OG 3.33Å; E434-K439 PolarHBondContact O-NZ 2.91Å; E434-R586 VanDerWaalsContact CD-CG 3.46Å; E434-R586 VanDerWaalsContact CD-NE 3.3Å; E434-R586 IonicContact OE1-CZ 3.74Å; E434-R586 VanDerWaalsContact OE1-CZ 3.26Å; E434-R586 IonicContact OE1-NE 3.96Å; E434-R586 PolarHBondContact OE1-NE 3.31Å; E434-R586 IonicContact OE1-NH2 2.78Å; E434-R586 PolarHBondContact OE1-NH2 2.9Å; E434-R586 WeakPolarHBondContact OE2-CG 3.28Å; E434-R586 IonicContact OE2-NE 2.69Å; E434-R586 PolarHBondContact OE2-NE 3.14Å
435	T	75.8	Confident	88.3	Confident	33 Å²	33	25.5 Å²	25.5	20%	0.202	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	131.4	175.7	49.1	0	0	0	0	110.4	A564 R736 R739	T435-A564 HydrophobicContact CG2-CB 4.12Å; T435-R736 PolarHBondContact OG1-NH2 2.91Å; T435-R739 PolarHBondContact OG1-NH2 3.25Å
436	G	73.2	Confident	88.3	Confident	52 Å²	52	18.3 Å²	18.3	54%	0.536	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	0.7	-173.4	0	0	0	0	0	115.1	E434 G438	E434-G436 PolarHBondContact O-N 3.38Å; G436-G438 PolarHBondContact O-N 3.23Å
437	S	78.1	Confident	88.3	Confident	3 Å²	3	15.5 Å²	15.5	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	-70.9	-16.5	172.4	63.7	0	0	0	0	114	P411 I412 E434 K439	P411-S437 WeakPolarHBondContact CD-O 3.34Å; I412-S437 WeakPolarHBondContact CB-O 3.4Å; I412-S437 VanDerWaalsContact CG2-O 3.32Å; I412-S437 WeakPolarHBondContact CG2-O 3.35Å; I412-S437 PolarHBondContact N-O 3.38Å; I412-S437 VanDerWaalsContact N-O 3.15Å; E434-S437 WeakPolarHBondContact O-CB 3.4Å; E434-S437 PolarHBondContact O-N 3.47Å; E434-S437 PolarHBondContact O-OG 3.33Å; S437-K439 WeakPolarHBondContact OG-CG 3.46Å
438	G	82.2	Confident	88.2	Confident	8 Å²	8	14.3 Å²	14.3	8%	0.082	9%	0.092	C	C	.	.	S	Bend	trans	100.1	10.4	-179.7	0	0	0	0	0	115.1	G436 T440 T441 Q442	G436-G438 PolarHBondContact O-N 3.23Å; G438-T440 PolarHBondContact O-N 2.95Å; G438-T441 PolarHBondContact O-N 3.03Å; G438-T441 PolarHBondContact O-OG1 3.06Å; G438-Q442 WeakPolarHBondContact O-CB 3.12Å; G438-Q442 WeakPolarHBondContact O-CG 3.24Å; G438-Q442 PolarHBondContact O-N 2.9Å
439	K	87.9	Confident	87.9	Confident	7 Å²	7	17.5 Å²	17.5	3%	0.03	11%	0.106	C	C	.	.	H	α-helix	trans	-49.5	-60.3	-180	-62.8	-175.4	-50.3	-63.7	0	112.6	I431 G433 E434 S437 T441 I443 A562 I583	I431-K439 HydrophobicContact CG2-CD 4.23Å; G433-K439 VanDerWaalsContact O-CE 3.25Å; G433-K439 WeakPolarHBondContact O-CE 3.33Å; G433-K439 PolarHBondContact O-NZ 3.32Å; E434-K439 PolarHBondContact O-NZ 2.91Å; S437-K439 WeakPolarHBondContact OG-CG 3.46Å; K439-T441 VanDerWaalsContact C-N 3.35Å; K439-T441 PolarHBondContact O-N 3.32Å; K439-I443 HydrophobicContact CB-CD1 3.8Å; K439-I443 HydrophobicContact CG-CD1 4.22Å; K439-I443 VanDerWaalsContact O-CB 3.26Å; K439-I443 WeakPolarHBondContact O-CB 3.18Å; K439-I443 WeakPolarHBondContact O-CD1 3.25Å; K439-I443 WeakPolarHBondContact O-CG1 3.1Å; K439-I443 PolarHBondContact O-N 2.99Å; K439-I443 VanDerWaalsContact O-N 3.1Å; K439-A562 HydrophobicContact CD-CB 4.36Å; K439-I583 HydrophobicContact CG-CD1 4.14Å
440	T	88.2	Confident	87.7	Confident	24 Å²	24	21 Å²	21	15%	0.147	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-34.5	-172.9	-33.1	0	0	0	0	113.4	G438 P444 V472 Y506 D531	G438-T440 PolarHBondContact O-N 2.95Å; T440-P444 WeakPolarHBondContact O-CD 3.27Å; T440-P444 WeakPolarHBondContact O-CG 3.25Å; T440-V472 HydrophobicContact CG2-CG1 3.79Å; T440-V472 HydrophobicContact CG2-CG2 4.25Å; T440-Y506 HydrophobicContact CG2-CE1 4.36Å; T440-Y506 PolarHBondContact O-OH 2.84Å; T440-D531 VanDerWaalsContact CB-OD2 3.25Å; T440-D531 WeakPolarHBondContact CB-OD2 3.2Å; T440-D531 WeakPolarHBondContact CG2-OD2 3.21Å; T440-D531 PolarHBondContact OG1-OD2 3.23Å
441	T	88.4	Confident	87.4	Confident	25 Å²	25	21.6 Å²	21.6	15%	0.153	13%	0.131	C	C	.	.	H	α-helix	trans	-84.4	-40.7	-177.6	53.9	0	0	0	0	111.8	G438 K439 Q445 V472 V476	G438-T441 PolarHBondContact O-N 3.03Å; G438-T441 PolarHBondContact O-OG1 3.06Å; K439-T441 VanDerWaalsContact C-N 3.35Å; K439-T441 PolarHBondContact O-N 3.32Å; T441-Q445 WeakPolarHBondContact O-CG 3.5Å; T441-Q445 PolarHBondContact O-NE2 3.15Å; T441-V472 HydrophobicContact CG2-CG1 4.29Å; T441-V476 HydrophobicContact CG2-CG2 4.17Å
442	Q	91.3	Very high	87.2	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-94.7	-37.8	-167.8	-57.4	-54.1	-55.2	0	0	114.3	L410 I412 G438 Q445 Y446 E479	L410-Q442 HydrophobicContact CD1-CG 3.61Å; I412-Q442 HydrophobicContact CG2-CB 3.78Å; I412-Q442 HydrophobicContact CG2-CG 3.8Å; G438-Q442 WeakPolarHBondContact O-CB 3.12Å; G438-Q442 WeakPolarHBondContact O-CG 3.24Å; G438-Q442 PolarHBondContact O-N 2.9Å; Q442-Q445 WeakPolarHBondContact O-CB 3.34Å; Q442-Q445 PolarHBondContact O-N 2.61Å; Q442-Q445 VanDerWaalsContact O-N 3.11Å; Q442-Y446 HydrophobicContact CB-CD2 4.45Å; Q442-Y446 HydrophobicContact CB-CE1 4.29Å; Q442-Y446 HydrophobicContact CB-CE2 3.81Å; Q442-Y446 VanDerWaalsContact O-CG 3.29Å; Q442-Y446 PolarHBondContact O-N 3.08Å; Q442-E479 PolarHBondContact NE2-OE2 2.8Å
443	I	93.5	Very high	87.1	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-58.5	-47.8	-177.3	-60.8	171.1	0	0	0	111.4	I412 L419 I431 K439 Q445 Y446 L447 I529 L560	I412-I443 HydrophobicContact CD1-CD1 3.87Å; I412-I443 HydrophobicContact CD1-CG1 3.44Å; I412-I443 VanDerWaalsContact CD1-CG1 3.44Å; L419-I443 HydrophobicContact CD2-CD1 4.44Å; L419-I443 HydrophobicContact CD2-CG1 3.96Å; I431-I443 HydrophobicContact CD1-CD1 3.82Å; I431-I443 HydrophobicContact CG2-CD1 4.26Å; K439-I443 HydrophobicContact CB-CD1 3.8Å; K439-I443 HydrophobicContact CG-CD1 4.22Å; K439-I443 VanDerWaalsContact O-CB 3.26Å; K439-I443 WeakPolarHBondContact O-CB 3.18Å; K439-I443 WeakPolarHBondContact O-CD1 3.25Å; K439-I443 WeakPolarHBondContact O-CG1 3.1Å; K439-I443 PolarHBondContact O-N 2.99Å; K439-I443 VanDerWaalsContact O-N 3.1Å; I443-Q445 VanDerWaalsContact C-N 3.27Å; I443-Q445 PolarHBondContact O-N 3.12Å; I443-Y446 PolarHBondContact O-N 3.5Å; I443-L447 HydrophobicContact CG2-CD1 4.1Å; I443-L447 WeakPolarHBondContact O-CG 3.22Å; I443-L447 PolarHBondContact O-N 3.49Å; I443-L447 VanDerWaalsContact O-N 3.11Å; I443-I529 HydrophobicContact CG2-CD1 4.11Å; I443-L560 HydrophobicContact CG2-CD1 3.77Å
444	P	94.4	Very high	87	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-35.7	177.4	-21.9	34.3	0	0	0	112.9	T440 L448 L504 Y506 I529	T440-P444 WeakPolarHBondContact O-CD 3.27Å; T440-P444 WeakPolarHBondContact O-CG 3.25Å; P444-L448 WeakPolarHBondContact O-CB 3.46Å; P444-L448 PolarHBondContact O-N 2.96Å; P444-L504 HydrophobicContact CB-CD1 4.36Å; P444-L504 HydrophobicContact CB-CD2 4.19Å; P444-Y506 HydrophobicContact CG-CE1 4.32Å; P444-Y506 WeakPolarHBondContact CG-OH 3.49Å; P444-I529 HydrophobicContact CB-CD1 4.32Å; P444-I529 HydrophobicContact CG-CD1 3.8Å
445	Q	92.6	Very high	87	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.019	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-40.8	176.9	-66.6	-179.9	56.2	0	0	111.7	T441 Q442 I443 L447 L448 E449 V476 E479 M480	T441-Q445 WeakPolarHBondContact O-CG 3.5Å; T441-Q445 PolarHBondContact O-NE2 3.15Å; Q442-Q445 WeakPolarHBondContact O-CB 3.34Å; Q442-Q445 PolarHBondContact O-N 2.61Å; Q442-Q445 VanDerWaalsContact O-N 3.11Å; I443-Q445 VanDerWaalsContact C-N 3.27Å; I443-Q445 PolarHBondContact O-N 3.12Å; Q445-L447 VanDerWaalsContact C-N 3.34Å; Q445-L447 PolarHBondContact O-N 2.95Å; Q445-L448 WeakPolarHBondContact O-CB 3.35Å; Q445-L448 PolarHBondContact O-N 3.42Å; Q445-E449 VanDerWaalsContact O-CG 3.31Å; Q445-E449 WeakPolarHBondContact O-CG 3.5Å; Q445-E449 PolarHBondContact O-N 3.22Å; Q445-V476 HydrophobicContact CG-CG1 3.99Å; Q445-E479 PolarHBondContact NE2-OE2 2.75Å; Q445-M480 HydrophobicContact CG-CG 4.44Å; Q445-M480 HydrophobicContact CG-SD 4.28Å
446	Y	93.7	Very high	87.3	Confident	1 Å²	1	34 Å²	34	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-41.4	177.2	-61.2	-25	0	0	0	111.9	I412 R416 Q442 I443 E449 D450	I412-Y446 HydrophobicContact CG1-CE2 4.37Å; I412-Y446 HydrophobicContact CG2-CE2 4.41Å; R416-Y446 HydrophobicContact CB-CD2 4.43Å; R416-Y446 HydrophobicContact CB-CE2 4.07Å; R416-Y446 HydrophobicContact CG-CD1 4.14Å; R416-Y446 HydrophobicContact CG-CD2 3.98Å; R416-Y446 HydrophobicContact CG-CE1 4.2Å; R416-Y446 HydrophobicContact CG-CE2 4.03Å; R416-Y446 HydrophobicContact CG-CG 4.05Å; Q442-Y446 HydrophobicContact CB-CD2 4.45Å; Q442-Y446 HydrophobicContact CB-CE1 4.29Å; Q442-Y446 HydrophobicContact CB-CE2 3.81Å; Q442-Y446 VanDerWaalsContact O-CG 3.29Å; Q442-Y446 PolarHBondContact O-N 3.08Å; I443-Y446 PolarHBondContact O-N 3.5Å; Y446-E449 PolarHBondContact O-N 3.36Å; Y446-D450 WeakPolarHBondContact O-CB 3.24Å; Y446-D450 PolarHBondContact O-N 2.96Å
447	L	93.2	Very high	88	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-38.2	175.5	-68.5	168.6	0	0	0	112.6	I423 I443 Q445 D450 G451 Y452 I459 V527 I529 L560	I423-L447 HydrophobicContact CD1-CD2 4.05Å; I423-L447 HydrophobicContact CG2-CD2 4.04Å; I443-L447 HydrophobicContact CG2-CD1 4.1Å; I443-L447 WeakPolarHBondContact O-CG 3.22Å; I443-L447 PolarHBondContact O-N 3.49Å; I443-L447 VanDerWaalsContact O-N 3.11Å; Q445-L447 VanDerWaalsContact C-N 3.34Å; Q445-L447 PolarHBondContact O-N 2.95Å; L447-D450 PolarHBondContact O-N 3.35Å; L447-G451 PolarHBondContact O-N 2.99Å; L447-Y452 HydrophobicContact CB-CD2 4.25Å; L447-Y452 HydrophobicContact CD2-CD2 3.72Å; L447-Y452 HydrophobicContact CD2-CE2 3.79Å; L447-Y452 HydrophobicContact CD2-CG 4.26Å; L447-Y452 WeakPolarHBondContact O-CD2 3.29Å; L447-Y452 PolarHBondContact O-N 3.49Å; L447-Y452 VanDerWaalsContact O-N 3.13Å; L447-I459 HydrophobicContact CB-CD1 3.59Å; L447-I459 HydrophobicContact CD1-CG2 4.44Å; L447-V527 HydrophobicContact CD1-CB 4.33Å; L447-V527 HydrophobicContact CD1-CG1 3.82Å; L447-V527 HydrophobicContact CD1-CG2 4.42Å; L447-I529 HydrophobicContact CD1-CD1 3.88Å; L447-L560 HydrophobicContact CD1-CD1 3.91Å
448	L	91.3	Very high	88.8	Confident	34 Å²	34	37.2 Å²	37.2	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-47.3	173.3	175.9	64.3	0	0	0	111.2	P444 Q445 D450 G451 T453 I459 M480 V503 L504	P444-L448 WeakPolarHBondContact O-CB 3.46Å; P444-L448 PolarHBondContact O-N 2.96Å; Q445-L448 WeakPolarHBondContact O-CB 3.35Å; Q445-L448 PolarHBondContact O-N 3.42Å; L448-D450 VanDerWaalsContact C-N 3.32Å; L448-D450 PolarHBondContact O-N 3.08Å; L448-G451 PolarHBondContact O-N 3.43Å; L448-G451 VanDerWaalsContact O-N 3.14Å; L448-T453 HydrophobicContact CD1-CG2 3.59Å; L448-T453 WeakPolarHBondContact CD1-OG1 3.28Å; L448-I459 HydrophobicContact CB-CD1 4.47Å; L448-M480 HydrophobicContact CD2-CE 3.25Å; L448-M480 HydrophobicContact CD2-SD 4Å; L448-V503 HydrophobicContact CD1-CG2 4.08Å; L448-L504 HydrophobicContact CB-CD2 4.26Å; L448-L504 HydrophobicContact CD2-CD1 3.97Å; L448-L504 HydrophobicContact CD2-CG 4.19Å
449	E	90.4	Very high	89.4	Confident	92 Å²	92	36.9 Å²	36.9	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-35.7	179.3	-72.2	172.2	-157.2	0	0	112.4	R407 R416 Q445 Y446 G451	R407-E449 IonicContact CZ-OE1 3.17Å; R407-E449 VanDerWaalsContact CZ-OE1 3.32Å; R407-E449 IonicContact NH1-OE1 3.99Å; R407-E449 PolarHBondContact NH1-OE1 2.98Å; R407-E449 IonicContact NH2-OE1 2.93Å; R407-E449 PolarHBondContact NH2-OE1 2.79Å; R407-E449 IonicContact NH2-OE2 3.9Å; R416-E449 IonicContact CZ-OE2 3.06Å; R416-E449 IonicContact NH1-OE2 2.78Å; R416-E449 PolarHBondContact NH1-OE2 2.82Å; R416-E449 IonicContact NH2-OE2 2.81Å; R416-E449 PolarHBondContact NH2-OE2 3.24Å; Q445-E449 VanDerWaalsContact O-CG 3.31Å; Q445-E449 WeakPolarHBondContact O-CG 3.5Å; Q445-E449 PolarHBondContact O-N 3.22Å; Y446-E449 PolarHBondContact O-N 3.36Å; E449-G451 PolarHBondContact O-N 2.94Å
450	D	90.3	Very high	89.8	Confident	74 Å²	74	36.6 Å²	36.6	40%	0.396	22%	0.221	S	C	.	.	H	α-helix	trans	-74.2	-15.8	176.9	-158.1	55.3	0	0	0	112.8	L420 Y446 L447 L448 Y452	L420-D450 HydrophobicContact CD2-CB 4.11Å; Y446-D450 WeakPolarHBondContact O-CB 3.24Å; Y446-D450 PolarHBondContact O-N 2.96Å; L447-D450 PolarHBondContact O-N 3.35Å; L448-D450 VanDerWaalsContact C-N 3.32Å; L448-D450 PolarHBondContact O-N 3.08Å; D450-Y452 HydrophobicContact CB-CD2 4.13Å; D450-Y452 HydrophobicContact CB-CE2 4.15Å; D450-Y452 VanDerWaalsContact OD2-CE2 3.24Å; D450-Y452 WeakPolarHBondContact OD2-CE2 3.31Å
451	G	89.2	Confident	90.1	Very high	14 Å²	14	35.6 Å²	35.6	14%	0.144	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	24.2	170.1	0	0	0	0	0	115.1	L447 L448 E449 T453 K454	L447-G451 PolarHBondContact O-N 2.99Å; L448-G451 PolarHBondContact O-N 3.43Å; L448-G451 VanDerWaalsContact O-N 3.14Å; E449-G451 PolarHBondContact O-N 2.94Å; G451-T453 PolarHBondContact O-N 3.13Å; G451-T453 VanDerWaalsContact O-N 3.13Å; G451-K454 WeakPolarHBondContact O-CB 3.49Å; G451-K454 WeakPolarHBondContact O-CD 3.41Å; G451-K454 VanDerWaalsContact O-CG 3.26Å; G451-K454 WeakPolarHBondContact O-CG 3.44Å; G451-K454 PolarHBondContact O-N 2.83Å; G451-K454 VanDerWaalsContact O-N 3.13Å
452	Y	87.8	Confident	90.5	Very high	43 Å²	43	34.4 Å²	34.4	17%	0.169	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.7	173.2	-77.9	-92	0	0	0	113.6	L447 D450 S526 V527 K558	L447-Y452 HydrophobicContact CB-CD2 4.25Å; L447-Y452 HydrophobicContact CD2-CD2 3.72Å; L447-Y452 HydrophobicContact CD2-CE2 3.79Å; L447-Y452 HydrophobicContact CD2-CG 4.26Å; L447-Y452 WeakPolarHBondContact O-CD2 3.29Å; L447-Y452 PolarHBondContact O-N 3.49Å; L447-Y452 VanDerWaalsContact O-N 3.13Å; D450-Y452 HydrophobicContact CB-CD2 4.13Å; D450-Y452 HydrophobicContact CB-CE2 4.15Å; D450-Y452 VanDerWaalsContact OD2-CE2 3.24Å; D450-Y452 WeakPolarHBondContact OD2-CE2 3.31Å; Y452-S526 VanDerWaalsContact O-CB 3.23Å; Y452-S526 WeakPolarHBondContact O-CB 3.42Å; Y452-S526 PolarHBondContact O-OG 2.96Å; Y452-V527 HydrophobicContact CD1-CG2 3.54Å; Y452-V527 HydrophobicContact CE1-CG2 4.29Å; Y452-V527 HydrophobicContact CG-CG2 3.88Å; Y452-K558 HydrophobicContact CE1-CG 4.05Å
453	T	86.7	Confident	90.4	Very high	23 Å²	23	34.7 Å²	34.7	14%	0.141	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	3.3	176.6	60.5	0	0	0	0	113.8	L448 G451 G456 M457 I459 V503	L448-T453 HydrophobicContact CD1-CG2 3.59Å; L448-T453 WeakPolarHBondContact CD1-OG1 3.28Å; G451-T453 PolarHBondContact O-N 3.13Å; G451-T453 VanDerWaalsContact O-N 3.13Å; T453-G456 PolarHBondContact O-N 3.04Å; T453-M457 VanDerWaalsContact CA-O 3.29Å; T453-M457 WeakPolarHBondContact CA-O 3.4Å; T453-M457 WeakPolarHBondContact CB-O 3.45Å; T453-I459 HydrophobicContact CG2-CD1 3.59Å; T453-I459 HydrophobicContact CG2-CG1 3.86Å; T453-V503 HydrophobicContact CG2-CB 4.18Å
454	K	82.9	Confident	90.1	Very high	153 Å²	153	35.9 Å²	35.9	67%	0.665	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-61.4	143.7	174.7	-71.6	169.7	-176.5	160.2	0	110	G451	G451-K454 WeakPolarHBondContact O-CB 3.49Å; G451-K454 WeakPolarHBondContact O-CD 3.41Å; G451-K454 VanDerWaalsContact O-CG 3.26Å; G451-K454 WeakPolarHBondContact O-CG 3.44Å; G451-K454 PolarHBondContact O-N 2.83Å; G451-K454 VanDerWaalsContact O-N 3.13Å
455	G	76.9	Confident	89.5	Confident	87 Å²	87	38.6 Å²	38.6	90%	0.897	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	83	10.7	-178	0	0	0	0	0	115
456	G	80.3	Confident	89	Confident	67 Å²	67	41.3 Å²	41.3	69%	0.691	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	84.1	10.6	179.3	0	0	0	0	0	114.1	T453	T453-G456 PolarHBondContact O-N 3.04Å
457	M	88.9	Confident	88.2	Confident	68 Å²	68	45.3 Å²	45.3	34%	0.335	26%	0.261	S	S	.	.			trans	-76.3	151.2	175.3	-63.3	-163	-71.3	0	0	111.6	T453	T453-M457 VanDerWaalsContact CA-O 3.29Å; T453-M457 WeakPolarHBondContact CA-O 3.4Å; T453-M457 WeakPolarHBondContact CB-O 3.45Å
458	K	93.8	Very high	87.5	Confident	54 Å²	54	45.7 Å²	45.7	24%	0.235	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	158.2	-178.5	-58.6	-179.3	-175.9	176.8	0	111.4	T502 V503 S524 Y525 S526	K458-T502 WeakPolarHBondContact CD-O 3.46Å; K458-T502 WeakPolarHBondContact CE-O 3.16Å; K458-T502 WeakPolarHBondContact CG-O 3.4Å; K458-V503 WeakPolarHBondContact CA-O 3.31Å; K458-S524 PolarHBondContact N-O 3.1Å; K458-Y525 HydrophobicContact CB-CD1 3.83Å; K458-Y525 HydrophobicContact CB-CE1 3.91Å; K458-Y525 VanDerWaalsContact O-CA 3.3Å; K458-Y525 WeakPolarHBondContact O-CA 3.45Å; K458-S526 PolarHBondContact O-N 3.48Å; K458-S526 PolarHBondContact O-OG 3.18Å
459	I	96.1	Very high	87.2	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.5	167.7	-62.2	161.9	0	0	0	107.4	L447 L448 T453 V503 L504 K505 V527 I529	L447-I459 HydrophobicContact CB-CD1 3.59Å; L447-I459 HydrophobicContact CD1-CG2 4.44Å; L448-I459 HydrophobicContact CB-CD1 4.47Å; T453-I459 HydrophobicContact CG2-CD1 3.59Å; T453-I459 HydrophobicContact CG2-CG1 3.86Å; I459-V503 PolarHBondContact N-O 3.33Å; I459-L504 HydrophobicContact CB-CD2 3.75Å; I459-L504 HydrophobicContact CD1-CD2 3.75Å; I459-L504 HydrophobicContact CG1-CD2 4.27Å; I459-L504 HydrophobicContact CG2-CD2 4.28Å; I459-K505 PolarHBondContact O-N 2.86Å; I459-V527 WeakPolarHBondContact CA-O 3.45Å; I459-V527 HydrophobicContact CG1-CB 4.27Å; I459-V527 HydrophobicContact CG1-CG2 4.43Å; I459-V527 HydrophobicContact CG2-CB 4.29Å; I459-I529 HydrophobicContact CG2-CD1 4.06Å
460	G	95.4	Very high	86.8	Confident	2 Å²	2	42.3 Å²	42.3	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124.7	176.6	0	0	0	0	0	110.4	K505 V527 I528 I529	G460-K505 WeakPolarHBondContact CA-O 3.28Å; G460-V527 PolarHBondContact N-O 3.23Å; G460-I528 CarbonylContact O-C 3.55Å; G460-I528 WeakPolarHBondContact O-CA 3.43Å; G460-I529 PolarHBondContact O-N 3.4Å
461	C	96	Very high	86.2	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.1	170.6	-175.2	0	0	0	0	109.1	K505 Y506 M507 I529	C461-K505 PolarHBondContact N-O 3.25Å; C461-Y506 HydrophobicContact CB-CD1 3.66Å; C461-Y506 HydrophobicContact CB-CE1 3.74Å; C461-Y506 HydrophobicContact CB-CG 4.48Å; C461-Y506 CarbonylContact O-C 3.38Å; C461-Y506 WeakPolarHBondContact O-CA 3.36Å; C461-M507 PolarHBondContact O-N 2.73Å; C461-I529 CarbonylContact C-O 3.56Å; C461-I529 WeakPolarHBondContact CA-O 3.44Å; C461-I529 HydrophobicContact CB-CB 4.35Å
462	T	94.9	Very high	86.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	152.7	175.4	76.6	0	0	0	0	111.1	M507 D509 L512 I529 I530 D531	T462-M507 CarbonylContact C-O 3.43Å; T462-M507 VanDerWaalsContact CA-O 3.23Å; T462-M507 WeakPolarHBondContact CA-O 3.37Å; T462-M507 HydrophobicContact CG2-CG 4.27Å; T462-D509 VanDerWaalsContact CB-OD1 3.29Å; T462-D509 WeakPolarHBondContact CB-OD1 3.5Å; T462-D509 PolarHBondContact OG1-OD1 2.82Å; T462-L512 HydrophobicContact CG2-CB 4.02Å; T462-L512 HydrophobicContact CG2-CD2 3.42Å; T462-L512 VanDerWaalsContact CG2-CD2 3.42Å; T462-L512 HydrophobicContact CG2-CG 4.33Å; T462-I529 PolarHBondContact N-O 2.95Å; T462-I530 WeakPolarHBondContact OG1-CA 3.28Å; T462-D531 WeakPolarHBondContact O-CB 3.29Å
463	Q	90.8	Very high	86.1	Confident	6 Å²	6	40 Å²	40	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.3	174.8	-74.8	-65.4	-44.9	0	0	108.6	R465 A469 M507 T508 D509 D531	Q463-R465 PolarHBondContact O-N 2.76Å; Q463-A469 HydrophobicContact CB-CB 4.06Å; Q463-A469 HydrophobicContact CG-CB 4.38Å; Q463-M507 PolarHBondContact N-O 3.04Å; Q463-T508 VanDerWaalsContact O-CA 3.27Å; Q463-T508 WeakPolarHBondContact O-CA 3.23Å; Q463-D509 VanDerWaalsContact C-OD1 3.29Å; Q463-D509 PolarHBondContact N-OD1 3.26Å; Q463-D509 PolarHBondContact O-N 3.27Å; Q463-D531 PolarHBondContact NE2-OD2 3.39Å
464	P	86	Confident	86	Confident	27 Å²	27	40.4 Å²	40.4	18%	0.175	25%	0.247	C	C	.	.	S	Bend	trans	-66.5	-26.6	178.5	24.9	-33.3	0	0	0	112.1	D509 E532 E535 T537	P464-D509 WeakPolarHBondContact CA-OD2 3.23Å; P464-E532 HydrophobicContact CG-CB 3.77Å; P464-E535 HydrophobicContact CB-CB 4.48Å; P464-E535 WeakPolarHBondContact CB-OE2 3.29Å; P464-E535 HydrophobicContact CG-CB 4.33Å; P464-E535 HydrophobicContact CG-CG 4.19Å; P464-E535 VanDerWaalsContact CG-OE2 3.23Å; P464-E535 WeakPolarHBondContact CG-OE2 3.34Å; P464-T537 HydrophobicContact CB-CG2 3.63Å
465	R	83.1	Confident	86	Confident	59 Å²	59	37.2 Å²	37.2	22%	0.223	23%	0.231	C	C	.	.	S	Bend	trans	-111.3	132.4	-175.8	-53.8	-159.3	-166.5	165.4	-0.8	113.2	Q463 V467 A468 A469 E535 I687 T690 S691	Q463-R465 PolarHBondContact O-N 2.76Å; R465-V467 PolarHBondContact O-N 3.47Å; R465-A468 HydrophobicContact CB-CB 4.15Å; R465-A468 WeakPolarHBondContact O-CB 3.45Å; R465-A468 PolarHBondContact O-N 3.08Å; R465-A468 VanDerWaalsContact O-N 3.16Å; R465-A469 PolarHBondContact O-N 2.85Å; R465-A469 VanDerWaalsContact O-N 3.08Å; R465-E535 IonicContact CZ-OE1 3.2Å; R465-E535 VanDerWaalsContact CZ-OE1 3.32Å; R465-E535 IonicContact NE-OE1 2.62Å; R465-E535 PolarHBondContact NE-OE1 2.8Å; R465-E535 IonicContact NE-OE2 2.65Å; R465-E535 PolarHBondContact NE-OE2 3.48Å; R465-E535 IonicContact NH2-OE1 2.86Å; R465-E535 PolarHBondContact NH2-OE1 3.29Å; R465-E535 IonicContact NH2-OE2 3.33Å; R465-I687 PolarHBondContact NH1-O 2.99Å; R465-I687 VanDerWaalsContact NH1-O 3.08Å; R465-T690 PolarHBondContact NH2-OG1 3.49Å; R465-S691 WeakPolarHBondContact CD-OG 3.38Å; R465-S691 PolarHBondContact NE-OG 3.38Å; R465-S691 PolarHBondContact NH1-OG 2.92Å
466	R	81.9	Confident	86.5	Confident	61 Å²	61	33.1 Å²	33.1	23%	0.23	19%	0.188	C	C	.	.	H	α-helix	trans	-54	-47.5	176.4	-69.5	179.2	63.5	161.6	6.5	113.4	A468 A469 M470 I492 R493 E495 T508 R921	R466-A468 VanDerWaalsContact C-N 3.29Å; R466-A468 PolarHBondContact O-N 3Å; R466-A469 PolarHBondContact O-N 2.68Å; R466-M470 WeakPolarHBondContact O-CG 3.4Å; R466-M470 PolarHBondContact O-N 2.71Å; R466-M470 VanDerWaalsContact O-N 3.1Å; R466-I492 HydrophobicContact CB-CD1 4.28Å; R466-I492 HydrophobicContact CG-CB 4.34Å; R466-I492 HydrophobicContact CG-CD1 4.47Å; R466-R493 PolarHBondContact NH1-O 3.08Å; R466-R493 PolarHBondContact NH2-O 3.24Å; R466-R493 VanDerWaalsContact NH2-O 3.09Å; R466-E495 IonicContact NH2-OE2 2.68Å; R466-T508 HydrophobicContact CB-CG2 4.47Å; R466-T508 HydrophobicContact CG-CG2 3.81Å; R466-R921 VanDerWaalsContact NH2-NH2 3.17Å
467	V	75.8	Confident	86.9	Confident	84 Å²	84	30 Å²	30	51%	0.509	16%	0.156	S	C	.	.	H	α-helix	trans	-65.4	-35.8	-177.8	179.9	0	0	0	0	111	R465 S471	R465-V467 PolarHBondContact O-N 3.47Å; V467-S471 VanDerWaalsContact O-CB 3.29Å; V467-S471 WeakPolarHBondContact O-CB 3.25Å; V467-S471 PolarHBondContact O-N 3.5Å; V467-S471 PolarHBondContact O-OG 3.46Å
468	A	79.4	Confident	86.7	Confident	8 Å²	8	32.6 Å²	32.6	7%	0.066	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-49	175.5	0	0	0	0	0	110.7	R465 R466 M470 S471 V472	R465-A468 HydrophobicContact CB-CB 4.15Å; R465-A468 WeakPolarHBondContact O-CB 3.45Å; R465-A468 PolarHBondContact O-N 3.08Å; R465-A468 VanDerWaalsContact O-N 3.16Å; R466-A468 VanDerWaalsContact C-N 3.29Å; R466-A468 PolarHBondContact O-N 3Å; A468-M470 VanDerWaalsContact C-N 3.34Å; A468-M470 PolarHBondContact O-N 2.89Å; A468-S471 PolarHBondContact O-N 2.79Å; A468-S471 PolarHBondContact O-OG 3.23Å; A468-V472 VanDerWaalsContact O-CB 3.26Å; A468-V472 WeakPolarHBondContact O-CB 3.11Å; A468-V472 WeakPolarHBondContact O-CG2 3.32Å; A468-V472 PolarHBondContact O-N 3.38Å
469	A	85.4	Confident	86.4	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-55.2	-46.4	176.9	0	0	0	0	0	112.8	Q463 R465 R466 A473 I492	Q463-A469 HydrophobicContact CB-CB 4.06Å; Q463-A469 HydrophobicContact CG-CB 4.38Å; R465-A469 PolarHBondContact O-N 2.85Å; R465-A469 VanDerWaalsContact O-N 3.08Å; R466-A469 PolarHBondContact O-N 2.68Å; A469-A473 WeakPolarHBondContact O-CB 3.44Å; A469-A473 PolarHBondContact O-N 2.99Å; A469-A473 VanDerWaalsContact O-N 3.09Å; A469-I492 HydrophobicContact CB-CG2 3.98Å
470	M	80.4	Confident	85.9	Confident	56 Å²	56	33.9 Å²	33.9	28%	0.276	18%	0.175	S	C	.	.	H	α-helix	trans	-67	-49.7	179.9	-65.4	172.6	74.3	0	0	112.5	R466 A468 A473 A474 Y490 I492 E495	R466-M470 WeakPolarHBondContact O-CG 3.4Å; R466-M470 PolarHBondContact O-N 2.71Å; R466-M470 VanDerWaalsContact O-N 3.1Å; A468-M470 VanDerWaalsContact C-N 3.34Å; A468-M470 PolarHBondContact O-N 2.89Å; M470-A473 PolarHBondContact O-N 3.1Å; M470-A474 WeakPolarHBondContact O-CB 3.47Å; M470-A474 PolarHBondContact O-N 3.46Å; M470-Y490 HydrophobicContact CE-CE2 4.28Å; M470-Y490 HydrophobicContact CG-CD2 3.89Å; M470-Y490 HydrophobicContact CG-CE1 4.39Å; M470-Y490 HydrophobicContact CG-CE2 3.67Å; M470-Y490 HydrophobicContact CG-CG 4.34Å; M470-Y490 HydrophobicContact SD-CE2 4.48Å; M470-I492 HydrophobicContact CG-CD1 3.78Å; M470-I492 HydrophobicContact SD-CD1 3.53Å; M470-I492 VanDerWaalsContact SD-CD1 3.53Å; M470-E495 WeakPolarHBondContact CE-OE1 3.46Å
471	S	78.8	Confident	85.5	Confident	61 Å²	61	39.1 Å²	39.1	43%	0.427	21%	0.211	S	C	.	.	H	α-helix	trans	-68.3	-39.5	-175.5	56.9	0	0	0	0	112.2	V467 A468 A474 R475	V467-S471 VanDerWaalsContact O-CB 3.29Å; V467-S471 WeakPolarHBondContact O-CB 3.25Å; V467-S471 PolarHBondContact O-N 3.5Å; V467-S471 PolarHBondContact O-OG 3.46Å; A468-S471 PolarHBondContact O-N 2.79Å; A468-S471 PolarHBondContact O-OG 3.23Å; S471-A474 PolarHBondContact O-N 2.79Å; S471-R475 VanDerWaalsContact O-CB 3.28Å; S471-R475 WeakPolarHBondContact O-CB 3.42Å; S471-R475 PolarHBondContact O-N 2.95Å
472	V	86.2	Confident	85.2	Confident	22 Å²	22	40.7 Å²	40.7	13%	0.133	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-44.4	175.2	174.3	0	0	0	0	110.6	T440 T441 A468 A474 R475 V476 Y506	T440-V472 HydrophobicContact CG2-CG1 3.79Å; T440-V472 HydrophobicContact CG2-CG2 4.25Å; T441-V472 HydrophobicContact CG2-CG1 4.29Å; A468-V472 VanDerWaalsContact O-CB 3.26Å; A468-V472 WeakPolarHBondContact O-CB 3.11Å; A468-V472 WeakPolarHBondContact O-CG2 3.32Å; A468-V472 PolarHBondContact O-N 3.38Å; V472-A474 VanDerWaalsContact C-N 3.34Å; V472-A474 PolarHBondContact O-N 3.19Å; V472-R475 PolarHBondContact O-N 3.43Å; V472-V476 HydrophobicContact CG1-CG2 4.18Å; V472-V476 WeakPolarHBondContact O-CB 3.3Å; V472-V476 VanDerWaalsContact O-CG2 3.3Å; V472-V476 WeakPolarHBondContact O-CG2 3.43Å; V472-V476 PolarHBondContact O-N 2.91Å; V472-Y506 HydrophobicContact CG1-CD1 3.94Å; V472-Y506 HydrophobicContact CG1-CE1 3.53Å
473	A	88.8	Confident	84.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-44.3	176.6	0	0	0	0	0	111.9	A469 M470 V476 A477 L484 V488 Y490 Y506	A469-A473 WeakPolarHBondContact O-CB 3.44Å; A469-A473 PolarHBondContact O-N 2.99Å; A469-A473 VanDerWaalsContact O-N 3.09Å; M470-A473 PolarHBondContact O-N 3.1Å; A473-V476 PolarHBondContact O-N 3.33Å; A473-A477 VanDerWaalsContact O-CB 3.31Å; A473-A477 WeakPolarHBondContact O-CB 3.26Å; A473-A477 PolarHBondContact O-N 3.15Å; A473-L484 HydrophobicContact CB-CD1 3.94Å; A473-V488 HydrophobicContact CB-CG1 4.38Å; A473-V488 WeakPolarHBondContact O-CG1 3.48Å; A473-Y490 HydrophobicContact CB-CD1 4.03Å; A473-Y490 HydrophobicContact CB-CG 4.42Å; A473-Y506 HydrophobicContact CB-CD2 3.68Å; A473-Y506 HydrophobicContact CB-CG 4.08Å
474	A	83.4	Confident	84.6	Confident	31 Å²	31	50.9 Å²	50.9	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-46.1	175.4	0	0	0	0	0	111.6	M470 S471 V472 V476 A477 E478 L484	M470-A474 WeakPolarHBondContact O-CB 3.47Å; M470-A474 PolarHBondContact O-N 3.46Å; S471-A474 PolarHBondContact O-N 2.79Å; V472-A474 VanDerWaalsContact C-N 3.34Å; V472-A474 PolarHBondContact O-N 3.19Å; A474-V476 PolarHBondContact O-N 3.2Å; A474-A477 WeakPolarHBondContact O-CB 3.13Å; A474-A477 PolarHBondContact O-N 2.98Å; A474-E478 WeakPolarHBondContact O-CG 2.99Å; A474-E478 PolarHBondContact O-N 3.01Å; A474-L484 HydrophobicContact CB-CD2 4.09Å
475	R	82.9	Confident	84.6	Confident	86 Å²	86	50.2 Å²	50.2	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-43.3	178	177.8	59.9	-176.4	-168.5	0.5	112.5	M403 S471 V472 E478 E479	M403-R475 PolarHBondContact SD-NH2 3.35Å; M403-R475 VanDerWaalsContact SD-NH2 3.43Å; S471-R475 VanDerWaalsContact O-CB 3.28Å; S471-R475 WeakPolarHBondContact O-CB 3.42Å; S471-R475 PolarHBondContact O-N 2.95Å; V472-R475 PolarHBondContact O-N 3.43Å; R475-E478 WeakPolarHBondContact O-CB 3.31Å; R475-E478 PolarHBondContact O-N 2.91Å; R475-E479 IonicContact CZ-OE1 3.84Å; R475-E479 IonicContact NE-OE1 2.76Å; R475-E479 PolarHBondContact NE-OE1 2.73Å; R475-E479 IonicContact NH2-OE1 2.93Å; R475-E479 WeakPolarHBondContact O-CG 3.3Å; R475-E479 PolarHBondContact O-N 3.1Å
476	V	89.1	Confident	84.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.3	-34.8	179.8	172.8	0	0	0	0	111	T441 Q445 V472 A473 A474 E478 E479 M480 V488 L504 Y506	T441-V476 HydrophobicContact CG2-CG2 4.17Å; Q445-V476 HydrophobicContact CG-CG1 3.99Å; V472-V476 HydrophobicContact CG1-CG2 4.18Å; V472-V476 WeakPolarHBondContact O-CB 3.3Å; V472-V476 VanDerWaalsContact O-CG2 3.3Å; V472-V476 WeakPolarHBondContact O-CG2 3.43Å; V472-V476 PolarHBondContact O-N 2.91Å; A473-V476 PolarHBondContact O-N 3.33Å; A474-V476 PolarHBondContact O-N 3.2Å; V476-E478 VanDerWaalsContact C-N 3.34Å; V476-E479 PolarHBondContact O-N 3.21Å; V476-M480 HydrophobicContact CG1-CG 4.46Å; V476-M480 HydrophobicContact CG1-SD 4.05Å; V476-M480 WeakPolarHBondContact O-CB 3.21Å; V476-M480 WeakPolarHBondContact O-CG 3.47Å; V476-M480 PolarHBondContact O-N 3.14Å; V476-V488 HydrophobicContact CB-CG1 4.38Å; V476-V488 HydrophobicContact CG1-CG1 4.27Å; V476-V488 HydrophobicContact CG1-CG2 4.14Å; V476-L504 HydrophobicContact CG1-CD1 4.33Å; V476-Y506 HydrophobicContact CB-CE2 4.25Å; V476-Y506 HydrophobicContact CG1-CE2 4.32Å; V476-Y506 HydrophobicContact CG2-CE2 4.44Å; V476-Y506 WeakPolarHBondContact CG2-OH 3.36Å
477	A	88.6	Confident	85.4	Confident	3 Å²	3	51.7 Å²	51.7	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-43.4	170.8	0	0	0	0	0	111.6	A473 A474 M480 S481 V482 L484 V488	A473-A477 VanDerWaalsContact O-CB 3.31Å; A473-A477 WeakPolarHBondContact O-CB 3.26Å; A473-A477 PolarHBondContact O-N 3.15Å; A474-A477 WeakPolarHBondContact O-CB 3.13Å; A474-A477 PolarHBondContact O-N 2.98Å; A477-M480 PolarHBondContact O-N 3.01Å; A477-S481 PolarHBondContact O-N 3.17Å; A477-V482 CarbonylContact C-O 3.54Å; A477-V482 HydrophobicContact CB-CG2 4.08Å; A477-V482 PolarHBondContact O-N 3.35Å; A477-L484 HydrophobicContact CB-CB 4.22Å; A477-L484 HydrophobicContact CB-CD1 4.2Å; A477-V488 HydrophobicContact CB-CB 4.09Å; A477-V488 HydrophobicContact CB-CG1 4.3Å
478	E	84.8	Confident	86.2	Confident	121 Å²	121	47.7 Å²	47.7	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-63.7	-44.8	173.5	-71.5	174.7	-177.1	0	0	112.6	M403 A474 R475 V476 M480 S481	M403-E478 HydrophobicContact CE-CB 4.22Å; A474-E478 WeakPolarHBondContact O-CG 2.99Å; A474-E478 PolarHBondContact O-N 3.01Å; R475-E478 WeakPolarHBondContact O-CB 3.31Å; R475-E478 PolarHBondContact O-N 2.91Å; V476-E478 VanDerWaalsContact C-N 3.34Å; E478-M480 VanDerWaalsContact C-N 3.3Å; E478-M480 PolarHBondContact O-N 2.91Å; E478-S481 PolarHBondContact O-N 3.46Å
479	E	85.8	Confident	86.9	Confident	37 Å²	37	47.3 Å²	47.3	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-37.4	178.2	-77.1	179.3	-167	0	0	112.5	M403 Q442 Q445 R475 V476 S481	M403-E479 HydrophobicContact CE-CB 4.46Å; M403-E479 HydrophobicContact CE-CG 3.61Å; Q442-E479 PolarHBondContact NE2-OE2 2.8Å; Q445-E479 PolarHBondContact NE2-OE2 2.75Å; R475-E479 IonicContact CZ-OE1 3.84Å; R475-E479 IonicContact NE-OE1 2.76Å; R475-E479 PolarHBondContact NE-OE1 2.73Å; R475-E479 IonicContact NH2-OE1 2.93Å; R475-E479 WeakPolarHBondContact O-CG 3.3Å; R475-E479 PolarHBondContact O-N 3.1Å; V476-E479 PolarHBondContact O-N 3.21Å; E479-S481 VanDerWaalsContact C-N 3.3Å
480	M	86.3	Confident	87.2	Confident	46 Å²	46	48.1 Å²	48.1	23%	0.227	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4	175.5	-70	-179.3	59.6	0	0	113.5	Q445 L448 V476 A477 E478 V482 V488 L504	Q445-M480 HydrophobicContact CG-CG 4.44Å; Q445-M480 HydrophobicContact CG-SD 4.28Å; L448-M480 HydrophobicContact CD2-CE 3.25Å; L448-M480 HydrophobicContact CD2-SD 4Å; V476-M480 HydrophobicContact CG1-CG 4.46Å; V476-M480 HydrophobicContact CG1-SD 4.05Å; V476-M480 WeakPolarHBondContact O-CB 3.21Å; V476-M480 WeakPolarHBondContact O-CG 3.47Å; V476-M480 PolarHBondContact O-N 3.14Å; A477-M480 PolarHBondContact O-N 3.01Å; E478-M480 VanDerWaalsContact C-N 3.3Å; E478-M480 PolarHBondContact O-N 2.91Å; M480-V482 VanDerWaalsContact C-N 3.27Å; M480-V482 HydrophobicContact CB-CG1 4.26Å; M480-V482 HydrophobicContact CB-CG2 4.01Å; M480-V482 PolarHBondContact O-N 3.44Å; M480-V488 HydrophobicContact CE-CG2 4.35Å; M480-V488 HydrophobicContact SD-CG2 3.65Å; M480-L504 HydrophobicContact SD-CD1 3.84Å
481	S	86.9	Confident	87.6	Confident	112 Å²	112	45.4 Å²	45.4	78%	0.783	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	38.1	-174.5	-56	0	0	0	0	113.6	A477 E478 E479	A477-S481 PolarHBondContact O-N 3.17Å; E478-S481 PolarHBondContact O-N 3.46Å; E479-S481 VanDerWaalsContact C-N 3.3Å
482	V	89.1	Confident	88	Confident	34 Å²	34	42.6 Å²	42.6	21%	0.206	22%	0.222	C	C	.	.			trans	-114.9	157.1	177.4	-60.5	0	0	0	0	111.2	A477 M480 E487 V488	A477-V482 CarbonylContact C-O 3.54Å; A477-V482 HydrophobicContact CB-CG2 4.08Å; A477-V482 PolarHBondContact O-N 3.35Å; M480-V482 VanDerWaalsContact C-N 3.27Å; M480-V482 HydrophobicContact CB-CG1 4.26Å; M480-V482 HydrophobicContact CB-CG2 4.01Å; M480-V482 PolarHBondContact O-N 3.44Å; V482-E487 HydrophobicContact CG1-CB 4.41Å; V482-E487 WeakPolarHBondContact CG1-OE2 3.45Å; V482-E487 HydrophobicContact CG2-CB 4.39Å; V482-V488 HydrophobicContact CG2-CB 4.25Å; V482-V488 HydrophobicContact CG2-CG2 3.84Å
483	K	88	Confident	87.7	Confident	158 Å²	158	46.2 Å²	46.2	69%	0.687	23%	0.233	S	C	*	.			trans	-76.6	129.7	173.9	-168.8	-179.1	179.2	-176.7	0	110	G485 N486	K483-G485 PolarHBondContact O-N 2.83Å; K483-N486 WeakPolarHBondContact O-CB 3.41Å; K483-N486 PolarHBondContact O-N 3.16Å; K483-N486 VanDerWaalsContact O-N 3.09Å
484	L	86.4	Confident	86.9	Confident	63 Å²	63	47.3 Å²	47.3	33%	0.33	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	134.1	172	-173.2	62.9	0	0	0	110.9	A473 A474 A477 Y490	A473-L484 HydrophobicContact CB-CD1 3.94Å; A474-L484 HydrophobicContact CB-CD2 4.09Å; A477-L484 HydrophobicContact CB-CB 4.22Å; A477-L484 HydrophobicContact CB-CD1 4.2Å; L484-Y490 HydrophobicContact CD1-CD1 4.18Å; L484-Y490 HydrophobicContact CD2-CD1 4.37Å; L484-Y490 HydrophobicContact CD2-CE1 3.92Å; L484-Y490 HydrophobicContact CG-CD1 4.5Å; L484-Y490 HydrophobicContact CG-CE1 4.36Å
485	G	85.6	Confident	86.6	Confident	12 Å²	12	48.7 Å²	48.7	12%	0.124	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-13.5	-174.3	0	0	0	0	0	114.6	K483 V488 C497 S499 T502	K483-G485 PolarHBondContact O-N 2.83Å; G485-V488 PolarHBondContact N-O 2.87Å; G485-C497 WeakPolarHBondContact CA-O 3.46Å; G485-S499 VanDerWaalsContact O-CB 3.25Å; G485-S499 WeakPolarHBondContact O-CB 3.49Å; G485-S499 PolarHBondContact O-N 3.28Å; G485-S499 PolarHBondContact O-OG 3.31Å; G485-T502 PolarHBondContact O-OG1 2.71Å
486	N	90.4	Very high	86.6	Confident	62 Å²	62	48.7 Å²	48.7	33%	0.332	25%	0.245	S	C	.	.	S	Bend	trans	-88.1	-107.7	172	-67.8	-10.1	0	0	0	109.8	K483 R501 T502	K483-N486 WeakPolarHBondContact O-CB 3.41Å; K483-N486 PolarHBondContact O-N 3.16Å; K483-N486 VanDerWaalsContact O-N 3.09Å; N486-R501 CarbonylContact O-C 3.59Å; N486-T502 WeakPolarHBondContact O-CA 3.37Å; N486-T502 VanDerWaalsContact O-CB 3.3Å; N486-T502 WeakPolarHBondContact O-CB 3.25Å; N486-T502 PolarHBondContact O-N 2.91Å; N486-T502 VanDerWaalsContact O-N 3.12Å; N486-T502 PolarHBondContact O-OG1 3.02Å
487	E	90.6	Very high	86.4	Confident	90 Å²	90	50.7 Å²	50.7	42%	0.421	26%	0.259	S	S	.	.	S	Bend	trans	-66.8	-37.1	-177.6	-67	-179.6	-164.9	0	0	112.9	V482 R501 V503 L504	V482-E487 HydrophobicContact CG1-CB 4.41Å; V482-E487 WeakPolarHBondContact CG1-OE2 3.45Å; V482-E487 HydrophobicContact CG2-CB 4.39Å; E487-R501 WeakPolarHBondContact CA-O 3.19Å; E487-V503 HydrophobicContact CB-CG2 4.13Å; E487-V503 VanDerWaalsContact O-CG2 3.27Å; E487-V503 WeakPolarHBondContact O-CG2 3.32Å; E487-V503 PolarHBondContact O-N 3.26Å; E487-L504 PolarHBondContact O-N 3.1Å
488	V	93.9	Very high	86.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.6	173.5	-177.8	0	0	0	0	108.2	A473 V476 A477 M480 V482 G485 L504 Y506	A473-V488 HydrophobicContact CB-CG1 4.38Å; A473-V488 WeakPolarHBondContact O-CG1 3.48Å; V476-V488 HydrophobicContact CB-CG1 4.38Å; V476-V488 HydrophobicContact CG1-CG1 4.27Å; V476-V488 HydrophobicContact CG1-CG2 4.14Å; A477-V488 HydrophobicContact CB-CB 4.09Å; A477-V488 HydrophobicContact CB-CG1 4.3Å; M480-V488 HydrophobicContact CE-CG2 4.35Å; M480-V488 HydrophobicContact SD-CG2 3.65Å; V482-V488 HydrophobicContact CG2-CB 4.25Å; V482-V488 HydrophobicContact CG2-CG2 3.84Å; G485-V488 PolarHBondContact N-O 2.87Å; V488-L504 WeakPolarHBondContact CA-O 3.31Å; V488-L504 HydrophobicContact CG2-CB 4.25Å; V488-L504 HydrophobicContact CG2-CD1 4.27Å; V488-Y506 HydrophobicContact CG1-CD2 4.16Å; V488-Y506 HydrophobicContact CG1-CE2 3.96Å
489	G	93.1	Very high	86.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	170.7	179.4	0	0	0	0	0	112	C497 L504 Y506	G489-C497 VanDerWaalsContact CA-O 3.22Å; G489-C497 WeakPolarHBondContact CA-O 3.48Å; G489-L504 PolarHBondContact N-O 3.33Å; G489-Y506 PolarHBondContact O-N 3.43Å
490	Y	91.8	Very high	86.6	Confident	16 Å²	16	55 Å²	55	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.8	172	68	-92.4	0	0	0	112.8	M470 A473 L484 I492 E495 C497 Y506	M470-Y490 HydrophobicContact CE-CE2 4.28Å; M470-Y490 HydrophobicContact CG-CD2 3.89Å; M470-Y490 HydrophobicContact CG-CE1 4.39Å; M470-Y490 HydrophobicContact CG-CE2 3.67Å; M470-Y490 HydrophobicContact CG-CG 4.34Å; M470-Y490 HydrophobicContact SD-CE2 4.48Å; A473-Y490 HydrophobicContact CB-CD1 4.03Å; A473-Y490 HydrophobicContact CB-CG 4.42Å; L484-Y490 HydrophobicContact CD1-CD1 4.18Å; L484-Y490 HydrophobicContact CD2-CD1 4.37Å; L484-Y490 HydrophobicContact CD2-CE1 3.92Å; L484-Y490 HydrophobicContact CG-CD1 4.5Å; L484-Y490 HydrophobicContact CG-CE1 4.36Å; Y490-I492 HydrophobicContact CD2-CD1 4.41Å; Y490-I492 HydrophobicContact CD2-CG1 4.34Å; Y490-I492 HydrophobicContact CD2-CG2 4.16Å; Y490-I492 HydrophobicContact CE2-CD1 4.14Å; Y490-I492 HydrophobicContact CE2-CG1 4.31Å; Y490-E495 HydrophobicContact CE2-CG 4.08Å; Y490-E495 PolarHBondContact OH-OE1 3.27Å; Y490-C497 HydrophobicContact CD1-CB 3.93Å; Y490-C497 HydrophobicContact CD2-CB 4.31Å; Y490-C497 HydrophobicContact CE1-CB 3.56Å; Y490-C497 HydrophobicContact CE2-CB 3.99Å; Y490-C497 HydrophobicContact CG-CB 4.3Å; Y490-C497 PolarHBondContact N-O 3.35Å; Y490-C497 VanDerWaalsContact N-O 3.15Å; Y490-C497 CarbonylContact O-C 3.54Å; Y490-C497 WeakPolarHBondContact O-CA 3.31Å; Y490-C497 PolarHBondContact O-N 3.35Å; Y490-C497 PolarHBondContact OH-SG 3.2Å; Y490-Y506 CarbonylContact C-O 3.5Å; Y490-Y506 WeakPolarHBondContact CA-O 2.81Å; Y490-Y506 VanDerWaalsContact CB-O 3.31Å; Y490-Y506 WeakPolarHBondContact CB-O 3.44Å
491	S	88.9	Confident	86.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	117.4	173.5	-172.6	0	0	0	0	110	D496 Y506 M507 T508 M511	S491-D496 PolarHBondContact OG-OD2 3.09Å; S491-Y506 PolarHBondContact N-O 2.88Å; S491-M507 WeakPolarHBondContact O-CA 3.46Å; S491-M507 WeakPolarHBondContact O-CB 3.41Å; S491-T508 PolarHBondContact O-N 2.87Å; S491-M511 WeakPolarHBondContact OG-CE 3.47Å
492	I	86.6	Confident	86.8	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	162.4	179.7	66.2	-177.8	0	0	0	109.4	R466 A469 M470 Y490 F494 E495 T508	R466-I492 HydrophobicContact CB-CD1 4.28Å; R466-I492 HydrophobicContact CG-CB 4.34Å; R466-I492 HydrophobicContact CG-CD1 4.47Å; A469-I492 HydrophobicContact CB-CG2 3.98Å; M470-I492 HydrophobicContact CG-CD1 3.78Å; M470-I492 HydrophobicContact SD-CD1 3.53Å; M470-I492 VanDerWaalsContact SD-CD1 3.53Å; Y490-I492 HydrophobicContact CD2-CD1 4.41Å; Y490-I492 HydrophobicContact CD2-CG1 4.34Å; Y490-I492 HydrophobicContact CD2-CG2 4.16Å; Y490-I492 HydrophobicContact CE2-CD1 4.14Å; Y490-I492 HydrophobicContact CE2-CG1 4.31Å; I492-F494 PolarHBondContact O-N 3.16Å; I492-F494 VanDerWaalsContact O-N 3.09Å; I492-E495 CarbonylContact C-O 3.6Å; I492-E495 HydrophobicContact CD1-CB 4.08Å; I492-E495 HydrophobicContact CG1-CB 3.68Å; I492-E495 HydrophobicContact CG1-CG 4.43Å; I492-E495 WeakPolarHBondContact CG1-O 3.48Å; I492-E495 PolarHBondContact N-O 2.72Å; I492-E495 CarbonylContact O-C 3.56Å; I492-E495 PolarHBondContact O-N 2.89Å; I492-T508 HydrophobicContact CB-CG2 4.24Å; I492-T508 HydrophobicContact CG2-CG2 3.88Å
493	R	80.6	Confident	87.1	Confident	99 Å²	99	56.5 Å²	56.5	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	123.5	178.2	-168.1	-178.8	169.2	-168.9	-10	110.2	R466 E495 M511 P830	R466-R493 PolarHBondContact NH1-O 3.08Å; R466-R493 PolarHBondContact NH2-O 3.24Å; R466-R493 VanDerWaalsContact NH2-O 3.09Å; R493-E495 VanDerWaalsContact C-N 3.35Å; R493-M511 HydrophobicContact CB-SD 4.37Å; R493-P830 PolarHBondContact NE-O 3.33Å; R493-P830 VanDerWaalsContact NE-O 3.11Å; R493-P830 PolarHBondContact NH2-O 3.03Å
494	F	72.4	Confident	87.4	Confident	22 Å²	22	49 Å²	49	10%	0.096	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	13.8	-176.6	-46.1	-65.3	0	0	0	117.4	I492 P830 V925 Q928	I492-F494 PolarHBondContact O-N 3.16Å; I492-F494 VanDerWaalsContact O-N 3.09Å; F494-P830 HydrophobicContact CE1-CG 3.83Å; F494-P830 HydrophobicContact CZ-CG 4.25Å; F494-V925 HydrophobicContact CB-CG2 3.98Å; F494-V925 HydrophobicContact CD1-CB 4.38Å; F494-V925 HydrophobicContact CD1-CG1 4.24Å; F494-V925 HydrophobicContact CD1-CG2 3.99Å; F494-V925 HydrophobicContact CD2-CG2 3.61Å; F494-V925 HydrophobicContact CE1-CG1 3.93Å; F494-V925 HydrophobicContact CE1-CG2 4.35Å; F494-V925 HydrophobicContact CE2-CG1 4.4Å; F494-V925 HydrophobicContact CE2-CG2 3.98Å; F494-V925 HydrophobicContact CG-CB 4.46Å; F494-V925 HydrophobicContact CG-CG2 3.61Å; F494-V925 HydrophobicContact CZ-CG1 4.01Å; F494-V925 HydrophobicContact CZ-CG2 4.34Å; F494-Q928 PolarHBondContact O-NE2 3.15Å
495	E	76.3	Confident	87.8	Confident	60 Å²	60	46.9 Å²	46.9	28%	0.28	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	116.9	177.5	-174.7	-176.2	160.9	0	0	110.1	R466 M470 Y490 I492 R493	R466-E495 IonicContact NH2-OE2 2.68Å; M470-E495 WeakPolarHBondContact CE-OE1 3.46Å; Y490-E495 HydrophobicContact CE2-CG 4.08Å; Y490-E495 PolarHBondContact OH-OE1 3.27Å; I492-E495 CarbonylContact C-O 3.6Å; I492-E495 HydrophobicContact CD1-CB 4.08Å; I492-E495 HydrophobicContact CG1-CB 3.68Å; I492-E495 HydrophobicContact CG1-CG 4.43Å; I492-E495 WeakPolarHBondContact CG1-O 3.48Å; I492-E495 PolarHBondContact N-O 2.72Å; I492-E495 CarbonylContact O-C 3.56Å; I492-E495 PolarHBondContact O-N 2.89Å; R493-E495 VanDerWaalsContact C-N 3.35Å
496	D	82.9	Confident	88.3	Confident	86 Å²	86	46.3 Å²	46.3	46%	0.46	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	118.9	178.1	-159.4	-36.5	0	0	0	110.3	S491 T498	S491-D496 PolarHBondContact OG-OD2 3.09Å; D496-T498 WeakPolarHBondContact OD1-CB 3.28Å; D496-T498 WeakPolarHBondContact OD1-CG2 3.33Å; D496-T498 PolarHBondContact OD1-N 3.45Å; D496-T498 VanDerWaalsContact OD1-N 3.12Å; D496-T498 PolarHBondContact OD1-OG1 3.3Å
497	C	86.2	Confident	88.5	Confident	43 Å²	43	43.4 Å²	43.4	29%	0.291	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	62.2	176.8	-74.6	0	0	0	0	109.1	G485 G489 Y490	G485-C497 WeakPolarHBondContact CA-O 3.46Å; G489-C497 VanDerWaalsContact CA-O 3.22Å; G489-C497 WeakPolarHBondContact CA-O 3.48Å; Y490-C497 HydrophobicContact CD1-CB 3.93Å; Y490-C497 HydrophobicContact CD2-CB 4.31Å; Y490-C497 HydrophobicContact CE1-CB 3.56Å; Y490-C497 HydrophobicContact CE2-CB 3.99Å; Y490-C497 HydrophobicContact CG-CB 4.3Å; Y490-C497 PolarHBondContact N-O 3.35Å; Y490-C497 VanDerWaalsContact N-O 3.15Å; Y490-C497 CarbonylContact O-C 3.54Å; Y490-C497 WeakPolarHBondContact O-CA 3.31Å; Y490-C497 PolarHBondContact O-N 3.35Å; Y490-C497 PolarHBondContact OH-SG 3.2Å
498	T	88.5	Confident	88.6	Confident	48 Å²	48	39.7 Å²	39.7	29%	0.294	19%	0.191	S	C	.	.			trans	-129	160	174.8	63.3	0	0	0	0	111.7	D496 T502 K505	D496-T498 WeakPolarHBondContact OD1-CB 3.28Å; D496-T498 WeakPolarHBondContact OD1-CG2 3.33Å; D496-T498 PolarHBondContact OD1-N 3.45Å; D496-T498 VanDerWaalsContact OD1-N 3.12Å; D496-T498 PolarHBondContact OD1-OG1 3.3Å; T498-T502 HydrophobicContact CG2-CG2 4.16Å; T498-K505 HydrophobicContact CG2-CD 4.19Å; T498-K505 HydrophobicContact CG2-CG 4.01Å
499	S	88.8	Confident	88.4	Confident	41 Å²	41	39.9 Å²	39.9	29%	0.287	19%	0.191	S	C	.	.			trans	-135.9	174.9	174.6	64.4	0	0	0	0	110.4	G485 R501 T502	G485-S499 VanDerWaalsContact O-CB 3.25Å; G485-S499 WeakPolarHBondContact O-CB 3.49Å; G485-S499 PolarHBondContact O-N 3.28Å; G485-S499 PolarHBondContact O-OG 3.31Å; S499-R501 PolarHBondContact O-N 2.89Å; S499-R501 VanDerWaalsContact O-N 3.13Å; S499-R501 PolarHBondContact OG-N 3.47Å; S499-T502 PolarHBondContact N-OG1 3.38Å; S499-T502 VanDerWaalsContact O-CB 3.31Å; S499-T502 WeakPolarHBondContact O-CB 3.44Å; S499-T502 PolarHBondContact O-N 3.23Å; S499-T502 PolarHBondContact O-OG1 3.41Å
500	E	85	Confident	88.2	Confident	163 Å²	163	41 Å²	41	76%	0.762	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.4	173.1	-63.7	-178	174.3	0	0	112.8	T502	E500-T502 VanDerWaalsContact C-N 3.31Å
501	R	86.9	Confident	88.1	Confident	185 Å²	185	41.6 Å²	41.6	70%	0.698	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.7	177.6	-62	-175.7	-179.2	-178.5	1	113.4	N486 E487 S499 V503	N486-R501 CarbonylContact O-C 3.59Å; E487-R501 WeakPolarHBondContact CA-O 3.19Å; S499-R501 PolarHBondContact O-N 2.89Å; S499-R501 VanDerWaalsContact O-N 3.13Å; S499-R501 PolarHBondContact OG-N 3.47Å; R501-V503 PolarHBondContact O-N 2.97Å
502	T	91.8	Very high	88.3	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.207	C	C	.	.			trans	-70.6	116.4	-176.8	-55.5	0	0	0	0	111.2	K458 G485 N486 T498 S499 E500 L504 K505	K458-T502 WeakPolarHBondContact CD-O 3.46Å; K458-T502 WeakPolarHBondContact CE-O 3.16Å; K458-T502 WeakPolarHBondContact CG-O 3.4Å; G485-T502 PolarHBondContact O-OG1 2.71Å; N486-T502 WeakPolarHBondContact O-CA 3.37Å; N486-T502 VanDerWaalsContact O-CB 3.3Å; N486-T502 WeakPolarHBondContact O-CB 3.25Å; N486-T502 PolarHBondContact O-N 2.91Å; N486-T502 VanDerWaalsContact O-N 3.12Å; N486-T502 PolarHBondContact O-OG1 3.02Å; T498-T502 HydrophobicContact CG2-CG2 4.16Å; S499-T502 PolarHBondContact N-OG1 3.38Å; S499-T502 VanDerWaalsContact O-CB 3.31Å; S499-T502 WeakPolarHBondContact O-CB 3.44Å; S499-T502 PolarHBondContact O-N 3.23Å; S499-T502 PolarHBondContact O-OG1 3.41Å; E500-T502 VanDerWaalsContact C-N 3.31Å; T502-L504 WeakPolarHBondContact CG2-O 3.41Å; T502-K505 HydrophobicContact CG2-CB 4.32Å
503	V	93.6	Very high	88.4	Confident	35 Å²	35	41.7 Å²	41.7	21%	0.212	21%	0.207	C	C	.	.			trans	-103.5	-37.4	177.3	-69.1	0	0	0	0	111.6	L448 T453 K458 I459 E487 R501	L448-V503 HydrophobicContact CD1-CG2 4.08Å; T453-V503 HydrophobicContact CG2-CB 4.18Å; K458-V503 WeakPolarHBondContact CA-O 3.31Å; I459-V503 PolarHBondContact N-O 3.33Å; E487-V503 HydrophobicContact CB-CG2 4.13Å; E487-V503 VanDerWaalsContact O-CG2 3.27Å; E487-V503 WeakPolarHBondContact O-CG2 3.32Å; E487-V503 PolarHBondContact O-N 3.26Å; R501-V503 PolarHBondContact O-N 2.97Å
504	L	95.1	Very high	88.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.8	173.3	-64.7	-172.2	0	0	0	109.1	P444 L448 I459 V476 M480 E487 V488 G489 T502	P444-L504 HydrophobicContact CB-CD1 4.36Å; P444-L504 HydrophobicContact CB-CD2 4.19Å; L448-L504 HydrophobicContact CB-CD2 4.26Å; L448-L504 HydrophobicContact CD2-CD1 3.97Å; L448-L504 HydrophobicContact CD2-CG 4.19Å; I459-L504 HydrophobicContact CB-CD2 3.75Å; I459-L504 HydrophobicContact CD1-CD2 3.75Å; I459-L504 HydrophobicContact CG1-CD2 4.27Å; I459-L504 HydrophobicContact CG2-CD2 4.28Å; V476-L504 HydrophobicContact CG1-CD1 4.33Å; M480-L504 HydrophobicContact SD-CD1 3.84Å; E487-L504 PolarHBondContact O-N 3.1Å; V488-L504 WeakPolarHBondContact CA-O 3.31Å; V488-L504 HydrophobicContact CG2-CB 4.25Å; V488-L504 HydrophobicContact CG2-CD1 4.27Å; G489-L504 PolarHBondContact N-O 3.33Å; T502-L504 WeakPolarHBondContact CG2-O 3.41Å
505	K	95.3	Very high	89.4	Confident	18 Å²	18	40.2 Å²	40.2	8%	0.078	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.9	-178.7	-168.9	178.5	177.8	175.6	0	110.4	I459 G460 C461 T498 T502 M507 E515 Y525	I459-K505 PolarHBondContact O-N 2.86Å; G460-K505 WeakPolarHBondContact CA-O 3.28Å; C461-K505 PolarHBondContact N-O 3.25Å; T498-K505 HydrophobicContact CG2-CD 4.19Å; T498-K505 HydrophobicContact CG2-CG 4.01Å; T502-K505 HydrophobicContact CG2-CB 4.32Å; K505-M507 HydrophobicContact CB-CE 4.08Å; K505-M507 HydrophobicContact CD-CE 3.74Å; K505-M507 HydrophobicContact CG-CE 3.82Å; K505-E515 WeakPolarHBondContact CE-OE1 3.2Å; K505-E515 IonicContact NZ-OE1 2.88Å; K505-E515 PolarHBondContact NZ-OE1 3.26Å; K505-Y525 WeakPolarHBondContact CD-OH 3.46Å
506	Y	95.1	Very high	89.9	Confident	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.1	169.5	-67.4	-87.4	0	0	0	109.5	T440 P444 C461 V472 A473 V476 V488 G489 Y490 S491	T440-Y506 HydrophobicContact CG2-CE1 4.36Å; T440-Y506 PolarHBondContact O-OH 2.84Å; P444-Y506 HydrophobicContact CG-CE1 4.32Å; P444-Y506 WeakPolarHBondContact CG-OH 3.49Å; C461-Y506 HydrophobicContact CB-CD1 3.66Å; C461-Y506 HydrophobicContact CB-CE1 3.74Å; C461-Y506 HydrophobicContact CB-CG 4.48Å; C461-Y506 CarbonylContact O-C 3.38Å; C461-Y506 WeakPolarHBondContact O-CA 3.36Å; V472-Y506 HydrophobicContact CG1-CD1 3.94Å; V472-Y506 HydrophobicContact CG1-CE1 3.53Å; A473-Y506 HydrophobicContact CB-CD2 3.68Å; A473-Y506 HydrophobicContact CB-CG 4.08Å; V476-Y506 HydrophobicContact CB-CE2 4.25Å; V476-Y506 HydrophobicContact CG1-CE2 4.32Å; V476-Y506 HydrophobicContact CG2-CE2 4.44Å; V476-Y506 WeakPolarHBondContact CG2-OH 3.36Å; V488-Y506 HydrophobicContact CG1-CD2 4.16Å; V488-Y506 HydrophobicContact CG1-CE2 3.96Å; G489-Y506 PolarHBondContact O-N 3.43Å; Y490-Y506 CarbonylContact C-O 3.5Å; Y490-Y506 WeakPolarHBondContact CA-O 2.81Å; Y490-Y506 VanDerWaalsContact CB-O 3.31Å; Y490-Y506 WeakPolarHBondContact CB-O 3.44Å; S491-Y506 PolarHBondContact N-O 2.88Å
507	M	94.3	Very high	89.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	161.7	-177.7	67	-168.8	94	0	0	112.2	C461 T462 Q463 S491 K505 M511 L512 Y525	C461-M507 PolarHBondContact O-N 2.73Å; T462-M507 CarbonylContact C-O 3.43Å; T462-M507 VanDerWaalsContact CA-O 3.23Å; T462-M507 WeakPolarHBondContact CA-O 3.37Å; T462-M507 HydrophobicContact CG2-CG 4.27Å; Q463-M507 PolarHBondContact N-O 3.04Å; S491-M507 WeakPolarHBondContact O-CA 3.46Å; S491-M507 WeakPolarHBondContact O-CB 3.41Å; K505-M507 HydrophobicContact CB-CE 4.08Å; K505-M507 HydrophobicContact CD-CE 3.74Å; K505-M507 HydrophobicContact CG-CE 3.82Å; M507-M511 HydrophobicContact CB-CB 4.28Å; M507-L512 HydrophobicContact CG-CB 4.33Å; M507-L512 HydrophobicContact SD-CB 3.78Å; M507-L512 HydrophobicContact SD-CD1 3.96Å; M507-L512 HydrophobicContact SD-CG 4.42Å; M507-Y525 HydrophobicContact CE-CE1 3.95Å
508	T	92.4	Very high	89.6	Confident	13 Å²	13	36.5 Å²	36.5	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	149.9	167.9	48	0	0	0	0	111	Q463 R466 S491 I492 G510 M511 L512	Q463-T508 VanDerWaalsContact O-CA 3.27Å; Q463-T508 WeakPolarHBondContact O-CA 3.23Å; R466-T508 HydrophobicContact CB-CG2 4.47Å; R466-T508 HydrophobicContact CG-CG2 3.81Å; S491-T508 PolarHBondContact O-N 2.87Å; I492-T508 HydrophobicContact CB-CG2 4.24Å; I492-T508 HydrophobicContact CG2-CG2 3.88Å; T508-G510 PolarHBondContact O-N 2.89Å; T508-G510 VanDerWaalsContact O-N 3.15Å; T508-M511 WeakPolarHBondContact O-CA 3.41Å; T508-M511 WeakPolarHBondContact O-CB 3.5Å; T508-M511 PolarHBondContact O-N 2.96Å; T508-M511 VanDerWaalsContact OG1-CG 3.3Å; T508-M511 WeakPolarHBondContact OG1-CG 3.36Å; T508-L512 PolarHBondContact O-N 3.09Å
509	D	91.4	Very high	89.4	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-48.5	-44.8	176.9	-49.9	-17.4	0	0	0	112.2	T462 Q463 P464 M511 L512 L513 T537 H539 T540 L543	T462-D509 VanDerWaalsContact CB-OD1 3.29Å; T462-D509 WeakPolarHBondContact CB-OD1 3.5Å; T462-D509 PolarHBondContact OG1-OD1 2.82Å; Q463-D509 VanDerWaalsContact C-OD1 3.29Å; Q463-D509 PolarHBondContact N-OD1 3.26Å; Q463-D509 PolarHBondContact O-N 3.27Å; P464-D509 WeakPolarHBondContact CA-OD2 3.23Å; D509-M511 VanDerWaalsContact C-N 3.27Å; D509-M511 PolarHBondContact O-N 2.58Å; D509-L512 PolarHBondContact O-N 2.77Å; D509-L513 PolarHBondContact O-N 3.22Å; D509-T537 PolarHBondContact OD2-OG1 3.2Å; D509-H539 HydrophobicContact CB-CB 3.64Å; D509-T540 VanDerWaalsContact CG-OG1 3.26Å; D509-T540 PolarHBondContact OD2-OG1 2.65Å; D509-L543 HydrophobicContact CB-CD1 3.75Å
510	G	88.9	Confident	89.2	Confident	24 Å²	24	38.9 Å²	38.9	25%	0.247	19%	0.192	C	C	.	.	H	α-helix	trans	-65	-24.6	177.8	0	0	0	0	0	114.6	T508 R514	T508-G510 PolarHBondContact O-N 2.89Å; T508-G510 VanDerWaalsContact O-N 3.15Å; G510-R514 PolarHBondContact O-N 2.86Å; G510-R514 VanDerWaalsContact O-N 3.14Å
511	M	89.9	Confident	89.2	Confident	28 Å²	28	35 Å²	35	14%	0.138	18%	0.177	C	C	.	.	H	α-helix	trans	-77.2	-39	174.1	-73.1	-55.5	-62.7	0	0	111.2	S491 R493 M507 T508 D509 L513 R514 E515	S491-M511 WeakPolarHBondContact OG-CE 3.47Å; R493-M511 HydrophobicContact CB-SD 4.37Å; M507-M511 HydrophobicContact CB-CB 4.28Å; T508-M511 WeakPolarHBondContact O-CA 3.41Å; T508-M511 WeakPolarHBondContact O-CB 3.5Å; T508-M511 PolarHBondContact O-N 2.96Å; T508-M511 VanDerWaalsContact OG1-CG 3.3Å; T508-M511 WeakPolarHBondContact OG1-CG 3.36Å; D509-M511 VanDerWaalsContact C-N 3.27Å; D509-M511 PolarHBondContact O-N 2.58Å; M511-L513 VanDerWaalsContact C-N 3.31Å; M511-L513 PolarHBondContact O-N 3.47Å; M511-R514 WeakPolarHBondContact O-CB 3.37Å; M511-R514 PolarHBondContact O-N 2.88Å; M511-R514 VanDerWaalsContact O-N 3.15Å; M511-E515 PolarHBondContact O-N 3.34Å
512	L	92.3	Very high	89.3	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-42.2	172	-175.7	61.2	0	0	0	110.8	T462 M507 T508 D509 R514 E515 F516 L522 I528 L543 I547	T462-L512 HydrophobicContact CG2-CB 4.02Å; T462-L512 HydrophobicContact CG2-CD2 3.42Å; T462-L512 VanDerWaalsContact CG2-CD2 3.42Å; T462-L512 HydrophobicContact CG2-CG 4.33Å; M507-L512 HydrophobicContact CG-CB 4.33Å; M507-L512 HydrophobicContact SD-CB 3.78Å; M507-L512 HydrophobicContact SD-CD1 3.96Å; M507-L512 HydrophobicContact SD-CG 4.42Å; T508-L512 PolarHBondContact O-N 3.09Å; D509-L512 PolarHBondContact O-N 2.77Å; L512-R514 VanDerWaalsContact C-N 3.26Å; L512-R514 PolarHBondContact O-N 2.9Å; L512-E515 WeakPolarHBondContact O-CB 3.29Å; L512-E515 PolarHBondContact O-N 3.27Å; L512-E515 VanDerWaalsContact O-N 3.08Å; L512-F516 HydrophobicContact CD2-CE2 4.48Å; L512-F516 HydrophobicContact CG-CD2 4.49Å; L512-F516 HydrophobicContact CG-CE2 4Å; L512-F516 VanDerWaalsContact O-CD2 3.22Å; L512-F516 WeakPolarHBondContact O-CD2 3.32Å; L512-F516 PolarHBondContact O-N 3.25Å; L512-F516 VanDerWaalsContact O-N 3.17Å; L512-L522 HydrophobicContact CD1-CD1 4.11Å; L512-L522 HydrophobicContact CD1-CD2 4.19Å; L512-I528 HydrophobicContact CD2-CG2 3.93Å; L512-L543 HydrophobicContact CB-CD1 4.46Å; L512-L543 HydrophobicContact CB-CD2 4.19Å; L512-L543 HydrophobicContact CD2-CD1 4.24Å; L512-L543 HydrophobicContact CD2-CD2 3.85Å; L512-L543 HydrophobicContact CG-CD2 3.89Å; L512-I547 HydrophobicContact CD2-CD1 4.33Å
513	L	89.2	Confident	89.1	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-39.2	172.2	-80.5	178.9	0	0	0	113.6	D509 M511 E515 F516 H539 I542 L543 L546 L777	D509-L513 PolarHBondContact O-N 3.22Å; M511-L513 VanDerWaalsContact C-N 3.31Å; M511-L513 PolarHBondContact O-N 3.47Å; L513-E515 VanDerWaalsContact C-N 3.35Å; L513-F516 WeakPolarHBondContact O-CB 3.46Å; L513-F516 PolarHBondContact O-N 2.82Å; L513-H539 HydrophobicContact CD1-CB 3.57Å; L513-H539 VanDerWaalsContact CD1-ND1 3.27Å; L513-H539 WeakPolarHBondContact CD1-ND1 3.35Å; L513-I542 HydrophobicContact CD1-CB 4.37Å; L513-I542 HydrophobicContact CD1-CD1 4.38Å; L513-I542 HydrophobicContact CD1-CG2 4.49Å; L513-I542 HydrophobicContact CD2-CB 4.21Å; L513-I542 HydrophobicContact CD2-CG2 3.7Å; L513-L543 HydrophobicContact CD1-CG 4.43Å; L513-L543 HydrophobicContact CD2-CD2 3.45Å; L513-L543 VanDerWaalsContact CD2-CD2 3.45Å; L513-L543 HydrophobicContact CD2-CG 3.72Å; L513-L543 HydrophobicContact CG-CD1 4.43Å; L513-L543 HydrophobicContact CG-CD2 3.63Å; L513-L543 HydrophobicContact CG-CG 3.72Å; L513-L546 HydrophobicContact CD2-CD1 3.61Å; L513-L777 HydrophobicContact CB-CD2 4.05Å; L513-L777 HydrophobicContact CD1-CD2 4.07Å; L513-L777 HydrophobicContact CD2-CD2 4.34Å; L513-L777 HydrophobicContact CG-CD2 4.4Å
514	R	85.1	Confident	89	Confident	56 Å²	56	29.8 Å²	29.8	21%	0.211	18%	0.175	C	C	.	.	H	α-helix	trans	-70.7	-33.5	176.8	-171.3	176.8	174.7	91.2	-1.7	111.8	G510 M511 L512 F516 L517 E828 P830	G510-R514 PolarHBondContact O-N 2.86Å; G510-R514 VanDerWaalsContact O-N 3.14Å; M511-R514 WeakPolarHBondContact O-CB 3.37Å; M511-R514 PolarHBondContact O-N 2.88Å; M511-R514 VanDerWaalsContact O-N 3.15Å; L512-R514 VanDerWaalsContact C-N 3.26Å; L512-R514 PolarHBondContact O-N 2.9Å; R514-F516 VanDerWaalsContact C-N 3.29Å; R514-F516 PolarHBondContact O-N 3.11Å; R514-L517 WeakPolarHBondContact O-CB 3.34Å; R514-L517 PolarHBondContact O-N 3.47Å; R514-L517 VanDerWaalsContact O-N 3.15Å; R514-E828 VanDerWaalsContact CZ-O 3.28Å; R514-E828 PolarHBondContact NH1-O 3.17Å; R514-E828 PolarHBondContact NH2-O 3.24Å; R514-P830 VanDerWaalsContact NH1-CB 3.29Å; R514-P830 VanDerWaalsContact NH1-CD 3.35Å
515	E	87.8	Confident	88.9	Confident	34 Å²	34	30 Å²	30	16%	0.159	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-33.9	174.8	-74	-176.9	-162.7	0	0	112.4	K505 M511 L512 L513 L517 T518 E519 Y525	K505-E515 WeakPolarHBondContact CE-OE1 3.2Å; K505-E515 IonicContact NZ-OE1 2.88Å; K505-E515 PolarHBondContact NZ-OE1 3.26Å; M511-E515 PolarHBondContact O-N 3.34Å; L512-E515 WeakPolarHBondContact O-CB 3.29Å; L512-E515 PolarHBondContact O-N 3.27Å; L512-E515 VanDerWaalsContact O-N 3.08Å; L513-E515 VanDerWaalsContact C-N 3.35Å; E515-L517 PolarHBondContact O-N 3.31Å; E515-L517 VanDerWaalsContact O-N 3.15Å; E515-T518 PolarHBondContact O-N 2.92Å; E515-E519 PolarHBondContact O-N 3.48Å; E515-Y525 PolarHBondContact OE1-OH 2.85Å; E515-Y525 WeakPolarHBondContact OE2-CE2 3.27Å; E515-Y525 VanDerWaalsContact OE2-CZ 3.22Å; E515-Y525 PolarHBondContact OE2-OH 3.41Å
516	F	87.3	Confident	88.9	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-27.1	172.3	-78.5	-71.1	0	0	0	113.8	L512 L513 R514 T518 P520 L522 L543 L546 I547 I550 L781	L512-F516 HydrophobicContact CD2-CE2 4.48Å; L512-F516 HydrophobicContact CG-CD2 4.49Å; L512-F516 HydrophobicContact CG-CE2 4Å; L512-F516 VanDerWaalsContact O-CD2 3.22Å; L512-F516 WeakPolarHBondContact O-CD2 3.32Å; L512-F516 PolarHBondContact O-N 3.25Å; L512-F516 VanDerWaalsContact O-N 3.17Å; L513-F516 WeakPolarHBondContact O-CB 3.46Å; L513-F516 PolarHBondContact O-N 2.82Å; R514-F516 VanDerWaalsContact C-N 3.29Å; R514-F516 PolarHBondContact O-N 3.11Å; F516-T518 VanDerWaalsContact C-N 3.3Å; F516-T518 PolarHBondContact O-N 3.12Å; F516-P520 WeakPolarHBondContact O-CA 3.43Å; F516-L522 HydrophobicContact CD1-CD1 4.23Å; F516-L522 HydrophobicContact CD1-CD2 4.18Å; F516-L522 HydrophobicContact CD1-CG 3.94Å; F516-L522 HydrophobicContact CE1-CD1 3.32Å; F516-L522 HydrophobicContact CE1-CD2 4.05Å; F516-L522 HydrophobicContact CE1-CG 3.4Å; F516-L522 VanDerWaalsContact CE1-CG 3.4Å; F516-L522 HydrophobicContact CE2-CD1 3.93Å; F516-L522 HydrophobicContact CZ-CD1 3.21Å; F516-L522 HydrophobicContact CZ-CD2 4.4Å; F516-L522 HydrophobicContact CZ-CG 3.85Å; F516-L543 HydrophobicContact CD2-CD2 4.04Å; F516-L543 HydrophobicContact CE2-CD2 3.47Å; F516-L543 VanDerWaalsContact CE2-CD2 3.47Å; F516-L546 HydrophobicContact CD2-CD1 4.25Å; F516-L546 HydrophobicContact CG-CD1 4.45Å; F516-L546 HydrophobicContact CZ-CB 4.42Å; F516-I547 HydrophobicContact CE2-CG1 4.42Å; F516-I547 HydrophobicContact CZ-CG1 3.85Å; F516-I550 HydrophobicContact CD1-CD1 3.79Å; F516-I550 HydrophobicContact CE1-CD1 3.12Å; F516-I550 HydrophobicContact CZ-CD1 3.99Å; F516-L781 HydrophobicContact CB-CD2 3.67Å; F516-L781 WeakPolarHBondContact O-CD2 2.83Å
517	L	81.3	Confident	88.9	Confident	42 Å²	42	29.2 Å²	29.2	22%	0.22	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-30.1	175	-63.8	173.4	0	0	0	112.7	R514 E515 L777 S780 L781	R514-L517 WeakPolarHBondContact O-CB 3.34Å; R514-L517 PolarHBondContact O-N 3.47Å; R514-L517 VanDerWaalsContact O-N 3.15Å; E515-L517 PolarHBondContact O-N 3.31Å; E515-L517 VanDerWaalsContact O-N 3.15Å; L517-L777 HydrophobicContact CD1-CD1 3.63Å; L517-L777 HydrophobicContact CD2-CD1 3.77Å; L517-L777 HydrophobicContact CG-CD1 3.8Å; L517-S780 WeakPolarHBondContact CD2-OG 3.43Å; L517-L781 HydrophobicContact CD2-CD2 3.79Å; L517-L781 HydrophobicContact CD2-CG 3.98Å; L517-L781 HydrophobicContact CG-CD2 4.41Å
518	T	80.9	Confident	89	Confident	64 Å²	64	29.3 Å²	29.3	39%	0.393	17%	0.173	S	C	.	.	H	α-helix	trans	-94	-44.8	-178.7	-51.7	0	0	0	0	110.9	E515 F516	E515-T518 PolarHBondContact O-N 2.92Å; F516-T518 VanDerWaalsContact C-N 3.3Å; F516-T518 PolarHBondContact O-N 3.12Å
519	E	84.9	Confident	89.2	Confident	78 Å²	78	28.9 Å²	28.9	36%	0.364	17%	0.17	S	C	.	.			trans	-126.3	84.7	-179	-66.3	-171.1	179.8	0	0	110.3	E515 D521 L522 S524	E515-E519 PolarHBondContact O-N 3.48Å; E519-D521 PolarHBondContact O-N 2.86Å; E519-L522 PolarHBondContact O-N 3.49Å; E519-S524 PolarHBondContact OE1-OG 3.33Å; E519-S524 WeakPolarHBondContact OE2-CB 3.2Å; E519-S524 PolarHBondContact OE2-OG 3.25Å
520	P	84.1	Confident	89.3	Confident	61 Å²	61	28.7 Å²	28.7	40%	0.396	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.6	-178.6	24.3	-34.1	0	0	0	113.2	F516 L522 I550	F516-P520 WeakPolarHBondContact O-CA 3.43Å; P520-L522 VanDerWaalsContact C-N 3.35Å; P520-I550 WeakPolarHBondContact O-CD1 3.34Å
521	D	85.1	Confident	89.5	Confident	82 Å²	82	27.6 Å²	27.6	44%	0.439	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.9	-179.1	-55.5	-34.2	0	0	0	113.6	E519 A523 R554	E519-D521 PolarHBondContact O-N 2.86Å; D521-A523 PolarHBondContact O-N 2.88Å; D521-A523 VanDerWaalsContact O-N 3.08Å; D521-R554 WeakPolarHBondContact O-CD 3.39Å
522	L	90	Very high	89.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.			trans	44.8	40.3	-173.8	-66.7	-174.7	0	0	0	114.1	L512 F516 E519 P520 S524 Y525 I528 R554	L512-L522 HydrophobicContact CD1-CD1 4.11Å; L512-L522 HydrophobicContact CD1-CD2 4.19Å; F516-L522 HydrophobicContact CD1-CD1 4.23Å; F516-L522 HydrophobicContact CD1-CD2 4.18Å; F516-L522 HydrophobicContact CD1-CG 3.94Å; F516-L522 HydrophobicContact CE1-CD1 3.32Å; F516-L522 HydrophobicContact CE1-CD2 4.05Å; F516-L522 HydrophobicContact CE1-CG 3.4Å; F516-L522 VanDerWaalsContact CE1-CG 3.4Å; F516-L522 HydrophobicContact CE2-CD1 3.93Å; F516-L522 HydrophobicContact CZ-CD1 3.21Å; F516-L522 HydrophobicContact CZ-CD2 4.4Å; F516-L522 HydrophobicContact CZ-CG 3.85Å; E519-L522 PolarHBondContact O-N 3.49Å; P520-L522 VanDerWaalsContact C-N 3.35Å; L522-S524 PolarHBondContact O-N 3.08Å; L522-Y525 HydrophobicContact CB-CD2 4.16Å; L522-Y525 HydrophobicContact CD2-CD2 4.14Å; L522-Y525 HydrophobicContact CD2-CE2 4.26Å; L522-Y525 PolarHBondContact O-N 2.88Å; L522-I528 HydrophobicContact CD1-CD1 3.22Å; L522-I528 HydrophobicContact CD1-CG1 4.43Å; L522-R554 PolarHBondContact O-NH1 2.87Å
523	A	87.9	Confident	89.1	Confident	73 Å²	73	26.8 Å²	26.8	60%	0.603	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.2	-174.8	0	0	0	0	0	113.5	D521 Y525	D521-A523 PolarHBondContact O-N 2.88Å; D521-A523 VanDerWaalsContact O-N 3.08Å; A523-Y525 VanDerWaalsContact C-N 3.25Å; A523-Y525 PolarHBondContact O-N 2.82Å
524	S	90.2	Very high	88.9	Confident	40 Å²	40	27.7 Å²	27.7	28%	0.28	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.5	175.8	-64.4	0	0	0	0	114.3	K458 E519 L522	K458-S524 PolarHBondContact N-O 3.1Å; E519-S524 PolarHBondContact OE1-OG 3.33Å; E519-S524 WeakPolarHBondContact OE2-CB 3.2Å; E519-S524 PolarHBondContact OE2-OG 3.25Å; L522-S524 PolarHBondContact O-N 3.08Å
525	Y	93.9	Very high	88.6	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.3	-172.6	-61.8	-80.9	0	0	0	112.8	K458 K505 M507 E515 L522 A523 R554	K458-Y525 HydrophobicContact CB-CD1 3.83Å; K458-Y525 HydrophobicContact CB-CE1 3.91Å; K458-Y525 VanDerWaalsContact O-CA 3.3Å; K458-Y525 WeakPolarHBondContact O-CA 3.45Å; K505-Y525 WeakPolarHBondContact CD-OH 3.46Å; M507-Y525 HydrophobicContact CE-CE1 3.95Å; E515-Y525 PolarHBondContact OE1-OH 2.85Å; E515-Y525 WeakPolarHBondContact OE2-CE2 3.27Å; E515-Y525 VanDerWaalsContact OE2-CZ 3.22Å; E515-Y525 PolarHBondContact OE2-OH 3.41Å; L522-Y525 HydrophobicContact CB-CD2 4.16Å; L522-Y525 HydrophobicContact CD2-CD2 4.14Å; L522-Y525 HydrophobicContact CD2-CE2 4.26Å; L522-Y525 PolarHBondContact O-N 2.88Å; A523-Y525 VanDerWaalsContact C-N 3.25Å; A523-Y525 PolarHBondContact O-N 2.82Å; Y525-R554 VanDerWaalsContact O-CZ 3.27Å; Y525-R554 PolarHBondContact O-NH1 3.01Å; Y525-R554 PolarHBondContact O-NH2 3.44Å
526	S	94.6	Very high	88.6	Confident	4 Å²	4	26.5 Å²	26.5	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-33.9	170.6	55.4	0	0	0	0	112.6	Y452 K458 K558	Y452-S526 VanDerWaalsContact O-CB 3.23Å; Y452-S526 WeakPolarHBondContact O-CB 3.42Å; Y452-S526 PolarHBondContact O-OG 2.96Å; K458-S526 PolarHBondContact O-N 3.48Å; K458-S526 PolarHBondContact O-OG 3.18Å; S526-K558 PolarHBondContact O-N 3.1Å
527	V	95.8	Very high	88.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.1	179.1	-169.2	0	0	0	0	109.9	L447 Y452 I459 G460 I529 K558 L560	L447-V527 HydrophobicContact CD1-CB 4.33Å; L447-V527 HydrophobicContact CD1-CG1 3.82Å; L447-V527 HydrophobicContact CD1-CG2 4.42Å; Y452-V527 HydrophobicContact CD1-CG2 3.54Å; Y452-V527 HydrophobicContact CE1-CG2 4.29Å; Y452-V527 HydrophobicContact CG-CG2 3.88Å; I459-V527 WeakPolarHBondContact CA-O 3.45Å; I459-V527 HydrophobicContact CG1-CB 4.27Å; I459-V527 HydrophobicContact CG1-CG2 4.43Å; I459-V527 HydrophobicContact CG2-CB 4.29Å; G460-V527 PolarHBondContact N-O 3.23Å; V527-I529 HydrophobicContact CG1-CG1 4.23Å; V527-K558 WeakPolarHBondContact CA-O 3.49Å; V527-K558 HydrophobicContact CB-CB 4.46Å; V527-K558 HydrophobicContact CG1-CB 4.09Å; V527-K558 HydrophobicContact CG2-CB 4.11Å; V527-L560 HydrophobicContact CG1-CD1 4.25Å; V527-L560 HydrophobicContact CG1-CG 4.21Å
528	I	96	Very high	89.1	Confident	1 Å²	1	26 Å²	26	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	170.7	-61.8	166	0	0	0	108.5	G460 L512 L522 I530 I547 L557 K558 V559 L560	G460-I528 CarbonylContact O-C 3.55Å; G460-I528 WeakPolarHBondContact O-CA 3.43Å; L512-I528 HydrophobicContact CD2-CG2 3.93Å; L522-I528 HydrophobicContact CD1-CD1 3.22Å; L522-I528 HydrophobicContact CD1-CG1 4.43Å; I528-I530 HydrophobicContact CG2-CG1 4.25Å; I528-I547 HydrophobicContact CG2-CD1 4.1Å; I528-L557 HydrophobicContact CD1-CD1 3.98Å; I528-L557 HydrophobicContact CD1-CD2 4.01Å; I528-L557 HydrophobicContact CG1-CD1 4.1Å; I528-K558 PolarHBondContact N-O 3.27Å; I528-V559 WeakPolarHBondContact O-CA 3.34Å; I528-L560 PolarHBondContact O-N 2.85Å
529	I	96	Very high	89.6	Confident	4 Å²	4	26.1 Å²	26.1	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115	177.6	-52.3	173.5	0	0	0	107.1	I443 P444 L447 I459 G460 C461 T462 V527 L560	I443-I529 HydrophobicContact CG2-CD1 4.11Å; P444-I529 HydrophobicContact CB-CD1 4.32Å; P444-I529 HydrophobicContact CG-CD1 3.8Å; L447-I529 HydrophobicContact CD1-CD1 3.88Å; I459-I529 HydrophobicContact CG2-CD1 4.06Å; G460-I529 PolarHBondContact O-N 3.4Å; C461-I529 CarbonylContact C-O 3.56Å; C461-I529 WeakPolarHBondContact CA-O 3.44Å; C461-I529 HydrophobicContact CB-CB 4.35Å; T462-I529 PolarHBondContact N-O 2.95Å; V527-I529 HydrophobicContact CG1-CG1 4.23Å; I529-L560 CarbonylContact C-O 3.38Å; I529-L560 WeakPolarHBondContact CA-O 3.47Å; I529-L560 HydrophobicContact CD1-CD1 4.41Å; I529-L560 HydrophobicContact CG1-CB 4.21Å; I529-L560 HydrophobicContact CG1-CD1 4.11Å; I529-L560 HydrophobicContact CG1-CG 4.43Å; I529-L560 HydrophobicContact CG2-CB 4.31Å
530	I	94.5	Very high	89.9	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	99.9	172.4	-50.6	170.5	0	0	0	107	T462 I528 T540 F544 I547 L560 V561 A562	T462-I530 WeakPolarHBondContact OG1-CA 3.28Å; I528-I530 HydrophobicContact CG2-CG1 4.25Å; I530-T540 HydrophobicContact CG2-CG2 4.09Å; I530-F544 HydrophobicContact CB-CE1 4.17Å; I530-F544 HydrophobicContact CD1-CD1 3.57Å; I530-F544 HydrophobicContact CD1-CE1 3.59Å; I530-F544 HydrophobicContact CG1-CE1 4.49Å; I530-F544 HydrophobicContact CG2-CE1 3.66Å; I530-F544 HydrophobicContact CG2-CZ 4.19Å; I530-I547 HydrophobicContact CD1-CD1 3.53Å; I530-I547 HydrophobicContact CG1-CD1 4.12Å; I530-L560 PolarHBondContact N-O 3.02Å; I530-V561 CarbonylContact O-C 3.59Å; I530-A562 PolarHBondContact O-N 2.6Å
531	D	91.8	Very high	90.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.112	C	C	.	.			trans	-97.8	159.1	-176.5	-167.9	28	0	0	0	112.2	T440 T462 Q463 A533 A562	T440-D531 VanDerWaalsContact CB-OD2 3.25Å; T440-D531 WeakPolarHBondContact CB-OD2 3.2Å; T440-D531 WeakPolarHBondContact CG2-OD2 3.21Å; T440-D531 PolarHBondContact OG1-OD2 3.23Å; T462-D531 WeakPolarHBondContact O-CB 3.29Å; Q463-D531 PolarHBondContact NE2-OD2 3.39Å; D531-A533 PolarHBondContact O-N 3Å; D531-A562 HydrophobicContact CB-CB 4.33Å; D531-A562 WeakPolarHBondContact OD1-CB 3.48Å
532	E	87.7	Confident	90.5	Very high	13 Å²	13	15.7 Å²	15.7	6%	0.061	9%	0.091	C	C	.	.	S	Bend	trans	53.3	35.2	-174.8	-58.7	-76.9	134	0	0	112.5	P464 H534 E535 A562	P464-E532 HydrophobicContact CG-CB 3.77Å; E532-H534 PolarHBondContact O-N 3.4Å; E532-H534 IonicContact OE2-CE1 2.72Å; E532-H534 PolarHBondContact OE2-CE1 3.07Å; E532-H534 IonicContact OE2-NE2 3.98Å; E532-H534 PolarHBondContact OE2-NE2 3.01Å; E532-E535 PolarHBondContact O-N 3.2Å; E532-A562 PolarHBondContact N-O 3.18Å; E532-A562 VanDerWaalsContact N-O 3.13Å
533	A	87.3	Confident	90.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-53.4	-21.7	-178.2	0	0	0	0	0	114.6	D531 E535 R536 F544 V561 A562 F571	D531-A533 PolarHBondContact O-N 3Å; A533-E535 VanDerWaalsContact C-N 3.3Å; A533-E535 PolarHBondContact O-N 3.45Å; A533-R536 WeakPolarHBondContact O-CD 3.27Å; A533-R536 PolarHBondContact O-N 3.11Å; A533-F544 HydrophobicContact CB-CZ 3.8Å; A533-V561 HydrophobicContact CB-CG1 3.69Å; A533-A562 WeakPolarHBondContact CB-O 3.47Å; A533-A562 PolarHBondContact N-O 3.41Å; A533-F571 HydrophobicContact CB-CE1 4.1Å; A533-F571 HydrophobicContact CB-CZ 4.06Å
534	H	84.4	Confident	90.8	Very high	20 Å²	20	12.2 Å²	12.2	9%	0.093	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-72.4	-15.6	176.3	65.3	-86.9	0	0	0	114.5	E532 R536 A564 T565 T690 Q732	E532-H534 PolarHBondContact O-N 3.4Å; E532-H534 IonicContact OE2-CE1 2.72Å; E532-H534 PolarHBondContact OE2-CE1 3.07Å; E532-H534 IonicContact OE2-NE2 3.98Å; E532-H534 PolarHBondContact OE2-NE2 3.01Å; H534-R536 PolarHBondContact O-N 3.05Å; H534-A564 PolarHBondContact ND1-N 3.17Å; H534-T565 HydrophobicContact CB-CG2 3.68Å; H534-T565 WeakPolarHBondContact CB-OG1 3.36Å; H534-T690 WeakPolarHBondContact NE2-CG2 3.36Å; H534-Q732 PolarHBondContact CD2-NE2 3.17Å; H534-Q732 PolarHBondContact NE2-NE2 2.95Å; H534-Q732 VanDerWaalsContact NE2-NE2 3.19Å
535	E	79.9	Confident	90.9	Very high	46 Å²	46	10.3 Å²	10.3	22%	0.215	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-67.9	-18.7	172.1	-69.2	-157.3	167.1	0	0	111.7	P464 R465 E532 A533 T537 T690 S691	P464-E535 HydrophobicContact CB-CB 4.48Å; P464-E535 WeakPolarHBondContact CB-OE2 3.29Å; P464-E535 HydrophobicContact CG-CB 4.33Å; P464-E535 HydrophobicContact CG-CG 4.19Å; P464-E535 VanDerWaalsContact CG-OE2 3.23Å; P464-E535 WeakPolarHBondContact CG-OE2 3.34Å; R465-E535 IonicContact CZ-OE1 3.2Å; R465-E535 VanDerWaalsContact CZ-OE1 3.32Å; R465-E535 IonicContact NE-OE1 2.62Å; R465-E535 PolarHBondContact NE-OE1 2.8Å; R465-E535 IonicContact NE-OE2 2.65Å; R465-E535 PolarHBondContact NE-OE2 3.48Å; R465-E535 IonicContact NH2-OE1 2.86Å; R465-E535 PolarHBondContact NH2-OE1 3.29Å; R465-E535 IonicContact NH2-OE2 3.33Å; E532-E535 PolarHBondContact O-N 3.2Å; A533-E535 VanDerWaalsContact C-N 3.3Å; A533-E535 PolarHBondContact O-N 3.45Å; E535-T537 VanDerWaalsContact C-N 3.26Å; E535-T537 HydrophobicContact CB-CG2 4.1Å; E535-T537 PolarHBondContact O-N 3.26Å; E535-T690 WeakPolarHBondContact OE1-CB 3.43Å; E535-T690 PolarHBondContact OE1-OG1 2.94Å; E535-S691 PolarHBondContact OE1-OG 3.06Å
536	R	87.6	Confident	90.7	Very high	19 Å²	19	10.8 Å²	10.8	7%	0.072	5%	0.052	C	C	.	.			trans	45.5	49.9	175.8	-63.3	-65	-56.3	-76.9	-9.8	112.4	A533 H534 D541 P764 E765 M792 D793	A533-R536 WeakPolarHBondContact O-CD 3.27Å; A533-R536 PolarHBondContact O-N 3.11Å; H534-R536 PolarHBondContact O-N 3.05Å; R536-D541 IonicContact CZ-OD1 2.71Å; R536-D541 IonicContact CZ-OD2 3.11Å; R536-D541 IonicContact NE-OD1 2.58Å; R536-D541 PolarHBondContact NE-OD1 3.28Å; R536-D541 IonicContact NE-OD2 3.79Å; R536-D541 IonicContact NH2-OD1 3.64Å; R536-D541 PolarHBondContact NH2-OD1 3.41Å; R536-D541 IonicContact NH2-OD2 2.93Å; R536-D541 PolarHBondContact NH2-OD2 3.38Å; R536-P764 HydrophobicContact CB-CB 4.08Å; R536-E765 PolarHBondContact O-N 3.09Å; R536-E765 VanDerWaalsContact O-N 3.16Å; R536-M792 PolarHBondContact NH1-SD 2.9Å; R536-M792 VanDerWaalsContact NH1-SD 3.38Å; R536-D793 IonicContact CZ-OD2 2.78Å; R536-D793 VanDerWaalsContact CZ-OD2 3.26Å; R536-D793 IonicContact NH1-OD2 3.61Å; R536-D793 PolarHBondContact NH1-OD2 3.48Å; R536-D793 IonicContact NH2-OD2 3.45Å; R536-D793 PolarHBondContact NH2-OD2 2.94Å
537	T	88.8	Confident	90.6	Very high	18 Å²	18	10.7 Å²	10.7	11%	0.11	5%	0.051	C	C	.	.			trans	-68.1	155.7	177.2	70.4	0	0	0	0	110.4	P464 D509 E535 H539 T540 D541 E765	P464-T537 HydrophobicContact CB-CG2 3.63Å; D509-T537 PolarHBondContact OD2-OG1 3.2Å; E535-T537 VanDerWaalsContact C-N 3.26Å; E535-T537 HydrophobicContact CB-CG2 4.1Å; E535-T537 PolarHBondContact O-N 3.26Å; T537-H539 PolarHBondContact O-N 3.09Å; T537-T540 PolarHBondContact O-N 3.41Å; T537-T540 VanDerWaalsContact O-N 3.15Å; T537-T540 VanDerWaalsContact OG1-CB 3.29Å; T537-T540 WeakPolarHBondContact OG1-CB 3.41Å; T537-T540 PolarHBondContact OG1-N 2.98Å; T537-T540 VanDerWaalsContact OG1-N 3.14Å; T537-T540 PolarHBondContact OG1-OG1 2.89Å; T537-T540 VanDerWaalsContact OG1-OG1 3.1Å; T537-D541 PolarHBondContact O-N 2.73Å; T537-D541 VanDerWaalsContact O-N 3.07Å; T537-E765 WeakPolarHBondContact CA-OE2 3.43Å
538	L	89.4	Confident	90.4	Very high	19 Å²	19	11.6 Å²	11.6	10%	0.099	6%	0.055	C	C	.	.	H	α-helix	trans	-53.7	-42.4	178.4	178.9	67.4	0	0	0	111.5	I542 E765 I766 L771 V774	L538-I542 HydrophobicContact CG-CD1 4.29Å; L538-I542 WeakPolarHBondContact O-CD1 3.49Å; L538-I542 VanDerWaalsContact O-CG1 3.29Å; L538-I542 WeakPolarHBondContact O-CG1 3.36Å; L538-I542 PolarHBondContact O-N 3.22Å; L538-E765 HydrophobicContact CB-CB 4.4Å; L538-E765 HydrophobicContact CB-CG 4.15Å; L538-E765 PolarHBondContact N-OE2 3.39Å; L538-I766 HydrophobicContact CD1-CB 3.86Å; L538-I766 HydrophobicContact CD1-CD1 4.45Å; L538-I766 HydrophobicContact CD1-CG1 3.74Å; L538-L771 HydrophobicContact CD1-CD2 3.75Å; L538-V774 HydrophobicContact CD1-CG2 3.95Å; L538-V774 HydrophobicContact CD2-CG2 3.45Å; L538-V774 VanDerWaalsContact CD2-CG2 3.45Å; L538-V774 HydrophobicContact CG-CG2 3.66Å
539	H	90.9	Very high	90.1	Very high	65 Å²	65	15 Å²	15	30%	0.301	7%	0.074	S	C	.	.	H	α-helix	trans	-71.3	-40.5	-179.3	-65.8	-51.3	0	0	0	112.6	D509 L513 T537 I542 L543	D509-H539 HydrophobicContact CB-CB 3.64Å; L513-H539 HydrophobicContact CD1-CB 3.57Å; L513-H539 VanDerWaalsContact CD1-ND1 3.27Å; L513-H539 WeakPolarHBondContact CD1-ND1 3.35Å; T537-H539 PolarHBondContact O-N 3.09Å; H539-I542 PolarHBondContact O-N 3.16Å; H539-L543 WeakPolarHBondContact O-CB 3.31Å; H539-L543 VanDerWaalsContact O-CG 3.25Å; H539-L543 WeakPolarHBondContact O-CG 3.37Å; H539-L543 PolarHBondContact O-N 3.25Å
540	T	91.6	Very high	89.9	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-43	177.1	-75.4	0	0	0	0	111.8	D509 I530 T537 I542 L543 F544	D509-T540 VanDerWaalsContact CG-OG1 3.26Å; D509-T540 PolarHBondContact OD2-OG1 2.65Å; I530-T540 HydrophobicContact CG2-CG2 4.09Å; T537-T540 PolarHBondContact O-N 3.41Å; T537-T540 VanDerWaalsContact O-N 3.15Å; T537-T540 VanDerWaalsContact OG1-CB 3.29Å; T537-T540 WeakPolarHBondContact OG1-CB 3.41Å; T537-T540 PolarHBondContact OG1-N 2.98Å; T537-T540 VanDerWaalsContact OG1-N 3.14Å; T537-T540 PolarHBondContact OG1-OG1 2.89Å; T537-T540 VanDerWaalsContact OG1-OG1 3.1Å; T540-I542 VanDerWaalsContact C-N 3.33Å; T540-I542 PolarHBondContact O-N 3.01Å; T540-L543 WeakPolarHBondContact O-CB 3.36Å; T540-L543 PolarHBondContact O-N 3.36Å; T540-F544 HydrophobicContact CG2-CD2 4.14Å; T540-F544 HydrophobicContact CG2-CE1 3.92Å; T540-F544 HydrophobicContact CG2-CE2 3.41Å; T540-F544 VanDerWaalsContact CG2-CE2 3.41Å; T540-F544 HydrophobicContact CG2-CZ 3.28Å; T540-F544 WeakPolarHBondContact O-CG 3.34Å; T540-F544 PolarHBondContact O-N 3.31Å
541	D	90.9	Very high	89.7	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-36.7	-179.9	-82	15.6	0	0	0	112.4	R536 T537 F544 G545	R536-D541 IonicContact CZ-OD1 2.71Å; R536-D541 IonicContact CZ-OD2 3.11Å; R536-D541 IonicContact NE-OD1 2.58Å; R536-D541 PolarHBondContact NE-OD1 3.28Å; R536-D541 IonicContact NE-OD2 3.79Å; R536-D541 IonicContact NH2-OD1 3.64Å; R536-D541 PolarHBondContact NH2-OD1 3.41Å; R536-D541 IonicContact NH2-OD2 2.93Å; R536-D541 PolarHBondContact NH2-OD2 3.38Å; T537-D541 PolarHBondContact O-N 2.73Å; T537-D541 VanDerWaalsContact O-N 3.07Å; D541-F544 PolarHBondContact O-N 2.89Å; D541-G545 PolarHBondContact O-N 3.5Å
542	I	91.3	Very high	89.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.1	-42.5	173.8	-61.7	156.4	0	0	0	110.6	L513 L538 H539 T540 F544 G545 L546 V774 L778	L513-I542 HydrophobicContact CD1-CB 4.37Å; L513-I542 HydrophobicContact CD1-CD1 4.38Å; L513-I542 HydrophobicContact CD1-CG2 4.49Å; L513-I542 HydrophobicContact CD2-CB 4.21Å; L513-I542 HydrophobicContact CD2-CG2 3.7Å; L538-I542 HydrophobicContact CG-CD1 4.29Å; L538-I542 WeakPolarHBondContact O-CD1 3.49Å; L538-I542 VanDerWaalsContact O-CG1 3.29Å; L538-I542 WeakPolarHBondContact O-CG1 3.36Å; L538-I542 PolarHBondContact O-N 3.22Å; H539-I542 PolarHBondContact O-N 3.16Å; T540-I542 VanDerWaalsContact C-N 3.33Å; T540-I542 PolarHBondContact O-N 3.01Å; I542-F544 VanDerWaalsContact C-N 3.25Å; I542-F544 PolarHBondContact O-N 3.14Å; I542-G545 PolarHBondContact O-N 3Å; I542-L546 HydrophobicContact CG2-CD1 3.89Å; I542-L546 HydrophobicContact CG2-CG 4.27Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 2.87Å; I542-L546 VanDerWaalsContact O-N 3.08Å; I542-V774 HydrophobicContact CD1-CB 3.97Å; I542-V774 HydrophobicContact CD1-CG1 3.31Å; I542-V774 HydrophobicContact CD1-CG2 3.45Å; I542-V774 VanDerWaalsContact CD1-CG2 3.45Å; I542-V774 HydrophobicContact CG1-CG1 3.95Å; I542-L778 HydrophobicContact CG2-CD2 3.8Å
543	L	92.1	Very high	89.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-39.5	176.7	-76.2	172.7	0	0	0	111.5	D509 L512 L513 F516 H539 T540 G545 L546 I547	D509-L543 HydrophobicContact CB-CD1 3.75Å; L512-L543 HydrophobicContact CB-CD1 4.46Å; L512-L543 HydrophobicContact CB-CD2 4.19Å; L512-L543 HydrophobicContact CD2-CD1 4.24Å; L512-L543 HydrophobicContact CD2-CD2 3.85Å; L512-L543 HydrophobicContact CG-CD2 3.89Å; L513-L543 HydrophobicContact CD1-CG 4.43Å; L513-L543 HydrophobicContact CD2-CD2 3.45Å; L513-L543 VanDerWaalsContact CD2-CD2 3.45Å; L513-L543 HydrophobicContact CD2-CG 3.72Å; L513-L543 HydrophobicContact CG-CD1 4.43Å; L513-L543 HydrophobicContact CG-CD2 3.63Å; L513-L543 HydrophobicContact CG-CG 3.72Å; F516-L543 HydrophobicContact CD2-CD2 4.04Å; F516-L543 HydrophobicContact CE2-CD2 3.47Å; F516-L543 VanDerWaalsContact CE2-CD2 3.47Å; H539-L543 WeakPolarHBondContact O-CB 3.31Å; H539-L543 VanDerWaalsContact O-CG 3.25Å; H539-L543 WeakPolarHBondContact O-CG 3.37Å; H539-L543 PolarHBondContact O-N 3.25Å; T540-L543 WeakPolarHBondContact O-CB 3.36Å; T540-L543 PolarHBondContact O-N 3.36Å; L543-G545 PolarHBondContact O-N 3.24Å; L543-L546 PolarHBondContact O-N 3.36Å; L543-I547 HydrophobicContact CB-CD1 4.14Å; L543-I547 HydrophobicContact CD2-CD1 4.37Å; L543-I547 WeakPolarHBondContact O-CB 3.39Å; L543-I547 WeakPolarHBondContact O-CG1 3.2Å; L543-I547 PolarHBondContact O-N 2.87Å
544	F	92.5	Very high	89.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-46.5	177.4	-67.8	-31.8	0	0	0	112.7	I530 A533 T540 D541 I542 K548 V561 F571 F574 F575 M792	I530-F544 HydrophobicContact CB-CE1 4.17Å; I530-F544 HydrophobicContact CD1-CD1 3.57Å; I530-F544 HydrophobicContact CD1-CE1 3.59Å; I530-F544 HydrophobicContact CG1-CE1 4.49Å; I530-F544 HydrophobicContact CG2-CE1 3.66Å; I530-F544 HydrophobicContact CG2-CZ 4.19Å; A533-F544 HydrophobicContact CB-CZ 3.8Å; T540-F544 HydrophobicContact CG2-CD2 4.14Å; T540-F544 HydrophobicContact CG2-CE1 3.92Å; T540-F544 HydrophobicContact CG2-CE2 3.41Å; T540-F544 VanDerWaalsContact CG2-CE2 3.41Å; T540-F544 HydrophobicContact CG2-CZ 3.28Å; T540-F544 WeakPolarHBondContact O-CG 3.34Å; T540-F544 PolarHBondContact O-N 3.31Å; D541-F544 PolarHBondContact O-N 2.89Å; I542-F544 VanDerWaalsContact C-N 3.25Å; I542-F544 PolarHBondContact O-N 3.14Å; F544-K548 VanDerWaalsContact O-CB 3.23Å; F544-K548 WeakPolarHBondContact O-CB 3.4Å; F544-K548 PolarHBondContact O-N 3.28Å; F544-V561 HydrophobicContact CE1-CG1 4.03Å; F544-V561 HydrophobicContact CE1-CG2 4.43Å; F544-V561 HydrophobicContact CZ-CG1 4.25Å; F544-F571 HydrophobicContact CE2-CD1 4.29Å; F544-F571 AromaticContact CE2-CE1 3.7Å; F544-F571 HydrophobicContact CE2-CE1 3.7Å; F544-F571 HydrophobicContact CZ-CD1 4.29Å; F544-F571 AromaticContact CZ-CE1 3.83Å; F544-F571 HydrophobicContact CZ-CE1 3.83Å; F544-F574 HydrophobicContact CB-CD1 4.46Å; F544-F574 HydrophobicContact CB-CE1 3.68Å; F544-F574 HydrophobicContact CB-CZ 4.12Å; F544-F575 HydrophobicContact CB-CZ 4Å; F544-F575 AromaticContact CD1-CE2 3.97Å; F544-F575 HydrophobicContact CD1-CE2 3.97Å; F544-F575 AromaticContact CD1-CZ 3.59Å; F544-F575 HydrophobicContact CD1-CZ 3.59Å; F544-F575 HydrophobicContact CE1-CE2 4.33Å; F544-F575 HydrophobicContact CE1-CZ 4.32Å; F544-F575 HydrophobicContact CG-CE2 4.35Å; F544-F575 HydrophobicContact CG-CZ 4.01Å; F544-M792 HydrophobicContact CD2-CE 3.87Å; F544-M792 HydrophobicContact CE2-CE 4.11Å
545	G	90.9	Very high	90.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-48.6	176.7	0	0	0	0	0	112	D541 I542 L543 I547 K548 D549	D541-G545 PolarHBondContact O-N 3.5Å; I542-G545 PolarHBondContact O-N 3Å; L543-G545 PolarHBondContact O-N 3.24Å; G545-I547 PolarHBondContact O-N 3.49Å; G545-K548 PolarHBondContact O-N 2.84Å; G545-D549 PolarHBondContact O-N 2.89Å
546	L	91.3	Very high	90.6	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-45.2	180	-65.6	175.1	0	0	0	112.7	L513 F516 I542 L543 K548 D549 I550 L781 I783 F789	L513-L546 HydrophobicContact CD2-CD1 3.61Å; F516-L546 HydrophobicContact CD2-CD1 4.25Å; F516-L546 HydrophobicContact CG-CD1 4.45Å; F516-L546 HydrophobicContact CZ-CB 4.42Å; I542-L546 HydrophobicContact CG2-CD1 3.89Å; I542-L546 HydrophobicContact CG2-CG 4.27Å; I542-L546 WeakPolarHBondContact O-CG 3.49Å; I542-L546 PolarHBondContact O-N 2.87Å; I542-L546 VanDerWaalsContact O-N 3.08Å; L543-L546 PolarHBondContact O-N 3.36Å; L546-K548 VanDerWaalsContact C-N 3.33Å; L546-D549 PolarHBondContact O-N 3.43Å; L546-I550 WeakPolarHBondContact O-CG1 3.19Å; L546-I550 PolarHBondContact O-N 3.29Å; L546-L781 HydrophobicContact CD1-CD1 3.64Å; L546-L781 HydrophobicContact CD2-CD1 4.01Å; L546-L781 HydrophobicContact CG-CD1 4.5Å; L546-I783 HydrophobicContact CD2-CD1 3.49Å; L546-I783 VanDerWaalsContact CD2-CD1 3.49Å; L546-F789 HydrophobicContact CD2-CE2 4.19Å; L546-F789 HydrophobicContact CD2-CZ 4.25Å; L546-F789 HydrophobicContact CG-CZ 4.29Å
547	I	92.3	Very high	90.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-70	-33.6	-177.9	-70.1	168.4	0	0	0	110.6	L512 F516 I528 I530 L543 G545 D549 I550 A551 V559	L512-I547 HydrophobicContact CD2-CD1 4.33Å; F516-I547 HydrophobicContact CE2-CG1 4.42Å; F516-I547 HydrophobicContact CZ-CG1 3.85Å; I528-I547 HydrophobicContact CG2-CD1 4.1Å; I530-I547 HydrophobicContact CD1-CD1 3.53Å; I530-I547 HydrophobicContact CG1-CD1 4.12Å; L543-I547 HydrophobicContact CB-CD1 4.14Å; L543-I547 HydrophobicContact CD2-CD1 4.37Å; L543-I547 WeakPolarHBondContact O-CB 3.39Å; L543-I547 WeakPolarHBondContact O-CG1 3.2Å; L543-I547 PolarHBondContact O-N 2.87Å; G545-I547 PolarHBondContact O-N 3.49Å; I547-D549 VanDerWaalsContact C-N 3.35Å; I547-I550 PolarHBondContact O-N 3Å; I547-A551 VanDerWaalsContact O-CB 3.26Å; I547-A551 WeakPolarHBondContact O-CB 3.47Å; I547-A551 PolarHBondContact O-N 3.45Å; I547-V559 HydrophobicContact CG2-CB 4.26Å; I547-V559 HydrophobicContact CG2-CG1 3.67Å; I547-V559 HydrophobicContact CG2-CG2 3.55Å
548	K	91.3	Very high	91.2	Very high	19 Å²	19	35.9 Å²	35.9	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-44.8	174.1	-176	174.5	178.6	174.5	0	111.5	F544 G545 L546 R552 F574 F575 D576	F544-K548 VanDerWaalsContact O-CB 3.23Å; F544-K548 WeakPolarHBondContact O-CB 3.4Å; F544-K548 PolarHBondContact O-N 3.28Å; G545-K548 PolarHBondContact O-N 2.84Å; L546-K548 VanDerWaalsContact C-N 3.33Å; K548-R552 WeakPolarHBondContact O-CG 3.41Å; K548-R552 PolarHBondContact O-N 2.89Å; K548-F574 HydrophobicContact CB-CE1 4.43Å; K548-F574 HydrophobicContact CD-CE1 3.99Å; K548-F574 HydrophobicContact CD-CZ 4.15Å; K548-F574 WeakPolarHBondContact CE-O 3.25Å; K548-F574 PolarHBondContact NZ-O 2.78Å; K548-F575 HydrophobicContact CB-CD1 4.46Å; K548-F575 HydrophobicContact CB-CE1 4.18Å; K548-D576 VanDerWaalsContact CE-OD1 3.31Å; K548-D576 WeakPolarHBondContact CE-OD1 3.11Å; K548-D576 WeakPolarHBondContact CE-OD2 3.29Å; K548-D576 IonicContact NZ-OD1 3.51Å; K548-D576 PolarHBondContact NZ-OD1 3.44Å; K548-D576 IonicContact NZ-OD2 2.96Å
549	D	89.7	Confident	91.5	Very high	73 Å²	73	35 Å²	35	39%	0.39	17%	0.169	S	C	.	.	H	α-helix	trans	-66.4	-39.1	176.8	-74.8	-21.4	0	0	0	112.3	G545 L546 I547 R552 F553	G545-D549 PolarHBondContact O-N 2.89Å; L546-D549 PolarHBondContact O-N 3.43Å; I547-D549 VanDerWaalsContact C-N 3.35Å; D549-R552 WeakPolarHBondContact O-CB 3.2Å; D549-R552 PolarHBondContact O-N 2.62Å; D549-R552 IonicContact OD1-NH1 3.56Å; D549-F553 PolarHBondContact O-N 3.5Å
550	I	90.8	Very high	91.7	Very high	23 Å²	23	32 Å²	32	12%	0.118	16%	0.155	C	C	.	.	H	α-helix	trans	-73.8	-35.9	-179.7	-69.3	167.4	0	0	0	111.9	F516 P520 L546 I547 R552 F553 R554 L557	F516-I550 HydrophobicContact CD1-CD1 3.79Å; F516-I550 HydrophobicContact CE1-CD1 3.12Å; F516-I550 HydrophobicContact CZ-CD1 3.99Å; P520-I550 WeakPolarHBondContact O-CD1 3.34Å; L546-I550 WeakPolarHBondContact O-CG1 3.19Å; L546-I550 PolarHBondContact O-N 3.29Å; I547-I550 PolarHBondContact O-N 3Å; I550-R552 PolarHBondContact O-N 2.81Å; I550-F553 CarbonylContact O-C 3.56Å; I550-F553 PolarHBondContact O-N 2.88Å; I550-R554 HydrophobicContact CG2-CB 4.47Å; I550-R554 PolarHBondContact O-N 3.2Å; I550-L557 HydrophobicContact CG2-CD2 3.91Å
551	A	91.4	Very high	91.8	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-33.8	173.8	0	0	0	0	0	111.4	Q427 I428 I547 R554	Q427-A551 PolarHBondContact NE2-O 3.26Å; I428-A551 HydrophobicContact CD1-CB 4.01Å; I428-A551 HydrophobicContact CG1-CB 4.47Å; I547-A551 VanDerWaalsContact O-CB 3.26Å; I547-A551 WeakPolarHBondContact O-CB 3.47Å; I547-A551 PolarHBondContact O-N 3.45Å; A551-R554 CarbonylContact O-C 3.57Å
552	R	89.9	Confident	91.8	Very high	140 Å²	140	31.9 Å²	31.9	53%	0.528	16%	0.155	S	C	.	.	H	α-helix	trans	-68.1	-33.4	173.4	-66.7	169.4	173.1	171.5	-4.7	112.7	K548 D549 I550 D576	K548-R552 WeakPolarHBondContact O-CG 3.41Å; K548-R552 PolarHBondContact O-N 2.89Å; D549-R552 WeakPolarHBondContact O-CB 3.2Å; D549-R552 PolarHBondContact O-N 2.62Å; D549-R552 IonicContact OD1-NH1 3.56Å; I550-R552 PolarHBondContact O-N 2.81Å; R552-D576 IonicContact CZ-OD2 3.43Å; R552-D576 IonicContact NE-OD2 3.31Å; R552-D576 IonicContact NH2-OD1 2.79Å; R552-D576 IonicContact NH2-OD2 2.99Å; R552-D576 PolarHBondContact NH2-OD2 3.46Å
553	F	89.6	Confident	91.6	Very high	148 Å²	148	31.9 Å²	31.9	65%	0.649	16%	0.155	S	C	*	.	H	α-helix	trans	-83.6	-36.2	179.4	-173.8	-104.3	0	0	0	113.4	D549 I550 P555	D549-F553 PolarHBondContact O-N 3.5Å; I550-F553 CarbonylContact O-C 3.56Å; I550-F553 PolarHBondContact O-N 2.88Å; F553-P555 VanDerWaalsContact O-CD 3.3Å; F553-P555 WeakPolarHBondContact O-CD 3.28Å
554	R	91.2	Very high	90.9	Very high	22 Å²	22	32.8 Å²	32.8	8%	0.083	16%	0.163	C	C	.	.			trans	-113.3	87.3	-178	-105.7	-161.3	66.2	-164.8	-2.8	110.8	Q427 D521 L522 Y525 I550 A551 D556 L557	Q427-R554 PolarHBondContact NE2-O 2.96Å; D521-R554 WeakPolarHBondContact O-CD 3.39Å; L522-R554 PolarHBondContact O-NH1 2.87Å; Y525-R554 VanDerWaalsContact O-CZ 3.27Å; Y525-R554 PolarHBondContact O-NH1 3.01Å; Y525-R554 PolarHBondContact O-NH2 3.44Å; I550-R554 HydrophobicContact CG2-CB 4.47Å; I550-R554 PolarHBondContact O-N 3.2Å; A551-R554 CarbonylContact O-C 3.57Å; R554-D556 WeakPolarHBondContact CB-OD1 3.44Å; R554-D556 VanDerWaalsContact CG-OD1 3.25Å; R554-D556 WeakPolarHBondContact CG-OD1 3.37Å; R554-D556 IonicContact CZ-OD1 3.26Å; R554-D556 IonicContact CZ-OD2 3.58Å; R554-D556 VanDerWaalsContact NE-CG 3.28Å; R554-D556 IonicContact NE-OD1 2.89Å; R554-D556 PolarHBondContact NE-OD1 2.85Å; R554-D556 IonicContact NE-OD2 3.5Å; R554-D556 PolarHBondContact NE-OD2 3.5Å; R554-D556 IonicContact NH2-OD1 2.71Å; R554-D556 IonicContact NH2-OD2 3.58Å; R554-D556 PolarHBondContact NH2-OD2 3.38Å; R554-D556 PolarHBondContact O-N 3.28Å; R554-L557 HydrophobicContact CB-CB 4.02Å; R554-L557 WeakPolarHBondContact O-CB 3.45Å; R554-L557 PolarHBondContact O-N 2.95Å; R554-L557 VanDerWaalsContact O-N 3.15Å
555	P	88.6	Confident	89.8	Confident	99 Å²	99	34 Å²	34	64%	0.643	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.2	178.2	28	-35.3	0	0	0	113.3	F553	F553-P555 VanDerWaalsContact O-CD 3.3Å; F553-P555 WeakPolarHBondContact O-CD 3.28Å
556	D	90.6	Very high	88.2	Confident	92 Å²	92	40.8 Å²	40.8	49%	0.492	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-20.1	176.1	67.4	-58.8	0	0	0	113.2	R554	R554-D556 WeakPolarHBondContact CB-OD1 3.44Å; R554-D556 VanDerWaalsContact CG-OD1 3.25Å; R554-D556 WeakPolarHBondContact CG-OD1 3.37Å; R554-D556 IonicContact CZ-OD1 3.26Å; R554-D556 IonicContact CZ-OD2 3.58Å; R554-D556 VanDerWaalsContact NE-CG 3.28Å; R554-D556 IonicContact NE-OD1 2.89Å; R554-D556 PolarHBondContact NE-OD1 2.85Å; R554-D556 IonicContact NE-OD2 3.5Å; R554-D556 PolarHBondContact NE-OD2 3.5Å; R554-D556 IonicContact NH2-OD1 2.71Å; R554-D556 IonicContact NH2-OD2 3.58Å; R554-D556 PolarHBondContact NH2-OD2 3.38Å; R554-D556 PolarHBondContact O-N 3.28Å
557	L	93.7	Very high	87.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.			trans	-75.1	125.8	177	-177.2	64.3	0	0	0	110.3	Q427 I528 I550 R554 V559	Q427-L557 WeakPolarHBondContact CG-O 3.25Å; Q427-L557 PolarHBondContact NE2-O 3.24Å; I528-L557 HydrophobicContact CD1-CD1 3.98Å; I528-L557 HydrophobicContact CD1-CD2 4.01Å; I528-L557 HydrophobicContact CG1-CD1 4.1Å; I550-L557 HydrophobicContact CG2-CD2 3.91Å; R554-L557 HydrophobicContact CB-CB 4.02Å; R554-L557 WeakPolarHBondContact O-CB 3.45Å; R554-L557 PolarHBondContact O-N 2.95Å; R554-L557 VanDerWaalsContact O-N 3.15Å; L557-V559 HydrophobicContact CD2-CG2 4.28Å; L557-V559 HydrophobicContact CG-CG2 4.23Å
558	K	95.1	Very high	86.4	Confident	32 Å²	32	41.8 Å²	41.8	14%	0.139	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.1	169.8	-60.9	-64.2	-168.6	162.2	0	110.8	I423 T424 H426 Q427 Y452 S526 V527 I528	I423-K558 VanDerWaalsContact O-CE 3.23Å; I423-K558 WeakPolarHBondContact O-CE 3.47Å; I423-K558 PolarHBondContact O-NZ 2.94Å; T424-K558 PolarHBondContact O-NZ 3.43Å; H426-K558 PolarHBondContact O-NZ 3.35Å; Q427-K558 WeakPolarHBondContact O-CA 3.34Å; Y452-K558 HydrophobicContact CE1-CG 4.05Å; S526-K558 PolarHBondContact O-N 3.1Å; V527-K558 WeakPolarHBondContact CA-O 3.49Å; V527-K558 HydrophobicContact CB-CB 4.46Å; V527-K558 HydrophobicContact CG1-CB 4.09Å; V527-K558 HydrophobicContact CG2-CB 4.11Å; I528-K558 PolarHBondContact N-O 3.27Å
559	V	95.7	Very high	86	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.8	-179.5	-177.4	0	0	0	0	109.5	Q427 I428 L429 I528 I547 L557 V561	Q427-V559 PolarHBondContact O-N 2.87Å; I428-V559 VanDerWaalsContact CA-O 3.3Å; I428-V559 WeakPolarHBondContact CA-O 3.33Å; I428-V559 HydrophobicContact CG1-CB 4.23Å; I428-V559 HydrophobicContact CG2-CB 4.37Å; I428-V559 HydrophobicContact CG2-CG1 4.5Å; L429-V559 PolarHBondContact N-O 2.82Å; I528-V559 WeakPolarHBondContact O-CA 3.34Å; I547-V559 HydrophobicContact CG2-CB 4.26Å; I547-V559 HydrophobicContact CG2-CG1 3.67Å; I547-V559 HydrophobicContact CG2-CG2 3.55Å; L557-V559 HydrophobicContact CD2-CG2 4.28Å; L557-V559 HydrophobicContact CG-CG2 4.23Å; V559-V561 HydrophobicContact CG1-CG2 4.34Å
560	L	95.5	Very high	85.9	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.3	176.8	-52.2	-177.2	0	0	0	109.2	I423 L429 I431 I443 L447 V527 I528 I529 I530	I423-L560 HydrophobicContact CD1-CD1 3.81Å; I423-L560 HydrophobicContact CD1-CD2 4.18Å; I423-L560 HydrophobicContact CG1-CD1 4.36Å; I423-L560 HydrophobicContact CG1-CD2 3.82Å; I423-L560 HydrophobicContact CG2-CD2 4.39Å; L429-L560 HydrophobicContact CB-CD2 3.81Å; L429-L560 HydrophobicContact CD2-CD2 4.36Å; L429-L560 WeakPolarHBondContact O-CA 3.32Å; I431-L560 HydrophobicContact CD1-CB 4.14Å; I431-L560 HydrophobicContact CD1-CD1 4.18Å; I431-L560 HydrophobicContact CD1-CD2 4.43Å; I431-L560 HydrophobicContact CD1-CG 4.48Å; I443-L560 HydrophobicContact CG2-CD1 3.77Å; L447-L560 HydrophobicContact CD1-CD1 3.91Å; V527-L560 HydrophobicContact CG1-CD1 4.25Å; V527-L560 HydrophobicContact CG1-CG 4.21Å; I528-L560 PolarHBondContact O-N 2.85Å; I529-L560 CarbonylContact C-O 3.38Å; I529-L560 WeakPolarHBondContact CA-O 3.47Å; I529-L560 HydrophobicContact CD1-CD1 4.41Å; I529-L560 HydrophobicContact CG1-CB 4.21Å; I529-L560 HydrophobicContact CG1-CD1 4.11Å; I529-L560 HydrophobicContact CG1-CG 4.43Å; I529-L560 HydrophobicContact CG2-CB 4.31Å; I530-L560 PolarHBondContact N-O 3.02Å
561	V	94.4	Very high	85.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	102.4	177.5	-177.3	0	0	0	0	108.1	L429 V430 I431 I530 A533 F544 V559 F571 F575	L429-V561 PolarHBondContact O-N 3.48Å; V430-V561 CarbonylContact C-O 3.4Å; V430-V561 WeakPolarHBondContact CA-O 3.46Å; V430-V561 HydrophobicContact CG2-CB 4.5Å; I431-V561 PolarHBondContact N-O 3.11Å; I530-V561 CarbonylContact O-C 3.59Å; A533-V561 HydrophobicContact CB-CG1 3.69Å; F544-V561 HydrophobicContact CE1-CG1 4.03Å; F544-V561 HydrophobicContact CE1-CG2 4.43Å; F544-V561 HydrophobicContact CZ-CG1 4.25Å; V559-V561 HydrophobicContact CG1-CG2 4.34Å; V561-F571 HydrophobicContact CG1-CD1 4.26Å; V561-F575 HydrophobicContact CG2-CD2 4.2Å; V561-F575 HydrophobicContact CG2-CE2 3.7Å; V561-F575 HydrophobicContact CG2-CZ 4.11Å
562	A	91.2	Very high	85.8	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.008	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.1	-178.3	0	0	0	0	0	111.2	I431 K439 I530 D531 E532 A533	I431-A562 HydrophobicContact CB-CB 4.44Å; I431-A562 WeakPolarHBondContact O-CA 3.08Å; K439-A562 HydrophobicContact CD-CB 4.36Å; I530-A562 PolarHBondContact O-N 2.6Å; D531-A562 HydrophobicContact CB-CB 4.33Å; D531-A562 WeakPolarHBondContact OD1-CB 3.48Å; E532-A562 PolarHBondContact N-O 3.18Å; E532-A562 VanDerWaalsContact N-O 3.13Å; A533-A562 WeakPolarHBondContact CB-O 3.47Å; A533-A562 PolarHBondContact N-O 3.41Å
563	S	86.5	Confident	85.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152	-179.7	-176.4	0	0	0	0	111.4	I431 E432 G433 T565	I431-S563 PolarHBondContact O-N 2.81Å; E432-S563 WeakPolarHBondContact CA-O 3.39Å; G433-S563 PolarHBondContact N-O 3.18Å; S563-T565 PolarHBondContact OG-N 3.4Å; S563-T565 PolarHBondContact OG-OG1 3.01Å
564	A	76.8	Confident	86	Confident	19 Å²	19	40.5 Å²	40.5	16%	0.157	22%	0.215	C	C	.	.	S	Bend	trans	-102.3	-2.1	176.5	0	0	0	0	0	113.5	G433 T435 H534	G433-A564 WeakPolarHBondContact O-CA 3.39Å; T435-A564 HydrophobicContact CG2-CB 4.12Å; H534-A564 PolarHBondContact ND1-N 3.17Å
565	T	69.4	Low	86.1	Confident	26 Å²	26	39.7 Å²	39.7	16%	0.16	21%	0.212	C	C	.	.	S	Bend	trans	-110.9	159.1	-173.7	58.7	0	0	0	0	112.6	H534 S563 D567 T568 Q732	H534-T565 HydrophobicContact CB-CG2 3.68Å; H534-T565 WeakPolarHBondContact CB-OG1 3.36Å; S563-T565 PolarHBondContact OG-N 3.4Å; S563-T565 PolarHBondContact OG-OG1 3.01Å; T565-D567 PolarHBondContact O-N 2.93Å; T565-T568 WeakPolarHBondContact O-CG2 3.44Å; T565-Q732 VanDerWaalsContact CG2-NE2 3.33Å
566	L	57.3	Low	86.2	Confident	141 Å²	141	39.7 Å²	39.7	74%	0.738	21%	0.206	S	C	*	.	S	Bend	trans	-69.9	-6.5	178.2	-75.4	159.4	0	0	0	114.3	T568	L566-T568 PolarHBondContact O-N 3.48Å
567	D	67.9	Low	86.2	Confident	38 Å²	38	41.2 Å²	41.2	20%	0.203	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	33.8	-178.5	-160.1	11.6	0	0	0	112.3	T565 E569 R570 F571	T565-D567 PolarHBondContact O-N 2.93Å; D567-E569 PolarHBondContact O-N 2.68Å; D567-R570 PolarHBondContact O-N 2.73Å; D567-R570 VanDerWaalsContact OD1-CD 3.31Å; D567-R570 WeakPolarHBondContact OD1-CD 3.5Å; D567-R570 WeakPolarHBondContact OD1-CG 3.32Å; D567-R570 IonicContact OD1-CZ 3.14Å; D567-R570 IonicContact OD1-NE 3.58Å; D567-R570 IonicContact OD1-NH1 2.73Å; D567-R570 WeakPolarHBondContact OD2-CD 3.04Å; D567-R570 IonicContact OD2-CZ 3.55Å; D567-R570 IonicContact OD2-NE 3.95Å; D567-R570 IonicContact OD2-NH1 3.19Å; D567-R570 PolarHBondContact OD2-NH1 3.46Å; D567-F571 VanDerWaalsContact O-CD2 3.26Å; D567-F571 WeakPolarHBondContact O-CD2 3.37Å
568	T	77.2	Confident	86.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-69.2	-20.8	-179	47.4	0	0	0	0	113	V430 E432 T565 L566 F571 S572 V580	V430-T568 HydrophobicContact CG1-CG2 4.01Å; E432-T568 HydrophobicContact CB-CG2 3.76Å; E432-T568 HydrophobicContact CG-CG2 3.59Å; E432-T568 WeakPolarHBondContact OE2-CG2 3.38Å; E432-T568 PolarHBondContact OE2-OG1 3.12Å; T565-T568 WeakPolarHBondContact O-CG2 3.44Å; L566-T568 PolarHBondContact O-N 3.48Å; T568-F571 PolarHBondContact O-N 2.91Å; T568-S572 WeakPolarHBondContact O-CB 3.05Å; T568-S572 PolarHBondContact O-N 2.99Å; T568-V580 HydrophobicContact CG2-CG1 4.1Å
569	E	83.9	Confident	86.1	Confident	137 Å²	137	42.1 Å²	42.1	64%	0.64	22%	0.224	S	C	*	.	H	α-helix	trans	-64	-41.8	175.5	-64.5	-177.9	-177.1	0	0	112	D567 F571 S572 C573	D567-E569 PolarHBondContact O-N 2.68Å; E569-F571 PolarHBondContact O-N 2.96Å; E569-S572 WeakPolarHBondContact O-CB 3.43Å; E569-S572 PolarHBondContact O-N 3.33Å; E569-C573 WeakPolarHBondContact O-CB 3.36Å; E569-C573 PolarHBondContact O-N 3.47Å; E569-C573 PolarHBondContact O-SG 3.26Å
570	R	87.4	Confident	85.9	Confident	113 Å²	113	44.5 Å²	44.5	43%	0.426	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-41.2	176.6	-73.9	-173.5	-171.8	152.4	-9.3	112.2	D567 F574 T761	D567-R570 PolarHBondContact O-N 2.73Å; D567-R570 VanDerWaalsContact OD1-CD 3.31Å; D567-R570 WeakPolarHBondContact OD1-CD 3.5Å; D567-R570 WeakPolarHBondContact OD1-CG 3.32Å; D567-R570 IonicContact OD1-CZ 3.14Å; D567-R570 IonicContact OD1-NE 3.58Å; D567-R570 IonicContact OD1-NH1 2.73Å; D567-R570 WeakPolarHBondContact OD2-CD 3.04Å; D567-R570 IonicContact OD2-CZ 3.55Å; D567-R570 IonicContact OD2-NE 3.95Å; D567-R570 IonicContact OD2-NH1 3.19Å; D567-R570 PolarHBondContact OD2-NH1 3.46Å; R570-F574 WeakPolarHBondContact O-CB 3.29Å; R570-F574 PolarHBondContact O-N 2.88Å; R570-T761 PolarHBondContact NH1-OG1 3.09Å
571	F	89.6	Confident	85.7	Confident	4 Å²	4	46 Å²	46	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-44.1	174.8	-66.6	-69.2	0	0	0	111.4	V430 A533 F544 V561 D567 T568 E569 F574 F575 M792	V430-F571 HydrophobicContact CG1-CB 4.13Å; V430-F571 HydrophobicContact CG2-CB 4.1Å; A533-F571 HydrophobicContact CB-CE1 4.1Å; A533-F571 HydrophobicContact CB-CZ 4.06Å; F544-F571 HydrophobicContact CE2-CD1 4.29Å; F544-F571 AromaticContact CE2-CE1 3.7Å; F544-F571 HydrophobicContact CE2-CE1 3.7Å; F544-F571 HydrophobicContact CZ-CD1 4.29Å; F544-F571 AromaticContact CZ-CE1 3.83Å; F544-F571 HydrophobicContact CZ-CE1 3.83Å; V561-F571 HydrophobicContact CG1-CD1 4.26Å; D567-F571 VanDerWaalsContact O-CD2 3.26Å; D567-F571 WeakPolarHBondContact O-CD2 3.37Å; T568-F571 PolarHBondContact O-N 2.91Å; E569-F571 PolarHBondContact O-N 2.96Å; F571-F574 PolarHBondContact O-N 3.39Å; F571-F575 VanDerWaalsContact O-CD2 3.3Å; F571-F575 WeakPolarHBondContact O-CD2 3.45Å; F571-F575 PolarHBondContact O-N 3.3Å; F571-M792 HydrophobicContact CD1-CE 3.44Å; F571-M792 VanDerWaalsContact CD1-CE 3.44Å; F571-M792 HydrophobicContact CD1-SD 4.17Å; F571-M792 HydrophobicContact CE1-CE 3.72Å; F571-M792 HydrophobicContact CE1-SD 3.98Å; F571-M792 HydrophobicContact CG-CE 4.43Å
572	S	91.1	Very high	85.4	Confident	19 Å²	19	52.7 Å²	52.7	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-55.1	174.6	173.2	0	0	0	0	111.3	T568 E569 F574 F575 D576 D577 A578	T568-S572 WeakPolarHBondContact O-CB 3.05Å; T568-S572 PolarHBondContact O-N 2.99Å; E569-S572 WeakPolarHBondContact O-CB 3.43Å; E569-S572 PolarHBondContact O-N 3.33Å; S572-F574 VanDerWaalsContact C-N 3.3Å; S572-F574 PolarHBondContact O-N 3.3Å; S572-F575 CarbonylContact O-C 3.57Å; S572-F575 PolarHBondContact O-N 3.07Å; S572-F575 VanDerWaalsContact O-N 3.15Å; S572-D576 PolarHBondContact O-N 3.36Å; S572-D577 VanDerWaalsContact O-CA 3.22Å; S572-D577 WeakPolarHBondContact O-CA 3.45Å; S572-D577 PolarHBondContact O-N 3.09Å; S572-A578 WeakPolarHBondContact CB-O 3.38Å; S572-A578 PolarHBondContact O-N 3.43Å; S572-A578 PolarHBondContact OG-O 3.29Å
573	C	91.3	Very high	85.1	Confident	82 Å²	82	52.9 Å²	52.9	55%	0.554	27%	0.271	S	S	*	.	H	α-helix	trans	-59	-40.4	179.2	-68.9	0	0	0	0	112.3	E569 F575 D576	E569-C573 WeakPolarHBondContact O-CB 3.36Å; E569-C573 PolarHBondContact O-N 3.47Å; E569-C573 PolarHBondContact O-SG 3.26Å; C573-F575 VanDerWaalsContact C-N 3.35Å; C573-D576 PolarHBondContact O-N 3.1Å
574	F	91.4	Very high	84.5	Confident	25 Å²	25	55.5 Å²	55.5	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-39.1	178	-179.9	-92.7	0	0	0	111.9	F544 K548 R570 F571 S572 D576 D790 M792	F544-F574 HydrophobicContact CB-CD1 4.46Å; F544-F574 HydrophobicContact CB-CE1 3.68Å; F544-F574 HydrophobicContact CB-CZ 4.12Å; K548-F574 HydrophobicContact CB-CE1 4.43Å; K548-F574 HydrophobicContact CD-CE1 3.99Å; K548-F574 HydrophobicContact CD-CZ 4.15Å; K548-F574 WeakPolarHBondContact CE-O 3.25Å; K548-F574 PolarHBondContact NZ-O 2.78Å; R570-F574 WeakPolarHBondContact O-CB 3.29Å; R570-F574 PolarHBondContact O-N 2.88Å; F571-F574 PolarHBondContact O-N 3.39Å; S572-F574 VanDerWaalsContact C-N 3.3Å; S572-F574 PolarHBondContact O-N 3.3Å; F574-D576 VanDerWaalsContact C-N 3.26Å; F574-D576 PolarHBondContact O-N 2.97Å; F574-D790 WeakPolarHBondContact CE2-O 3.48Å; F574-D790 WeakPolarHBondContact CZ-O 3.31Å; F574-M792 HydrophobicContact CB-CE 3.71Å; F574-M792 HydrophobicContact CD1-CE 3.85Å; F574-M792 HydrophobicContact CD2-CB 3.89Å; F574-M792 HydrophobicContact CD2-CE 4.23Å; F574-M792 HydrophobicContact CD2-CG 4.12Å; F574-M792 HydrophobicContact CE2-CB 4.02Å; F574-M792 HydrophobicContact CG-CB 4.45Å; F574-M792 HydrophobicContact CG-CE 3.64Å; F574-M792 HydrophobicContact CG-CG 4.41Å
575	F	92.8	Very high	83.6	Confident	5 Å²	5	55.7 Å²	55.7	2%	0.022	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	40.7	177.4	-71.8	-69.9	0	0	0	113.2	I428 F544 K548 V561 F571 S572 C573 D577 A578	I428-F575 HydrophobicContact CD1-CB 4.43Å; I428-F575 HydrophobicContact CD1-CD1 3.9Å; I428-F575 HydrophobicContact CG2-CB 3.95Å; I428-F575 HydrophobicContact CG2-CD1 4.1Å; I428-F575 HydrophobicContact CG2-CG 3.96Å; F544-F575 HydrophobicContact CB-CZ 4Å; F544-F575 AromaticContact CD1-CE2 3.97Å; F544-F575 HydrophobicContact CD1-CE2 3.97Å; F544-F575 AromaticContact CD1-CZ 3.59Å; F544-F575 HydrophobicContact CD1-CZ 3.59Å; F544-F575 HydrophobicContact CE1-CE2 4.33Å; F544-F575 HydrophobicContact CE1-CZ 4.32Å; F544-F575 HydrophobicContact CG-CE2 4.35Å; F544-F575 HydrophobicContact CG-CZ 4.01Å; K548-F575 HydrophobicContact CB-CD1 4.46Å; K548-F575 HydrophobicContact CB-CE1 4.18Å; V561-F575 HydrophobicContact CG2-CD2 4.2Å; V561-F575 HydrophobicContact CG2-CE2 3.7Å; V561-F575 HydrophobicContact CG2-CZ 4.11Å; F571-F575 VanDerWaalsContact O-CD2 3.3Å; F571-F575 WeakPolarHBondContact O-CD2 3.45Å; F571-F575 PolarHBondContact O-N 3.3Å; S572-F575 CarbonylContact O-C 3.57Å; S572-F575 PolarHBondContact O-N 3.07Å; S572-F575 VanDerWaalsContact O-N 3.15Å; C573-F575 VanDerWaalsContact C-N 3.35Å; F575-D577 PolarHBondContact O-N 3.31Å; F575-A578 HydrophobicContact CB-CB 3.77Å; F575-A578 WeakPolarHBondContact O-CB 3.39Å; F575-A578 PolarHBondContact O-N 2.86Å
576	D	90.4	Very high	83	Confident	99 Å²	99	56.4 Å²	56.4	53%	0.529	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	47.6	173.4	-56.3	-26.5	0	0	0	112.6	K548 R552 S572 C573 F574	K548-D576 VanDerWaalsContact CE-OD1 3.31Å; K548-D576 WeakPolarHBondContact CE-OD1 3.11Å; K548-D576 WeakPolarHBondContact CE-OD2 3.29Å; K548-D576 IonicContact NZ-OD1 3.51Å; K548-D576 PolarHBondContact NZ-OD1 3.44Å; K548-D576 IonicContact NZ-OD2 2.96Å; R552-D576 IonicContact CZ-OD2 3.43Å; R552-D576 IonicContact NE-OD2 3.31Å; R552-D576 IonicContact NH2-OD1 2.79Å; R552-D576 IonicContact NH2-OD2 2.99Å; R552-D576 PolarHBondContact NH2-OD2 3.46Å; S572-D576 PolarHBondContact O-N 3.36Å; C573-D576 PolarHBondContact O-N 3.1Å; F574-D576 VanDerWaalsContact C-N 3.26Å; F574-D576 PolarHBondContact O-N 2.97Å
577	D	91.4	Very high	82.9	Confident	123 Å²	123	54.5 Å²	54.5	66%	0.658	28%	0.275	S	S	*	.	S	Bend	trans	62	41.5	-177.5	-62.7	-44.2	0	0	0	114.3	S572 F575	S572-D577 VanDerWaalsContact O-CA 3.22Å; S572-D577 WeakPolarHBondContact O-CA 3.45Å; S572-D577 PolarHBondContact O-N 3.09Å; F575-D577 PolarHBondContact O-N 3.31Å
578	A	92	Very high	83	Confident	6 Å²	6	55 Å²	55	5%	0.05	28%	0.275	C	S	.	.			trans	-59.8	136.3	177.4	0	0	0	0	0	112.3	I428 V430 S572 F575	I428-A578 HydrophobicContact CB-CB 4.24Å; I428-A578 HydrophobicContact CG2-CB 4.04Å; V430-A578 HydrophobicContact CG2-CB 4.31Å; S572-A578 WeakPolarHBondContact CB-O 3.38Å; S572-A578 PolarHBondContact O-N 3.43Å; S572-A578 PolarHBondContact OG-O 3.29Å; F575-A578 HydrophobicContact CB-CB 3.77Å; F575-A578 WeakPolarHBondContact O-CB 3.39Å; F575-A578 PolarHBondContact O-N 2.86Å
579	P	94.1	Very high	83.2	Confident	45 Å²	45	56.1 Å²	56.1	29%	0.292	28%	0.283	S	S	.	.			trans	-63.6	145	-177.1	20.4	-27	0	0	0	112.3	H426 L429 V430	H426-P579 HydrophobicContact CB-CG 3.93Å; H426-P579 WeakPolarHBondContact CD2-CG 3.42Å; L429-P579 HydrophobicContact CD1-CB 4.22Å; L429-P579 HydrophobicContact CD1-CG 3.92Å; L429-P579 WeakPolarHBondContact CD1-O 3.47Å; V430-P579 PolarHBondContact N-O 3.34Å
580	V	92.2	Very high	83.3	Confident	50 Å²	50	49.6 Å²	49.6	30%	0.303	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.3	178.6	-175.1	0	0	0	0	109.8	V430 E432 T568 R582	V430-V580 HydrophobicContact CB-CG2 4.21Å; V430-V580 HydrophobicContact CG1-CG1 4.49Å; V430-V580 HydrophobicContact CG1-CG2 4.44Å; V430-V580 CarbonylContact O-C 3.47Å; V430-V580 VanDerWaalsContact O-CA 3.32Å; V430-V580 WeakPolarHBondContact O-CA 3.35Å; E432-V580 HydrophobicContact CB-CG1 4.23Å; T568-V580 HydrophobicContact CG2-CG1 4.1Å; V580-R582 HydrophobicContact CG1-CG 3.96Å
581	F	91.5	Very high	83.4	Confident	33 Å²	33	47.3 Å²	47.3	15%	0.145	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	111.6	172.1	-169.1	-89.6	0	0	0	110	D418 L419 A422 L429 V430 I431 E432 I583	D418-F581 HydrophobicContact CB-CE2 4.03Å; D418-F581 HydrophobicContact CB-CZ 4.08Å; L419-F581 HydrophobicContact CB-CE1 4.1Å; L419-F581 HydrophobicContact CB-CE2 4.47Å; L419-F581 HydrophobicContact CB-CZ 3.95Å; L419-F581 HydrophobicContact CD1-CD1 3.79Å; L419-F581 HydrophobicContact CD1-CE1 3.98Å; L419-F581 HydrophobicContact CD1-CG 4.07Å; L419-F581 HydrophobicContact CD1-CZ 4.43Å; A422-F581 HydrophobicContact CB-CD2 4.2Å; L429-F581 HydrophobicContact CD1-CB 4.18Å; L429-F581 HydrophobicContact CD2-CB 4.13Å; L429-F581 HydrophobicContact CG-CB 4.25Å; V430-F581 PolarHBondContact O-N 3.43Å; I431-F581 WeakPolarHBondContact CA-O 3.18Å; E432-F581 PolarHBondContact N-O 2.89Å; F581-I583 HydrophobicContact CD1-CG1 3.89Å; F581-I583 HydrophobicContact CE1-CG1 3.75Å
582	R	88.9	Confident	83.4	Confident	140 Å²	140	47.5 Å²	47.5	53%	0.528	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115	-177.4	-64.1	-172	167.8	154.2	5.2	111.4	E432 V580 P584	E432-R582 HydrophobicContact CB-CB 4.49Å; E432-R582 HydrophobicContact CB-CG 4Å; E432-R582 IonicContact OE2-CZ 2.81Å; E432-R582 IonicContact OE2-NE 3.78Å; E432-R582 PolarHBondContact OE2-NE 3.26Å; E432-R582 IonicContact OE2-NH2 2.74Å; V580-R582 HydrophobicContact CG1-CG 3.96Å; R582-P584 WeakPolarHBondContact O-CD 3.39Å
583	I	84.6	Confident	83.4	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.9	169.1	-57.3	162.3	0	0	0	106.9	I412 I431 E432 K439 F581 G585	I412-I583 HydrophobicContact CD1-CD1 3.66Å; I412-I583 HydrophobicContact CG1-CD1 3.79Å; I431-I583 HydrophobicContact CG2-CD1 3.68Å; I431-I583 HydrophobicContact CG2-CG1 4.44Å; E432-I583 PolarHBondContact O-N 2.89Å; K439-I583 HydrophobicContact CG-CD1 4.14Å; F581-I583 HydrophobicContact CD1-CG1 3.89Å; F581-I583 HydrophobicContact CE1-CG1 3.75Å; I583-G585 PolarHBondContact O-N 3.05Å
584	P	72.7	Confident	83.4	Confident	56 Å²	56	44.6 Å²	44.6	36%	0.364	23%	0.225	S	C	.	.			trans	-59.1	117.2	179.5	22	-30.2	0	0	0	109.9	T382 Y415 R582	T382-P584 HydrophobicContact CG2-CB 4.34Å; Y415-P584 HydrophobicContact CE2-CG 3.82Å; Y415-P584 WeakPolarHBondContact OH-CG 3.38Å; R582-P584 WeakPolarHBondContact O-CD 3.39Å
585	G	58.1	Low	83.3	Confident	23 Å²	23	43.6 Å²	43.6	24%	0.237	22%	0.221	C	C	.	.			trans	-97	122.7	174.4	0	0	0	0	0	110.2	I583	I583-G585 PolarHBondContact O-N 3.05Å
586	R	57.2	Low	82.9	Confident	41 Å²	41	49.5 Å²	49.5	16%	0.155	25%	0.247	C	C	.	.			trans	151.2	123.5	139.2	-84.8	-167.2	-167.8	-170.4	8	110.5	M379 T382 E434	M379-R586 PolarHBondContact SD-NH1 3.11Å; T382-R586 WeakPolarHBondContact CB-O 3.16Å; T382-R586 VanDerWaalsContact CG2-O 3.3Å; T382-R586 WeakPolarHBondContact CG2-O 3.2Å; T382-R586 PolarHBondContact N-O 2.77Å; T382-R586 PolarHBondContact OG1-O 2.95Å; E434-R586 VanDerWaalsContact CD-CG 3.46Å; E434-R586 VanDerWaalsContact CD-NE 3.3Å; E434-R586 IonicContact OE1-CZ 3.74Å; E434-R586 VanDerWaalsContact OE1-CZ 3.26Å; E434-R586 IonicContact OE1-NE 3.96Å; E434-R586 PolarHBondContact OE1-NE 3.31Å; E434-R586 IonicContact OE1-NH2 2.78Å; E434-R586 PolarHBondContact OE1-NH2 2.9Å; E434-R586 WeakPolarHBondContact OE2-CG 3.28Å; E434-R586 IonicContact OE2-NE 2.69Å; E434-R586 PolarHBondContact OE2-NE 3.14Å
587	R	55.8	Low	82.7	Confident	100 Å²	100	47.1 Å²	47.1	38%	0.377	24%	0.241	S	C	.	.	S	Bend	trans	-72.2	-31.7	174.3	-68.2	178.2	176.8	174.1	-4	112.7	R383 S409	R383-R587 WeakPolarHBondContact CB-O 3.3Å; S409-R587 PolarHBondContact O-NH2 3.21Å
588	F	69.8	Low	82.4	Confident	49 Å²	49	46.4 Å²	46.4	22%	0.215	24%	0.243	C	C	.	.	S	Bend	trans	-146.2	154.5	-172.5	-59.4	-78.8	0	0	0	114.5	V740 A741	F588-V740 WeakPolarHBondContact CD2-O 3.48Å; F588-V740 WeakPolarHBondContact CE2-O 3.48Å; F588-A741 VanDerWaalsContact CB-C 3.46Å; F588-A741 WeakPolarHBondContact CB-O 3.44Å
589	P	81.9	Confident	82	Confident	24 Å²	24	49.7 Å²	49.7	16%	0.156	26%	0.257	C	S	.	.			trans	-74.2	158.7	178.8	30.1	-35.1	0	0	0	113.8	M379 A742 G743	M379-P589 VanDerWaalsContact O-CA 3.28Å; M379-P589 WeakPolarHBondContact O-CA 3.32Å; M379-P589 WeakPolarHBondContact O-CB 3.43Å; P589-A742 HydrophobicContact CG-CB 4.31Å; P589-A742 WeakPolarHBondContact O-CA 3.32Å; P589-G743 PolarHBondContact O-N 3.05Å; P589-G743 VanDerWaalsContact O-N 3.08Å
590	V	85.4	Confident	81.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.5	175.1	-178.9	0	0	0	0	111	M379 A737 G738 G743 C745	M379-V590 PolarHBondContact N-O 3.07Å; M379-V590 PolarHBondContact O-N 3.45Å; V590-A737 HydrophobicContact CG1-CB 4.04Å; V590-A737 HydrophobicContact CG2-CB 4.2Å; V590-G738 VanDerWaalsContact CG2-CA 3.41Å; V590-G743 VanDerWaalsContact CA-O 3.3Å; V590-G743 WeakPolarHBondContact CA-O 3.47Å; V590-C745 HydrophobicContact CG1-CB 4Å
591	D	88.9	Confident	81.3	Confident	64 Å²	64	55 Å²	55	34%	0.342	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.5	173.9	-64.9	-26	0	0	0	110.7	T378 F593 G743 K744 C745	T378-D591 WeakPolarHBondContact CG2-OD1 3.47Å; D591-F593 HydrophobicContact CB-CE2 3.7Å; D591-F593 HydrophobicContact CB-CZ 4.12Å; D591-G743 PolarHBondContact N-O 3.02Å; D591-K744 HydrophobicContact CB-CG 4.33Å; D591-K744 CarbonylContact O-C 3.53Å; D591-K744 WeakPolarHBondContact O-CA 3.33Å; D591-C745 PolarHBondContact O-N 3.14Å
592	I	89.8	Confident	81.3	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.9	178.9	-49.2	174.4	0	0	0	110.1	I377 M379 Y594 C745 R747	I377-I592 HydrophobicContact CG2-CD1 4.31Å; M379-I592 HydrophobicContact CE-CD1 3.39Å; M379-I592 HydrophobicContact CE-CG1 4.21Å; M379-I592 HydrophobicContact CG-CD1 3.88Å; M379-I592 HydrophobicContact CG-CG1 4.39Å; M379-I592 HydrophobicContact SD-CD1 4.47Å; I592-Y594 HydrophobicContact CB-CE2 4.29Å; I592-Y594 HydrophobicContact CG2-CD2 4.22Å; I592-Y594 HydrophobicContact CG2-CE1 4.33Å; I592-Y594 HydrophobicContact CG2-CE2 3.57Å; I592-C745 WeakPolarHBondContact CA-O 3.35Å; I592-R747 HydrophobicContact CG2-CG 4.26Å
593	F	91.5	Very high	81.4	Confident	37 Å²	37	50.1 Å²	50.1	16%	0.162	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.7	175.4	-62.9	-85.3	0	0	0	109.8	F372 D591 K744 C745 F746 R747	F372-F593 HydrophobicContact CB-CB 4.09Å; F372-F593 HydrophobicContact CB-CD1 4.36Å; F372-F593 HydrophobicContact CD1-CB 4.1Å; F372-F593 HydrophobicContact CG-CB 4.28Å; D591-F593 HydrophobicContact CB-CE2 3.7Å; D591-F593 HydrophobicContact CB-CZ 4.12Å; F593-K744 HydrophobicContact CD2-CB 4.41Å; F593-K744 HydrophobicContact CE2-CB 3.98Å; F593-K744 HydrophobicContact CE2-CD 3.87Å; F593-K744 HydrophobicContact CE2-CG 4.01Å; F593-K744 HydrophobicContact CZ-CD 4.35Å; F593-C745 PolarHBondContact N-O 2.9Å; F593-F746 HydrophobicContact CB-CD1 3.81Å; F593-F746 HydrophobicContact CB-CE1 4.24Å; F593-F746 HydrophobicContact CD2-CD1 4.04Å; F593-F746 AromaticContact CD2-CE1 3.79Å; F593-F746 HydrophobicContact CD2-CE1 3.79Å; F593-F746 HydrophobicContact CD2-CZ 4.17Å; F593-F746 HydrophobicContact CE2-CE1 4.37Å; F593-F746 HydrophobicContact CE2-CZ 4.44Å; F593-F746 HydrophobicContact CG-CD1 4.05Å; F593-F746 AromaticContact CG-CE1 3.98Å; F593-F746 HydrophobicContact CG-CE1 3.98Å; F593-R747 WeakPolarHBondContact O-CB 3.04Å; F593-R747 PolarHBondContact O-N 3.37Å
594	Y	91	Very high	81.7	Confident	3 Å²	3	52.5 Å²	52.5	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.2	176.4	-62.8	-90.2	0	0	0	109.9	F372 V373 T375 I592 R747 Y749 A751 F754	F372-Y594 CarbonylContact C-O 3.56Å; F372-Y594 WeakPolarHBondContact CA-O 3.44Å; V373-Y594 PolarHBondContact N-O 3.41Å; V373-Y594 PolarHBondContact O-N 3.36Å; T375-Y594 WeakPolarHBondContact OG1-CD2 3.23Å; I592-Y594 HydrophobicContact CB-CE2 4.29Å; I592-Y594 HydrophobicContact CG2-CD2 4.22Å; I592-Y594 HydrophobicContact CG2-CE1 4.33Å; I592-Y594 HydrophobicContact CG2-CE2 3.57Å; Y594-R747 HydrophobicContact CD1-CB 3.94Å; Y594-R747 HydrophobicContact CE1-CB 4.26Å; Y594-R747 HydrophobicContact CE1-CG 4.43Å; Y594-R747 PolarHBondContact OH-NH1 3.29Å; Y594-Y749 WeakPolarHBondContact CB-O 3.36Å; Y594-Y749 HydrophobicContact CD1-CD2 4.39Å; Y594-Y749 HydrophobicContact CD1-CE2 4.45Å; Y594-Y749 WeakPolarHBondContact CD1-O 3.31Å; Y594-Y749 HydrophobicContact CE1-CE2 4.19Å; Y594-A751 HydrophobicContact CD1-CB 4.12Å; Y594-A751 HydrophobicContact CD2-CB 3.93Å; Y594-A751 HydrophobicContact CE1-CB 4.36Å; Y594-A751 HydrophobicContact CE2-CB 4.19Å; Y594-A751 HydrophobicContact CG-CB 3.89Å; Y594-F754 HydrophobicContact CE1-CB 3.86Å; Y594-F754 HydrophobicContact CE1-CD1 4.44Å; Y594-F754 HydrophobicContact CE1-CG 4.1Å
595	T	88.8	Confident	82.5	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	150.3	171.5	55.3	0	0	0	0	111.1	I370 F372 A597 E599 R747 L748 Y749	I370-T595 HydrophobicContact CG2-CG2 3.86Å; F372-T595 HydrophobicContact CD1-CG2 4.23Å; F372-T595 HydrophobicContact CE1-CG2 3.83Å; T595-A597 VanDerWaalsContact C-N 3.35Å; T595-A597 VanDerWaalsContact CB-O 3.32Å; T595-A597 WeakPolarHBondContact CB-O 3.28Å; T595-A597 PolarHBondContact OG1-O 2.91Å; T595-E599 HydrophobicContact CG2-CG 4.23Å; T595-R747 PolarHBondContact N-O 3.05Å; T595-L748 HydrophobicContact CG2-CB 4.48Å; T595-L748 HydrophobicContact CG2-CD2 4.26Å; T595-Y749 PolarHBondContact N-O 3.19Å; T595-Y749 WeakPolarHBondContact OG1-CA 3.43Å; T595-Y749 PolarHBondContact OG1-N 3.47Å
596	K	85.4	Confident	84.2	Confident	129 Å²	129	49 Å²	49	56%	0.561	27%	0.265	S	S	*	.	S	Bend	trans	-64.4	-40.2	174.8	-76.7	178.4	-175	170.7	0	112.1	D371 V373	D371-K596 HydrophobicContact CB-CD 3.69Å; D371-K596 HydrophobicContact CB-CG 4.34Å; D371-K596 VanDerWaalsContact CG-NZ 3.32Å; D371-K596 PolarHBondContact O-N 3.1Å; D371-K596 IonicContact OD2-NZ 3.68Å; D371-K596 PolarHBondContact OD2-NZ 3.37Å; V373-K596 HydrophobicContact CG2-CB 4.26Å; V373-K596 HydrophobicContact CG2-CD 4.26Å; V373-K596 HydrophobicContact CG2-CG 3.23Å
597	A	84.8	Confident	85.9	Confident	50 Å²	50	47 Å²	47	41%	0.413	26%	0.258	S	S	.	.	S	Bend	trans	-128.1	158.4	-177.5	0	0	0	0	0	110.2	T595	T595-A597 VanDerWaalsContact C-N 3.35Å; T595-A597 VanDerWaalsContact CB-O 3.32Å; T595-A597 WeakPolarHBondContact CB-O 3.28Å; T595-A597 PolarHBondContact OG1-O 2.91Å
598	P	85.3	Confident	87.5	Confident	107 Å²	107	43.3 Å²	43.3	70%	0.695	25%	0.246	S	C	*	.			trans	-67.2	131.4	172	28.2	-33.3	0	0	0	110.5
599	E	85.1	Confident	88.6	Confident	76 Å²	76	41 Å²	41	36%	0.355	24%	0.236	S	C	.	.			trans	-86.6	126.9	178.3	-64.3	-59	154.8	0	0	110.7	T595 A605	T595-E599 HydrophobicContact CG2-CG 4.23Å; E599-A605 HydrophobicContact CB-CB 4.38Å; E599-A605 HydrophobicContact CG-CB 4.22Å
600	A	82.5	Confident	89.1	Confident	108 Å²	108	39.9 Å²	39.9	89%	0.893	23%	0.229	S	C	*	.	S	Bend	trans	-75.5	-39.2	179.9	0	0	0	0	0	112.3
601	D	89.1	Confident	89.4	Confident	97 Å²	97	40.6 Å²	40.6	52%	0.519	23%	0.233	S	C	.	.			trans	-110.3	90.6	173.5	-169.9	-16.8	0	0	0	109.9	L603 D604 A605	D601-L603 PolarHBondContact O-N 3.06Å; D601-L603 WeakPolarHBondContact OD1-CB 3.28Å; D601-L603 PolarHBondContact OD1-N 3.34Å; D601-D604 PolarHBondContact OD1-N 3.48Å; D601-A605 WeakPolarHBondContact O-CB 3.44Å; D601-A605 PolarHBondContact O-N 2.89Å
602	Y	91.2	Very high	89.4	Confident	44 Å²	44	39 Å²	39	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-69	-20.6	179.3	62.7	-101	0	0	0	112.9	C606 L626 E631 P703 F705	Y602-C606 WeakPolarHBondContact O-CB 3.46Å; Y602-C606 PolarHBondContact O-N 2.89Å; Y602-C606 PolarHBondContact O-SG 3.26Å; Y602-L626 HydrophobicContact CD2-CD2 4.41Å; Y602-L626 HydrophobicContact CE2-CD2 4.33Å; Y602-E631 PolarHBondContact OH-OE1 3.12Å; Y602-P703 HydrophobicContact CD2-CB 3.97Å; Y602-P703 HydrophobicContact CD2-CG 4.46Å; Y602-P703 HydrophobicContact CG-CB 4.14Å; Y602-F705 AromaticContact CD1-CD2 3.85Å; Y602-F705 HydrophobicContact CD1-CD2 3.85Å; Y602-F705 AromaticContact CD1-CE2 3.65Å; Y602-F705 HydrophobicContact CD1-CE2 3.65Å; Y602-F705 AromaticContact CE1-CD2 3.88Å; Y602-F705 HydrophobicContact CE1-CD2 3.88Å; Y602-F705 AromaticContact CE1-CE2 3.95Å; Y602-F705 HydrophobicContact CE1-CE2 3.95Å; Y602-F705 HydrophobicContact CG-CD2 4.27Å; Y602-F705 HydrophobicContact CG-CE2 4.29Å
603	L	91.4	Very high	89.4	Confident	28 Å²	28	38.8 Å²	38.8	15%	0.147	22%	0.222	C	C	.	.	H	α-helix	trans	-74.7	-46.7	-176.8	-170.6	146.6	0	0	0	109.8	D601 A605 C606 V607 E631 C635 M638	D601-L603 PolarHBondContact O-N 3.06Å; D601-L603 WeakPolarHBondContact OD1-CB 3.28Å; D601-L603 PolarHBondContact OD1-N 3.34Å; L603-A605 VanDerWaalsContact C-N 3.35Å; L603-C606 WeakPolarHBondContact O-CB 3.42Å; L603-C606 PolarHBondContact O-N 2.99Å; L603-V607 WeakPolarHBondContact O-CG2 3.49Å; L603-V607 PolarHBondContact O-N 2.88Å; L603-E631 HydrophobicContact CD1-CB 3.9Å; L603-E631 HydrophobicContact CD1-CG 4.13Å; L603-C635 HydrophobicContact CG-CB 4.5Å; L603-M638 HydrophobicContact CD2-CE 4.18Å; L603-M638 HydrophobicContact CD2-SD 3.42Å; L603-M638 WeakPolarHBondContact CD2-SD 3.22Å
604	D	90.1	Very high	89.3	Confident	55 Å²	55	37.8 Å²	37.8	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-63.6	-42.9	173.2	-166.6	56.9	0	0	0	111.5	D601 C606 V607 V608 M638 R642	D601-D604 PolarHBondContact OD1-N 3.48Å; D604-C606 VanDerWaalsContact C-N 3.28Å; D604-C606 PolarHBondContact O-N 3.39Å; D604-V607 WeakPolarHBondContact O-CB 3.4Å; D604-V607 PolarHBondContact O-N 3.31Å; D604-V608 WeakPolarHBondContact O-CG2 3.1Å; D604-V608 PolarHBondContact O-N 2.88Å; D604-M638 WeakPolarHBondContact OD1-CE 3.39Å; D604-R642 IonicContact OD1-CZ 3.65Å; D604-R642 IonicContact OD1-NH1 2.73Å; D604-R642 IonicContact OD1-NH2 3.5Å; D604-R642 PolarHBondContact OD1-NH2 3.33Å; D604-R642 IonicContact OD2-NH2 3.35Å
605	A	90.1	Very high	89.1	Confident	5 Å²	5	41.3 Å²	41.3	4%	0.041	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-36.5	176.6	0	0	0	0	0	113	I370 E599 D601 L603 S609 L748	I370-A605 HydrophobicContact CD1-CB 3.6Å; I370-A605 WeakPolarHBondContact CD1-O 3.4Å; E599-A605 HydrophobicContact CB-CB 4.38Å; E599-A605 HydrophobicContact CG-CB 4.22Å; D601-A605 WeakPolarHBondContact O-CB 3.44Å; D601-A605 PolarHBondContact O-N 2.89Å; L603-A605 VanDerWaalsContact C-N 3.35Å; A605-S609 VanDerWaalsContact O-CB 3.3Å; A605-S609 WeakPolarHBondContact O-CB 3.33Å; A605-S609 PolarHBondContact O-N 3.34Å; A605-S609 PolarHBondContact O-OG 2.88Å; A605-L748 HydrophobicContact CB-CD1 3.99Å
606	C	92.9	Very high	88.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-47.6	171.6	-75.8	0	0	0	0	111.2	Y602 L603 D604 S609 V610 V624 L748	Y602-C606 WeakPolarHBondContact O-CB 3.46Å; Y602-C606 PolarHBondContact O-N 2.89Å; Y602-C606 PolarHBondContact O-SG 3.26Å; L603-C606 WeakPolarHBondContact O-CB 3.42Å; L603-C606 PolarHBondContact O-N 2.99Å; D604-C606 VanDerWaalsContact C-N 3.28Å; D604-C606 PolarHBondContact O-N 3.39Å; C606-S609 PolarHBondContact O-N 3.35Å; C606-V610 VanDerWaalsContact O-CG2 3.29Å; C606-V610 WeakPolarHBondContact O-CG2 3.37Å; C606-V610 PolarHBondContact O-N 2.82Å; C606-V624 HydrophobicContact CB-CG1 4.19Å; C606-L748 HydrophobicContact CB-CD1 4.32Å; C606-L748 WeakPolarHBondContact SG-CD1 3.33Å
607	V	92.2	Very high	89	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-45.9	-179	173.8	0	0	0	0	110.8	L603 D604 V610 L611 M638 L639	L603-V607 WeakPolarHBondContact O-CG2 3.49Å; L603-V607 PolarHBondContact O-N 2.88Å; D604-V607 WeakPolarHBondContact O-CB 3.4Å; D604-V607 PolarHBondContact O-N 3.31Å; V607-V610 PolarHBondContact O-N 2.76Å; V607-L611 HydrophobicContact CG1-CD1 4.25Å; V607-L611 WeakPolarHBondContact O-CG 3.47Å; V607-L611 PolarHBondContact O-N 3.03Å; V607-L611 VanDerWaalsContact O-N 3.16Å; V607-M638 HydrophobicContact CG1-CB 4.44Å; V607-M638 HydrophobicContact CG2-CB 4.1Å; V607-M638 HydrophobicContact CG2-CE 4.27Å; V607-L639 HydrophobicContact CB-CD2 4.4Å; V607-L639 HydrophobicContact CG1-CD2 3.9Å; V607-L639 HydrophobicContact CG1-CG 4.3Å; V607-L639 HydrophobicContact CG2-CG 4.29Å
608	V	91.1	Very high	89.2	Confident	21 Å²	21	42.1 Å²	42.1	13%	0.127	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-48.6	175.6	173.7	0	0	0	0	110.8	E368 I370 D604 V610 L611 Q612	E368-V608 WeakPolarHBondContact O-CG1 3.49Å; I370-V608 HydrophobicContact CD1-CB 4.23Å; I370-V608 HydrophobicContact CD1-CG1 4.19Å; I370-V608 HydrophobicContact CG1-CG1 4.21Å; D604-V608 WeakPolarHBondContact O-CG2 3.1Å; D604-V608 PolarHBondContact O-N 2.88Å; V608-V610 VanDerWaalsContact C-N 3.35Å; V608-V610 PolarHBondContact O-N 2.82Å; V608-L611 PolarHBondContact O-N 3.01Å; V608-Q612 WeakPolarHBondContact O-CB 3.47Å; V608-Q612 PolarHBondContact O-N 2.95Å
609	S	91.7	Very high	89.2	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-41.3	179.9	-60.4	0	0	0	0	112.5	A605 C606 L611 Q612 I613	A605-S609 VanDerWaalsContact O-CB 3.3Å; A605-S609 WeakPolarHBondContact O-CB 3.33Å; A605-S609 PolarHBondContact O-N 3.34Å; A605-S609 PolarHBondContact O-OG 2.88Å; C606-S609 PolarHBondContact O-N 3.35Å; S609-L611 PolarHBondContact O-N 2.66Å; S609-Q612 PolarHBondContact O-N 3.01Å; S609-I613 WeakPolarHBondContact O-CB 3.42Å; S609-I613 WeakPolarHBondContact O-CD1 3.3Å; S609-I613 WeakPolarHBondContact O-CG1 3.33Å; S609-I613 PolarHBondContact O-N 2.83Å
610	V	93.8	Very high	89.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-47.6	175.7	169.8	0	0	0	0	110.7	C606 V607 V608 I613 H614 I622 V624 L639 L653 V681 I701	C606-V610 VanDerWaalsContact O-CG2 3.29Å; C606-V610 WeakPolarHBondContact O-CG2 3.37Å; C606-V610 PolarHBondContact O-N 2.82Å; V607-V610 PolarHBondContact O-N 2.76Å; V608-V610 VanDerWaalsContact C-N 3.35Å; V608-V610 PolarHBondContact O-N 2.82Å; V610-I613 PolarHBondContact O-N 3.47Å; V610-H614 WeakPolarHBondContact O-CB 3.32Å; V610-H614 PolarHBondContact O-N 2.97Å; V610-I622 HydrophobicContact CG1-CD1 4.1Å; V610-I622 HydrophobicContact CG2-CG2 4.39Å; V610-V624 HydrophobicContact CG2-CG2 3.55Å; V610-L639 HydrophobicContact CB-CD2 3.84Å; V610-L639 HydrophobicContact CG1-CD1 4.41Å; V610-L639 HydrophobicContact CG1-CD2 3.61Å; V610-L639 HydrophobicContact CG2-CD2 4.43Å; V610-L653 HydrophobicContact CG1-CD2 4.38Å; V610-V681 HydrophobicContact CG1-CG1 4.08Å; V610-V681 HydrophobicContact CG1-CG2 3.85Å; V610-V681 HydrophobicContact CG2-CG1 4.34Å; V610-I701 HydrophobicContact CB-CD1 4.25Å; V610-I701 HydrophobicContact CG2-CD1 3.41Å; V610-I701 VanDerWaalsContact CG2-CD1 3.41Å
611	L	90.4	Very high	89.9	Confident	16 Å²	16	35 Å²	35	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-67.1	-41.6	-178.8	-66.8	172.2	0	0	0	111.5	V607 V608 S609 I613 H614 V615 L639 R642 L646	V607-L611 HydrophobicContact CG1-CD1 4.25Å; V607-L611 WeakPolarHBondContact O-CG 3.47Å; V607-L611 PolarHBondContact O-N 3.03Å; V607-L611 VanDerWaalsContact O-N 3.16Å; V608-L611 PolarHBondContact O-N 3.01Å; S609-L611 PolarHBondContact O-N 2.66Å; L611-I613 PolarHBondContact O-N 2.99Å; L611-H614 PolarHBondContact O-N 3.08Å; L611-V615 WeakPolarHBondContact O-CG2 3Å; L611-V615 PolarHBondContact O-N 3.35Å; L611-L639 HydrophobicContact CD2-CD2 4.48Å; L611-L639 HydrophobicContact CG-CD2 4.36Å; L611-R642 HydrophobicContact CD1-CB 3.74Å; L611-R642 HydrophobicContact CD1-CG 4.29Å; L611-L646 HydrophobicContact CD2-CD1 4.17Å
612	Q	89	Confident	90.2	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.14	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-45.4	174.7	-176.8	-179.4	0.3	0	0	111.4	M369 V608 S609 V615 T616	M369-Q612 HydrophobicContact CE-CG 3.9Å; M369-Q612 VanDerWaalsContact CE-NE2 3.34Å; M369-Q612 HydrophobicContact SD-CB 4.42Å; M369-Q612 HydrophobicContact SD-CG 3.83Å; V608-Q612 WeakPolarHBondContact O-CB 3.47Å; V608-Q612 PolarHBondContact O-N 2.95Å; S609-Q612 PolarHBondContact O-N 3.01Å; Q612-V615 PolarHBondContact O-N 3.19Å; Q612-T616 HydrophobicContact CG-CG2 4.49Å; Q612-T616 WeakPolarHBondContact O-CB 3.48Å; Q612-T616 WeakPolarHBondContact O-CG2 3.45Å; Q612-T616 PolarHBondContact O-N 3.14Å; Q612-T616 PolarHBondContact O-OG1 3.1Å
613	I	90.3	Very high	90.3	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-42.2	177.1	-69.3	167.2	0	0	0	110.7	S609 V610 L611 V615 Q617 I622 R679 Y699 I701 F746	S609-I613 WeakPolarHBondContact O-CB 3.42Å; S609-I613 WeakPolarHBondContact O-CD1 3.3Å; S609-I613 WeakPolarHBondContact O-CG1 3.33Å; S609-I613 PolarHBondContact O-N 2.83Å; V610-I613 PolarHBondContact O-N 3.47Å; L611-I613 PolarHBondContact O-N 2.99Å; I613-V615 VanDerWaalsContact C-N 3.3Å; I613-V615 PolarHBondContact O-N 3.19Å; I613-Q617 HydrophobicContact CB-CG 4.31Å; I613-Q617 HydrophobicContact CG1-CG 4.42Å; I613-Q617 HydrophobicContact CG2-CB 4.11Å; I613-Q617 HydrophobicContact CG2-CG 4Å; I613-Q617 VanDerWaalsContact O-CB 3.26Å; I613-Q617 WeakPolarHBondContact O-CB 3.35Å; I613-Q617 PolarHBondContact O-N 3.24Å; I613-I622 HydrophobicContact CB-CD1 4.06Å; I613-I622 HydrophobicContact CG2-CD1 3.64Å; I613-I622 HydrophobicContact CG2-CG1 4.05Å; I613-R679 VanDerWaalsContact C-NH1 3.34Å; I613-R679 PolarHBondContact O-NH1 2.77Å; I613-Y699 HydrophobicContact CG2-CD1 3.93Å; I613-Y699 HydrophobicContact CG2-CD2 3.82Å; I613-Y699 HydrophobicContact CG2-CE1 4.39Å; I613-Y699 HydrophobicContact CG2-CE2 4.28Å; I613-Y699 HydrophobicContact CG2-CG 3.64Å; I613-I701 HydrophobicContact CD1-CD1 3.88Å; I613-I701 HydrophobicContact CD1-CG1 3.95Å; I613-F746 HydrophobicContact CD1-CD2 3.38Å; I613-F746 HydrophobicContact CD1-CE2 3.33Å; I613-F746 HydrophobicContact CD1-CG 4.13Å; I613-F746 HydrophobicContact CD1-CZ 4.04Å; I613-F746 HydrophobicContact CG1-CD2 4.25Å; I613-F746 HydrophobicContact CG1-CE2 3.76Å; I613-F746 HydrophobicContact CG1-CZ 4Å
614	H	89.1	Confident	90.5	Very high	16 Å²	16	27 Å²	27	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-40	179	-173.2	56.2	0	0	0	112.8	V610 L611 A651 L653 R679	V610-H614 WeakPolarHBondContact O-CB 3.32Å; V610-H614 PolarHBondContact O-N 2.97Å; L611-H614 PolarHBondContact O-N 3.08Å; H614-A651 PolarHBondContact NE2-O 3.36Å; H614-L653 HydrophobicContact CB-CD1 4.38Å; H614-R679 WeakPolarHBondContact ND1-CB 3.35Å
615	V	86.8	Confident	90.8	Very high	77 Å²	77	24.4 Å²	24.4	47%	0.467	15%	0.148	S	C	.	.	H	α-helix	trans	-81.7	-42.9	-178.8	177	0	0	0	0	112.5	L611 Q612 I613 I650	L611-V615 WeakPolarHBondContact O-CG2 3Å; L611-V615 PolarHBondContact O-N 3.35Å; Q612-V615 PolarHBondContact O-N 3.19Å; I613-V615 VanDerWaalsContact C-N 3.3Å; I613-V615 PolarHBondContact O-N 3.19Å; V615-I650 HydrophobicContact CG2-CG2 3.92Å
616	T	85.2	Confident	91	Very high	76 Å²	76	24.3 Å²	24.3	47%	0.466	15%	0.147	S	C	.	.	H	α-helix	trans	-95.1	-26.7	-167.6	63.1	0	0	0	0	114.8	Q612	Q612-T616 HydrophobicContact CG-CG2 4.49Å; Q612-T616 WeakPolarHBondContact O-CB 3.48Å; Q612-T616 WeakPolarHBondContact O-CG2 3.45Å; Q612-T616 PolarHBondContact O-N 3.14Å; Q612-T616 PolarHBondContact O-OG1 3.1Å
617	Q	87.5	Confident	90.9	Very high	44 Å²	44	24.7 Å²	24.7	21%	0.206	15%	0.149	C	C	.	.	S	Bend	trans	-99.7	153	-170	-58.5	-62.2	-48.3	0	0	112.5	I613 R679 Y699	I613-Q617 HydrophobicContact CB-CG 4.31Å; I613-Q617 HydrophobicContact CG1-CG 4.42Å; I613-Q617 HydrophobicContact CG2-CB 4.11Å; I613-Q617 HydrophobicContact CG2-CG 4Å; I613-Q617 VanDerWaalsContact O-CB 3.26Å; I613-Q617 WeakPolarHBondContact O-CB 3.35Å; I613-Q617 PolarHBondContact O-N 3.24Å; Q617-R679 PolarHBondContact O-NH2 2.92Å; Q617-Y699 HydrophobicContact CB-CE1 3.77Å; Q617-Y699 HydrophobicContact CB-CE2 4.28Å; Q617-Y699 WeakPolarHBondContact CB-OH 3.41Å; Q617-Y699 HydrophobicContact CG-CE1 4.01Å
618	P	87.9	Confident	90.7	Very high	80 Å²	80	25.1 Å²	25.1	52%	0.519	15%	0.153	S	C	.	.	P	Polyproline II helix	trans	-63.8	168.7	176.8	25.1	-33.1	0	0	0	113.2	G620 R679 Y699	P618-G620 PolarHBondContact O-N 2.76Å; P618-R679 PolarHBondContact O-NH2 3.03Å; P618-R679 VanDerWaalsContact O-NH2 3.14Å; P618-Y699 VanDerWaalsContact CD-OH 3.25Å; P618-Y699 WeakPolarHBondContact CD-OH 3.39Å; P618-Y699 WeakPolarHBondContact CG-OH 3.48Å; P618-Y699 WeakPolarHBondContact O-CE2 3.42Å; P618-Y699 PolarHBondContact O-OH 3.39Å
619	P	86.4	Confident	90.4	Very high	118 Å²	118	27.6 Å²	27.6	77%	0.766	16%	0.163	S	C	*	.	S	Bend	trans	-53.1	136.2	-177.7	-25.8	34.1	0	0	0	113.5
620	G	88.9	Confident	90	Very high	11 Å²	11	35 Å²	35	11%	0.113	20%	0.198	C	C	.	.			trans	164.1	141.3	-179.5	0	0	0	0	0	110.4	P618 R679	P618-G620 PolarHBondContact O-N 2.76Å; G620-R679 WeakPolarHBondContact O-CD 3Å; G620-R679 WeakPolarHBondContact O-CG 3.49Å; G620-R679 PolarHBondContact O-NE 3.21Å
621	D	93.2	Very high	89.8	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.064	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	152.5	-178.7	-62.1	-26.8	0	0	0	110.9	T674 K680 G696 I698 Y699	D621-T674 VanDerWaalsContact CG-OG1 3.25Å; D621-T674 PolarHBondContact OD1-OG1 3.22Å; D621-T674 PolarHBondContact OD2-OG1 2.97Å; D621-K680 WeakPolarHBondContact CA-O 3.46Å; D621-K680 HydrophobicContact CB-CB 4.34Å; D621-K680 WeakPolarHBondContact CB-O 3.23Å; D621-K680 WeakPolarHBondContact OD1-CB 3.41Å; D621-K680 PolarHBondContact OD1-N 2.9Å; D621-K680 WeakPolarHBondContact OD2-CE 3.37Å; D621-K680 IonicContact OD2-NZ 3.42Å; D621-G696 WeakPolarHBondContact CB-O 3.36Å; D621-G696 PolarHBondContact N-O 3.36Å; D621-I698 PolarHBondContact O-N 2.91Å; D621-I698 VanDerWaalsContact O-N 3.08Å; D621-Y699 PolarHBondContact O-N 3.35Å; D621-Y699 VanDerWaalsContact O-N 3.17Å
622	I	94.4	Very high	89.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.3	-177.6	-51.7	175.3	0	0	0	109.2	V610 I613 V624 R679 K680 V681 V682 Y699 I701	V610-I622 HydrophobicContact CG1-CD1 4.1Å; V610-I622 HydrophobicContact CG2-CG2 4.39Å; I613-I622 HydrophobicContact CB-CD1 4.06Å; I613-I622 HydrophobicContact CG2-CD1 3.64Å; I613-I622 HydrophobicContact CG2-CG1 4.05Å; I622-V624 HydrophobicContact CG2-CG2 4.06Å; I622-R679 HydrophobicContact CG1-CG 4.46Å; I622-K680 PolarHBondContact N-O 3.2Å; I622-V681 HydrophobicContact CB-CG1 4.35Å; I622-V681 HydrophobicContact CB-CG2 4.17Å; I622-V681 HydrophobicContact CD1-CG2 4.12Å; I622-V681 HydrophobicContact CG1-CG2 4.44Å; I622-V681 WeakPolarHBondContact O-CA 3.22Å; I622-V682 PolarHBondContact O-N 3.04Å; I622-Y699 CarbonylContact C-O 3.53Å; I622-Y699 WeakPolarHBondContact CA-O 3.44Å; I622-Y699 HydrophobicContact CG1-CD2 4.22Å; I622-I701 HydrophobicContact CG2-CD1 4.01Å; I622-I701 HydrophobicContact CG2-CG1 4.43Å
623	L	94.7	Very high	89.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.2	169.5	179.9	65.8	0	0	0	109.9	F625 V682 A684 A688 I697 Y699 V700 I701 R736	L623-F625 HydrophobicContact CD2-CE1 4.39Å; L623-F625 HydrophobicContact CD2-CE2 3.72Å; L623-F625 HydrophobicContact CD2-CZ 3.55Å; L623-F625 HydrophobicContact CG-CE2 4.08Å; L623-F625 HydrophobicContact CG-CZ 4.21Å; L623-V682 WeakPolarHBondContact CA-O 3.23Å; L623-V682 HydrophobicContact CD1-CB 4.03Å; L623-V682 HydrophobicContact CD1-CG1 4.07Å; L623-A684 HydrophobicContact CD1-CB 3.78Å; L623-A688 HydrophobicContact CD1-CB 4.03Å; L623-A688 HydrophobicContact CD2-CB 4.04Å; L623-I697 HydrophobicContact CB-CD1 3.8Å; L623-I697 HydrophobicContact CB-CG1 4.28Å; L623-I697 HydrophobicContact CB-CG2 3.86Å; L623-I697 HydrophobicContact CD1-CD1 4.35Å; L623-I697 HydrophobicContact CD2-CD1 3.82Å; L623-I697 HydrophobicContact CG-CD1 4.2Å; L623-Y699 PolarHBondContact N-O 3.32Å; L623-V700 HydrophobicContact CB-CG2 4.33Å; L623-V700 CarbonylContact O-C 3.47Å; L623-V700 WeakPolarHBondContact O-CA 3.49Å; L623-I701 PolarHBondContact O-N 3.36Å; L623-R736 HydrophobicContact CD2-CB 4.07Å; L623-R736 HydrophobicContact CD2-CG 4.23Å
624	V	95.6	Very high	89.7	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.5	177.6	-173	0	0	0	0	109	C606 V610 I622 L626 V681 V682 V683 A684 I701	C606-V624 HydrophobicContact CB-CG1 4.19Å; V610-V624 HydrophobicContact CG2-CG2 3.55Å; I622-V624 HydrophobicContact CG2-CG2 4.06Å; V624-L626 HydrophobicContact CG1-CG 4.29Å; V624-V681 HydrophobicContact CG2-CG1 4.05Å; V624-V682 PolarHBondContact N-O 2.94Å; V624-V683 HydrophobicContact CB-CG1 4.38Å; V624-A684 PolarHBondContact O-N 3.44Å; V624-I701 HydrophobicContact CG1-CB 4.39Å; V624-I701 HydrophobicContact CG1-CG2 4.45Å; V624-I701 HydrophobicContact CG2-CB 4.36Å; V624-I701 HydrophobicContact CG2-CD1 4.13Å
625	F	95.6	Very high	89.9	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	126.4	173.4	-71.9	-80.9	0	0	0	111	L623 A684 A688 E689 V700 I701 P703 R733 R736	L623-F625 HydrophobicContact CD2-CE1 4.39Å; L623-F625 HydrophobicContact CD2-CE2 3.72Å; L623-F625 HydrophobicContact CD2-CZ 3.55Å; L623-F625 HydrophobicContact CG-CE2 4.08Å; L623-F625 HydrophobicContact CG-CZ 4.21Å; F625-A684 CarbonylContact C-O 3.56Å; F625-A684 VanDerWaalsContact CA-O 3.32Å; F625-A684 WeakPolarHBondContact CA-O 3.41Å; F625-A688 HydrophobicContact CE1-CB 3.97Å; F625-A688 HydrophobicContact CZ-CB 4.33Å; F625-E689 HydrophobicContact CE1-CB 4.25Å; F625-V700 HydrophobicContact CD2-CG1 4.02Å; F625-V700 HydrophobicContact CE2-CG1 3.78Å; F625-I701 PolarHBondContact N-O 3.33Å; F625-P703 WeakPolarHBondContact O-CD 3.41Å; F625-P703 WeakPolarHBondContact O-CG 3.19Å; F625-R733 HydrophobicContact CD1-CG 4.21Å; F625-R733 HydrophobicContact CD2-CB 3.98Å; F625-R733 HydrophobicContact CD2-CG 3.87Å; F625-R733 HydrophobicContact CE1-CG 3.95Å; F625-R733 HydrophobicContact CE2-CB 3.54Å; F625-R733 HydrophobicContact CE2-CG 3.6Å; F625-R733 HydrophobicContact CG-CG 4.17Å; F625-R733 HydrophobicContact CZ-CB 3.97Å; F625-R733 HydrophobicContact CZ-CG 3.64Å; F625-R736 HydrophobicContact CZ-CG 4.46Å
626	L	94.6	Very high	90.1	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.193	C	C	.	.			trans	-133.1	168.4	173.1	-69.8	-179.9	0	0	0	110.9	Y602 V624 E631 I632 C635 V683 A684 T685 P703	Y602-L626 HydrophobicContact CD2-CD2 4.41Å; Y602-L626 HydrophobicContact CE2-CD2 4.33Å; V624-L626 HydrophobicContact CG1-CG 4.29Å; L626-E631 HydrophobicContact CB-CB 4.49Å; L626-E631 HydrophobicContact CD1-CB 4.38Å; L626-I632 HydrophobicContact CB-CG1 3.82Å; L626-I632 HydrophobicContact CD1-CG1 4.2Å; L626-C635 HydrophobicContact CD1-CB 3.59Å; L626-V683 HydrophobicContact CD1-CG1 3.46Å; L626-V683 VanDerWaalsContact CD1-CG1 3.46Å; L626-V683 HydrophobicContact CG-CG1 4.08Å; L626-A684 PolarHBondContact N-O 2.94Å; L626-T685 WeakPolarHBondContact O-CA 3.49Å; L626-P703 HydrophobicContact CD2-CG 4.44Å
627	T	91.2	Very high	90.3	Very high	8 Å²	8	35 Å²	35	5%	0.049	19%	0.193	C	C	.	.	S	Bend	trans	-88.2	-26	-165	80.1	0	0	0	0	113.7	E631 F705 K707 V722	T627-E631 WeakPolarHBondContact CB-OE2 3.33Å; T627-E631 WeakPolarHBondContact CG2-OE2 3.1Å; T627-E631 PolarHBondContact N-OE2 3.34Å; T627-E631 PolarHBondContact OG1-OE1 3.3Å; T627-E631 PolarHBondContact OG1-OE2 3.33Å; T627-F705 HydrophobicContact CG2-CB 3.6Å; T627-K707 WeakPolarHBondContact O-CD 3.2Å; T627-K707 WeakPolarHBondContact O-CG 3.38Å; T627-K707 WeakPolarHBondContact OG1-CE 3.33Å; T627-V722 HydrophobicContact CG2-CG1 3.95Å
628	G	87.9	Confident	90.4	Very high	8 Å²	8	35.4 Å²	35.4	8%	0.082	20%	0.195	C	C	.	.	S	Bend	trans	-169.9	179.3	-178.5	0	0	0	0	0	115.1	E630 E631 I632	G628-E630 PolarHBondContact O-N 3.1Å; G628-E631 PolarHBondContact O-N 3.37Å; G628-I632 WeakPolarHBondContact O-CD1 3.02Å; G628-I632 WeakPolarHBondContact O-CG1 3.47Å; G628-I632 PolarHBondContact O-N 3.19Å
629	Q	84.1	Confident	90.5	Very high	73 Å²	73	31.6 Å²	31.6	34%	0.341	17%	0.171	S	C	.	.	H	α-helix	trans	-55.2	-49.6	-173.5	175.6	175.9	-2.6	0	0	113.5	E631 I632 E633 Y659	Q629-E631 VanDerWaalsContact C-N 3.34Å; Q629-E631 PolarHBondContact O-N 3.42Å; Q629-I632 PolarHBondContact O-N 3.25Å; Q629-I632 VanDerWaalsContact O-N 3.16Å; Q629-E633 HydrophobicContact CG-CG 4.33Å; Q629-E633 WeakPolarHBondContact CG-OE1 3.27Å; Q629-E633 PolarHBondContact NE2-OE1 3.4Å; Q629-E633 WeakPolarHBondContact O-CG 3.49Å; Q629-E633 PolarHBondContact O-N 3.08Å; Q629-Y659 HydrophobicContact CB-CD1 4.31Å; Q629-Y659 HydrophobicContact CB-CD2 4.17Å; Q629-Y659 HydrophobicContact CB-CE1 4.39Å; Q629-Y659 HydrophobicContact CB-CE2 4.29Å; Q629-Y659 HydrophobicContact CB-CG 4.2Å; Q629-Y659 HydrophobicContact CG-CD1 4.27Å; Q629-Y659 HydrophobicContact CG-CD2 4.21Å; Q629-Y659 HydrophobicContact CG-CE1 3.85Å; Q629-Y659 HydrophobicContact CG-CE2 3.82Å; Q629-Y659 HydrophobicContact CG-CG 4.44Å; Q629-Y659 PolarHBondContact NE2-OH 2.86Å
630	E	83.6	Confident	90.6	Very high	157 Å²	157	30 Å²	30	73%	0.734	15%	0.153	S	C	*	.	H	α-helix	trans	-59.2	-44.8	-176.2	-66.8	173.6	178.8	0	0	111.9	G628 A634	G628-E630 PolarHBondContact O-N 3.1Å; E630-A634 VanDerWaalsContact O-CB 3.31Å; E630-A634 WeakPolarHBondContact O-CB 3.36Å; E630-A634 PolarHBondContact O-N 3.03Å
631	E	89.4	Confident	90.6	Very high	35 Å²	35	34.1 Å²	34.1	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-41.2	175.6	-67.5	178.9	-176.2	0	0	112.1	Y602 L603 L626 T627 G628 Q629 A634 C635	Y602-E631 PolarHBondContact OH-OE1 3.12Å; L603-E631 HydrophobicContact CD1-CB 3.9Å; L603-E631 HydrophobicContact CD1-CG 4.13Å; L626-E631 HydrophobicContact CB-CB 4.49Å; L626-E631 HydrophobicContact CD1-CB 4.38Å; T627-E631 WeakPolarHBondContact CB-OE2 3.33Å; T627-E631 WeakPolarHBondContact CG2-OE2 3.1Å; T627-E631 PolarHBondContact N-OE2 3.34Å; T627-E631 PolarHBondContact OG1-OE1 3.3Å; T627-E631 PolarHBondContact OG1-OE2 3.33Å; G628-E631 PolarHBondContact O-N 3.37Å; Q629-E631 VanDerWaalsContact C-N 3.34Å; Q629-E631 PolarHBondContact O-N 3.42Å; E631-A634 PolarHBondContact O-N 3.42Å; E631-C635 VanDerWaalsContact O-CB 3.22Å; E631-C635 WeakPolarHBondContact O-CB 3.46Å; E631-C635 PolarHBondContact O-N 3.43Å
632	I	91.4	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-47.6	179.6	-70.5	168.2	0	0	0	110.4	L626 G628 Q629 C635 C636 P657 Y659 V683 T685	L626-I632 HydrophobicContact CB-CG1 3.82Å; L626-I632 HydrophobicContact CD1-CG1 4.2Å; G628-I632 WeakPolarHBondContact O-CD1 3.02Å; G628-I632 WeakPolarHBondContact O-CG1 3.47Å; G628-I632 PolarHBondContact O-N 3.19Å; Q629-I632 PolarHBondContact O-N 3.25Å; Q629-I632 VanDerWaalsContact O-N 3.16Å; I632-C635 PolarHBondContact O-N 2.87Å; I632-C636 WeakPolarHBondContact O-CB 3.22Å; I632-C636 PolarHBondContact O-N 3.16Å; I632-C636 PolarHBondContact O-SG 3.07Å; I632-P657 HydrophobicContact CG2-CB 3.48Å; I632-P657 VanDerWaalsContact CG2-CB 3.48Å; I632-Y659 HydrophobicContact CB-CD1 4.42Å; I632-Y659 HydrophobicContact CD1-CD1 4.17Å; I632-Y659 HydrophobicContact CG2-CD1 4.09Å; I632-Y659 HydrophobicContact CG2-CE1 4.45Å; I632-V683 HydrophobicContact CB-CG1 4.3Å; I632-V683 HydrophobicContact CG1-CG1 4.06Å; I632-V683 HydrophobicContact CG2-CB 4.15Å; I632-V683 HydrophobicContact CG2-CG1 3.98Å; I632-T685 HydrophobicContact CD1-CG2 3.5Å; I632-T685 VanDerWaalsContact CD1-CG2 3.5Å
633	E	88.7	Confident	89.8	Confident	47 Å²	47	37.9 Å²	37.9	22%	0.22	19%	0.186	C	C	.	.	H	α-helix	trans	-65.2	-43.9	179.2	-72.2	176	-174	0	0	111.2	Q629 C635 C636 E637 Y659	Q629-E633 HydrophobicContact CG-CG 4.33Å; Q629-E633 WeakPolarHBondContact CG-OE1 3.27Å; Q629-E633 PolarHBondContact NE2-OE1 3.4Å; Q629-E633 WeakPolarHBondContact O-CG 3.49Å; Q629-E633 PolarHBondContact O-N 3.08Å; E633-C635 PolarHBondContact O-N 3.4Å; E633-C636 PolarHBondContact O-N 3.3Å; E633-E637 WeakPolarHBondContact O-CB 3.27Å; E633-E637 WeakPolarHBondContact O-CG 3.26Å; E633-E637 PolarHBondContact O-N 3.49Å; E633-Y659 HydrophobicContact CG-CE1 4.41Å; E633-Y659 PolarHBondContact OE1-OH 2.79Å
634	A	87.8	Confident	89.3	Confident	30 Å²	30	47 Å²	47	25%	0.248	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-45.1	175.5	0	0	0	0	0	112.1	E630 E631 C636 E637 M638	E630-A634 VanDerWaalsContact O-CB 3.31Å; E630-A634 WeakPolarHBondContact O-CB 3.36Å; E630-A634 PolarHBondContact O-N 3.03Å; E631-A634 PolarHBondContact O-N 3.42Å; A634-C636 PolarHBondContact O-N 3.03Å; A634-E637 PolarHBondContact O-N 3.09Å; A634-M638 WeakPolarHBondContact O-CB 3.31Å; A634-M638 VanDerWaalsContact O-CG 3.27Å; A634-M638 WeakPolarHBondContact O-CG 3.38Å; A634-M638 PolarHBondContact O-N 3.49Å
635	C	92.3	Very high	88.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176	-178.3	0	0	0	0	111.7	L603 L626 E631 I632 E633 M638 L639	L603-C635 HydrophobicContact CG-CB 4.5Å; L626-C635 HydrophobicContact CD1-CB 3.59Å; E631-C635 VanDerWaalsContact O-CB 3.22Å; E631-C635 WeakPolarHBondContact O-CB 3.46Å; E631-C635 PolarHBondContact O-N 3.43Å; I632-C635 PolarHBondContact O-N 2.87Å; E633-C635 PolarHBondContact O-N 3.4Å; C635-M638 PolarHBondContact O-N 2.84Å; C635-L639 WeakPolarHBondContact O-CB 3.37Å; C635-L639 VanDerWaalsContact O-CG 3.28Å; C635-L639 WeakPolarHBondContact O-CG 3.34Å; C635-L639 PolarHBondContact O-N 2.87Å
636	C	90.9	Very high	87.8	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.061	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-45.3	175	-68.2	0	0	0	0	112.1	I632 E633 A634 L639 Q640 V655	I632-C636 WeakPolarHBondContact O-CB 3.22Å; I632-C636 PolarHBondContact O-N 3.16Å; I632-C636 PolarHBondContact O-SG 3.07Å; E633-C636 PolarHBondContact O-N 3.3Å; A634-C636 PolarHBondContact O-N 3.03Å; C636-L639 PolarHBondContact O-N 3.39Å; C636-Q640 WeakPolarHBondContact O-CB 3.45Å; C636-Q640 VanDerWaalsContact O-CG 3.27Å; C636-Q640 WeakPolarHBondContact O-CG 3.38Å; C636-Q640 PolarHBondContact O-N 3.06Å; C636-V655 HydrophobicContact CB-CG1 3.99Å
637	E	89.7	Confident	86.8	Confident	99 Å²	99	60 Å²	60	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-48.3	177	-73.4	167.7	-157.5	0	0	110.8	E633 A634 L639 Q640 E641 K869	E633-E637 WeakPolarHBondContact O-CB 3.27Å; E633-E637 WeakPolarHBondContact O-CG 3.26Å; E633-E637 PolarHBondContact O-N 3.49Å; A634-E637 PolarHBondContact O-N 3.09Å; E637-L639 PolarHBondContact O-N 3.23Å; E637-Q640 PolarHBondContact O-N 2.98Å; E637-E641 WeakPolarHBondContact O-CB 3.37Å; E637-E641 PolarHBondContact O-N 2.83Å; E637-K869 IonicContact OE1-NZ 3.42Å; E637-K869 PolarHBondContact OE1-NZ 2.99Å; E637-K869 IonicContact OE2-NZ 3.52Å
638	M	89.8	Confident	85.9	Confident	51 Å²	51	65.8 Å²	65.8	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-61.9	-42.7	177.8	-71.8	174.4	68.9	0	0	112.6	L603 D604 V607 A634 C635 E641 R642	L603-M638 HydrophobicContact CD2-CE 4.18Å; L603-M638 HydrophobicContact CD2-SD 3.42Å; L603-M638 WeakPolarHBondContact CD2-SD 3.22Å; D604-M638 WeakPolarHBondContact OD1-CE 3.39Å; V607-M638 HydrophobicContact CG1-CB 4.44Å; V607-M638 HydrophobicContact CG2-CB 4.1Å; V607-M638 HydrophobicContact CG2-CE 4.27Å; A634-M638 WeakPolarHBondContact O-CB 3.31Å; A634-M638 VanDerWaalsContact O-CG 3.27Å; A634-M638 WeakPolarHBondContact O-CG 3.38Å; A634-M638 PolarHBondContact O-N 3.49Å; C635-M638 PolarHBondContact O-N 2.84Å; M638-E641 PolarHBondContact O-N 3.27Å; M638-R642 WeakPolarHBondContact O-CB 3.47Å; M638-R642 WeakPolarHBondContact O-CG 3.26Å; M638-R642 PolarHBondContact O-N 3.48Å
639	L	90.4	Very high	85.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-46.3	176.2	-78	169.2	0	0	0	111.3	V607 V610 L611 C635 C636 E637 R642 C643 V655 V681 V683	V607-L639 HydrophobicContact CB-CD2 4.4Å; V607-L639 HydrophobicContact CG1-CD2 3.9Å; V607-L639 HydrophobicContact CG1-CG 4.3Å; V607-L639 HydrophobicContact CG2-CG 4.29Å; V610-L639 HydrophobicContact CB-CD2 3.84Å; V610-L639 HydrophobicContact CG1-CD1 4.41Å; V610-L639 HydrophobicContact CG1-CD2 3.61Å; V610-L639 HydrophobicContact CG2-CD2 4.43Å; L611-L639 HydrophobicContact CD2-CD2 4.48Å; L611-L639 HydrophobicContact CG-CD2 4.36Å; C635-L639 WeakPolarHBondContact O-CB 3.37Å; C635-L639 VanDerWaalsContact O-CG 3.28Å; C635-L639 WeakPolarHBondContact O-CG 3.34Å; C635-L639 PolarHBondContact O-N 2.87Å; C636-L639 PolarHBondContact O-N 3.39Å; E637-L639 PolarHBondContact O-N 3.23Å; L639-R642 PolarHBondContact O-N 3.17Å; L639-C643 VanDerWaalsContact O-CB 3.29Å; L639-C643 WeakPolarHBondContact O-CB 3.38Å; L639-C643 PolarHBondContact O-N 3.07Å; L639-C643 PolarHBondContact O-SG 3.12Å; L639-V655 HydrophobicContact CB-CG2 4.13Å; L639-V655 HydrophobicContact CD1-CG1 4.18Å; L639-V681 HydrophobicContact CD1-CG1 4.36Å; L639-V683 HydrophobicContact CD1-CG2 4.29Å
640	Q	88.9	Confident	84.8	Confident	85 Å²	85	70.3 Å²	70.3	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-63.8	-41.4	178.1	-73.2	177.5	10.9	0	0	111.7	C636 E637 C643 R644 V655	C636-Q640 WeakPolarHBondContact O-CB 3.45Å; C636-Q640 VanDerWaalsContact O-CG 3.27Å; C636-Q640 WeakPolarHBondContact O-CG 3.38Å; C636-Q640 PolarHBondContact O-N 3.06Å; E637-Q640 PolarHBondContact O-N 2.98Å; Q640-C643 PolarHBondContact O-N 2.91Å; Q640-R644 VanDerWaalsContact O-CG 3.26Å; Q640-R644 WeakPolarHBondContact O-CG 3.41Å; Q640-R644 PolarHBondContact O-N 2.9Å; Q640-V655 HydrophobicContact CG-CG2 4.45Å
641	E	88.1	Confident	84.7	Confident	98 Å²	98	65.2 Å²	65.2	46%	0.458	33%	0.328	S	S	.	.	H	α-helix	trans	-63.9	-48.3	177.4	-168.6	-175.2	173.3	0	0	111.7	E637 M638 C643 R644 R645	E637-E641 WeakPolarHBondContact O-CB 3.37Å; E637-E641 PolarHBondContact O-N 2.83Å; M638-E641 PolarHBondContact O-N 3.27Å; E641-C643 VanDerWaalsContact C-N 3.35Å; E641-C643 PolarHBondContact O-N 3.02Å; E641-R644 WeakPolarHBondContact O-CB 3.3Å; E641-R644 PolarHBondContact O-N 3.07Å; E641-R645 WeakPolarHBondContact O-CG 3.42Å; E641-R645 PolarHBondContact O-N 3.09Å; E641-R645 IonicContact OE1-CZ 3.62Å; E641-R645 IonicContact OE1-NE 2.76Å; E641-R645 IonicContact OE1-NH2 3.49Å; E641-R645 PolarHBondContact OE1-NH2 2.92Å
642	R	86.1	Confident	84.6	Confident	68 Å²	68	70 Å²	70	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-38.4	177.7	-71	-171.4	-175.4	-172.8	4.5	112	D604 L611 M638 L639 R644 R645 L646	D604-R642 IonicContact OD1-CZ 3.65Å; D604-R642 IonicContact OD1-NH1 2.73Å; D604-R642 IonicContact OD1-NH2 3.5Å; D604-R642 PolarHBondContact OD1-NH2 3.33Å; D604-R642 IonicContact OD2-NH2 3.35Å; L611-R642 HydrophobicContact CD1-CB 3.74Å; L611-R642 HydrophobicContact CD1-CG 4.29Å; M638-R642 WeakPolarHBondContact O-CB 3.47Å; M638-R642 WeakPolarHBondContact O-CG 3.26Å; M638-R642 PolarHBondContact O-N 3.48Å; L639-R642 PolarHBondContact O-N 3.17Å; R642-R644 PolarHBondContact O-N 3.09Å; R642-R645 PolarHBondContact O-N 3.4Å; R642-L646 WeakPolarHBondContact O-CG 3.44Å; R642-L646 PolarHBondContact O-N 3.22Å
643	C	84.6	Confident	84.5	Confident	22 Å²	22	71.2 Å²	71.2	15%	0.149	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-41.4	173.9	-70.9	0	0	0	0	112	L639 Q640 E641 R645 L646 G647 I650 L653	L639-C643 VanDerWaalsContact O-CB 3.29Å; L639-C643 WeakPolarHBondContact O-CB 3.38Å; L639-C643 PolarHBondContact O-N 3.07Å; L639-C643 PolarHBondContact O-SG 3.12Å; Q640-C643 PolarHBondContact O-N 2.91Å; E641-C643 VanDerWaalsContact C-N 3.35Å; E641-C643 PolarHBondContact O-N 3.02Å; C643-R645 VanDerWaalsContact C-N 3.31Å; C643-R645 PolarHBondContact O-N 2.96Å; C643-L646 PolarHBondContact O-N 3.47Å; C643-G647 PolarHBondContact O-N 2.82Å; C643-I650 HydrophobicContact CB-CD1 4.2Å; C643-L653 WeakPolarHBondContact SG-CD2 3.39Å
644	R	84.1	Confident	84.6	Confident	194 Å²	194	70.9 Å²	70.9	73%	0.732	36%	0.358	S	S	*	.	H	α-helix	trans	-62.1	-37.7	174.9	-73.7	172.8	-172.7	174.6	5.8	112.2	Q640 E641 R642 G647	Q640-R644 VanDerWaalsContact O-CG 3.26Å; Q640-R644 WeakPolarHBondContact O-CG 3.41Å; Q640-R644 PolarHBondContact O-N 2.9Å; E641-R644 WeakPolarHBondContact O-CB 3.3Å; E641-R644 PolarHBondContact O-N 3.07Å; R642-R644 PolarHBondContact O-N 3.09Å; R644-G647 PolarHBondContact O-N 3.21Å
645	R	82.4	Confident	84.9	Confident	184 Å²	184	70.2 Å²	70.2	69%	0.694	35%	0.351	S	S	*	.	H	α-helix	trans	-67.3	-38.4	176	-68.2	179.5	-169.9	-176.3	3.2	112.6	E641 R642 C643 G647	E641-R645 WeakPolarHBondContact O-CG 3.42Å; E641-R645 PolarHBondContact O-N 3.09Å; E641-R645 IonicContact OE1-CZ 3.62Å; E641-R645 IonicContact OE1-NE 2.76Å; E641-R645 IonicContact OE1-NH2 3.49Å; E641-R645 PolarHBondContact OE1-NH2 2.92Å; R642-R645 PolarHBondContact O-N 3.4Å; C643-R645 VanDerWaalsContact C-N 3.31Å; C643-R645 PolarHBondContact O-N 2.96Å; R645-G647 VanDerWaalsContact C-N 3.3Å
646	L	77	Confident	84.9	Confident	51 Å²	51	71.5 Å²	71.5	27%	0.267	36%	0.358	S	S	.	.	H	α-helix	trans	-71.7	-26	177.3	-69.9	165.4	0	0	0	112.3	L611 R642 C643 K649 I650	L611-L646 HydrophobicContact CD2-CD1 4.17Å; R642-L646 WeakPolarHBondContact O-CG 3.44Å; R642-L646 PolarHBondContact O-N 3.22Å; C643-L646 PolarHBondContact O-N 3.47Å; L646-K649 WeakPolarHBondContact O-CB 3.43Å; L646-K649 PolarHBondContact O-N 3Å; L646-I650 HydrophobicContact CB-CD1 3.74Å; L646-I650 HydrophobicContact CB-CG1 3.94Å; L646-I650 HydrophobicContact CB-CG2 4.27Å; L646-I650 HydrophobicContact CD1-CD1 3.94Å; L646-I650 HydrophobicContact CD1-CG2 4.4Å
647	G	73.9	Confident	84.9	Confident	41 Å²	41	72.7 Å²	72.7	42%	0.423	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	61.4	-135.7	169.2	0	0	0	0	0	113	C643 R644 R645 K649	C643-G647 PolarHBondContact O-N 2.82Å; R644-G647 PolarHBondContact O-N 3.21Å; R645-G647 VanDerWaalsContact C-N 3.3Å; G647-K649 PolarHBondContact O-N 3.42Å
648	S	72.6	Confident	84.8	Confident	129 Å²	129	68.1 Å²	68.1	90%	0.902	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-74.6	0.3	-178.8	56.7	0	0	0	0	114.9	I650	S648-I650 VanDerWaalsContact C-N 3.27Å
649	K	71	Confident	84.5	Confident	143 Å²	143	66.6 Å²	66.6	62%	0.622	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-75.5	-17.7	178.8	-62.7	-179	179.1	179.9	0	112.9	L646 G647	L646-K649 WeakPolarHBondContact O-CB 3.43Å; L646-K649 PolarHBondContact O-N 3Å; G647-K649 PolarHBondContact O-N 3.42Å
650	I	78.6	Confident	83.7	Confident	33 Å²	33	70.2 Å²	70.2	17%	0.169	37%	0.366	C	S	.	.	S	Bend	trans	-122.4	153.1	-178.1	59	167.2	0	0	0	110.8	V615 C643 L646 S648	V615-I650 HydrophobicContact CG2-CG2 3.92Å; C643-I650 HydrophobicContact CB-CD1 4.2Å; L646-I650 HydrophobicContact CB-CD1 3.74Å; L646-I650 HydrophobicContact CB-CG1 3.94Å; L646-I650 HydrophobicContact CB-CG2 4.27Å; L646-I650 HydrophobicContact CD1-CD1 3.94Å; L646-I650 HydrophobicContact CD1-CG2 4.4Å; S648-I650 VanDerWaalsContact C-N 3.27Å
651	A	81.8	Confident	82.8	Confident	51 Å²	51	69.7 Å²	69.7	42%	0.421	37%	0.366	S	S	.	.			trans	-60.9	157.1	168.6	0	0	0	0	0	111.2	H614 L653 G677	H614-A651 PolarHBondContact NE2-O 3.36Å; A651-L653 PolarHBondContact O-N 3.16Å; A651-G677 WeakPolarHBondContact CB-O 3.41Å
652	E	87	Confident	81.9	Confident	136 Å²	136	65.4 Å²	65.4	64%	0.636	35%	0.346	S	S	*	.			trans	-61.3	132.6	178.4	-173.1	177.6	-178.9	0	0	111.1	A678 R679	E652-A678 HydrophobicContact CB-CB 3.98Å; E652-A678 HydrophobicContact CG-CB 4.5Å; E652-A678 CarbonylContact O-C 3.58Å; E652-A678 VanDerWaalsContact O-CA 3.25Å; E652-A678 WeakPolarHBondContact O-CA 3.26Å; E652-A678 WeakPolarHBondContact O-CB 3.37Å; E652-R679 PolarHBondContact O-N 2.86Å
653	L	89.5	Confident	81.1	Confident	25 Å²	25	64.2 Å²	64.2	13%	0.131	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.7	178.7	-165.3	75.9	0	0	0	110	V610 H614 C643 A651 V655 R679 V681	V610-L653 HydrophobicContact CG1-CD2 4.38Å; H614-L653 HydrophobicContact CB-CD1 4.38Å; C643-L653 WeakPolarHBondContact SG-CD2 3.39Å; A651-L653 PolarHBondContact O-N 3.16Å; L653-V655 HydrophobicContact CD2-CG2 3.97Å; L653-V655 HydrophobicContact CG-CG2 4.2Å; L653-R679 WeakPolarHBondContact CA-O 3.49Å; L653-R679 HydrophobicContact CD1-CB 4.1Å; L653-R679 HydrophobicContact CD1-CG 4.45Å; L653-V681 HydrophobicContact CD1-CG2 3.39Å; L653-V681 HydrophobicContact CD2-CG2 3.98Å; L653-V681 HydrophobicContact CG-CG2 3.77Å
654	V	91.3	Very high	80.2	Confident	40 Å²	40	64.5 Å²	64.5	24%	0.242	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.4	178.1	-176.6	0	0	0	0	109	L656 R679 K680 V681	V654-L656 HydrophobicContact CG1-CD1 4.42Å; V654-L656 HydrophobicContact CG1-CD2 4.35Å; V654-L656 HydrophobicContact CG1-CG 4.15Å; V654-R679 PolarHBondContact N-O 3.18Å; V654-K680 CarbonylContact O-C 3.5Å; V654-K680 WeakPolarHBondContact O-CA 3.21Å; V654-V681 PolarHBondContact O-N 3.32Å
655	V	92.8	Very high	79.6	Confident	16 Å²	16	61.5 Å²	61.5	10%	0.097	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.1	-178.3	-173.5	0	0	0	0	110.3	C636 L639 Q640 L653 V681 V683	C636-V655 HydrophobicContact CB-CG1 3.99Å; L639-V655 HydrophobicContact CB-CG2 4.13Å; L639-V655 HydrophobicContact CD1-CG1 4.18Å; Q640-V655 HydrophobicContact CG-CG2 4.45Å; L653-V655 HydrophobicContact CD2-CG2 3.97Å; L653-V655 HydrophobicContact CG-CG2 4.2Å; V655-V681 WeakPolarHBondContact CA-O 3.25Å; V655-V683 HydrophobicContact CG1-CG2 4.31Å
656	L	92.1	Very high	79.2	Confident	26 Å²	26	56.4 Å²	56.4	14%	0.136	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.7	-178.6	-63	176.4	0	0	0	111.3	V654 K669 I670 K680 V681 V682 V683	V654-L656 HydrophobicContact CG1-CD1 4.42Å; V654-L656 HydrophobicContact CG1-CD2 4.35Å; V654-L656 HydrophobicContact CG1-CG 4.15Å; L656-K669 HydrophobicContact CD2-CB 4.46Å; L656-I670 HydrophobicContact CB-CG2 4.43Å; L656-K680 HydrophobicContact CD1-CD 3.9Å; L656-K680 HydrophobicContact CD1-CG 4.17Å; L656-V681 PolarHBondContact N-O 3.48Å; L656-V682 WeakPolarHBondContact O-CA 3.36Å; L656-V683 PolarHBondContact O-N 3.2Å
657	P	91.2	Very high	79.1	Confident	35 Å²	35	56 Å²	56	23%	0.227	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	150.4	174.4	32.5	-34	0	0	0	111.7	I632 Y659 L662 V683	I632-P657 HydrophobicContact CG2-CB 3.48Å; I632-P657 VanDerWaalsContact CG2-CB 3.48Å; P657-Y659 HydrophobicContact CB-CD1 4.47Å; P657-Y659 HydrophobicContact CB-CE1 4.23Å; P657-L662 WeakPolarHBondContact O-CD2 3.39Å; P657-V683 CarbonylContact C-O 3.55Å; P657-V683 WeakPolarHBondContact CA-O 3.49Å
658	I	87.1	Confident	79.2	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	121.2	165.7	-179	165.6	0	0	0	112.4	I670 V682 V683 A684 T685 I687 L692	I658-I670 HydrophobicContact CB-CG2 4.46Å; I658-I670 HydrophobicContact CD1-CD1 3.4Å; I658-V682 HydrophobicContact CG2-CG1 3.67Å; I658-V683 PolarHBondContact N-O 3.42Å; I658-A684 VanDerWaalsContact CG2-CA 3.48Å; I658-A684 HydrophobicContact CG2-CB 3.26Å; I658-A684 WeakPolarHBondContact O-CA 3.48Å; I658-T685 PolarHBondContact O-N 3.16Å; I658-I687 HydrophobicContact CD1-CG2 4.41Å; I658-L692 HydrophobicContact CD1-CD1 3.67Å
659	Y	83.9	Confident	79.7	Confident	20 Å²	20	56.4 Å²	56.4	8%	0.078	31%	0.314	C	S	.	.			trans	-150.9	165.6	174.5	52.8	-100.7	0	0	0	110	Q629 I632 E633 P657 N661 L662	Q629-Y659 HydrophobicContact CB-CD1 4.31Å; Q629-Y659 HydrophobicContact CB-CD2 4.17Å; Q629-Y659 HydrophobicContact CB-CE1 4.39Å; Q629-Y659 HydrophobicContact CB-CE2 4.29Å; Q629-Y659 HydrophobicContact CB-CG 4.2Å; Q629-Y659 HydrophobicContact CG-CD1 4.27Å; Q629-Y659 HydrophobicContact CG-CD2 4.21Å; Q629-Y659 HydrophobicContact CG-CE1 3.85Å; Q629-Y659 HydrophobicContact CG-CE2 3.82Å; Q629-Y659 HydrophobicContact CG-CG 4.44Å; Q629-Y659 PolarHBondContact NE2-OH 2.86Å; I632-Y659 HydrophobicContact CB-CD1 4.42Å; I632-Y659 HydrophobicContact CD1-CD1 4.17Å; I632-Y659 HydrophobicContact CG2-CD1 4.09Å; I632-Y659 HydrophobicContact CG2-CE1 4.45Å; E633-Y659 HydrophobicContact CG-CE1 4.41Å; E633-Y659 PolarHBondContact OE1-OH 2.79Å; P657-Y659 HydrophobicContact CB-CD1 4.47Å; P657-Y659 HydrophobicContact CB-CE1 4.23Å; Y659-N661 VanDerWaalsContact C-N 3.32Å; Y659-N661 HydrophobicContact CD2-CB 4.15Å; Y659-N661 HydrophobicContact CE2-CB 4.16Å; Y659-N661 PolarHBondContact O-N 3.41Å; Y659-L662 HydrophobicContact CD2-CB 4.03Å; Y659-L662 HydrophobicContact CE1-CD1 4.16Å; Y659-L662 HydrophobicContact CE2-CB 3.87Å; Y659-L662 HydrophobicContact CE2-CD1 4.22Å; Y659-L662 HydrophobicContact CG-CB 4.47Å; Y659-L662 VanDerWaalsContact O-CB 3.26Å; Y659-L662 WeakPolarHBondContact O-CB 3.45Å; Y659-L662 PolarHBondContact O-N 3.34Å; Y659-L662 VanDerWaalsContact O-N 3.08Å
660	A	74.3	Confident	80.3	Confident	76 Å²	76	49.6 Å²	49.6	63%	0.628	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-38.4	-168.4	0	0	0	0	0	114.7	L662 I687	A660-L662 VanDerWaalsContact C-N 3.3Å; A660-L662 PolarHBondContact O-N 3.31Å; A660-I687 HydrophobicContact CB-CD1 4.05Å
661	N	68.9	Low	80.6	Confident	74 Å²	74	53.2 Å²	53.2	40%	0.396	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.9	-178	-68.1	-9.5	0	0	0	114	Y659	Y659-N661 VanDerWaalsContact C-N 3.32Å; Y659-N661 HydrophobicContact CD2-CB 4.15Å; Y659-N661 HydrophobicContact CE2-CB 4.16Å; Y659-N661 PolarHBondContact O-N 3.41Å
662	L	70.6	Confident	80.6	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.042	30%	0.297	C	S	.	.	S	Bend	trans	-70.3	138	-176.8	-170.2	71.8	0	0	0	110.9	P657 Y659 A660 M666 Q667	P657-L662 WeakPolarHBondContact O-CD2 3.39Å; Y659-L662 HydrophobicContact CD2-CB 4.03Å; Y659-L662 HydrophobicContact CE1-CD1 4.16Å; Y659-L662 HydrophobicContact CE2-CB 3.87Å; Y659-L662 HydrophobicContact CE2-CD1 4.22Å; Y659-L662 HydrophobicContact CG-CB 4.47Å; Y659-L662 VanDerWaalsContact O-CB 3.26Å; Y659-L662 WeakPolarHBondContact O-CB 3.45Å; Y659-L662 PolarHBondContact O-N 3.34Å; Y659-L662 VanDerWaalsContact O-N 3.08Å; A660-L662 VanDerWaalsContact C-N 3.3Å; A660-L662 PolarHBondContact O-N 3.31Å; L662-M666 HydrophobicContact CD1-CB 4.12Å; L662-M666 HydrophobicContact CD1-CE 4.47Å; L662-M666 HydrophobicContact CD1-SD 4.04Å; L662-M666 HydrophobicContact CD2-CB 3.88Å; L662-M666 HydrophobicContact CG-CB 3.85Å; L662-Q667 HydrophobicContact CB-CG 4.08Å; L662-Q667 HydrophobicContact CD2-CG 3.99Å; L662-Q667 HydrophobicContact CG-CG 4.25Å; L662-Q667 PolarHBondContact O-NE2 2.93Å
663	P	67.9	Low	80.5	Confident	42 Å²	42	51.2 Å²	51.2	27%	0.273	30%	0.295	S	S	.	.			trans	-58.2	148.2	177	-29.6	38.3	0	0	0	114.7	D665 M666 Q667	P663-D665 VanDerWaalsContact C-N 3.32Å; P663-D665 PolarHBondContact O-N 2.79Å; P663-M666 HydrophobicContact CB-CE 4.23Å; P663-M666 HydrophobicContact CG-CE 3.75Å; P663-M666 PolarHBondContact O-N 3.29Å; P663-Q667 PolarHBondContact O-N 3.44Å
664	S	66	Low	80.4	Confident	28 Å²	28	51.9 Å²	51.9	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-35.8	-59.1	175.3	41.7	0	0	0	0	114.2	M666 Q667 A668 R917	S664-M666 VanDerWaalsContact C-N 3.27Å; S664-M666 PolarHBondContact O-N 3Å; S664-Q667 PolarHBondContact O-N 3.16Å; S664-A668 PolarHBondContact O-N 3.45Å; S664-R917 PolarHBondContact OG-NH1 2.81Å; S664-R917 PolarHBondContact OG-NH2 3.42Å
665	D	71.4	Confident	80.1	Confident	132 Å²	132	53 Å²	53	71%	0.706	31%	0.308	S	S	*	.	H	α-helix	trans	-67.9	-31.7	-171	-45	-29.8	0	0	0	111.4	P663 K669	P663-D665 VanDerWaalsContact C-N 3.32Å; P663-D665 PolarHBondContact O-N 2.79Å; D665-K669 WeakPolarHBondContact O-CG 3.39Å; D665-K669 PolarHBondContact O-N 3.33Å
666	M	74	Confident	79.6	Confident	77 Å²	77	58.7 Å²	58.7	38%	0.379	35%	0.345	S	S	.	.	H	α-helix	trans	-77.1	-37	175.2	-69.7	-164.3	-112.2	0	0	112.2	L662 P663 S664 A668 K669	L662-M666 HydrophobicContact CD1-CB 4.12Å; L662-M666 HydrophobicContact CD1-CE 4.47Å; L662-M666 HydrophobicContact CD1-SD 4.04Å; L662-M666 HydrophobicContact CD2-CB 3.88Å; L662-M666 HydrophobicContact CG-CB 3.85Å; P663-M666 HydrophobicContact CB-CE 4.23Å; P663-M666 HydrophobicContact CG-CE 3.75Å; P663-M666 PolarHBondContact O-N 3.29Å; S664-M666 VanDerWaalsContact C-N 3.27Å; S664-M666 PolarHBondContact O-N 3Å; M666-A668 VanDerWaalsContact C-N 3.29Å; M666-A668 PolarHBondContact O-N 3.14Å; M666-K669 WeakPolarHBondContact O-CB 3.25Å; M666-K669 PolarHBondContact O-N 3.45Å
667	Q	74.4	Confident	79.1	Confident	42 Å²	42	60.7 Å²	60.7	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-62.3	-39	172.1	-64.8	-177.6	12.9	0	0	111.1	L662 P663 S664 K669 I670	L662-Q667 HydrophobicContact CB-CG 4.08Å; L662-Q667 HydrophobicContact CD2-CG 3.99Å; L662-Q667 HydrophobicContact CG-CG 4.25Å; L662-Q667 PolarHBondContact O-NE2 2.93Å; P663-Q667 PolarHBondContact O-N 3.44Å; S664-Q667 PolarHBondContact O-N 3.16Å; Q667-K669 PolarHBondContact O-N 3.15Å; Q667-I670 WeakPolarHBondContact O-CD1 3.46Å; Q667-I670 WeakPolarHBondContact O-CG1 3.39Å; Q667-I670 WeakPolarHBondContact O-CG2 3.42Å; Q667-I670 PolarHBondContact O-N 3.47Å
668	A	77	Confident	78.8	Confident	59 Å²	59	60 Å²	60	49%	0.488	37%	0.37	S	S	.	.	H	α-helix	trans	-62.2	-30.5	178.6	0	0	0	0	0	112.9	S664 M666 I670 F671	S664-A668 PolarHBondContact O-N 3.45Å; M666-A668 VanDerWaalsContact C-N 3.29Å; M666-A668 PolarHBondContact O-N 3.14Å; A668-I670 PolarHBondContact O-N 2.92Å; A668-F671 PolarHBondContact O-N 3.25Å
669	K	82.1	Confident	79	Confident	120 Å²	120	60.7 Å²	60.7	52%	0.522	37%	0.372	S	S	.	.	H	α-helix	trans	-61.1	-26.5	178.9	-70.8	177.1	-176.9	-175.8	0	113.1	L656 D665 M666 Q667 F671 S672	L656-K669 HydrophobicContact CD2-CB 4.46Å; D665-K669 WeakPolarHBondContact O-CG 3.39Å; D665-K669 PolarHBondContact O-N 3.33Å; M666-K669 WeakPolarHBondContact O-CB 3.25Å; M666-K669 PolarHBondContact O-N 3.45Å; Q667-K669 PolarHBondContact O-N 3.15Å; K669-F671 PolarHBondContact O-N 2.91Å; K669-S672 WeakPolarHBondContact O-CB 3.38Å; K669-S672 PolarHBondContact O-N 3.49Å; K669-S672 VanDerWaalsContact O-N 3.08Å; K669-S672 PolarHBondContact O-OG 2.93Å
670	I	85.3	Confident	79.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28	179.5	80.4	-165.7	0	0	0	112.4	L656 I658 Q667 A668 S672 K680 L692 I694	L656-I670 HydrophobicContact CB-CG2 4.43Å; I658-I670 HydrophobicContact CB-CG2 4.46Å; I658-I670 HydrophobicContact CD1-CD1 3.4Å; Q667-I670 WeakPolarHBondContact O-CD1 3.46Å; Q667-I670 WeakPolarHBondContact O-CG1 3.39Å; Q667-I670 WeakPolarHBondContact O-CG2 3.42Å; Q667-I670 PolarHBondContact O-N 3.47Å; A668-I670 PolarHBondContact O-N 2.92Å; I670-S672 VanDerWaalsContact C-N 3.31Å; I670-K680 PolarHBondContact O-NZ 2.96Å; I670-L692 HydrophobicContact CD1-CD1 4.49Å; I670-I694 HydrophobicContact CD1-CD1 4.15Å; I670-I694 HydrophobicContact CD1-CG1 4.27Å; I670-I694 HydrophobicContact CG1-CD1 4.37Å; I670-I694 HydrophobicContact CG1-CG1 4.33Å
671	F	83.6	Confident	80.4	Confident	109 Å²	109	56.5 Å²	56.5	48%	0.478	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.9	-179.8	-57.4	-71.4	0	0	0	112.6	A668 K669 L692 I694	A668-F671 PolarHBondContact O-N 3.25Å; K669-F671 PolarHBondContact O-N 2.91Å; F671-L692 HydrophobicContact CZ-CD2 4.16Å; F671-I694 HydrophobicContact CE1-CG1 4.49Å
672	S	83.1	Confident	81.6	Confident	55 Å²	55	53 Å²	53	39%	0.385	32%	0.321	S	S	.	.	S	Bend	trans	-65.3	140.2	174	67.3	0	0	0	0	110.4	K669 I670 K680	K669-S672 WeakPolarHBondContact O-CB 3.38Å; K669-S672 PolarHBondContact O-N 3.49Å; K669-S672 VanDerWaalsContact O-N 3.08Å; K669-S672 PolarHBondContact O-OG 2.93Å; I670-S672 VanDerWaalsContact C-N 3.31Å; S672-K680 PolarHBondContact O-NZ 3Å
673	P	84.6	Confident	82.8	Confident	89 Å²	89	52.6 Å²	52.6	58%	0.578	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-67.4	145.7	178.2	28.5	-34.1	0	0	0	110.3
674	T	86.7	Confident	83.9	Confident	40 Å²	40	50.6 Å²	50.6	25%	0.245	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-69.1	130.7	178.7	-53.3	0	0	0	0	110.1	D621 A678 K680	D621-T674 VanDerWaalsContact CG-OG1 3.25Å; D621-T674 PolarHBondContact OD1-OG1 3.22Å; D621-T674 PolarHBondContact OD2-OG1 2.97Å; T674-A678 HydrophobicContact CG2-CB 4.35Å; T674-A678 WeakPolarHBondContact CG2-O 3.31Å; T674-K680 HydrophobicContact CG2-CB 4.05Å; T674-K680 WeakPolarHBondContact OG1-CB 3.48Å
675	P	85.8	Confident	85.1	Confident	63 Å²	63	49.9 Å²	49.9	41%	0.409	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57.3	147.8	175.2	-24.4	33.5	0	0	0	112.3	G677 A678	P675-G677 PolarHBondContact O-N 3.38Å; P675-A678 HydrophobicContact CB-CB 4.1Å; P675-A678 HydrophobicContact CG-CB 4.46Å; P675-A678 PolarHBondContact O-N 3.49Å
676	P	81	Confident	85.8	Confident	135 Å²	135	46.9 Å²	46.9	88%	0.877	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	128	-179.7	26.4	-33.5	0	0	0	110.8	A678	P676-A678 VanDerWaalsContact C-N 3.3Å
677	G	81.1	Confident	86.2	Confident	69 Å²	69	45 Å²	45	71%	0.711	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-0.1	-176.9	0	0	0	0	0	114.9	A651 P675	A651-G677 WeakPolarHBondContact CB-O 3.41Å; P675-G677 PolarHBondContact O-N 3.38Å
678	A	86.8	Confident	86.6	Confident	20 Å²	20	43 Å²	43	17%	0.165	27%	0.267	C	S	.	.			trans	-105.3	164.2	171.4	0	0	0	0	0	111.1	E652 T674 P675 P676	E652-A678 HydrophobicContact CB-CB 3.98Å; E652-A678 HydrophobicContact CG-CB 4.5Å; E652-A678 CarbonylContact O-C 3.58Å; E652-A678 VanDerWaalsContact O-CA 3.25Å; E652-A678 WeakPolarHBondContact O-CA 3.26Å; E652-A678 WeakPolarHBondContact O-CB 3.37Å; T674-A678 HydrophobicContact CG2-CB 4.35Å; T674-A678 WeakPolarHBondContact CG2-O 3.31Å; P675-A678 HydrophobicContact CB-CB 4.1Å; P675-A678 HydrophobicContact CG-CB 4.46Å; P675-A678 PolarHBondContact O-N 3.49Å; P676-A678 VanDerWaalsContact C-N 3.3Å
679	R	91.3	Very high	86.8	Confident	17 Å²	17	41 Å²	41	6%	0.064	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.5	170.7	-173.1	171.7	-59.8	-169.5	7.9	110.2	I613 H614 Q617 P618 G620 I622 E652 L653 V654	I613-R679 VanDerWaalsContact C-NH1 3.34Å; I613-R679 PolarHBondContact O-NH1 2.77Å; H614-R679 WeakPolarHBondContact ND1-CB 3.35Å; Q617-R679 PolarHBondContact O-NH2 2.92Å; P618-R679 PolarHBondContact O-NH2 3.03Å; P618-R679 VanDerWaalsContact O-NH2 3.14Å; G620-R679 WeakPolarHBondContact O-CD 3Å; G620-R679 WeakPolarHBondContact O-CG 3.49Å; G620-R679 PolarHBondContact O-NE 3.21Å; I622-R679 HydrophobicContact CG1-CG 4.46Å; E652-R679 PolarHBondContact O-N 2.86Å; L653-R679 WeakPolarHBondContact CA-O 3.49Å; L653-R679 HydrophobicContact CD1-CB 4.1Å; L653-R679 HydrophobicContact CD1-CG 4.45Å; V654-R679 PolarHBondContact N-O 3.18Å
680	K	93.1	Very high	86.1	Confident	7 Å²	7	35.8 Å²	35.8	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.6	174.6	-179.1	177.7	56.4	179.7	0	110.1	D621 I622 V654 L656 I670 S672 T674 V682	D621-K680 WeakPolarHBondContact CA-O 3.46Å; D621-K680 HydrophobicContact CB-CB 4.34Å; D621-K680 WeakPolarHBondContact CB-O 3.23Å; D621-K680 WeakPolarHBondContact OD1-CB 3.41Å; D621-K680 PolarHBondContact OD1-N 2.9Å; D621-K680 WeakPolarHBondContact OD2-CE 3.37Å; D621-K680 IonicContact OD2-NZ 3.42Å; I622-K680 PolarHBondContact N-O 3.2Å; V654-K680 CarbonylContact O-C 3.5Å; V654-K680 WeakPolarHBondContact O-CA 3.21Å; L656-K680 HydrophobicContact CD1-CD 3.9Å; L656-K680 HydrophobicContact CD1-CG 4.17Å; I670-K680 PolarHBondContact O-NZ 2.96Å; S672-K680 PolarHBondContact O-NZ 3Å; T674-K680 HydrophobicContact CG2-CB 4.05Å; T674-K680 WeakPolarHBondContact OG1-CB 3.48Å; K680-V682 HydrophobicContact CD-CG2 4.23Å; K680-V682 HydrophobicContact CG-CG2 4.1Å
681	V	94.6	Very high	84.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.4	172.5	-176.8	0	0	0	0	107.9	V610 I622 V624 L639 L653 V654 V655 L656 V683	V610-V681 HydrophobicContact CG1-CG1 4.08Å; V610-V681 HydrophobicContact CG1-CG2 3.85Å; V610-V681 HydrophobicContact CG2-CG1 4.34Å; I622-V681 HydrophobicContact CB-CG1 4.35Å; I622-V681 HydrophobicContact CB-CG2 4.17Å; I622-V681 HydrophobicContact CD1-CG2 4.12Å; I622-V681 HydrophobicContact CG1-CG2 4.44Å; I622-V681 WeakPolarHBondContact O-CA 3.22Å; V624-V681 HydrophobicContact CG2-CG1 4.05Å; L639-V681 HydrophobicContact CD1-CG1 4.36Å; L653-V681 HydrophobicContact CD1-CG2 3.39Å; L653-V681 HydrophobicContact CD2-CG2 3.98Å; L653-V681 HydrophobicContact CG-CG2 3.77Å; V654-V681 PolarHBondContact O-N 3.32Å; V655-V681 WeakPolarHBondContact CA-O 3.25Å; L656-V681 PolarHBondContact N-O 3.48Å; V681-V683 HydrophobicContact CG1-CG2 4.13Å
682	V	94	Very high	84.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.7	174.3	-175.7	0	0	0	0	108.6	I622 L623 V624 L656 I658 K680 A684 I694	I622-V682 PolarHBondContact O-N 3.04Å; L623-V682 WeakPolarHBondContact CA-O 3.23Å; L623-V682 HydrophobicContact CD1-CB 4.03Å; L623-V682 HydrophobicContact CD1-CG1 4.07Å; V624-V682 PolarHBondContact N-O 2.94Å; L656-V682 WeakPolarHBondContact O-CA 3.36Å; I658-V682 HydrophobicContact CG2-CG1 3.67Å; K680-V682 HydrophobicContact CD-CG2 4.23Å; K680-V682 HydrophobicContact CG-CG2 4.1Å; V682-A684 HydrophobicContact CG1-CB 4.45Å; V682-I694 HydrophobicContact CB-CD1 4.37Å; V682-I694 HydrophobicContact CG1-CD1 3.87Å; V682-I694 HydrophobicContact CG2-CD1 4.3Å
683	V	94.6	Very high	83.7	Confident	0 Å²	0	34 Å²	34	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	109.7	177.2	-169.3	0	0	0	0	108.1	V624 L626 I632 L639 V655 L656 P657 I658 V681	V624-V683 HydrophobicContact CB-CG1 4.38Å; L626-V683 HydrophobicContact CD1-CG1 3.46Å; L626-V683 VanDerWaalsContact CD1-CG1 3.46Å; L626-V683 HydrophobicContact CG-CG1 4.08Å; I632-V683 HydrophobicContact CB-CG1 4.3Å; I632-V683 HydrophobicContact CG1-CG1 4.06Å; I632-V683 HydrophobicContact CG2-CB 4.15Å; I632-V683 HydrophobicContact CG2-CG1 3.98Å; L639-V683 HydrophobicContact CD1-CG2 4.29Å; V655-V683 HydrophobicContact CG1-CG2 4.31Å; L656-V683 PolarHBondContact O-N 3.2Å; P657-V683 CarbonylContact C-O 3.55Å; P657-V683 WeakPolarHBondContact CA-O 3.49Å; I658-V683 PolarHBondContact N-O 3.42Å; V681-V683 HydrophobicContact CG1-CG2 4.13Å
684	A	92.4	Very high	83.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.7	-163.3	0	0	0	0	0	113.4	L623 V624 F625 L626 I658 V682 A688	L623-A684 HydrophobicContact CD1-CB 3.78Å; V624-A684 PolarHBondContact O-N 3.44Å; F625-A684 CarbonylContact C-O 3.56Å; F625-A684 VanDerWaalsContact CA-O 3.32Å; F625-A684 WeakPolarHBondContact CA-O 3.41Å; L626-A684 PolarHBondContact N-O 2.94Å; I658-A684 VanDerWaalsContact CG2-CA 3.48Å; I658-A684 HydrophobicContact CG2-CB 3.26Å; I658-A684 WeakPolarHBondContact O-CA 3.48Å; V682-A684 HydrophobicContact CG1-CB 4.45Å; A684-A688 HydrophobicContact CB-CB 3.76Å
685	T	91	Very high	83.1	Confident	13 Å²	13	34.2 Å²	34.2	8%	0.08	22%	0.216	C	C	.	.			trans	-78.7	-173	160	67.2	0	0	0	0	111.5	L626 I632 I658 I687 A688	L626-T685 WeakPolarHBondContact O-CA 3.49Å; I632-T685 HydrophobicContact CD1-CG2 3.5Å; I632-T685 VanDerWaalsContact CD1-CG2 3.5Å; I658-T685 PolarHBondContact O-N 3.16Å; T685-I687 PolarHBondContact O-N 2.86Å; T685-I687 WeakPolarHBondContact OG1-CD1 3.43Å; T685-I687 WeakPolarHBondContact OG1-CG1 3.38Å; T685-I687 PolarHBondContact OG1-N 3.24Å; T685-A688 PolarHBondContact O-N 3.37Å
686	N	86.3	Confident	83.1	Confident	69 Å²	69	32.2 Å²	32.2	37%	0.369	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-56.5	-2.8	169.4	66.2	-26.7	0	0	0	114.8	A688 E689	N686-A688 PolarHBondContact O-N 2.91Å; N686-E689 HydrophobicContact CB-CB 4.48Å; N686-E689 WeakPolarHBondContact O-CB 3.38Å; N686-E689 PolarHBondContact O-N 3.32Å; N686-E689 VanDerWaalsContact O-N 3.12Å
687	I	81.9	Confident	83.5	Confident	38 Å²	38	26.1 Å²	26.1	20%	0.195	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-57.6	-38.2	170.9	-67.2	170.1	0	0	0	111.2	R465 I658 A660 T685 E689 L692	R465-I687 PolarHBondContact NH1-O 2.99Å; R465-I687 VanDerWaalsContact NH1-O 3.08Å; I658-I687 HydrophobicContact CD1-CG2 4.41Å; A660-I687 HydrophobicContact CB-CD1 4.05Å; T685-I687 PolarHBondContact O-N 2.86Å; T685-I687 WeakPolarHBondContact OG1-CD1 3.43Å; T685-I687 WeakPolarHBondContact OG1-CG1 3.38Å; T685-I687 PolarHBondContact OG1-N 3.24Å; I687-E689 VanDerWaalsContact C-N 3.28Å; I687-E689 PolarHBondContact O-N 2.82Å; I687-L692 HydrophobicContact CG2-CD1 3.59Å; I687-L692 HydrophobicContact CG2-CG 4.2Å
688	A	83	Confident	84	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.008	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-77.8	-8.7	179.5	0	0	0	0	0	114	L623 F625 A684 T685 N686 R736	L623-A688 HydrophobicContact CD1-CB 4.03Å; L623-A688 HydrophobicContact CD2-CB 4.04Å; F625-A688 HydrophobicContact CE1-CB 3.97Å; F625-A688 HydrophobicContact CZ-CB 4.33Å; A684-A688 HydrophobicContact CB-CB 3.76Å; T685-A688 PolarHBondContact O-N 3.37Å; N686-A688 PolarHBondContact O-N 2.91Å; A688-R736 WeakPolarHBondContact O-CD 3.4Å; A688-R736 PolarHBondContact O-NE 2.87Å; A688-R736 PolarHBondContact O-NH1 2.86Å
689	E	80.3	Confident	84.3	Confident	17 Å²	17	23.6 Å²	23.6	8%	0.079	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-39.6	-173.2	-174.6	173.5	143	0	0	113.7	F625 N686 I687 S729 Q732 R733 R736	F625-E689 HydrophobicContact CE1-CB 4.25Å; N686-E689 HydrophobicContact CB-CB 4.48Å; N686-E689 WeakPolarHBondContact O-CB 3.38Å; N686-E689 PolarHBondContact O-N 3.32Å; N686-E689 VanDerWaalsContact O-N 3.12Å; I687-E689 VanDerWaalsContact C-N 3.28Å; I687-E689 PolarHBondContact O-N 2.82Å; E689-S729 VanDerWaalsContact OE1-CA 3.23Å; E689-S729 WeakPolarHBondContact OE1-CA 3.25Å; E689-S729 WeakPolarHBondContact OE1-CB 3.37Å; E689-S729 PolarHBondContact OE1-OG 3.13Å; E689-Q732 HydrophobicContact CG-CB 4.06Å; E689-R733 HydrophobicContact CG-CG 4.01Å; E689-R733 IonicContact OE2-CZ 3.12Å; E689-R733 IonicContact OE2-NE 3.98Å; E689-R733 PolarHBondContact OE2-NE 3.22Å; E689-R733 IonicContact OE2-NH2 3.87Å; E689-R736 VanDerWaalsContact C-CZ 3.42Å; E689-R736 VanDerWaalsContact C-NH2 3.34Å; E689-R736 PolarHBondContact O-NE 3.48Å; E689-R736 PolarHBondContact O-NH2 3.22Å
690	T	66.8	Low	84.5	Confident	9 Å²	9	22.8 Å²	22.8	6%	0.055	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-61.7	-175.1	48.9	0	0	0	0	111	R465 H534 E535 R736	R465-T690 PolarHBondContact NH2-OG1 3.49Å; H534-T690 WeakPolarHBondContact NE2-CG2 3.36Å; E535-T690 WeakPolarHBondContact OE1-CB 3.43Å; E535-T690 PolarHBondContact OE1-OG1 2.94Å; T690-R736 VanDerWaalsContact C-NH2 3.35Å; T690-R736 VanDerWaalsContact O-CZ 3.31Å; T690-R736 PolarHBondContact O-NH1 3.04Å; T690-R736 PolarHBondContact O-NH2 2.93Å
691	S	61.7	Low	84.6	Confident	30 Å²	30	22.5 Å²	22.5	21%	0.21	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-8	-158.5	-38.4	0	0	0	0	117.4	R465 E535	R465-S691 WeakPolarHBondContact CD-OG 3.38Å; R465-S691 PolarHBondContact NE-OG 3.38Å; R465-S691 PolarHBondContact NH1-OG 2.92Å; E535-S691 PolarHBondContact OE1-OG 3.06Å
692	L	69	Low	84.6	Confident	27 Å²	27	22.5 Å²	22.5	14%	0.141	13%	0.129	C	C	.	.			trans	-119	133.6	176.1	-67.6	-178.2	0	0	0	111.6	I658 I670 F671 I687 R736	I658-L692 HydrophobicContact CD1-CD1 3.67Å; I670-L692 HydrophobicContact CD1-CD1 4.49Å; F671-L692 HydrophobicContact CZ-CD2 4.16Å; I687-L692 HydrophobicContact CG2-CD1 3.59Å; I687-L692 HydrophobicContact CG2-CG 4.2Å; L692-R736 PolarHBondContact O-NH1 3.08Å
693	T	72.7	Confident	84.6	Confident	71 Å²	71	22.7 Å²	22.7	44%	0.436	13%	0.13	S	C	.	.			trans	-106.8	110.4	172.3	59.2	0	0	0	0	108.2
694	I	80.7	Confident	84.5	Confident	11 Å²	11	22.8 Å²	22.8	6%	0.056	13%	0.131	C	C	.	.			trans	-100	120.6	172.6	-57.1	166.9	0	0	0	106.5	I670 F671 V682 I697	I670-I694 HydrophobicContact CD1-CD1 4.15Å; I670-I694 HydrophobicContact CD1-CG1 4.27Å; I670-I694 HydrophobicContact CG1-CD1 4.37Å; I670-I694 HydrophobicContact CG1-CG1 4.33Å; F671-I694 HydrophobicContact CE1-CG1 4.49Å; V682-I694 HydrophobicContact CB-CD1 4.37Å; V682-I694 HydrophobicContact CG1-CD1 3.87Å; V682-I694 HydrophobicContact CG2-CD1 4.3Å; I694-I697 HydrophobicContact CB-CD1 3.61Å; I694-I697 HydrophobicContact CB-CG1 4.23Å; I694-I697 HydrophobicContact CD1-CD1 4.32Å; I694-I697 HydrophobicContact CG1-CD1 4.46Å; I694-I697 HydrophobicContact CG2-CD1 4.07Å; I694-I697 HydrophobicContact CG2-CG1 4.21Å
695	D	78.1	Confident	84.5	Confident	122 Å²	122	25.9 Å²	25.9	65%	0.652	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	145.3	179.3	-62.6	-27.2	0	0	0	110.4
696	G	84	Confident	84.6	Confident	21 Å²	21	25.6 Å²	25.6	22%	0.216	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-5	177.2	0	0	0	0	0	115.8	D621 I698	D621-G696 WeakPolarHBondContact CB-O 3.36Å; D621-G696 PolarHBondContact N-O 3.36Å; G696-I698 PolarHBondContact O-N 2.92Å
697	I	89.8	Confident	84.7	Confident	7 Å²	7	26.1 Å²	26.1	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	122.6	177.3	-60.5	170.6	0	0	0	110.4	L623 I694 V700	L623-I697 HydrophobicContact CB-CD1 3.8Å; L623-I697 HydrophobicContact CB-CG1 4.28Å; L623-I697 HydrophobicContact CB-CG2 3.86Å; L623-I697 HydrophobicContact CD1-CD1 4.35Å; L623-I697 HydrophobicContact CD2-CD1 3.82Å; L623-I697 HydrophobicContact CG-CD1 4.2Å; I694-I697 HydrophobicContact CB-CD1 3.61Å; I694-I697 HydrophobicContact CB-CG1 4.23Å; I694-I697 HydrophobicContact CD1-CD1 4.32Å; I694-I697 HydrophobicContact CG1-CD1 4.46Å; I694-I697 HydrophobicContact CG2-CD1 4.07Å; I694-I697 HydrophobicContact CG2-CG1 4.21Å; I697-V700 HydrophobicContact CG2-CG2 4.07Å
698	I	91.9	Very high	84.8	Confident	31 Å²	31	26.2 Å²	26.2	16%	0.159	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-27	174.2	-61.7	-178.1	0	0	0	110.6	D621 G696 A737 A741 G743 K744	D621-I698 PolarHBondContact O-N 2.91Å; D621-I698 VanDerWaalsContact O-N 3.08Å; G696-I698 PolarHBondContact O-N 2.92Å; I698-A737 WeakPolarHBondContact O-CB 3.21Å; I698-A741 HydrophobicContact CD1-CB 4.4Å; I698-G743 CarbonylContact O-C 3.56Å; I698-G743 VanDerWaalsContact O-CA 3.23Å; I698-G743 WeakPolarHBondContact O-CA 3.33Å; I698-K744 PolarHBondContact O-N 2.83Å
699	Y	93.8	Very high	84.9	Confident	5 Å²	5	31.3 Å²	31.3	2%	0.02	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131	-178.8	-53.3	-73.9	0	0	0	110.8	I613 Q617 P618 D621 I622 L623 K744 F746	I613-Y699 HydrophobicContact CG2-CD1 3.93Å; I613-Y699 HydrophobicContact CG2-CD2 3.82Å; I613-Y699 HydrophobicContact CG2-CE1 4.39Å; I613-Y699 HydrophobicContact CG2-CE2 4.28Å; I613-Y699 HydrophobicContact CG2-CG 3.64Å; Q617-Y699 HydrophobicContact CB-CE1 3.77Å; Q617-Y699 HydrophobicContact CB-CE2 4.28Å; Q617-Y699 WeakPolarHBondContact CB-OH 3.41Å; Q617-Y699 HydrophobicContact CG-CE1 4.01Å; P618-Y699 VanDerWaalsContact CD-OH 3.25Å; P618-Y699 WeakPolarHBondContact CD-OH 3.39Å; P618-Y699 WeakPolarHBondContact CG-OH 3.48Å; P618-Y699 WeakPolarHBondContact O-CE2 3.42Å; P618-Y699 PolarHBondContact O-OH 3.39Å; D621-Y699 PolarHBondContact O-N 3.35Å; D621-Y699 VanDerWaalsContact O-N 3.17Å; I622-Y699 CarbonylContact C-O 3.53Å; I622-Y699 WeakPolarHBondContact CA-O 3.44Å; I622-Y699 HydrophobicContact CG1-CD2 4.22Å; L623-Y699 PolarHBondContact N-O 3.32Å; Y699-K744 WeakPolarHBondContact CA-O 3.47Å; Y699-K744 HydrophobicContact CD1-CB 4.08Å; Y699-K744 HydrophobicContact CE1-CB 4.42Å; Y699-K744 HydrophobicContact CE1-CD 4.22Å; Y699-K744 HydrophobicContact CE1-CG 4.42Å; Y699-F746 HydrophobicContact CD1-CE2 4.21Å
700	V	94.5	Very high	85.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.7	174.3	170.3	0	0	0	0	109.5	L623 F625 I697 R736 A737 K744 C745 F746	L623-V700 HydrophobicContact CB-CG2 4.33Å; L623-V700 CarbonylContact O-C 3.47Å; L623-V700 WeakPolarHBondContact O-CA 3.49Å; F625-V700 HydrophobicContact CD2-CG1 4.02Å; F625-V700 HydrophobicContact CE2-CG1 3.78Å; I697-V700 HydrophobicContact CG2-CG2 4.07Å; V700-R736 HydrophobicContact CG2-CB 4.08Å; V700-A737 HydrophobicContact CB-CB 4.41Å; V700-A737 HydrophobicContact CG2-CB 3.79Å; V700-K744 PolarHBondContact N-O 2.99Å; V700-C745 HydrophobicContact CB-CB 4.46Å; V700-C745 CarbonylContact O-C 3.57Å; V700-C745 WeakPolarHBondContact O-CA 3.39Å; V700-F746 PolarHBondContact O-N 3.44Å
701	I	95.1	Very high	86	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.5	169.8	-62.1	166.7	0	0	0	108.2	V610 I613 I622 L623 V624 F625 F746 L748	V610-I701 HydrophobicContact CB-CD1 4.25Å; V610-I701 HydrophobicContact CG2-CD1 3.41Å; V610-I701 VanDerWaalsContact CG2-CD1 3.41Å; I613-I701 HydrophobicContact CD1-CD1 3.88Å; I613-I701 HydrophobicContact CD1-CG1 3.95Å; I622-I701 HydrophobicContact CG2-CD1 4.01Å; I622-I701 HydrophobicContact CG2-CG1 4.43Å; L623-I701 PolarHBondContact O-N 3.36Å; V624-I701 HydrophobicContact CG1-CB 4.39Å; V624-I701 HydrophobicContact CG1-CG2 4.45Å; V624-I701 HydrophobicContact CG2-CB 4.36Å; V624-I701 HydrophobicContact CG2-CD1 4.13Å; F625-I701 PolarHBondContact N-O 3.33Å; I701-F746 WeakPolarHBondContact CA-O 3.42Å; I701-F746 HydrophobicContact CG1-CB 4.37Å; I701-L748 HydrophobicContact CG2-CD1 4.13Å; I701-L748 HydrophobicContact CG2-CG 4.28Å
702	D	95.1	Very high	87.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	106.6	-177.9	-179.2	28.8	0	0	0	110.9	G704 R733 F746 R747 L748 Y749	D702-G704 PolarHBondContact O-N 3.05Å; D702-G704 PolarHBondContact OD1-N 3.24Å; D702-R733 WeakPolarHBondContact OD1-CD 3.48Å; D702-R733 IonicContact OD1-CZ 2.82Å; D702-R733 IonicContact OD1-NE 3.75Å; D702-R733 IonicContact OD1-NH1 3.56Å; D702-R733 PolarHBondContact OD1-NH1 2.96Å; D702-F746 PolarHBondContact N-O 3.4Å; D702-R747 HydrophobicContact CB-CG 4.42Å; D702-R747 WeakPolarHBondContact O-CA 3.42Å; D702-L748 PolarHBondContact O-N 3.26Å; D702-Y749 WeakPolarHBondContact O-CE1 3.47Å; D702-Y749 PolarHBondContact OD2-OH 3.08Å
703	P	94	Very high	87.4	Confident	4 Å²	4	35.6 Å²	35.6	3%	0.026	19%	0.188	C	C	.	.			trans	-75.5	-9.7	172.9	30.7	-33.9	0	0	0	113.2	Y602 F625 L626 F705 L748	Y602-P703 HydrophobicContact CD2-CB 3.97Å; Y602-P703 HydrophobicContact CD2-CG 4.46Å; Y602-P703 HydrophobicContact CG-CB 4.14Å; F625-P703 WeakPolarHBondContact O-CD 3.41Å; F625-P703 WeakPolarHBondContact O-CG 3.19Å; L626-P703 HydrophobicContact CD2-CG 4.44Å; P703-F705 HydrophobicContact CB-CD2 4.38Å; P703-F705 WeakPolarHBondContact O-CD2 3.41Å; P703-L748 HydrophobicContact CB-CD1 4.25Å
704	G	92.7	Very high	87.7	Confident	2 Å²	2	41.8 Å²	41.8	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	83.1	16	175	0	0	0	0	0	115.3	D702 P724 C725 Y749	D702-G704 PolarHBondContact O-N 3.05Å; D702-G704 PolarHBondContact OD1-N 3.24Å; G704-P724 CarbonylContact O-C 3.43Å; G704-P724 WeakPolarHBondContact O-CA 3.4Å; G704-C725 VanDerWaalsContact C-SG 3.56Å; G704-C725 VanDerWaalsContact CA-SG 3.52Å; G704-C725 PolarHBondContact O-N 2.77Å; G704-C725 PolarHBondContact O-SG 3.15Å; G704-C725 VanDerWaalsContact O-SG 3.35Å; G704-Y749 VanDerWaalsContact CA-CE1 3.49Å
705	F	93.2	Very high	87.4	Confident	65 Å²	65	42.6 Å²	42.6	29%	0.285	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	156.9	178.1	-64	-76.2	0	0	0	112.9	Y602 T627 P703 V722 T723 P724 R733	Y602-F705 AromaticContact CD1-CD2 3.85Å; Y602-F705 HydrophobicContact CD1-CD2 3.85Å; Y602-F705 AromaticContact CD1-CE2 3.65Å; Y602-F705 HydrophobicContact CD1-CE2 3.65Å; Y602-F705 AromaticContact CE1-CD2 3.88Å; Y602-F705 HydrophobicContact CE1-CD2 3.88Å; Y602-F705 AromaticContact CE1-CE2 3.95Å; Y602-F705 HydrophobicContact CE1-CE2 3.95Å; Y602-F705 HydrophobicContact CG-CD2 4.27Å; Y602-F705 HydrophobicContact CG-CE2 4.29Å; T627-F705 HydrophobicContact CG2-CB 3.6Å; P703-F705 HydrophobicContact CB-CD2 4.38Å; P703-F705 WeakPolarHBondContact O-CD2 3.41Å; F705-V722 HydrophobicContact CB-CG1 4.09Å; F705-V722 HydrophobicContact CD1-CG1 4.15Å; F705-V722 HydrophobicContact CG-CG1 4.37Å; F705-T723 WeakPolarHBondContact CA-O 3.49Å; F705-P724 HydrophobicContact CE1-CG 4.36Å; F705-R733 PolarHBondContact O-NH1 2.78Å; F705-R733 VanDerWaalsContact O-NH1 3.08Å; F705-R733 PolarHBondContact O-NH2 3.01Å
706	C	91.4	Very high	87.2	Confident	8 Å²	8	38.4 Å²	38.4	5%	0.054	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	152.4	170.4	62.6	0	0	0	0	111	Q708 T723	C706-Q708 PolarHBondContact SG-NE2 3.16Å; C706-T723 PolarHBondContact N-O 3.34Å; C706-T723 PolarHBondContact O-N 3.11Å; C706-T723 VanDerWaalsContact O-O 3.07Å; C706-T723 PolarHBondContact O-OG1 3.07Å
707	K	88.6	Confident	86.9	Confident	80 Å²	80	38 Å²	38	35%	0.348	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.4	168.1	-78.9	-178.3	-171.8	-175.5	0	109.4	T627 I721 V722	T627-K707 WeakPolarHBondContact O-CD 3.2Å; T627-K707 WeakPolarHBondContact O-CG 3.38Å; T627-K707 WeakPolarHBondContact OG1-CE 3.33Å; K707-I721 WeakPolarHBondContact CA-O 3.44Å; K707-V722 HydrophobicContact CD-CG2 4.35Å; K707-V722 HydrophobicContact CG-CG2 3.73Å
708	Q	85.6	Confident	86.4	Confident	40 Å²	40	41.7 Å²	41.7	19%	0.187	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.4	177.3	-65.4	-176.7	-5.2	0	0	110	C706 I721 T723 R768	C706-Q708 PolarHBondContact SG-NE2 3.16Å; Q708-I721 PolarHBondContact N-O 3.28Å; Q708-I721 PolarHBondContact O-N 2.87Å; Q708-T723 VanDerWaalsContact CD-OG1 3.26Å; Q708-T723 WeakPolarHBondContact CG-OG1 3.36Å; Q708-T723 PolarHBondContact OE1-OG1 2.89Å; Q708-R768 VanDerWaalsContact CD-NH1 3.33Å
709	K	83.7	Confident	85.8	Confident	107 Å²	107	41.1 Å²	41.1	47%	0.465	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.1	170.6	-69.7	-175.2	178.1	-173.5	0	109	S719 L720	K709-S719 CarbonylContact C-O 3.4Å; K709-S719 WeakPolarHBondContact CA-O 3.36Å; K709-L720 HydrophobicContact CB-CD2 4.49Å; K709-L720 HydrophobicContact CG-CD2 3.58Å; K709-L720 HydrophobicContact CG-CG 4.36Å
710	S	86.2	Confident	85.3	Confident	42 Å²	42	46.1 Å²	46.1	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.4	173.6	178.5	0	0	0	0	108.5	S719	S710-S719 PolarHBondContact N-O 3.12Å; S710-S719 PolarHBondContact O-N 2.9Å; S710-S719 PolarHBondContact O-OG 3.27Å
711	Y	84.9	Confident	84.9	Confident	35 Å²	35	49.3 Å²	49.3	14%	0.137	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.7	176.9	179	-110	0	0	0	110	A713 E718 R768 N770 T799	Y711-A713 HydrophobicContact CD1-CB 4.46Å; Y711-A713 HydrophobicContact CE1-CB 3.97Å; Y711-E718 HydrophobicContact CD2-CG 3.63Å; Y711-E718 HydrophobicContact CE2-CG 4.33Å; Y711-R768 WeakPolarHBondContact CB-O 3.24Å; Y711-R768 PolarHBondContact N-O 3.25Å; Y711-N770 HydrophobicContact CD2-CB 4.26Å; Y711-N770 HydrophobicContact CE2-CB 3.92Å; Y711-T799 HydrophobicContact CD1-CG2 4.21Å; Y711-T799 HydrophobicContact CE1-CG2 3.92Å
712	N	83.5	Confident	84.7	Confident	81 Å²	81	52.4 Å²	52.4	43%	0.433	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.4	172.1	-174.6	-22.4	0	0	0	109.3	R714 T715 G716 M717	N712-R714 VanDerWaalsContact C-N 3.3Å; N712-R714 PolarHBondContact O-N 3.39Å; N712-R714 PolarHBondContact OD1-N 3.5Å; N712-R714 VanDerWaalsContact OD1-N 3.14Å; N712-T715 WeakPolarHBondContact CB-OG1 3.38Å; N712-T715 PolarHBondContact O-N 2.87Å; N712-T715 PolarHBondContact O-OG1 3.03Å; N712-G716 WeakPolarHBondContact O-CA 3.36Å; N712-G716 PolarHBondContact O-N 3.38Å; N712-M717 PolarHBondContact N-O 3.31Å; N712-M717 PolarHBondContact O-N 3.28Å
713	A	76.4	Confident	84.4	Confident	16 Å²	16	53.7 Å²	53.7	13%	0.132	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-38.1	-177	0	0	0	0	0	112.7	Y711 T715 G716 L802	Y711-A713 HydrophobicContact CD1-CB 4.46Å; Y711-A713 HydrophobicContact CE1-CB 3.97Å; A713-T715 PolarHBondContact O-N 3.44Å; A713-G716 PolarHBondContact O-N 3.46Å; A713-L802 HydrophobicContact CB-CD1 3.79Å; A713-L802 WeakPolarHBondContact O-CD1 3.49Å
714	R	77.6	Confident	84.4	Confident	201 Å²	201	57.3 Å²	57.3	76%	0.758	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-35	-178.7	177.8	177.7	-85.3	-175.2	-3.9	112.8	N712	N712-R714 VanDerWaalsContact C-N 3.3Å; N712-R714 PolarHBondContact O-N 3.39Å; N712-R714 PolarHBondContact OD1-N 3.5Å; N712-R714 VanDerWaalsContact OD1-N 3.14Å
715	T	75.8	Confident	84.3	Confident	28 Å²	28	57.3 Å²	57.3	17%	0.172	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-12.4	-179.9	66.9	0	0	0	0	112.7	N712 A713 M717 Q977	N712-T715 WeakPolarHBondContact CB-OG1 3.38Å; N712-T715 PolarHBondContact O-N 2.87Å; N712-T715 PolarHBondContact O-OG1 3.03Å; A713-T715 PolarHBondContact O-N 3.44Å; T715-M717 PolarHBondContact O-N 2.73Å; T715-M717 WeakPolarHBondContact OG1-CB 3.46Å; T715-M717 PolarHBondContact OG1-N 2.61Å; T715-Q977 VanDerWaalsContact CG2-NE2 3.25Å
716	G	73.8	Confident	84.3	Confident	33 Å²	33	54.4 Å²	54.4	34%	0.34	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	16	-173.5	0	0	0	0	0	113.4	N712 A713	N712-G716 WeakPolarHBondContact O-CA 3.36Å; N712-G716 PolarHBondContact O-N 3.38Å; A713-G716 PolarHBondContact O-N 3.46Å
717	M	76.6	Confident	84.2	Confident	12 Å²	12	57.3 Å²	57.3	6%	0.059	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	133.7	-173.4	-66.7	177.3	176.4	0	0	111.9	N712 T715 V979 L1000 E1006	N712-M717 PolarHBondContact N-O 3.31Å; N712-M717 PolarHBondContact O-N 3.28Å; T715-M717 PolarHBondContact O-N 2.73Å; T715-M717 WeakPolarHBondContact OG1-CB 3.46Å; T715-M717 PolarHBondContact OG1-N 2.61Å; M717-V979 HydrophobicContact CE-CG1 4.35Å; M717-L1000 HydrophobicContact CE-CD1 3.89Å; M717-L1000 HydrophobicContact CE-CD2 4.43Å; M717-L1000 HydrophobicContact CG-CB 4.17Å; M717-L1000 HydrophobicContact CG-CD1 4.22Å; M717-E1006 HydrophobicContact CE-CB 4.37Å; M717-E1006 VanDerWaalsContact CE-CD 3.5Å; M717-E1006 HydrophobicContact CE-CG 3.97Å; M717-E1006 WeakPolarHBondContact CE-OE2 3.32Å; M717-E1006 HydrophobicContact SD-CG 4.12Å
718	E	79.9	Confident	84	Confident	85 Å²	85	54.8 Å²	54.8	40%	0.397	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.2	165.2	-68.8	-173.2	-179.2	0	0	109.6	Y711	Y711-E718 HydrophobicContact CD2-CG 3.63Å; Y711-E718 HydrophobicContact CE2-CG 4.33Å
719	S	80.5	Confident	84.1	Confident	20 Å²	20	53.4 Å²	53.4	14%	0.14	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.2	179	62.5	0	0	0	0	110.4	K709 S710	K709-S719 CarbonylContact C-O 3.4Å; K709-S719 WeakPolarHBondContact CA-O 3.36Å; S710-S719 PolarHBondContact N-O 3.12Å; S710-S719 PolarHBondContact O-N 2.9Å; S710-S719 PolarHBondContact O-OG 3.27Å
720	L	82.3	Confident	84.4	Confident	109 Å²	109	48.3 Å²	48.3	57%	0.571	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	98.9	171.6	-80.9	163.3	0	0	0	107.8	K709	K709-L720 HydrophobicContact CB-CD2 4.49Å; K709-L720 HydrophobicContact CG-CD2 3.58Å; K709-L720 HydrophobicContact CG-CG 4.36Å
721	I	86.7	Confident	84.5	Confident	67 Å²	67	49 Å²	49	34%	0.344	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.7	-178.8	53.8	167	0	0	0	110.3	K707 Q708 T723	K707-I721 WeakPolarHBondContact CA-O 3.44Å; Q708-I721 PolarHBondContact N-O 3.28Å; Q708-I721 PolarHBondContact O-N 2.87Å; I721-T723 HydrophobicContact CD1-CG2 3.69Å; I721-T723 HydrophobicContact CG1-CG2 3.85Å
722	V	89.7	Confident	84.5	Confident	66 Å²	66	48.7 Å²	48.7	40%	0.4	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.4	169.2	179.4	0	0	0	0	107.5	T627 F705 K707	T627-V722 HydrophobicContact CG2-CG1 3.95Å; F705-V722 HydrophobicContact CB-CG1 4.09Å; F705-V722 HydrophobicContact CD1-CG1 4.15Å; F705-V722 HydrophobicContact CG-CG1 4.37Å; K707-V722 HydrophobicContact CD-CG2 4.35Å; K707-V722 HydrophobicContact CG-CG2 3.73Å
723	T	90.5	Very high	84.8	Confident	26 Å²	26	44.9 Å²	44.9	16%	0.16	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.1	-177	49.9	0	0	0	0	109.8	F705 C706 Q708 I721	F705-T723 WeakPolarHBondContact CA-O 3.49Å; C706-T723 PolarHBondContact N-O 3.34Å; C706-T723 PolarHBondContact O-N 3.11Å; C706-T723 VanDerWaalsContact O-O 3.07Å; C706-T723 PolarHBondContact O-OG1 3.07Å; Q708-T723 VanDerWaalsContact CD-OG1 3.26Å; Q708-T723 WeakPolarHBondContact CG-OG1 3.36Å; Q708-T723 PolarHBondContact OE1-OG1 2.89Å; I721-T723 HydrophobicContact CD1-CG2 3.69Å; I721-T723 HydrophobicContact CG1-CG2 3.85Å
724	P	92.4	Very high	85.4	Confident	80 Å²	80	44.1 Å²	44.1	52%	0.519	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	143	169	-22.3	33.5	0	0	0	111	G704 F705	G704-P724 CarbonylContact O-C 3.43Å; G704-P724 WeakPolarHBondContact O-CA 3.4Å; F705-P724 HydrophobicContact CE1-CG 4.36Å
725	C	92.1	Very high	85.6	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.014	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-75.3	155.8	175.5	68.2	0	0	0	0	111.3	G704	G704-C725 VanDerWaalsContact C-SG 3.56Å; G704-C725 VanDerWaalsContact CA-SG 3.52Å; G704-C725 PolarHBondContact O-N 2.77Å; G704-C725 PolarHBondContact O-SG 3.15Å; G704-C725 VanDerWaalsContact O-SG 3.35Å
726	S	91.4	Very high	86.1	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.028	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-71.5	160.5	172.2	72.9	0	0	0	0	111.9	A728 S729 A730 E759 T762	S726-A728 VanDerWaalsContact C-N 3.26Å; S726-A728 PolarHBondContact O-N 3Å; S726-S729 WeakPolarHBondContact O-CB 3.34Å; S726-S729 PolarHBondContact O-N 3.46Å; S726-S729 WeakPolarHBondContact OG-CB 3.39Å; S726-S729 PolarHBondContact OG-N 3.21Å; S726-S729 PolarHBondContact OG-OG 2.92Å; S726-A730 PolarHBondContact O-N 2.82Å; S726-E759 CarbonylContact C-O 3.51Å; S726-E759 WeakPolarHBondContact CA-O 3.29Å; S726-T762 WeakPolarHBondContact OG-CG2 3.35Å
727	R	89.8	Confident	86.6	Confident	70 Å²	70	32.6 Å²	32.6	26%	0.264	18%	0.18	S	C	.	.	H	α-helix	trans	-59.1	-39	172.3	-65.1	-173.8	-68.6	161.6	0.8	111.3	A730 N731 F754 M758 E759 E760	R727-A730 PolarHBondContact O-N 3.1Å; R727-N731 WeakPolarHBondContact O-CB 3.41Å; R727-N731 PolarHBondContact O-N 3.44Å; R727-N731 PolarHBondContact O-ND2 2.79Å; R727-F754 HydrophobicContact CB-CE2 3.99Å; R727-F754 HydrophobicContact CB-CZ 4.19Å; R727-F754 WeakPolarHBondContact CD-O 3.38Å; R727-F754 HydrophobicContact CG-CD2 4.3Å; R727-F754 HydrophobicContact CG-CE2 3.95Å; R727-F754 HydrophobicContact CG-CZ 4.26Å; R727-F754 WeakPolarHBondContact CG-O 3.26Å; R727-M758 HydrophobicContact CG-CB 3.83Å; R727-E759 WeakPolarHBondContact CG-O 3.34Å; R727-E759 PolarHBondContact N-O 2.96Å; R727-E760 VanDerWaalsContact NH2-CB 3.27Å; R727-E760 VanDerWaalsContact NH2-CD 3.25Å; R727-E760 VanDerWaalsContact NH2-CG 3.28Å; R727-E760 IonicContact NH2-OE2 2.85Å; R727-E760 PolarHBondContact NH2-OE2 3.32Å
728	A	85.6	Confident	86.6	Confident	26 Å²	26	32.1 Å²	32.1	22%	0.215	18%	0.179	C	C	.	.	H	α-helix	trans	-58.8	-49.9	174	0	0	0	0	0	111.7	S726 N731 Q732 E760	S726-A728 VanDerWaalsContact C-N 3.26Å; S726-A728 PolarHBondContact O-N 3Å; A728-N731 PolarHBondContact O-N 3.4Å; A728-Q732 WeakPolarHBondContact O-CG 3.39Å; A728-Q732 PolarHBondContact O-N 2.94Å; A728-E760 WeakPolarHBondContact CB-O 3.24Å; A728-E760 PolarHBondContact N-O 3.19Å
729	S	87.6	Confident	86.4	Confident	12 Å²	12	30.5 Å²	30.5	8%	0.084	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-48	176.6	-72.3	0	0	0	0	112.4	E689 S726 N731 Q732 R733	E689-S729 VanDerWaalsContact OE1-CA 3.23Å; E689-S729 WeakPolarHBondContact OE1-CA 3.25Å; E689-S729 WeakPolarHBondContact OE1-CB 3.37Å; E689-S729 PolarHBondContact OE1-OG 3.13Å; S726-S729 WeakPolarHBondContact O-CB 3.34Å; S726-S729 PolarHBondContact O-N 3.46Å; S726-S729 WeakPolarHBondContact OG-CB 3.39Å; S726-S729 PolarHBondContact OG-N 3.21Å; S726-S729 PolarHBondContact OG-OG 2.92Å; S729-N731 PolarHBondContact O-N 3.27Å; S729-Q732 WeakPolarHBondContact O-CB 3.43Å; S729-Q732 PolarHBondContact O-N 2.91Å; S729-Q732 VanDerWaalsContact O-N 3.07Å; S729-R733 WeakPolarHBondContact O-CG 3.45Å; S729-R733 PolarHBondContact O-N 3.11Å
730	A	90.1	Very high	86	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-34	176.9	0	0	0	0	0	112.6	S726 R727 A734 R747 Y749 F754	S726-A730 PolarHBondContact O-N 2.82Å; R727-A730 PolarHBondContact O-N 3.1Å; A730-A734 WeakPolarHBondContact O-CB 3.43Å; A730-A734 PolarHBondContact O-N 2.78Å; A730-A734 VanDerWaalsContact O-N 3.1Å; A730-R747 VanDerWaalsContact C-NH2 3.29Å; A730-R747 PolarHBondContact O-NH2 2.83Å; A730-Y749 WeakPolarHBondContact CB-OH 3.13Å; A730-F754 HydrophobicContact CB-CD2 4.47Å; A730-F754 HydrophobicContact CB-CE2 4.01Å
731	N	87	Confident	85.9	Confident	56 Å²	56	29.6 Å²	29.6	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-74.2	-34.9	175.9	-70.2	-20.5	0	0	0	112.4	M379 R727 A728 S729 G735 R747	M379-N731 HydrophobicContact CE-CB 4.25Å; R727-N731 WeakPolarHBondContact O-CB 3.41Å; R727-N731 PolarHBondContact O-N 3.44Å; R727-N731 PolarHBondContact O-ND2 2.79Å; A728-N731 PolarHBondContact O-N 3.4Å; S729-N731 PolarHBondContact O-N 3.27Å; N731-G735 PolarHBondContact O-N 2.84Å; N731-R747 PolarHBondContact OD1-NH2 3.48Å
732	Q	85.1	Confident	85.8	Confident	28 Å²	28	29.2 Å²	29.2	13%	0.131	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-41.3	173.1	-69.6	-172.8	-1.3	0	0	112.3	H534 T565 E689 A728 S729 G735 R736	H534-Q732 PolarHBondContact CD2-NE2 3.17Å; H534-Q732 PolarHBondContact NE2-NE2 2.95Å; H534-Q732 VanDerWaalsContact NE2-NE2 3.19Å; T565-Q732 VanDerWaalsContact CG2-NE2 3.33Å; E689-Q732 HydrophobicContact CG-CB 4.06Å; A728-Q732 WeakPolarHBondContact O-CG 3.39Å; A728-Q732 PolarHBondContact O-N 2.94Å; S729-Q732 WeakPolarHBondContact O-CB 3.43Å; S729-Q732 PolarHBondContact O-N 2.91Å; S729-Q732 VanDerWaalsContact O-N 3.07Å; Q732-G735 PolarHBondContact O-N 2.88Å; Q732-R736 PolarHBondContact O-N 2.76Å
733	R	89.8	Confident	85.8	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-57.7	-50.3	173	-68.8	-179.6	-175.9	-168.5	-1.4	110.9	F625 E689 D702 F705 S729 G735 R736	F625-R733 HydrophobicContact CD1-CG 4.21Å; F625-R733 HydrophobicContact CD2-CB 3.98Å; F625-R733 HydrophobicContact CD2-CG 3.87Å; F625-R733 HydrophobicContact CE1-CG 3.95Å; F625-R733 HydrophobicContact CE2-CB 3.54Å; F625-R733 HydrophobicContact CE2-CG 3.6Å; F625-R733 HydrophobicContact CG-CG 4.17Å; F625-R733 HydrophobicContact CZ-CB 3.97Å; F625-R733 HydrophobicContact CZ-CG 3.64Å; E689-R733 HydrophobicContact CG-CG 4.01Å; E689-R733 IonicContact OE2-CZ 3.12Å; E689-R733 IonicContact OE2-NE 3.98Å; E689-R733 PolarHBondContact OE2-NE 3.22Å; E689-R733 IonicContact OE2-NH2 3.87Å; D702-R733 WeakPolarHBondContact OD1-CD 3.48Å; D702-R733 IonicContact OD1-CZ 2.82Å; D702-R733 IonicContact OD1-NE 3.75Å; D702-R733 IonicContact OD1-NH1 3.56Å; D702-R733 PolarHBondContact OD1-NH1 2.96Å; F705-R733 PolarHBondContact O-NH1 2.78Å; F705-R733 VanDerWaalsContact O-NH1 3.08Å; F705-R733 PolarHBondContact O-NH2 3.01Å; S729-R733 WeakPolarHBondContact O-CG 3.45Å; S729-R733 PolarHBondContact O-N 3.11Å; R733-G735 VanDerWaalsContact C-N 3.28Å; R733-G735 PolarHBondContact O-N 3.29Å; R733-R736 WeakPolarHBondContact O-CB 3.36Å; R733-R736 PolarHBondContact O-N 3.17Å; R733-R736 VanDerWaalsContact O-N 3.1Å
734	A	88.3	Confident	85.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-38.5	175.6	0	0	0	0	0	112.5	M379 A730 R736 A737 C745	M379-A734 HydrophobicContact CE-CB 3.57Å; M379-A734 HydrophobicContact SD-CB 4.45Å; A730-A734 WeakPolarHBondContact O-CB 3.43Å; A730-A734 PolarHBondContact O-N 2.78Å; A730-A734 VanDerWaalsContact O-N 3.1Å; A734-R736 PolarHBondContact O-N 3.35Å; A734-R736 VanDerWaalsContact O-N 3.14Å; A734-A737 WeakPolarHBondContact O-CB 3.44Å; A734-A737 PolarHBondContact O-N 2.79Å; A734-C745 HydrophobicContact CB-CB 3.92Å
735	G	83.5	Confident	85.9	Confident	13 Å²	13	23.8 Å²	23.8	13%	0.134	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-19.9	176.6	0	0	0	0	0	114.7	N731 Q732 R733 A737 G738	N731-G735 PolarHBondContact O-N 2.84Å; Q732-G735 PolarHBondContact O-N 2.88Å; R733-G735 VanDerWaalsContact C-N 3.28Å; R733-G735 PolarHBondContact O-N 3.29Å; G735-A737 VanDerWaalsContact C-N 3.25Å; G735-A737 PolarHBondContact O-N 3.14Å; G735-G738 PolarHBondContact O-N 3.32Å
736	R	84.9	Confident	85.9	Confident	6 Å²	6	24.4 Å²	24.4	2%	0.023	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65.9	-27.2	176.9	-61	-69.8	149.3	168.3	-15.9	112.9	T435 L623 F625 A688 E689 T690 L692 V700 Q732 R733 A734 R739	T435-R736 PolarHBondContact OG1-NH2 2.91Å; L623-R736 HydrophobicContact CD2-CB 4.07Å; L623-R736 HydrophobicContact CD2-CG 4.23Å; F625-R736 HydrophobicContact CZ-CG 4.46Å; A688-R736 WeakPolarHBondContact O-CD 3.4Å; A688-R736 PolarHBondContact O-NE 2.87Å; A688-R736 PolarHBondContact O-NH1 2.86Å; E689-R736 VanDerWaalsContact C-CZ 3.42Å; E689-R736 VanDerWaalsContact C-NH2 3.34Å; E689-R736 PolarHBondContact O-NE 3.48Å; E689-R736 PolarHBondContact O-NH2 3.22Å; T690-R736 VanDerWaalsContact C-NH2 3.35Å; T690-R736 VanDerWaalsContact O-CZ 3.31Å; T690-R736 PolarHBondContact O-NH1 3.04Å; T690-R736 PolarHBondContact O-NH2 2.93Å; L692-R736 PolarHBondContact O-NH1 3.08Å; V700-R736 HydrophobicContact CG2-CB 4.08Å; Q732-R736 PolarHBondContact O-N 2.76Å; R733-R736 WeakPolarHBondContact O-CB 3.36Å; R733-R736 PolarHBondContact O-N 3.17Å; R733-R736 VanDerWaalsContact O-N 3.1Å; A734-R736 PolarHBondContact O-N 3.35Å; A734-R736 VanDerWaalsContact O-N 3.14Å; R736-R739 VanDerWaalsContact NH1-CZ 3.31Å; R736-R739 VanDerWaalsContact NH2-NH2 3.16Å
737	A	85.6	Confident	86.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-73	-26.1	177.8	0	0	0	0	0	113.6	V590 I698 V700 A734 G735	V590-A737 HydrophobicContact CG1-CB 4.04Å; V590-A737 HydrophobicContact CG2-CB 4.2Å; I698-A737 WeakPolarHBondContact O-CB 3.21Å; V700-A737 HydrophobicContact CB-CB 4.41Å; V700-A737 HydrophobicContact CG2-CB 3.79Å; A734-A737 WeakPolarHBondContact O-CB 3.44Å; A734-A737 PolarHBondContact O-N 2.79Å; G735-A737 VanDerWaalsContact C-N 3.25Å; G735-A737 PolarHBondContact O-N 3.14Å
738	G	76.8	Confident	86.2	Confident	3 Å²	3	21.2 Å²	21.2	3%	0.031	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-95.4	16.6	-169.3	0	0	0	0	0	115.8	V590 G735	V590-G738 VanDerWaalsContact CG2-CA 3.41Å; G735-G738 PolarHBondContact O-N 3.32Å
739	R	75.1	Confident	86.5	Confident	50 Å²	50	20.7 Å²	20.7	19%	0.189	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-40.4	-171.4	-73.2	-179	164.9	179.2	-8.9	114.3	T435 R736	T435-R739 PolarHBondContact OG1-NH2 3.25Å; R736-R739 VanDerWaalsContact NH1-CZ 3.31Å; R736-R739 VanDerWaalsContact NH2-NH2 3.16Å
740	V	72.8	Confident	86.7	Confident	78 Å²	78	21.2 Å²	21.2	47%	0.473	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-42.1	-174.6	-179.3	0	0	0	0	111.3	F588	F588-V740 WeakPolarHBondContact CD2-O 3.48Å; F588-V740 WeakPolarHBondContact CE2-O 3.48Å
741	A	79.3	Confident	86.7	Confident	32 Å²	32	22.4 Å²	22.4	26%	0.264	13%	0.134	S	C	.	.	S	Bend	trans	-149.5	179.1	-178.5	0	0	0	0	0	109.8	F588 I698 G743	F588-A741 VanDerWaalsContact CB-C 3.46Å; F588-A741 WeakPolarHBondContact CB-O 3.44Å; I698-A741 HydrophobicContact CD1-CB 4.4Å; A741-G743 PolarHBondContact O-N 2.8Å
742	A	85.6	Confident	86.9	Confident	60 Å²	60	27 Å²	27	50%	0.496	15%	0.147	S	C	.	.	S	Bend	trans	-59.5	126.8	170.1	0	0	0	0	0	109.7	P589	P589-A742 HydrophobicContact CG-CB 4.31Å; P589-A742 WeakPolarHBondContact O-CA 3.32Å
743	G	88.1	Confident	87.2	Confident	2 Å²	2	25.9 Å²	25.9	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	169	-169.9	0	0	0	0	0	113.6	P589 V590 D591 I698 A741	P589-G743 PolarHBondContact O-N 3.05Å; P589-G743 VanDerWaalsContact O-N 3.08Å; V590-G743 VanDerWaalsContact CA-O 3.3Å; V590-G743 WeakPolarHBondContact CA-O 3.47Å; D591-G743 PolarHBondContact N-O 3.02Å; I698-G743 CarbonylContact O-C 3.56Å; I698-G743 VanDerWaalsContact O-CA 3.23Å; I698-G743 WeakPolarHBondContact O-CA 3.33Å; A741-G743 PolarHBondContact O-N 2.8Å
744	K	91.6	Very high	87.2	Confident	56 Å²	56	27 Å²	27	24%	0.243	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.6	173.9	-58.3	-175.6	-179.2	176.9	0	110.8	D591 F593 I698 Y699 V700 F746	D591-K744 HydrophobicContact CB-CG 4.33Å; D591-K744 CarbonylContact O-C 3.53Å; D591-K744 WeakPolarHBondContact O-CA 3.33Å; F593-K744 HydrophobicContact CD2-CB 4.41Å; F593-K744 HydrophobicContact CE2-CB 3.98Å; F593-K744 HydrophobicContact CE2-CD 3.87Å; F593-K744 HydrophobicContact CE2-CG 4.01Å; F593-K744 HydrophobicContact CZ-CD 4.35Å; I698-K744 PolarHBondContact O-N 2.83Å; Y699-K744 WeakPolarHBondContact CA-O 3.47Å; Y699-K744 HydrophobicContact CD1-CB 4.08Å; Y699-K744 HydrophobicContact CE1-CB 4.42Å; Y699-K744 HydrophobicContact CE1-CD 4.22Å; Y699-K744 HydrophobicContact CE1-CG 4.42Å; V700-K744 PolarHBondContact N-O 2.99Å; K744-F746 HydrophobicContact CB-CE2 3.87Å; K744-F746 HydrophobicContact CB-CZ 4.22Å; K744-F746 HydrophobicContact CD-CZ 4.38Å
745	C	93.2	Very high	87.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.5	175.8	-178.3	0	0	0	0	110	V590 D591 I592 F593 V700 A734	V590-C745 HydrophobicContact CG1-CB 4Å; D591-C745 PolarHBondContact O-N 3.14Å; I592-C745 WeakPolarHBondContact CA-O 3.35Å; F593-C745 PolarHBondContact N-O 2.9Å; V700-C745 HydrophobicContact CB-CB 4.46Å; V700-C745 CarbonylContact O-C 3.57Å; V700-C745 WeakPolarHBondContact O-CA 3.39Å; A734-C745 HydrophobicContact CB-CB 3.92Å
746	F	93.6	Very high	87.6	Confident	14 Å²	14	38.1 Å²	38.1	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.9	178.3	-60.7	-90.5	0	0	0	109.2	F372 F593 I613 Y699 V700 I701 D702 K744	F372-F746 HydrophobicContact CD1-CD1 4.15Å; F372-F746 HydrophobicContact CD2-CD1 4.05Å; F372-F746 HydrophobicContact CD2-CE1 4.41Å; F372-F746 HydrophobicContact CE1-CB 4.13Å; F372-F746 HydrophobicContact CE1-CD1 4.12Å; F372-F746 HydrophobicContact CE2-CD1 4.02Å; F372-F746 HydrophobicContact CG-CD1 4.12Å; F372-F746 HydrophobicContact CZ-CB 4.27Å; F372-F746 HydrophobicContact CZ-CD1 4.06Å; F593-F746 HydrophobicContact CB-CD1 3.81Å; F593-F746 HydrophobicContact CB-CE1 4.24Å; F593-F746 HydrophobicContact CD2-CD1 4.04Å; F593-F746 AromaticContact CD2-CE1 3.79Å; F593-F746 HydrophobicContact CD2-CE1 3.79Å; F593-F746 HydrophobicContact CD2-CZ 4.17Å; F593-F746 HydrophobicContact CE2-CE1 4.37Å; F593-F746 HydrophobicContact CE2-CZ 4.44Å; F593-F746 HydrophobicContact CG-CD1 4.05Å; F593-F746 AromaticContact CG-CE1 3.98Å; F593-F746 HydrophobicContact CG-CE1 3.98Å; I613-F746 HydrophobicContact CD1-CD2 3.38Å; I613-F746 HydrophobicContact CD1-CE2 3.33Å; I613-F746 HydrophobicContact CD1-CG 4.13Å; I613-F746 HydrophobicContact CD1-CZ 4.04Å; I613-F746 HydrophobicContact CG1-CD2 4.25Å; I613-F746 HydrophobicContact CG1-CE2 3.76Å; I613-F746 HydrophobicContact CG1-CZ 4Å; Y699-F746 HydrophobicContact CD1-CE2 4.21Å; V700-F746 PolarHBondContact O-N 3.44Å; I701-F746 WeakPolarHBondContact CA-O 3.42Å; I701-F746 HydrophobicContact CG1-CB 4.37Å; D702-F746 PolarHBondContact N-O 3.4Å; K744-F746 HydrophobicContact CB-CE2 3.87Å; K744-F746 HydrophobicContact CB-CZ 4.22Å; K744-F746 HydrophobicContact CD-CZ 4.38Å
747	R	94.1	Very high	87.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.2	177.8	-68.7	175.7	170.4	-174.6	-6.6	109.2	I592 F593 Y594 T595 D702 A730 N731 Y749 F754	I592-R747 HydrophobicContact CG2-CG 4.26Å; F593-R747 WeakPolarHBondContact O-CB 3.04Å; F593-R747 PolarHBondContact O-N 3.37Å; Y594-R747 HydrophobicContact CD1-CB 3.94Å; Y594-R747 HydrophobicContact CE1-CB 4.26Å; Y594-R747 HydrophobicContact CE1-CG 4.43Å; Y594-R747 PolarHBondContact OH-NH1 3.29Å; T595-R747 PolarHBondContact N-O 3.05Å; D702-R747 HydrophobicContact CB-CG 4.42Å; D702-R747 WeakPolarHBondContact O-CA 3.42Å; A730-R747 VanDerWaalsContact C-NH2 3.29Å; A730-R747 PolarHBondContact O-NH2 2.83Å; N731-R747 PolarHBondContact OD1-NH2 3.48Å; R747-Y749 HydrophobicContact CB-CD1 4.16Å; R747-Y749 HydrophobicContact CB-CD2 4.27Å; R747-Y749 HydrophobicContact CB-CE1 3.77Å; R747-Y749 HydrophobicContact CB-CE2 3.89Å; R747-Y749 HydrophobicContact CB-CG 4.41Å; R747-Y749 WeakPolarHBondContact CD-OH 3.33Å; R747-Y749 HydrophobicContact CG-CE1 4.05Å; R747-Y749 HydrophobicContact CG-CE2 4.11Å; R747-Y749 WeakPolarHBondContact CG-OH 3.23Å; R747-Y749 PolarHBondContact NE-OH 2.91Å; R747-Y749 PolarHBondContact O-N 3.35Å; R747-F754 VanDerWaalsContact NH1-CD2 3.29Å; R747-F754 VanDerWaalsContact NH1-CZ 3.27Å
748	L	92.8	Very high	88	Confident	7 Å²	7	45 Å²	45	4%	0.037	23%	0.227	C	C	.	.	S	Bend	trans	-83	30.1	-178.8	-52.2	179.8	0	0	0	113.2	F372 T595 A605 C606 I701 D702 P703	F372-L748 HydrophobicContact CE1-CD2 4.01Å; F372-L748 HydrophobicContact CZ-CD2 3.97Å; T595-L748 HydrophobicContact CG2-CB 4.48Å; T595-L748 HydrophobicContact CG2-CD2 4.26Å; A605-L748 HydrophobicContact CB-CD1 3.99Å; C606-L748 HydrophobicContact CB-CD1 4.32Å; C606-L748 WeakPolarHBondContact SG-CD1 3.33Å; I701-L748 HydrophobicContact CG2-CD1 4.13Å; I701-L748 HydrophobicContact CG2-CG 4.28Å; D702-L748 PolarHBondContact O-N 3.26Å; P703-L748 HydrophobicContact CB-CD1 4.25Å
749	Y	92.6	Very high	88.7	Confident	16 Å²	16	50.6 Å²	50.6	6%	0.063	25%	0.253	C	S	.	.	S	Bend	trans	-140.5	160.6	178.5	48.5	-91.4	0	0	0	109.1	Y594 T595 D702 G704 A730 R747 F754 M758	Y594-Y749 WeakPolarHBondContact CB-O 3.36Å; Y594-Y749 HydrophobicContact CD1-CD2 4.39Å; Y594-Y749 HydrophobicContact CD1-CE2 4.45Å; Y594-Y749 WeakPolarHBondContact CD1-O 3.31Å; Y594-Y749 HydrophobicContact CE1-CE2 4.19Å; T595-Y749 PolarHBondContact N-O 3.19Å; T595-Y749 WeakPolarHBondContact OG1-CA 3.43Å; T595-Y749 PolarHBondContact OG1-N 3.47Å; D702-Y749 WeakPolarHBondContact O-CE1 3.47Å; D702-Y749 PolarHBondContact OD2-OH 3.08Å; G704-Y749 VanDerWaalsContact CA-CE1 3.49Å; A730-Y749 WeakPolarHBondContact CB-OH 3.13Å; R747-Y749 HydrophobicContact CB-CD1 4.16Å; R747-Y749 HydrophobicContact CB-CD2 4.27Å; R747-Y749 HydrophobicContact CB-CE1 3.77Å; R747-Y749 HydrophobicContact CB-CE2 3.89Å; R747-Y749 HydrophobicContact CB-CG 4.41Å; R747-Y749 WeakPolarHBondContact CD-OH 3.33Å; R747-Y749 HydrophobicContact CG-CE1 4.05Å; R747-Y749 HydrophobicContact CG-CE2 4.11Å; R747-Y749 WeakPolarHBondContact CG-OH 3.23Å; R747-Y749 PolarHBondContact NE-OH 2.91Å; R747-Y749 PolarHBondContact O-N 3.35Å; Y749-F754 HydrophobicContact CD2-CB 4.15Å; Y749-F754 HydrophobicContact CE2-CB 3.87Å; Y749-F754 AromaticContact CE2-CD2 3.98Å; Y749-F754 HydrophobicContact CE2-CD2 3.98Å; Y749-F754 HydrophobicContact CE2-CG 4.31Å; Y749-M758 HydrophobicContact CD1-CE 3.9Å; Y749-M758 HydrophobicContact CD2-CE 3.67Å; Y749-M758 HydrophobicContact CD2-SD 4.47Å; Y749-M758 HydrophobicContact CE1-CE 3.79Å; Y749-M758 HydrophobicContact CE2-CE 3.53Å; Y749-M758 HydrophobicContact CE2-SD 3.96Å; Y749-M758 HydrophobicContact CG-CE 3.84Å
750	T	92.1	Very high	89.2	Confident	23 Å²	23	54.2 Å²	54.2	14%	0.141	27%	0.272	C	S	.	.			trans	-74.3	154.8	-176.7	69.8	0	0	0	0	111.7	W752 A753 F754	T750-W752 PolarHBondContact O-N 2.83Å; T750-A753 PolarHBondContact O-N 2.94Å; T750-A753 WeakPolarHBondContact OG1-CB 3.5Å; T750-A753 PolarHBondContact OG1-N 3.38Å; T750-A753 VanDerWaalsContact OG1-N 3.1Å; T750-F754 PolarHBondContact O-N 2.97Å; T750-F754 VanDerWaalsContact O-N 3.11Å
751	A	89.8	Confident	89.9	Confident	25 Å²	25	52.4 Å²	52.4	21%	0.207	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-23.6	172.2	0	0	0	0	0	112.7	Y594 K755	Y594-A751 HydrophobicContact CD1-CB 4.12Å; Y594-A751 HydrophobicContact CD2-CB 3.93Å; Y594-A751 HydrophobicContact CE1-CB 4.36Å; Y594-A751 HydrophobicContact CE2-CB 4.19Å; Y594-A751 HydrophobicContact CG-CB 3.89Å; A751-K755 WeakPolarHBondContact O-CG 3.35Å; A751-K755 PolarHBondContact O-N 3.23Å
752	W	90.3	Very high	90.2	Very high	151 Å²	151	52.7 Å²	52.7	57%	0.572	26%	0.259	S	S	*	.	H	α-helix	trans	-70.7	-47.7	174.6	-174.2	88.1	0	0	0	111.3	T750 F754 K755 H756 E757	T750-W752 PolarHBondContact O-N 2.83Å; W752-F754 VanDerWaalsContact C-N 3.33Å; W752-F754 PolarHBondContact O-N 2.82Å; W752-K755 PolarHBondContact O-N 2.78Å; W752-K755 VanDerWaalsContact O-N 3.1Å; W752-H756 AromaticContact CD1-CE1 3.8Å; W752-H756 AromaticContact CD1-ND1 3.53Å; W752-H756 HydrophobicContact CD2-CB 4.46Å; W752-H756 AromaticContact CE2-ND1 3.92Å; W752-H756 AromaticContact CG-ND1 3.91Å; W752-H756 HydrophobicContact CH2-CB 4.49Å; W752-H756 HydrophobicContact CZ2-CB 4.14Å; W752-H756 AromaticContact NE1-CE1 3.82Å; W752-H756 AromaticContact NE1-CG 3.97Å; W752-H756 AromaticContact NE1-ND1 3.51Å; W752-H756 PolarHBondContact O-N 3.45Å; W752-H756 PolarHBondContact O-ND1 3.26Å; W752-H756 VanDerWaalsContact O-ND1 3.15Å; W752-E757 HydrophobicContact CE3-CG 4.22Å; W752-E757 HydrophobicContact CH2-CG 4.38Å; W752-E757 HydrophobicContact CZ3-CG 3.66Å; W752-E757 VanDerWaalsContact CZ3-OE1 3.29Å; W752-E757 WeakPolarHBondContact CZ3-OE1 3.3Å
753	A	90.9	Very high	90.3	Very high	6 Å²	6	51.9 Å²	51.9	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-45.6	175.5	0	0	0	0	0	111.6	T750 K755 H756 E757 M758	T750-A753 PolarHBondContact O-N 2.94Å; T750-A753 WeakPolarHBondContact OG1-CB 3.5Å; T750-A753 PolarHBondContact OG1-N 3.38Å; T750-A753 VanDerWaalsContact OG1-N 3.1Å; A753-K755 PolarHBondContact O-N 2.97Å; A753-H756 PolarHBondContact O-N 2.79Å; A753-E757 HydrophobicContact CB-CB 4.42Å; A753-E757 HydrophobicContact CB-CG 4.32Å; A753-E757 WeakPolarHBondContact CB-OE2 3.36Å; A753-E757 WeakPolarHBondContact O-CA 3.49Å; A753-E757 WeakPolarHBondContact O-CB 3.15Å; A753-E757 PolarHBondContact O-N 3.21Å; A753-M758 PolarHBondContact O-N 2.96Å; A753-M758 VanDerWaalsContact O-N 3.13Å
754	F	91.4	Very high	90.3	Very high	24 Å²	24	52.3 Å²	52.3	11%	0.105	25%	0.25	C	S	.	.	H	α-helix	trans	-56.4	-36.7	176	178.5	-108.7	0	0	0	113.5	Y594 R727 A730 R747 Y749 T750 W752 M758	Y594-F754 HydrophobicContact CE1-CB 3.86Å; Y594-F754 HydrophobicContact CE1-CD1 4.44Å; Y594-F754 HydrophobicContact CE1-CG 4.1Å; R727-F754 HydrophobicContact CB-CE2 3.99Å; R727-F754 HydrophobicContact CB-CZ 4.19Å; R727-F754 WeakPolarHBondContact CD-O 3.38Å; R727-F754 HydrophobicContact CG-CD2 4.3Å; R727-F754 HydrophobicContact CG-CE2 3.95Å; R727-F754 HydrophobicContact CG-CZ 4.26Å; R727-F754 WeakPolarHBondContact CG-O 3.26Å; A730-F754 HydrophobicContact CB-CD2 4.47Å; A730-F754 HydrophobicContact CB-CE2 4.01Å; R747-F754 VanDerWaalsContact NH1-CD2 3.29Å; R747-F754 VanDerWaalsContact NH1-CZ 3.27Å; Y749-F754 HydrophobicContact CD2-CB 4.15Å; Y749-F754 HydrophobicContact CE2-CB 3.87Å; Y749-F754 AromaticContact CE2-CD2 3.98Å; Y749-F754 HydrophobicContact CE2-CD2 3.98Å; Y749-F754 HydrophobicContact CE2-CG 4.31Å; T750-F754 PolarHBondContact O-N 2.97Å; T750-F754 VanDerWaalsContact O-N 3.11Å; W752-F754 VanDerWaalsContact C-N 3.33Å; W752-F754 PolarHBondContact O-N 2.82Å; F754-M758 HydrophobicContact CD2-SD 3.98Å
755	K	89.3	Confident	90.2	Very high	120 Å²	120	52.5 Å²	52.5	52%	0.522	25%	0.252	S	S	.	.	H	α-helix	trans	-89	-32	-175.3	-73.2	-178.6	-179.5	179.8	0	113.8	A751 W752 A753	A751-K755 WeakPolarHBondContact O-CG 3.35Å; A751-K755 PolarHBondContact O-N 3.23Å; W752-K755 PolarHBondContact O-N 2.78Å; W752-K755 VanDerWaalsContact O-N 3.1Å; A753-K755 PolarHBondContact O-N 2.97Å
756	H	89.3	Confident	90	Very high	127 Å²	127	52.5 Å²	52.5	59%	0.588	25%	0.252	S	S	*	.	H	α-helix	trans	-118.7	-28.2	-169.1	-57.1	89.6	0	0	0	114.5	W752 A753	W752-H756 AromaticContact CD1-CE1 3.8Å; W752-H756 AromaticContact CD1-ND1 3.53Å; W752-H756 HydrophobicContact CD2-CB 4.46Å; W752-H756 AromaticContact CE2-ND1 3.92Å; W752-H756 AromaticContact CG-ND1 3.91Å; W752-H756 HydrophobicContact CH2-CB 4.49Å; W752-H756 HydrophobicContact CZ2-CB 4.14Å; W752-H756 AromaticContact NE1-CE1 3.82Å; W752-H756 AromaticContact NE1-CG 3.97Å; W752-H756 AromaticContact NE1-ND1 3.51Å; W752-H756 PolarHBondContact O-N 3.45Å; W752-H756 PolarHBondContact O-ND1 3.26Å; W752-H756 VanDerWaalsContact O-ND1 3.15Å; A753-H756 PolarHBondContact O-N 2.79Å
757	E	90	Very high	89.9	Confident	132 Å²	132	55.3 Å²	55.3	62%	0.617	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-36.6	-179.6	-63.9	-178.7	166.3	0	0	112.2	W752 A753	W752-E757 HydrophobicContact CE3-CG 4.22Å; W752-E757 HydrophobicContact CH2-CG 4.38Å; W752-E757 HydrophobicContact CZ3-CG 3.66Å; W752-E757 VanDerWaalsContact CZ3-OE1 3.29Å; W752-E757 WeakPolarHBondContact CZ3-OE1 3.3Å; A753-E757 HydrophobicContact CB-CB 4.42Å; A753-E757 HydrophobicContact CB-CG 4.32Å; A753-E757 WeakPolarHBondContact CB-OE2 3.36Å; A753-E757 WeakPolarHBondContact O-CA 3.49Å; A753-E757 WeakPolarHBondContact O-CB 3.15Å; A753-E757 PolarHBondContact O-N 3.21Å
758	M	90.3	Very high	89.6	Confident	20 Å²	20	57.9 Å²	57.9	10%	0.099	28%	0.275	C	S	.	.	S	Bend	trans	-80.6	132.6	-178.6	-66.7	-175.1	175.6	0	0	112.2	R727 Y749 A753 F754	R727-M758 HydrophobicContact CG-CB 3.83Å; Y749-M758 HydrophobicContact CD1-CE 3.9Å; Y749-M758 HydrophobicContact CD2-CE 3.67Å; Y749-M758 HydrophobicContact CD2-SD 4.47Å; Y749-M758 HydrophobicContact CE1-CE 3.79Å; Y749-M758 HydrophobicContact CE2-CE 3.53Å; Y749-M758 HydrophobicContact CE2-SD 3.96Å; Y749-M758 HydrophobicContact CG-CE 3.84Å; A753-M758 PolarHBondContact O-N 2.96Å; A753-M758 VanDerWaalsContact O-N 3.13Å; F754-M758 HydrophobicContact CD2-SD 3.98Å
759	E	90.1	Very high	89.3	Confident	120 Å²	120	58.1 Å²	58.1	56%	0.561	28%	0.277	S	S	*	.			trans	-64.1	152.4	172.5	-64.6	-176.4	169.6	0	0	111.6	S726 R727	S726-E759 CarbonylContact C-O 3.51Å; S726-E759 WeakPolarHBondContact CA-O 3.29Å; R727-E759 WeakPolarHBondContact CG-O 3.34Å; R727-E759 PolarHBondContact N-O 2.96Å
760	E	86.9	Confident	89	Confident	125 Å²	125	58.9 Å²	58.9	58%	0.584	28%	0.282	S	S	*	.	S	Bend	trans	-65.3	-51.2	-179.3	-165.3	157.9	175.7	0	0	113.3	R727 A728	R727-E760 VanDerWaalsContact NH2-CB 3.27Å; R727-E760 VanDerWaalsContact NH2-CD 3.25Å; R727-E760 VanDerWaalsContact NH2-CG 3.28Å; R727-E760 IonicContact NH2-OE2 2.85Å; R727-E760 PolarHBondContact NH2-OE2 3.32Å; A728-E760 WeakPolarHBondContact CB-O 3.24Å; A728-E760 PolarHBondContact N-O 3.19Å
761	T	85.8	Confident	88.8	Confident	41 Å²	41	57.9 Å²	57.9	25%	0.252	28%	0.276	S	S	.	.	S	Bend	trans	-127.4	148.9	-176.2	51.9	0	0	0	0	108.7	R570	R570-T761 PolarHBondContact NH1-OG1 3.09Å
762	T	85.9	Confident	88.7	Confident	37 Å²	37	56.8 Å²	56.8	23%	0.227	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.7	137.6	172.6	51.1	0	0	0	0	110.6	S726	S726-T762 WeakPolarHBondContact OG-CG2 3.35Å
763	V	88.1	Confident	88.6	Confident	44 Å²	44	52.7 Å²	52.7	27%	0.267	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-53.6	135	167.7	-179.7	0	0	0	0	109.4	Q767 R768	V763-Q767 HydrophobicContact CG1-CB 4.11Å; V763-R768 HydrophobicContact CG1-CG 3.95Å; V763-R768 PolarHBondContact O-NE 3.06Å; V763-R768 PolarHBondContact O-NH1 2.9Å; V763-R768 PolarHBondContact O-NH2 2.55Å
764	P	88.9	Confident	88.5	Confident	10 Å²	10	52.7 Å²	52.7	7%	0.065	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65.9	158.4	-178.1	27.2	-35.7	0	0	0	112.2	R536 I766 Q767 R768 D793	R536-P764 HydrophobicContact CB-CB 4.08Å; P764-I766 VanDerWaalsContact C-N 3.31Å; P764-I766 HydrophobicContact CB-CG2 4.19Å; P764-I766 HydrophobicContact CG-CG2 4.2Å; P764-I766 PolarHBondContact O-N 2.73Å; P764-Q767 HydrophobicContact CG-CG 4.23Å; P764-Q767 PolarHBondContact O-N 2.89Å; P764-R768 PolarHBondContact O-NE 3.35Å; P764-D793 HydrophobicContact CG-CB 3.86Å
765	E	88.4	Confident	88.5	Confident	60 Å²	60	51.6 Å²	51.6	28%	0.28	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-65.1	-34.6	-177.8	-171.1	174.5	-158.9	0	0	112.3	R536 T537 L538 Q767 R768 T769	R536-E765 PolarHBondContact O-N 3.09Å; R536-E765 VanDerWaalsContact O-N 3.16Å; T537-E765 WeakPolarHBondContact CA-OE2 3.43Å; L538-E765 HydrophobicContact CB-CB 4.4Å; L538-E765 HydrophobicContact CB-CG 4.15Å; L538-E765 PolarHBondContact N-OE2 3.39Å; E765-Q767 PolarHBondContact O-N 3.08Å; E765-Q767 VanDerWaalsContact O-N 3.09Å; E765-R768 PolarHBondContact O-N 3.05Å; E765-T769 HydrophobicContact CG-CG2 3.45Å; E765-T769 VanDerWaalsContact CG-CG2 3.45Å; E765-T769 PolarHBondContact O-N 3.37Å; E765-T769 PolarHBondContact O-OG1 2.92Å
766	I	90.3	Very high	88.6	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-56.6	-28.8	-179.1	-165.2	168.5	0	0	0	114.3	L538 P764 R768 L771 F791 D793 P795	L538-I766 HydrophobicContact CD1-CB 3.86Å; L538-I766 HydrophobicContact CD1-CD1 4.45Å; L538-I766 HydrophobicContact CD1-CG1 3.74Å; P764-I766 VanDerWaalsContact C-N 3.31Å; P764-I766 HydrophobicContact CB-CG2 4.19Å; P764-I766 HydrophobicContact CG-CG2 4.2Å; P764-I766 PolarHBondContact O-N 2.73Å; I766-R768 VanDerWaalsContact C-N 3.35Å; I766-L771 HydrophobicContact CG1-CD2 3.98Å; I766-F791 HydrophobicContact CD1-CD1 3.5Å; I766-F791 VanDerWaalsContact CD1-CD1 3.5Å; I766-F791 HydrophobicContact CD1-CE1 3.58Å; I766-F791 HydrophobicContact CD1-CG 4.32Å; I766-F791 HydrophobicContact CD1-CZ 4.43Å; I766-D793 WeakPolarHBondContact CG2-O 3.33Å; I766-P795 HydrophobicContact CD1-CG 4.35Å; I766-P795 HydrophobicContact CG1-CB 4.2Å; I766-P795 HydrophobicContact CG1-CG 4.27Å
767	Q	90.3	Very high	88.5	Confident	73 Å²	73	41 Å²	41	34%	0.341	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-86.3	-6.5	178.8	-67.6	-177	-13.7	0	0	113.4	V763 P764 E765 P794	V763-Q767 HydrophobicContact CG1-CB 4.11Å; P764-Q767 HydrophobicContact CG-CG 4.23Å; P764-Q767 PolarHBondContact O-N 2.89Å; E765-Q767 PolarHBondContact O-N 3.08Å; E765-Q767 VanDerWaalsContact O-N 3.09Å; Q767-P794 PolarHBondContact NE2-O 3.2Å; Q767-P794 VanDerWaalsContact NE2-O 3.11Å
768	R	87.9	Confident	88.5	Confident	53 Å²	53	34.8 Å²	34.8	20%	0.2	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	6.5	-168.4	-58.2	-176.9	-64.5	178.4	8.6	114.3	Q708 Y711 V763 P764 E765 I766	Q708-R768 VanDerWaalsContact CD-NH1 3.33Å; Y711-R768 WeakPolarHBondContact CB-O 3.24Å; Y711-R768 PolarHBondContact N-O 3.25Å; V763-R768 HydrophobicContact CG1-CG 3.95Å; V763-R768 PolarHBondContact O-NE 3.06Å; V763-R768 PolarHBondContact O-NH1 2.9Å; V763-R768 PolarHBondContact O-NH2 2.55Å; P764-R768 PolarHBondContact O-NE 3.35Å; E765-R768 PolarHBondContact O-N 3.05Å; I766-R768 VanDerWaalsContact C-N 3.35Å
769	T	87.6	Confident	88.5	Confident	12 Å²	12	34.8 Å²	34.8	7%	0.074	18%	0.175	C	C	.	.	S	Bend	trans	-126.5	161.1	-179.4	56.4	0	0	0	0	112.2	E765 L771	E765-T769 HydrophobicContact CG-CG2 3.45Å; E765-T769 VanDerWaalsContact CG-CG2 3.45Å; E765-T769 PolarHBondContact O-N 3.37Å; E765-T769 PolarHBondContact O-OG1 2.92Å; T769-L771 PolarHBondContact O-N 2.64Å
770	N	85.4	Confident	88.3	Confident	33 Å²	33	30.8 Å²	30.8	18%	0.176	16%	0.16	C	C	.	.			trans	-65.5	131.9	169.2	-172.8	-17.2	0	0	0	110.7	Y711 G772	Y711-N770 HydrophobicContact CD2-CB 4.26Å; Y711-N770 HydrophobicContact CE2-CB 3.92Å; N770-G772 PolarHBondContact OD1-N 2.77Å
771	L	88.1	Confident	88.3	Confident	2 Å²	2	27 Å²	27	1%	0.01	14%	0.144	C	C	.	.			trans	-95.6	1	-177.3	-59.8	176.7	0	0	0	113.9	L538 I766 T769 N773 V774 V775 P795 T799 L800 A803	L538-L771 HydrophobicContact CD1-CD2 3.75Å; I766-L771 HydrophobicContact CG1-CD2 3.98Å; T769-L771 PolarHBondContact O-N 2.64Å; L771-N773 PolarHBondContact O-N 3.27Å; L771-V774 PolarHBondContact O-N 3.45Å; L771-V775 HydrophobicContact CB-CG2 4.19Å; L771-V775 WeakPolarHBondContact O-CG2 3.43Å; L771-V775 PolarHBondContact O-N 3.22Å; L771-P795 HydrophobicContact CD1-CB 3.47Å; L771-P795 VanDerWaalsContact CD1-CB 3.47Å; L771-P795 HydrophobicContact CD1-CG 3.71Å; L771-T799 HydrophobicContact CB-CG2 4.39Å; L771-T799 HydrophobicContact CD1-CG2 3.69Å; L771-T799 HydrophobicContact CG-CG2 3.81Å; L771-L800 HydrophobicContact CD1-CD2 3.65Å; L771-L800 HydrophobicContact CD1-CG 4.06Å; L771-A803 HydrophobicContact CB-CB 4.22Å
772	G	88	Confident	88.2	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-52.3	-47.1	-175.6	0	0	0	0	0	114	N770 L776	N770-G772 PolarHBondContact OD1-N 2.77Å; G772-L776 PolarHBondContact O-N 3.38Å
773	N	88.4	Confident	88.3	Confident	65 Å²	65	27.2 Å²	27.2	35%	0.348	15%	0.153	S	C	.	.	H	α-helix	trans	-67.5	-38.1	177.6	-170.9	21.9	0	0	0	112.6	L771 L776 L777	L771-N773 PolarHBondContact O-N 3.27Å; N773-L776 PolarHBondContact O-N 3Å; N773-L777 WeakPolarHBondContact O-CB 3.23Å; N773-L777 PolarHBondContact O-N 3.37Å
774	V	88.1	Confident	88.1	Confident	6 Å²	6	30 Å²	30	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-69.3	-43.4	-179.9	165.5	0	0	0	0	111.7	L538 I542 L771 L776 L777 L778	L538-V774 HydrophobicContact CD1-CG2 3.95Å; L538-V774 HydrophobicContact CD2-CG2 3.45Å; L538-V774 VanDerWaalsContact CD2-CG2 3.45Å; L538-V774 HydrophobicContact CG-CG2 3.66Å; I542-V774 HydrophobicContact CD1-CB 3.97Å; I542-V774 HydrophobicContact CD1-CG1 3.31Å; I542-V774 HydrophobicContact CD1-CG2 3.45Å; I542-V774 VanDerWaalsContact CD1-CG2 3.45Å; I542-V774 HydrophobicContact CG1-CG1 3.95Å; L771-V774 PolarHBondContact O-N 3.45Å; V774-L776 VanDerWaalsContact C-N 3.29Å; V774-L776 PolarHBondContact O-N 3.01Å; V774-L777 WeakPolarHBondContact O-CB 3.47Å; V774-L777 PolarHBondContact O-N 3.08Å; V774-L777 VanDerWaalsContact O-N 3.16Å; V774-L778 HydrophobicContact CG1-CD1 3.77Å; V774-L778 HydrophobicContact CG1-CG 4.19Å; V774-L778 WeakPolarHBondContact O-CB 3.36Å; V774-L778 WeakPolarHBondContact O-CG 3.46Å; V774-L778 PolarHBondContact O-N 3.43Å
775	V	91.1	Very high	88	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-41.5	177.1	171.2	0	0	0	0	110.2	L771 L777 L778 K779 L786 L800 A803 L804 L807	L771-V775 HydrophobicContact CB-CG2 4.19Å; L771-V775 WeakPolarHBondContact O-CG2 3.43Å; L771-V775 PolarHBondContact O-N 3.22Å; V775-L777 VanDerWaalsContact C-N 3.33Å; V775-L777 PolarHBondContact O-N 2.79Å; V775-L778 PolarHBondContact O-N 3.36Å; V775-K779 HydrophobicContact CG1-CG 4.47Å; V775-K779 VanDerWaalsContact O-CB 3.31Å; V775-K779 WeakPolarHBondContact O-CB 3.48Å; V775-K779 VanDerWaalsContact O-CG 3.24Å; V775-K779 WeakPolarHBondContact O-CG 3.44Å; V775-K779 PolarHBondContact O-N 3.4Å; V775-L786 HydrophobicContact CG1-CD1 3.72Å; V775-L786 HydrophobicContact CG2-CD1 4.37Å; V775-L800 HydrophobicContact CG2-CD2 3.99Å; V775-A803 HydrophobicContact CB-CB 4.44Å; V775-A803 HydrophobicContact CG2-CB 3.92Å; V775-L804 HydrophobicContact CG1-CD2 3.54Å; V775-L804 HydrophobicContact CG1-CG 4.09Å; V775-L807 HydrophobicContact CB-CD1 3.9Å; V775-L807 HydrophobicContact CG1-CD1 3.56Å
776	L	91.4	Very high	87.9	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-44.7	174.3	-177.8	62.8	0	0	0	111.5	G772 N773 V774 K779 S780 L807 A812 L819 M826 A827 P833	G772-L776 PolarHBondContact O-N 3.38Å; N773-L776 PolarHBondContact O-N 3Å; V774-L776 VanDerWaalsContact C-N 3.29Å; V774-L776 PolarHBondContact O-N 3.01Å; L776-K779 PolarHBondContact O-N 3.24Å; L776-S780 PolarHBondContact O-N 3.26Å; L776-S780 PolarHBondContact O-OG 3.45Å; L776-L807 HydrophobicContact CB-CD1 4.08Å; L776-L807 HydrophobicContact CB-CD2 4.09Å; L776-L807 HydrophobicContact CD1-CD2 4.35Å; L776-A812 HydrophobicContact CD1-CB 4.27Å; L776-L819 HydrophobicContact CD1-CD1 3.51Å; L776-M826 HydrophobicContact CD2-CB 4.04Å; L776-A827 HydrophobicContact CG-CB 4.27Å; L776-P833 HydrophobicContact CD2-CB 4.45Å; L776-P833 HydrophobicContact CD2-CG 4.08Å
777	L	88.3	Confident	87.7	Confident	23 Å²	23	36 Å²	36	12%	0.12	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-46.7	178.7	-178.6	73	0	0	0	112.8	L513 L517 N773 V774 V775 K779 S780 L781	L513-L777 HydrophobicContact CB-CD2 4.05Å; L513-L777 HydrophobicContact CD1-CD2 4.07Å; L513-L777 HydrophobicContact CD2-CD2 4.34Å; L513-L777 HydrophobicContact CG-CD2 4.4Å; L517-L777 HydrophobicContact CD1-CD1 3.63Å; L517-L777 HydrophobicContact CD2-CD1 3.77Å; L517-L777 HydrophobicContact CG-CD1 3.8Å; N773-L777 WeakPolarHBondContact O-CB 3.23Å; N773-L777 PolarHBondContact O-N 3.37Å; V774-L777 WeakPolarHBondContact O-CB 3.47Å; V774-L777 PolarHBondContact O-N 3.08Å; V774-L777 VanDerWaalsContact O-N 3.16Å; V775-L777 VanDerWaalsContact C-N 3.33Å; V775-L777 PolarHBondContact O-N 2.79Å; L777-K779 VanDerWaalsContact C-N 3.28Å; L777-K779 PolarHBondContact O-N 3.21Å; L777-S780 WeakPolarHBondContact CA-OG 3.47Å; L777-S780 PolarHBondContact O-N 3.49Å; L777-S780 PolarHBondContact O-OG 2.97Å; L777-L781 HydrophobicContact CG-CD1 4.41Å; L777-L781 WeakPolarHBondContact O-CG 3.49Å; L777-L781 PolarHBondContact O-N 3.19Å
778	L	89.3	Confident	87.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-40	178	-71.6	172.7	0	0	0	110.9	I542 V774 V775 L781 G782 I783 L786 F789 F791	I542-L778 HydrophobicContact CG2-CD2 3.8Å; V774-L778 HydrophobicContact CG1-CD1 3.77Å; V774-L778 HydrophobicContact CG1-CG 4.19Å; V774-L778 WeakPolarHBondContact O-CB 3.36Å; V774-L778 WeakPolarHBondContact O-CG 3.46Å; V774-L778 PolarHBondContact O-N 3.43Å; V775-L778 PolarHBondContact O-N 3.36Å; L778-L781 PolarHBondContact O-N 3.26Å; L778-G782 PolarHBondContact O-N 3.01Å; L778-I783 HydrophobicContact CB-CB 4.48Å; L778-I783 HydrophobicContact CD2-CD1 3.69Å; L778-I783 WeakPolarHBondContact O-CB 3.47Å; L778-I783 PolarHBondContact O-N 3.24Å; L778-L786 HydrophobicContact CB-CD2 3.68Å; L778-L786 HydrophobicContact CD1-CD2 3.86Å; L778-L786 HydrophobicContact CG-CD2 4.42Å; L778-F789 HydrophobicContact CD2-CE2 4.43Å; L778-F789 HydrophobicContact CD2-CZ 4.26Å; L778-F791 HydrophobicContact CD1-CZ 4.09Å
779	K	89.4	Confident	87.5	Confident	21 Å²	21	37.4 Å²	37.4	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-37.9	175.7	-74.2	-76.6	174.6	170.6	0	112.5	V775 L776 L777 L781 G782 N784 L813 G817	V775-K779 HydrophobicContact CG1-CG 4.47Å; V775-K779 VanDerWaalsContact O-CB 3.31Å; V775-K779 WeakPolarHBondContact O-CB 3.48Å; V775-K779 VanDerWaalsContact O-CG 3.24Å; V775-K779 WeakPolarHBondContact O-CG 3.44Å; V775-K779 PolarHBondContact O-N 3.4Å; L776-K779 PolarHBondContact O-N 3.24Å; L777-K779 VanDerWaalsContact C-N 3.28Å; L777-K779 PolarHBondContact O-N 3.21Å; K779-L781 VanDerWaalsContact C-N 3.3Å; K779-L781 PolarHBondContact O-N 2.65Å; K779-G782 PolarHBondContact O-N 3.34Å; K779-G782 VanDerWaalsContact O-N 3.08Å; K779-N784 PolarHBondContact NZ-O 3.49Å; K779-L813 HydrophobicContact CB-CD2 4.45Å; K779-L813 HydrophobicContact CG-CD2 4.31Å; K779-G817 WeakPolarHBondContact CD-O 3.35Å; K779-G817 WeakPolarHBondContact CE-O 3.41Å; K779-G817 PolarHBondContact NZ-O 3.2Å
780	S	87.6	Confident	87.6	Confident	36 Å²	36	40 Å²	40	25%	0.252	22%	0.22	S	C	.	.	H	α-helix	trans	-70.2	-26.3	175	60.6	0	0	0	0	113.2	L517 L776 L777 G782	L517-S780 WeakPolarHBondContact CD2-OG 3.43Å; L776-S780 PolarHBondContact O-N 3.26Å; L776-S780 PolarHBondContact O-OG 3.45Å; L777-S780 WeakPolarHBondContact CA-OG 3.47Å; L777-S780 PolarHBondContact O-N 3.49Å; L777-S780 PolarHBondContact O-OG 2.97Å; S780-G782 PolarHBondContact O-N 3.06Å
781	L	85.2	Confident	87.8	Confident	45 Å²	45	39.4 Å²	39.4	24%	0.236	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8.7	169.3	-67.9	170.4	0	0	0	113.5	F516 L517 L546 L777 L778 K779 I783	F516-L781 HydrophobicContact CB-CD2 3.67Å; F516-L781 WeakPolarHBondContact O-CD2 2.83Å; L517-L781 HydrophobicContact CD2-CD2 3.79Å; L517-L781 HydrophobicContact CD2-CG 3.98Å; L517-L781 HydrophobicContact CG-CD2 4.41Å; L546-L781 HydrophobicContact CD1-CD1 3.64Å; L546-L781 HydrophobicContact CD2-CD1 4.01Å; L546-L781 HydrophobicContact CG-CD1 4.5Å; L777-L781 HydrophobicContact CG-CD1 4.41Å; L777-L781 WeakPolarHBondContact O-CG 3.49Å; L777-L781 PolarHBondContact O-N 3.19Å; L778-L781 PolarHBondContact O-N 3.26Å; K779-L781 VanDerWaalsContact C-N 3.3Å; K779-L781 PolarHBondContact O-N 2.65Å; L781-I783 HydrophobicContact CB-CD1 4.49Å
782	G	84.8	Confident	87.8	Confident	49 Å²	49	40.6 Å²	40.6	51%	0.505	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	11.9	179.2	0	0	0	0	0	114.6	L778 K779 S780 N784	L778-G782 PolarHBondContact O-N 3.01Å; K779-G782 PolarHBondContact O-N 3.34Å; K779-G782 VanDerWaalsContact O-N 3.08Å; S780-G782 PolarHBondContact O-N 3.06Å; G782-N784 PolarHBondContact O-N 2.86Å
783	I	87.5	Confident	87.8	Confident	34 Å²	34	42.8 Å²	42.8	17%	0.174	23%	0.233	C	C	.	.			trans	-82.1	103.1	176.7	-60.9	163.1	0	0	0	108.7	L546 L778 L781 L786 F789	L546-I783 HydrophobicContact CD2-CD1 3.49Å; L546-I783 VanDerWaalsContact CD2-CD1 3.49Å; L778-I783 HydrophobicContact CB-CB 4.48Å; L778-I783 HydrophobicContact CD2-CD1 3.69Å; L778-I783 WeakPolarHBondContact O-CB 3.47Å; L778-I783 PolarHBondContact O-N 3.24Å; L781-I783 HydrophobicContact CB-CD1 4.49Å; I783-L786 HydrophobicContact CG2-CD2 4.26Å; I783-F789 HydrophobicContact CD1-CD2 3.94Å; I783-F789 HydrophobicContact CD1-CE2 3.54Å; I783-F789 HydrophobicContact CD1-CZ 4.42Å; I783-F789 HydrophobicContact CG2-CD2 3.9Å
784	N	84	Confident	87.9	Confident	103 Å²	103	43.3 Å²	43.3	55%	0.551	24%	0.241	S	C	*	.			trans	-84	-37.2	-178	-72.5	-37.9	0	0	0	113.1	K779 G782 L786	K779-N784 PolarHBondContact NZ-O 3.49Å; G782-N784 PolarHBondContact O-N 2.86Å; N784-L786 PolarHBondContact O-N 3.42Å
785	D	86.3	Confident	88	Confident	80 Å²	80	43.3 Å²	43.3	43%	0.428	24%	0.241	S	C	.	.			trans	-94.1	92.2	179.9	-168.7	-9.9	0	0	0	110.7	I787 H788	D785-I787 VanDerWaalsContact C-N 3.31Å; D785-I787 PolarHBondContact OD1-N 2.84Å; D785-I787 VanDerWaalsContact OD1-N 3.14Å; D785-H788 VanDerWaalsContact CG-ND1 3.27Å; D785-H788 IonicContact OD1-CG 2.69Å; D785-H788 PolarHBondContact OD1-N 3.2Å; D785-H788 VanDerWaalsContact OD1-N 3.13Å; D785-H788 IonicContact OD1-ND1 3.85Å; D785-H788 PolarHBondContact OD1-ND1 3.37Å; D785-H788 VanDerWaalsContact OD1-ND1 3.11Å; D785-H788 IonicContact OD2-CE1 3.7Å; D785-H788 IonicContact OD2-CG 3.13Å; D785-H788 IonicContact OD2-ND1 2.87Å; D785-H788 PolarHBondContact OD2-ND1 2.72Å
786	L	86.6	Confident	87.9	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.042	26%	0.259	C	S	.	.	S	Bend	trans	-78.8	-17.6	179.5	-58.1	172.1	0	0	0	112.6	V775 L778 I783 N784 L804	V775-L786 HydrophobicContact CG1-CD1 3.72Å; V775-L786 HydrophobicContact CG2-CD1 4.37Å; L778-L786 HydrophobicContact CB-CD2 3.68Å; L778-L786 HydrophobicContact CD1-CD2 3.86Å; L778-L786 HydrophobicContact CG-CD2 4.42Å; I783-L786 HydrophobicContact CG2-CD2 4.26Å; N784-L786 PolarHBondContact O-N 3.42Å; L786-L804 HydrophobicContact CD1-CD1 4.32Å; L786-L804 HydrophobicContact CD1-CD2 3.91Å; L786-L804 HydrophobicContact CD1-CG 4.36Å
787	I	86.4	Confident	87.8	Confident	108 Å²	108	51.9 Å²	51.9	55%	0.554	29%	0.286	S	S	*	.	S	Bend	trans	-81	-39.1	-175.6	-63	174.1	0	0	0	109.9	D785	D785-I787 VanDerWaalsContact C-N 3.31Å; D785-I787 PolarHBondContact OD1-N 2.84Å; D785-I787 VanDerWaalsContact OD1-N 3.14Å
788	H	86	Confident	87.7	Confident	138 Å²	138	57.3 Å²	57.3	64%	0.639	31%	0.31	S	S	*	.	S	Bend	trans	-98.3	12.9	178.9	-54.3	97.5	0	0	0	113.4	D785	D785-H788 VanDerWaalsContact CG-ND1 3.27Å; D785-H788 IonicContact OD1-CG 2.69Å; D785-H788 PolarHBondContact OD1-N 3.2Å; D785-H788 VanDerWaalsContact OD1-N 3.13Å; D785-H788 IonicContact OD1-ND1 3.85Å; D785-H788 PolarHBondContact OD1-ND1 3.37Å; D785-H788 VanDerWaalsContact OD1-ND1 3.11Å; D785-H788 IonicContact OD2-CE1 3.7Å; D785-H788 IonicContact OD2-CG 3.13Å; D785-H788 IonicContact OD2-ND1 2.87Å; D785-H788 PolarHBondContact OD2-ND1 2.72Å
789	F	89.1	Confident	87.7	Confident	17 Å²	17	57.8 Å²	57.8	8%	0.075	31%	0.313	C	S	.	.	S	Bend	trans	-64.4	137.8	171.3	-177.3	-97.6	0	0	0	109.9	L546 L778 I783 F791	L546-F789 HydrophobicContact CD2-CE2 4.19Å; L546-F789 HydrophobicContact CD2-CZ 4.25Å; L546-F789 HydrophobicContact CG-CZ 4.29Å; L778-F789 HydrophobicContact CD2-CE2 4.43Å; L778-F789 HydrophobicContact CD2-CZ 4.26Å; I783-F789 HydrophobicContact CD1-CD2 3.94Å; I783-F789 HydrophobicContact CD1-CE2 3.54Å; I783-F789 HydrophobicContact CD1-CZ 4.42Å; I783-F789 HydrophobicContact CG2-CD2 3.9Å; F789-F791 HydrophobicContact CB-CD2 4.2Å; F789-F791 HydrophobicContact CB-CE2 3.78Å; F789-F791 HydrophobicContact CB-CZ 4.21Å; F789-F791 AromaticContact CD1-CD1 3.59Å; F789-F791 HydrophobicContact CD1-CD1 3.59Å; F789-F791 AromaticContact CD1-CD2 3.78Å; F789-F791 HydrophobicContact CD1-CD2 3.78Å; F789-F791 AromaticContact CD1-CE1 3.36Å; F789-F791 HydrophobicContact CD1-CE1 3.36Å; F789-F791 AromaticContact CD1-CE2 3.58Å; F789-F791 HydrophobicContact CD1-CE2 3.58Å; F789-F791 AromaticContact CD1-CG 3.79Å; F789-F791 HydrophobicContact CD1-CG 3.79Å; F789-F791 AromaticContact CD1-CZ 3.36Å; F789-F791 HydrophobicContact CD1-CZ 3.36Å; F789-F791 AromaticContact CE1-CD1 3.83Å; F789-F791 HydrophobicContact CE1-CD1 3.83Å; F789-F791 AromaticContact CE1-CE1 3.63Å; F789-F791 HydrophobicContact CE1-CE1 3.63Å; F789-F791 HydrophobicContact CE1-CG 4.41Å; F789-F791 HydrophobicContact CE1-CZ 4.07Å; F789-F791 HydrophobicContact CG-CD2 4.49Å; F789-F791 HydrophobicContact CG-CE1 4.48Å; F789-F791 HydrophobicContact CG-CE2 4.13Å; F789-F791 HydrophobicContact CG-CZ 4.11Å; F789-F791 WeakPolarHBondContact O-CD2 3.42Å; F789-F791 PolarHBondContact O-N 3.19Å
790	D	88.3	Confident	87.7	Confident	66 Å²	66	57.3 Å²	57.3	35%	0.353	31%	0.312	S	S	.	.			trans	-72.2	69.4	-176.4	-82.2	-5.7	0	0	0	111.3	F574	F574-D790 WeakPolarHBondContact CE2-O 3.48Å; F574-D790 WeakPolarHBondContact CZ-O 3.31Å
791	F	89.9	Confident	87.8	Confident	22 Å²	22	60 Å²	60	10%	0.096	33%	0.326	C	S	.	.			trans	-74.6	141.5	167.3	-63.7	-69.7	0	0	0	110.1	I766 L778 F789 P794	I766-F791 HydrophobicContact CD1-CD1 3.5Å; I766-F791 VanDerWaalsContact CD1-CD1 3.5Å; I766-F791 HydrophobicContact CD1-CE1 3.58Å; I766-F791 HydrophobicContact CD1-CG 4.32Å; I766-F791 HydrophobicContact CD1-CZ 4.43Å; L778-F791 HydrophobicContact CD1-CZ 4.09Å; F789-F791 HydrophobicContact CB-CD2 4.2Å; F789-F791 HydrophobicContact CB-CE2 3.78Å; F789-F791 HydrophobicContact CB-CZ 4.21Å; F789-F791 AromaticContact CD1-CD1 3.59Å; F789-F791 HydrophobicContact CD1-CD1 3.59Å; F789-F791 AromaticContact CD1-CD2 3.78Å; F789-F791 HydrophobicContact CD1-CD2 3.78Å; F789-F791 AromaticContact CD1-CE1 3.36Å; F789-F791 HydrophobicContact CD1-CE1 3.36Å; F789-F791 AromaticContact CD1-CE2 3.58Å; F789-F791 HydrophobicContact CD1-CE2 3.58Å; F789-F791 AromaticContact CD1-CG 3.79Å; F789-F791 HydrophobicContact CD1-CG 3.79Å; F789-F791 AromaticContact CD1-CZ 3.36Å; F789-F791 HydrophobicContact CD1-CZ 3.36Å; F789-F791 AromaticContact CE1-CD1 3.83Å; F789-F791 HydrophobicContact CE1-CD1 3.83Å; F789-F791 AromaticContact CE1-CE1 3.63Å; F789-F791 HydrophobicContact CE1-CE1 3.63Å; F789-F791 HydrophobicContact CE1-CG 4.41Å; F789-F791 HydrophobicContact CE1-CZ 4.07Å; F789-F791 HydrophobicContact CG-CD2 4.49Å; F789-F791 HydrophobicContact CG-CE1 4.48Å; F789-F791 HydrophobicContact CG-CE2 4.13Å; F789-F791 HydrophobicContact CG-CZ 4.11Å; F789-F791 WeakPolarHBondContact O-CD2 3.42Å; F789-F791 PolarHBondContact O-N 3.19Å; F791-P794 HydrophobicContact CB-CB 4.32Å; F791-P794 HydrophobicContact CD2-CB 4.47Å
792	M	87.8	Confident	87.9	Confident	27 Å²	27	60 Å²	60	13%	0.133	33%	0.326	C	S	.	.	S	Bend	trans	-62.9	-49.1	170.6	-174	175.7	-71.8	0	0	110.9	R536 F544 F571 F574	R536-M792 PolarHBondContact NH1-SD 2.9Å; R536-M792 VanDerWaalsContact NH1-SD 3.38Å; F544-M792 HydrophobicContact CD2-CE 3.87Å; F544-M792 HydrophobicContact CE2-CE 4.11Å; F571-M792 HydrophobicContact CD1-CE 3.44Å; F571-M792 VanDerWaalsContact CD1-CE 3.44Å; F571-M792 HydrophobicContact CD1-SD 4.17Å; F571-M792 HydrophobicContact CE1-CE 3.72Å; F571-M792 HydrophobicContact CE1-SD 3.98Å; F571-M792 HydrophobicContact CG-CE 4.43Å; F574-M792 HydrophobicContact CB-CE 3.71Å; F574-M792 HydrophobicContact CD1-CE 3.85Å; F574-M792 HydrophobicContact CD2-CB 3.89Å; F574-M792 HydrophobicContact CD2-CE 4.23Å; F574-M792 HydrophobicContact CD2-CG 4.12Å; F574-M792 HydrophobicContact CE2-CB 4.02Å; F574-M792 HydrophobicContact CG-CB 4.45Å; F574-M792 HydrophobicContact CG-CE 3.64Å; F574-M792 HydrophobicContact CG-CG 4.41Å
793	D	89.1	Confident	88.2	Confident	47 Å²	47	57.8 Å²	57.8	25%	0.251	30%	0.303	S	S	.	.	S	Bend	trans	-125.8	107.3	170.9	-68.5	-58.4	0	0	0	108.2	R536 P764 I766	R536-D793 IonicContact CZ-OD2 2.78Å; R536-D793 VanDerWaalsContact CZ-OD2 3.26Å; R536-D793 IonicContact NH1-OD2 3.61Å; R536-D793 PolarHBondContact NH1-OD2 3.48Å; R536-D793 IonicContact NH2-OD2 3.45Å; R536-D793 PolarHBondContact NH2-OD2 2.94Å; P764-D793 HydrophobicContact CG-CB 3.86Å; I766-D793 WeakPolarHBondContact CG2-O 3.33Å
794	P	89.9	Confident	88.3	Confident	77 Å²	77	58.8 Å²	58.8	50%	0.5	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-67	143.9	-175.8	25.5	-33	0	0	0	111.4	Q767 F791	Q767-P794 PolarHBondContact NE2-O 3.2Å; Q767-P794 VanDerWaalsContact NE2-O 3.11Å; F791-P794 HydrophobicContact CB-CB 4.32Å; F791-P794 HydrophobicContact CD2-CB 4.47Å
795	P	90.5	Very high	88.6	Confident	6 Å²	6	58.5 Å²	58.5	4%	0.039	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-70.6	158.9	172.2	28.1	-32.6	0	0	0	111.8	I766 L771 H797 L800	I766-P795 HydrophobicContact CD1-CG 4.35Å; I766-P795 HydrophobicContact CG1-CB 4.2Å; I766-P795 HydrophobicContact CG1-CG 4.27Å; L771-P795 HydrophobicContact CD1-CB 3.47Å; L771-P795 VanDerWaalsContact CD1-CB 3.47Å; L771-P795 HydrophobicContact CD1-CG 3.71Å; P795-H797 PolarHBondContact O-N 2.94Å; P795-L800 HydrophobicContact CG-CD1 3.85Å; P795-L800 HydrophobicContact CG-CD2 4Å; P795-L800 HydrophobicContact CG-CG 3.85Å
796	P	89.3	Confident	88.7	Confident	59 Å²	59	55.3 Å²	55.3	38%	0.383	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-57	134.4	171.8	-22.6	33.1	0	0	0	111.7	E798 T799 L800	P796-E798 PolarHBondContact O-N 3.2Å; P796-T799 WeakPolarHBondContact O-CB 3.39Å; P796-T799 PolarHBondContact O-N 3.25Å; P796-T799 VanDerWaalsContact O-N 3.09Å; P796-L800 PolarHBondContact O-N 3.14Å
797	H	87.9	Confident	88.9	Confident	123 Å²	123	55 Å²	55	57%	0.569	28%	0.284	S	S	*	.	H	α-helix	trans	-57.9	-34.5	-179.6	-61.7	-61.4	0	0	0	112.8	P795 T799 L800 V801	P795-H797 PolarHBondContact O-N 2.94Å; H797-T799 VanDerWaalsContact C-N 3.32Å; H797-T799 PolarHBondContact O-N 3.16Å; H797-L800 PolarHBondContact O-N 3.41Å; H797-V801 WeakPolarHBondContact O-CG2 3.29Å; H797-V801 PolarHBondContact O-N 3.38Å
798	E	87.7	Confident	89.2	Confident	137 Å²	137	55.6 Å²	55.6	64%	0.64	28%	0.281	S	S	*	.	H	α-helix	trans	-58.3	-43.6	177	-63.2	-176	177.3	0	0	111.8	P796 V801 L802	P796-E798 PolarHBondContact O-N 3.2Å; E798-V801 PolarHBondContact O-N 2.95Å; E798-L802 WeakPolarHBondContact O-CB 3.48Å; E798-L802 WeakPolarHBondContact O-CG 3.4Å; E798-L802 PolarHBondContact O-N 2.86Å
799	T	88.6	Confident	89.4	Confident	11 Å²	11	49.3 Å²	49.3	7%	0.067	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-40.2	178.8	-53.3	0	0	0	0	111.7	Y711 L771 P796 H797 A803	Y711-T799 HydrophobicContact CD1-CG2 4.21Å; Y711-T799 HydrophobicContact CE1-CG2 3.92Å; L771-T799 HydrophobicContact CB-CG2 4.39Å; L771-T799 HydrophobicContact CD1-CG2 3.69Å; L771-T799 HydrophobicContact CG-CG2 3.81Å; P796-T799 WeakPolarHBondContact O-CB 3.39Å; P796-T799 PolarHBondContact O-N 3.25Å; P796-T799 VanDerWaalsContact O-N 3.09Å; H797-T799 VanDerWaalsContact C-N 3.32Å; H797-T799 PolarHBondContact O-N 3.16Å; T799-A803 WeakPolarHBondContact O-CB 3.45Å; T799-A803 PolarHBondContact O-N 3.26Å
800	L	89.4	Confident	89.4	Confident	11 Å²	11	48.6 Å²	48.6	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-65.4	-43.5	176.5	-74.7	174.6	0	0	0	112	L771 V775 P795 P796 H797 A803 L804	L771-L800 HydrophobicContact CD1-CD2 3.65Å; L771-L800 HydrophobicContact CD1-CG 4.06Å; V775-L800 HydrophobicContact CG2-CD2 3.99Å; P795-L800 HydrophobicContact CG-CD1 3.85Å; P795-L800 HydrophobicContact CG-CD2 4Å; P795-L800 HydrophobicContact CG-CG 3.85Å; P796-L800 PolarHBondContact O-N 3.14Å; H797-L800 PolarHBondContact O-N 3.41Å; L800-A803 PolarHBondContact O-N 3.29Å; L800-L804 WeakPolarHBondContact O-CG 3.44Å; L800-L804 PolarHBondContact O-N 3.39Å
801	V	89.6	Confident	89.5	Confident	91 Å²	91	46.8 Å²	46.8	55%	0.552	25%	0.247	S	C	*	.	H	α-helix	trans	-63.9	-43.9	178.8	172.3	0	0	0	0	110.8	H797 E798 A803 L804 E805	H797-V801 WeakPolarHBondContact O-CG2 3.29Å; H797-V801 PolarHBondContact O-N 3.38Å; E798-V801 PolarHBondContact O-N 2.95Å; V801-A803 VanDerWaalsContact C-N 3.35Å; V801-A803 PolarHBondContact O-N 3.42Å; V801-L804 WeakPolarHBondContact O-CB 3.2Å; V801-L804 PolarHBondContact O-N 3.06Å; V801-E805 WeakPolarHBondContact O-CB 3.25Å; V801-E805 PolarHBondContact O-N 3.25Å
802	L	87.7	Confident	89.6	Confident	46 Å²	46	45.8 Å²	45.8	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-37.7	177.5	-73.1	165.8	0	0	0	112.3	A713 E798 E805 Q806	A713-L802 HydrophobicContact CB-CD1 3.79Å; A713-L802 WeakPolarHBondContact O-CD1 3.49Å; E798-L802 WeakPolarHBondContact O-CB 3.48Å; E798-L802 WeakPolarHBondContact O-CG 3.4Å; E798-L802 PolarHBondContact O-N 2.86Å; L802-E805 PolarHBondContact O-N 3.08Å; L802-Q806 WeakPolarHBondContact O-CB 3.47Å; L802-Q806 PolarHBondContact O-N 3.35Å
803	A	90.1	Very high	89.7	Confident	2 Å²	2	44.8 Å²	44.8	2%	0.017	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-41.7	173.3	0	0	0	0	0	111.8	L771 V775 T799 L800 V801 Q806 L807	L771-A803 HydrophobicContact CB-CB 4.22Å; V775-A803 HydrophobicContact CB-CB 4.44Å; V775-A803 HydrophobicContact CG2-CB 3.92Å; T799-A803 WeakPolarHBondContact O-CB 3.45Å; T799-A803 PolarHBondContact O-N 3.26Å; L800-A803 PolarHBondContact O-N 3.29Å; V801-A803 VanDerWaalsContact C-N 3.35Å; V801-A803 PolarHBondContact O-N 3.42Å; A803-Q806 PolarHBondContact O-N 3.36Å; A803-L807 WeakPolarHBondContact O-CG 3.42Å; A803-L807 PolarHBondContact O-N 3.24Å
804	L	90.5	Very high	89.7	Confident	55 Å²	55	44.4 Å²	44.4	29%	0.288	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-42.8	174.2	-73.4	168.9	0	0	0	112	V775 L786 L800 V801 L807 Y808 L813	V775-L804 HydrophobicContact CG1-CD2 3.54Å; V775-L804 HydrophobicContact CG1-CG 4.09Å; L786-L804 HydrophobicContact CD1-CD1 4.32Å; L786-L804 HydrophobicContact CD1-CD2 3.91Å; L786-L804 HydrophobicContact CD1-CG 4.36Å; L800-L804 WeakPolarHBondContact O-CG 3.44Å; L800-L804 PolarHBondContact O-N 3.39Å; V801-L804 WeakPolarHBondContact O-CB 3.2Å; V801-L804 PolarHBondContact O-N 3.06Å; L804-L807 PolarHBondContact O-N 2.62Å; L804-Y808 WeakPolarHBondContact O-CB 3.35Å; L804-Y808 PolarHBondContact O-N 3.36Å; L804-L813 HydrophobicContact CD2-CD1 3.56Å
805	E	89.3	Confident	89.6	Confident	98 Å²	98	45.8 Å²	45.8	46%	0.458	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-42.8	176.1	-173.6	-177.6	172	0	0	111.3	V801 L802 Y808 A809	V801-E805 WeakPolarHBondContact O-CB 3.25Å; V801-E805 PolarHBondContact O-N 3.25Å; L802-E805 PolarHBondContact O-N 3.08Å; E805-Y808 PolarHBondContact O-N 2.93Å; E805-A809 WeakPolarHBondContact O-CB 3.26Å; E805-A809 PolarHBondContact O-N 3.01Å
806	Q	89.2	Confident	89.3	Confident	13 Å²	13	50.3 Å²	50.3	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-47	176.1	-172.6	-178.2	20.9	0	0	111.2	L802 A803 Y808 A809 L810 M834	L802-Q806 WeakPolarHBondContact O-CB 3.47Å; L802-Q806 PolarHBondContact O-N 3.35Å; A803-Q806 PolarHBondContact O-N 3.36Å; Q806-Y808 PolarHBondContact O-N 3.21Å; Q806-A809 PolarHBondContact O-N 3.48Å; Q806-L810 HydrophobicContact CG-CD1 4.29Å; Q806-L810 VanDerWaalsContact O-CG 3.29Å; Q806-L810 WeakPolarHBondContact O-CG 3.47Å; Q806-L810 PolarHBondContact O-N 2.93Å; Q806-M834 PolarHBondContact NE2-SD 3.39Å; Q806-M834 VanDerWaalsContact NE2-SD 3.4Å
807	L	91.6	Very high	89	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.5	-36.3	178.6	-71.2	173.7	0	0	0	112.6	V775 L776 A803 L804 L810 G811 A812 L813 P833	V775-L807 HydrophobicContact CB-CD1 3.9Å; V775-L807 HydrophobicContact CG1-CD1 3.56Å; L776-L807 HydrophobicContact CB-CD1 4.08Å; L776-L807 HydrophobicContact CB-CD2 4.09Å; L776-L807 HydrophobicContact CD1-CD2 4.35Å; A803-L807 WeakPolarHBondContact O-CG 3.42Å; A803-L807 PolarHBondContact O-N 3.24Å; L804-L807 PolarHBondContact O-N 2.62Å; L807-L810 PolarHBondContact O-N 3.01Å; L807-G811 PolarHBondContact O-N 3.45Å; L807-A812 HydrophobicContact CB-CB 4.32Å; L807-A812 HydrophobicContact CD2-CB 4.14Å; L807-A812 WeakPolarHBondContact O-CB 3.41Å; L807-A812 PolarHBondContact O-N 3.47Å; L807-L813 HydrophobicContact CB-CD1 3.67Å; L807-L813 HydrophobicContact CB-CG 3.88Å; L807-L813 HydrophobicContact CD1-CD1 4.05Å; L807-L813 PolarHBondContact O-N 3.1Å; L807-P833 HydrophobicContact CD2-CB 3.76Å; L807-P833 HydrophobicContact CD2-CG 3.84Å
808	Y	91.8	Very high	89	Confident	121 Å²	121	45.1 Å²	45.1	48%	0.475	23%	0.234	S	C	.	.	H	α-helix	trans	-63.2	-46.3	171.7	176.5	-106.8	0	0	0	111.1	L804 E805 Q806 L810 G811 L813 N814 H815	L804-Y808 WeakPolarHBondContact O-CB 3.35Å; L804-Y808 PolarHBondContact O-N 3.36Å; E805-Y808 PolarHBondContact O-N 2.93Å; Q806-Y808 PolarHBondContact O-N 3.21Å; Y808-L810 VanDerWaalsContact C-N 3.31Å; Y808-L810 PolarHBondContact O-N 2.95Å; Y808-G811 WeakPolarHBondContact O-CA 3.19Å; Y808-G811 PolarHBondContact O-N 3.21Å; Y808-L813 WeakPolarHBondContact CD2-O 3.36Å; Y808-N814 WeakPolarHBondContact CD2-O 3.32Å; Y808-H815 HydrophobicContact CE2-CB 4.02Å
809	A	89.6	Confident	89.1	Confident	6 Å²	6	39.9 Å²	39.9	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-38.3	177	0	0	0	0	0	112.2	E805 Q806 G811 F959 H1025 Y1026	E805-A809 WeakPolarHBondContact O-CB 3.26Å; E805-A809 PolarHBondContact O-N 3.01Å; Q806-A809 PolarHBondContact O-N 3.48Å; A809-G811 PolarHBondContact O-N 3.46Å; A809-F959 HydrophobicContact CB-CE2 4.31Å; A809-F959 HydrophobicContact CB-CZ 4.16Å; A809-F959 WeakPolarHBondContact O-CZ 3.46Å; A809-H1025 PolarHBondContact O-NE2 2.66Å; A809-Y1026 HydrophobicContact CB-CD2 4.28Å
810	L	90.4	Very high	89.2	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.9	175	-69.2	170.1	0	0	0	113.1	Q806 L807 Y808 A812 L822 M826 P833 M834 K837 F959	Q806-L810 HydrophobicContact CG-CD1 4.29Å; Q806-L810 VanDerWaalsContact O-CG 3.29Å; Q806-L810 WeakPolarHBondContact O-CG 3.47Å; Q806-L810 PolarHBondContact O-N 2.93Å; L807-L810 PolarHBondContact O-N 3.01Å; Y808-L810 VanDerWaalsContact C-N 3.31Å; Y808-L810 PolarHBondContact O-N 2.95Å; L810-A812 VanDerWaalsContact C-N 3.32Å; L810-L822 WeakPolarHBondContact O-CD2 3.48Å; L810-M826 HydrophobicContact CD1-CE 4.47Å; L810-P833 HydrophobicContact CD1-CB 3.75Å; L810-M834 HydrophobicContact CD1-CG 4.11Å; L810-M834 HydrophobicContact CD2-CG 4.2Å; L810-K837 HydrophobicContact CD2-CB 4.33Å; L810-K837 HydrophobicContact CD2-CG 4.32Å; L810-K837 PolarHBondContact O-NZ 2.85Å; L810-F959 HydrophobicContact CD2-CE1 3.8Å; L810-F959 HydrophobicContact CD2-CZ 4.17Å
811	G	89.2	Confident	89	Confident	28 Å²	28	44 Å²	44	29%	0.289	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	15.5	-174.3	0	0	0	0	0	113.4	L807 Y808 A809 T820	L807-G811 PolarHBondContact O-N 3.45Å; Y808-G811 WeakPolarHBondContact O-CA 3.19Å; Y808-G811 PolarHBondContact O-N 3.21Å; A809-G811 PolarHBondContact O-N 3.46Å; G811-T820 PolarHBondContact O-OG1 3.13Å
812	A	91.7	Very high	88.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-75	-32.8	175.5	0	0	0	0	0	111.5	L776 L807 L810 T820 G823 M826	L776-A812 HydrophobicContact CD1-CB 4.27Å; L807-A812 HydrophobicContact CB-CB 4.32Å; L807-A812 HydrophobicContact CD2-CB 4.14Å; L807-A812 WeakPolarHBondContact O-CB 3.41Å; L807-A812 PolarHBondContact O-N 3.47Å; L810-A812 VanDerWaalsContact C-N 3.32Å; A812-T820 PolarHBondContact O-N 3.31Å; A812-T820 PolarHBondContact O-OG1 3.43Å; A812-G823 WeakPolarHBondContact O-CA 2.97Å; A812-M826 HydrophobicContact CB-CE 4.04Å; A812-M826 HydrophobicContact CB-SD 3.83Å
813	L	91.6	Very high	89	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.031	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-113.3	149.2	175.7	-61.4	175.6	0	0	0	111	K779 L804 L807 Y808 E818 L819	K779-L813 HydrophobicContact CB-CD2 4.45Å; K779-L813 HydrophobicContact CG-CD2 4.31Å; L804-L813 HydrophobicContact CD2-CD1 3.56Å; L807-L813 HydrophobicContact CB-CD1 3.67Å; L807-L813 HydrophobicContact CB-CG 3.88Å; L807-L813 HydrophobicContact CD1-CD1 4.05Å; L807-L813 PolarHBondContact O-N 3.1Å; Y808-L813 WeakPolarHBondContact CD2-O 3.36Å; L813-E818 CarbonylContact C-O 3.6Å; L813-E818 VanDerWaalsContact CA-O 3.28Å; L813-E818 WeakPolarHBondContact CA-O 3.43Å; L813-L819 HydrophobicContact CD2-CD1 4.04Å
814	N	89.1	Confident	88.8	Confident	40 Å²	40	40.8 Å²	40.8	21%	0.214	21%	0.206	C	C	.	.			trans	-82.9	179.2	168.3	71	8	0	0	0	111.1	Y808 L816 G817 E818 T820	Y808-N814 WeakPolarHBondContact CD2-O 3.32Å; N814-L816 PolarHBondContact O-N 3.15Å; N814-L816 WeakPolarHBondContact OD1-CA 2.97Å; N814-L816 WeakPolarHBondContact OD1-CB 3.36Å; N814-L816 PolarHBondContact OD1-N 2.95Å; N814-G817 PolarHBondContact O-N 2.67Å; N814-G817 PolarHBondContact OD1-N 3.32Å; N814-E818 PolarHBondContact N-O 2.93Å; N814-E818 PolarHBondContact ND2-OE2 3.05Å; N814-E818 PolarHBondContact OD1-N 3.34Å; N814-E818 PolarHBondContact OD1-O 3.48Å; N814-T820 HydrophobicContact CB-CG2 4.2Å
815	H	86.2	Confident	88.7	Confident	106 Å²	106	40.6 Å²	40.6	49%	0.491	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.5	-178.8	64.7	-97.6	0	0	0	113.4	E168 Y808	E168-H815 IonicContact OE1-CE1 3.32Å; E168-H815 IonicContact OE2-CE1 4Å; E168-H815 PolarHBondContact OE2-CE1 3.37Å; E168-H815 IonicContact OE2-NE2 3.87Å; Y808-H815 HydrophobicContact CE2-CB 4.02Å
816	L	84	Confident	88.8	Confident	101 Å²	101	35.9 Å²	35.9	53%	0.529	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.9	174.1	-57.4	174.5	0	0	0	112.7	N814 E818	N814-L816 PolarHBondContact O-N 3.15Å; N814-L816 WeakPolarHBondContact OD1-CA 2.97Å; N814-L816 WeakPolarHBondContact OD1-CB 3.36Å; N814-L816 PolarHBondContact OD1-N 2.95Å; L816-E818 HydrophobicContact CB-CG 4.36Å
817	G	84.4	Confident	88.7	Confident	17 Å²	17	36 Å²	36	18%	0.175	18%	0.183	C	C	.	.	S	Bend	trans	78.1	22.5	-176.5	0	0	0	0	0	114.4	K779 N814	K779-G817 WeakPolarHBondContact CD-O 3.35Å; K779-G817 WeakPolarHBondContact CE-O 3.41Å; K779-G817 PolarHBondContact NZ-O 3.2Å; N814-G817 PolarHBondContact O-N 2.67Å; N814-G817 PolarHBondContact OD1-N 3.32Å
818	E	87.2	Confident	88.4	Confident	56 Å²	56	37.8 Å²	37.8	26%	0.262	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-93.2	156.1	169.8	-52.9	179.2	147.3	0	0	110.8	R172 L813 N814 L816	R172-E818 IonicContact CZ-OE1 2.84Å; R172-E818 IonicContact CZ-OE2 3.47Å; R172-E818 IonicContact NE-OE1 3.5Å; R172-E818 IonicContact NE-OE2 3.32Å; R172-E818 PolarHBondContact NE-OE2 3.18Å; R172-E818 IonicContact NH2-OE1 3.97Å; R172-E818 PolarHBondContact NH2-OE1 3.07Å; R172-E818 IonicContact NH2-OE2 3.89Å; L813-E818 CarbonylContact C-O 3.6Å; L813-E818 VanDerWaalsContact CA-O 3.28Å; L813-E818 WeakPolarHBondContact CA-O 3.43Å; N814-E818 PolarHBondContact N-O 2.93Å; N814-E818 PolarHBondContact ND2-OE2 3.05Å; N814-E818 PolarHBondContact OD1-N 3.34Å; N814-E818 PolarHBondContact OD1-O 3.48Å; L816-E818 HydrophobicContact CB-CG 4.36Å
819	L	89.6	Confident	88.1	Confident	26 Å²	26	32.2 Å²	32.2	14%	0.136	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-81.6	120.9	-172.9	-166	70.9	0	0	0	112.1	L776 L813 R824	L776-L819 HydrophobicContact CD1-CD1 3.51Å; L813-L819 HydrophobicContact CD2-CD1 4.04Å; L819-R824 HydrophobicContact CB-CG 4.49Å; L819-R824 HydrophobicContact CD2-CB 4.29Å; L819-R824 HydrophobicContact CD2-CG 3.39Å; L819-R824 HydrophobicContact CG-CG 3.8Å
820	T	90.6	Very high	87.8	Confident	29 Å²	29	33.1 Å²	33.1	18%	0.178	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-74.4	168.5	178.6	68.9	0	0	0	0	111.8	G811 A812 N814 L822 G823 R824	G811-T820 PolarHBondContact O-OG1 3.13Å; A812-T820 PolarHBondContact O-N 3.31Å; A812-T820 PolarHBondContact O-OG1 3.43Å; N814-T820 HydrophobicContact CB-CG2 4.2Å; T820-L822 PolarHBondContact O-N 3.49Å; T820-L822 PolarHBondContact OG1-N 3.37Å; T820-G823 PolarHBondContact O-N 3Å; T820-G823 PolarHBondContact OG1-N 3.35Å; T820-R824 PolarHBondContact O-N 3.05Å; T820-R824 PolarHBondContact O-NE 2.73Å
821	K	85.6	Confident	87.6	Confident	80 Å²	80	33 Å²	33	35%	0.348	18%	0.175	S	C	.	.	H	α-helix	trans	-48.5	-42.3	166.9	-175	179.2	-168	159.7	0	113.2	D175 E178 R825	D175-K821 PolarHBondContact OD1-N 3.19Å; E178-K821 VanDerWaalsContact CD-NZ 3.34Å; E178-K821 IonicContact OE1-NZ 2.97Å; E178-K821 PolarHBondContact OE1-NZ 3.41Å; E178-K821 WeakPolarHBondContact OE2-CD 3.23Å; E178-K821 VanDerWaalsContact OE2-CE 3.29Å; E178-K821 WeakPolarHBondContact OE2-CE 3.44Å; E178-K821 IonicContact OE2-NZ 3.97Å; E178-K821 PolarHBondContact OE2-NZ 2.88Å; K821-R825 WeakPolarHBondContact O-CG 3.34Å; K821-R825 PolarHBondContact O-N 3.35Å
822	L	88.6	Confident	87.6	Confident	45 Å²	45	34.8 Å²	34.8	24%	0.236	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-48	176.5	-177.1	82.5	0	0	0	110.7	L810 T820 R824 R825 M826 K837 L840	L810-L822 WeakPolarHBondContact O-CD2 3.48Å; T820-L822 PolarHBondContact O-N 3.49Å; T820-L822 PolarHBondContact OG1-N 3.37Å; L822-R824 VanDerWaalsContact C-N 3.26Å; L822-R824 PolarHBondContact O-N 3.35Å; L822-R825 PolarHBondContact O-N 3.46Å; L822-R825 VanDerWaalsContact O-N 3.12Å; L822-M826 HydrophobicContact CD2-SD 3.98Å; L822-M826 HydrophobicContact CG-CG 4.37Å; L822-M826 HydrophobicContact CG-SD 3.9Å; L822-M826 VanDerWaalsContact O-CG 3.27Å; L822-M826 WeakPolarHBondContact O-CG 3.43Å; L822-M826 PolarHBondContact O-N 3.09Å; L822-K837 HydrophobicContact CD1-CD 4.46Å; L822-K837 HydrophobicContact CD2-CD 3.73Å; L822-L840 HydrophobicContact CD1-CB 4.24Å; L822-L840 HydrophobicContact CD1-CD1 3.76Å; L822-L840 HydrophobicContact CG-CD1 4.39Å
823	G	89.7	Confident	87.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.6	-38.3	178.1	0	0	0	0	0	113.1	A812 T820 M826 A827	A812-G823 WeakPolarHBondContact O-CA 2.97Å; T820-G823 PolarHBondContact O-N 3Å; T820-G823 PolarHBondContact OG1-N 3.35Å; G823-M826 WeakPolarHBondContact O-CB 3.36Å; G823-M826 PolarHBondContact O-N 2.99Å; G823-A827 PolarHBondContact O-N 2.89Å
824	R	86.2	Confident	87.6	Confident	26 Å²	26	35 Å²	35	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-44.5	174.4	-75.6	179.2	-84.7	142.1	-20.6	112.6	D175 L819 T820 L822 M826 A827 E828	D175-R824 PolarHBondContact O-NH2 3.08Å; D175-R824 IonicContact OD1-CZ 3.93Å; D175-R824 IonicContact OD1-NH2 3.67Å; D175-R824 PolarHBondContact OD1-NH2 3.18Å; D175-R824 IonicContact OD2-CZ 3.03Å; D175-R824 IonicContact OD2-NH2 3.81Å; D175-R824 PolarHBondContact OD2-NH2 2.99Å; L819-R824 HydrophobicContact CB-CG 4.49Å; L819-R824 HydrophobicContact CD2-CB 4.29Å; L819-R824 HydrophobicContact CD2-CG 3.39Å; L819-R824 HydrophobicContact CG-CG 3.8Å; T820-R824 PolarHBondContact O-N 3.05Å; T820-R824 PolarHBondContact O-NE 2.73Å; L822-R824 VanDerWaalsContact C-N 3.26Å; L822-R824 PolarHBondContact O-N 3.35Å; R824-M826 VanDerWaalsContact C-N 3.29Å; R824-M826 PolarHBondContact O-N 3.47Å; R824-A827 PolarHBondContact O-N 3.46Å; R824-E828 PolarHBondContact O-N 3.34Å
825	R	88.1	Confident	87.7	Confident	51 Å²	51	33.4 Å²	33.4	19%	0.192	17%	0.17	C	C	.	.	H	α-helix	trans	-64.3	-35.6	174	-68.1	-176.6	173.3	-167.6	-6.4	111.9	K821 L822 L840 I936	K821-R825 WeakPolarHBondContact O-CG 3.34Å; K821-R825 PolarHBondContact O-N 3.35Å; L822-R825 PolarHBondContact O-N 3.46Å; L822-R825 VanDerWaalsContact O-N 3.12Å; R825-L840 HydrophobicContact CB-CD1 3.82Å; R825-L840 HydrophobicContact CB-CD2 4.12Å; R825-I936 HydrophobicContact CB-CG2 3.82Å; R825-I936 HydrophobicContact CG-CG2 3.73Å
826	M	90.3	Very high	88	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.8	-42.7	176.1	-68.2	171.1	58.9	0	0	111.9	L776 L810 A812 L822 G823 R824 E828 L829 P833 K837 L840	L776-M826 HydrophobicContact CD2-CB 4.04Å; L810-M826 HydrophobicContact CD1-CE 4.47Å; A812-M826 HydrophobicContact CB-CE 4.04Å; A812-M826 HydrophobicContact CB-SD 3.83Å; L822-M826 HydrophobicContact CD2-SD 3.98Å; L822-M826 HydrophobicContact CG-CG 4.37Å; L822-M826 HydrophobicContact CG-SD 3.9Å; L822-M826 VanDerWaalsContact O-CG 3.27Å; L822-M826 WeakPolarHBondContact O-CG 3.43Å; L822-M826 PolarHBondContact O-N 3.09Å; G823-M826 WeakPolarHBondContact O-CB 3.36Å; G823-M826 PolarHBondContact O-N 2.99Å; R824-M826 VanDerWaalsContact C-N 3.29Å; R824-M826 PolarHBondContact O-N 3.47Å; M826-E828 PolarHBondContact O-N 3.27Å; M826-L829 PolarHBondContact O-N 3.01Å; M826-P833 HydrophobicContact CE-CB 3.76Å; M826-P833 WeakPolarHBondContact CE-O 3.49Å; M826-K837 HydrophobicContact CE-CB 4.35Å; M826-L840 HydrophobicContact CB-CD1 4.44Å; M826-L840 HydrophobicContact CG-CD1 3.45Å; M826-L840 VanDerWaalsContact CG-CD1 3.45Å
827	A	88	Confident	88.4	Confident	15 Å²	15	25.7 Å²	25.7	12%	0.124	13%	0.131	C	C	.	.	H	α-helix	trans	-63.2	-25.3	-178.9	0	0	0	0	0	113.7	L776 G823 R824 L829	L776-A827 HydrophobicContact CG-CB 4.27Å; G823-A827 PolarHBondContact O-N 2.89Å; R824-A827 PolarHBondContact O-N 3.46Å; A827-L829 VanDerWaalsContact C-N 3.31Å
828	E	84.8	Confident	88.8	Confident	37 Å²	37	24.9 Å²	24.9	17%	0.173	12%	0.123	C	C	.	.	H	α-helix	trans	-70.4	-26.5	174.5	-71	-66.6	163.4	0	0	112.7	R514 R824 M826 R935 I936	R514-E828 VanDerWaalsContact CZ-O 3.28Å; R514-E828 PolarHBondContact NH1-O 3.17Å; R514-E828 PolarHBondContact NH2-O 3.24Å; R824-E828 PolarHBondContact O-N 3.34Å; M826-E828 PolarHBondContact O-N 3.27Å; E828-R935 IonicContact OE2-CZ 2.73Å; E828-R935 IonicContact OE2-NH1 3.22Å; E828-R935 PolarHBondContact OE2-NH1 3.44Å; E828-I936 HydrophobicContact CB-CD1 3.92Å; E828-I936 HydrophobicContact CB-CG1 4.14Å
829	L	86.1	Confident	89	Confident	5 Å²	5	22.3 Å²	22.3	3%	0.026	11%	0.11	C	C	.	.	S	Bend	trans	-84.1	126.9	179.8	-64.2	174	0	0	0	110.1	M826 A827 V831 I839 L840 L929 L932 I936	M826-L829 PolarHBondContact O-N 3.01Å; A827-L829 VanDerWaalsContact C-N 3.31Å; L829-V831 HydrophobicContact CB-CG2 4.06Å; L829-V831 PolarHBondContact O-N 3.41Å; L829-I839 HydrophobicContact CD1-CB 4.36Å; L829-I839 HydrophobicContact CD1-CD1 4.42Å; L829-I839 HydrophobicContact CD1-CG2 4.26Å; L829-L840 HydrophobicContact CD1-CG 4.5Å; L829-L929 HydrophobicContact CD2-CD2 4.29Å; L829-L932 HydrophobicContact CD2-CB 4.07Å; L829-L932 HydrophobicContact CD2-CD1 4.4Å; L829-I936 HydrophobicContact CD1-CD1 4.4Å; L829-I936 HydrophobicContact CD2-CD1 3.51Å; L829-I936 HydrophobicContact CG-CD1 3.69Å
830	P	83.7	Confident	89.1	Confident	24 Å²	24	21.6 Å²	21.6	16%	0.156	11%	0.107	C	C	.	.	S	Bend	trans	-80	57.3	177.4	33.1	-32.8	0	0	0	109.6	R493 F494 R514 L932	R493-P830 PolarHBondContact NE-O 3.33Å; R493-P830 VanDerWaalsContact NE-O 3.11Å; R493-P830 PolarHBondContact NH2-O 3.03Å; F494-P830 HydrophobicContact CE1-CG 3.83Å; F494-P830 HydrophobicContact CZ-CG 4.25Å; R514-P830 VanDerWaalsContact NH1-CB 3.29Å; R514-P830 VanDerWaalsContact NH1-CD 3.35Å; P830-L932 VanDerWaalsContact CD-CD1 3.44Å; P830-L932 HydrophobicContact CG-CD1 4.06Å
831	V	86.1	Confident	89.1	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.012	10%	0.1	C	C	.	.	S	Bend	trans	-142.2	166.6	178.5	-58.3	0	0	0	0	110.8	L829 L835 S836 I839 L929	L829-V831 HydrophobicContact CB-CG2 4.06Å; L829-V831 PolarHBondContact O-N 3.41Å; V831-L835 HydrophobicContact CB-CB 4.3Å; V831-L835 HydrophobicContact CB-CD2 3.88Å; V831-L835 HydrophobicContact CB-CG 4.46Å; V831-L835 HydrophobicContact CG1-CD2 4.07Å; V831-L835 HydrophobicContact CG2-CB 4.06Å; V831-L835 HydrophobicContact CG2-CD2 4.24Å; V831-L835 HydrophobicContact CG2-CG 4.31Å; V831-S836 WeakPolarHBondContact CG2-OG 3.44Å; V831-S836 PolarHBondContact O-OG 3.41Å; V831-I839 HydrophobicContact CG2-CD1 4.26Å; V831-L929 HydrophobicContact CG1-CD2 4.22Å
832	D	88.1	Confident	89.3	Confident	64 Å²	64	16.6 Å²	16.6	34%	0.342	8%	0.083	S	C	.	.			trans	-53.8	142.5	177	-172.4	-72.3	0	0	0	111	M834 L835 S836	D832-M834 PolarHBondContact O-N 2.88Å; D832-M834 WeakPolarHBondContact OD1-CB 3.21Å; D832-M834 PolarHBondContact OD1-N 3.42Å; D832-L835 HydrophobicContact CB-CB 4.33Å; D832-L835 CarbonylContact O-C 3.59Å; D832-L835 PolarHBondContact O-N 3.23Å; D832-S836 PolarHBondContact O-N 3.1Å; D832-S836 PolarHBondContact O-OG 3.28Å
833	P	91.2	Very high	89.2	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.013	9%	0.088	C	C	.	.	H	α-helix	trans	-49	-39.5	176.3	-29.4	35.1	0	0	0	114.5	L776 L807 L810 M826 S836 K837	L776-P833 HydrophobicContact CD2-CB 4.45Å; L776-P833 HydrophobicContact CD2-CG 4.08Å; L807-P833 HydrophobicContact CD2-CB 3.76Å; L807-P833 HydrophobicContact CD2-CG 3.84Å; L810-P833 HydrophobicContact CD1-CB 3.75Å; M826-P833 HydrophobicContact CE-CB 3.76Å; M826-P833 WeakPolarHBondContact CE-O 3.49Å; P833-S836 PolarHBondContact O-N 3.19Å; P833-K837 WeakPolarHBondContact O-CB 3.47Å; P833-K837 PolarHBondContact O-N 2.82Å
834	M	91.4	Very high	89.1	Confident	9 Å²	9	25.1 Å²	25.1	4%	0.044	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-40.6	177.8	-68.5	178.9	-75.2	0	0	111.8	Q806 L810 D832 K837 M838 G957 Y958 H961	Q806-M834 PolarHBondContact NE2-SD 3.39Å; Q806-M834 VanDerWaalsContact NE2-SD 3.4Å; L810-M834 HydrophobicContact CD1-CG 4.11Å; L810-M834 HydrophobicContact CD2-CG 4.2Å; D832-M834 PolarHBondContact O-N 2.88Å; D832-M834 WeakPolarHBondContact OD1-CB 3.21Å; D832-M834 PolarHBondContact OD1-N 3.42Å; M834-K837 PolarHBondContact O-N 3.06Å; M834-M838 PolarHBondContact O-N 2.84Å; M834-M838 VanDerWaalsContact O-N 3.09Å; M834-G957 VanDerWaalsContact O-CA 3.31Å; M834-G957 WeakPolarHBondContact O-CA 3.45Å; M834-Y958 HydrophobicContact CB-CD1 4.2Å; M834-Y958 HydrophobicContact CB-CE1 3.94Å; M834-Y958 HydrophobicContact SD-CD1 4.31Å; M834-H961 VanDerWaalsContact CE-CE1 3.47Å; M834-H961 WeakPolarHBondContact CE-CE1 3.39Å
835	L	91.7	Very high	89.2	Confident	7 Å²	7	26.8 Å²	26.8	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-69.7	-38.6	176	-163.2	71.9	0	0	0	111.5	V831 D832 K837 M838 I839 A855 L858 Y958	V831-L835 HydrophobicContact CB-CB 4.3Å; V831-L835 HydrophobicContact CB-CD2 3.88Å; V831-L835 HydrophobicContact CB-CG 4.46Å; V831-L835 HydrophobicContact CG1-CD2 4.07Å; V831-L835 HydrophobicContact CG2-CB 4.06Å; V831-L835 HydrophobicContact CG2-CD2 4.24Å; V831-L835 HydrophobicContact CG2-CG 4.31Å; D832-L835 HydrophobicContact CB-CB 4.33Å; D832-L835 CarbonylContact O-C 3.59Å; D832-L835 PolarHBondContact O-N 3.23Å; L835-K837 VanDerWaalsContact C-N 3.33Å; L835-K837 PolarHBondContact O-N 3.33Å; L835-M838 HydrophobicContact CD1-CE 3.32Å; L835-M838 HydrophobicContact CD1-SD 4.3Å; L835-M838 HydrophobicContact CG-CE 4.3Å; L835-M838 WeakPolarHBondContact O-CB 3.32Å; L835-M838 PolarHBondContact O-N 2.96Å; L835-I839 WeakPolarHBondContact O-CG1 3.25Å; L835-I839 PolarHBondContact O-N 2.77Å; L835-A855 HydrophobicContact CD1-CB 4.01Å; L835-A855 HydrophobicContact CD2-CB 4.05Å; L835-A855 HydrophobicContact CG-CB 4.05Å; L835-L858 HydrophobicContact CD1-CD1 3.73Å; L835-Y958 HydrophobicContact CD1-CE2 4.19Å; L835-Y958 VanDerWaalsContact CD1-OH 3.26Å; L835-Y958 WeakPolarHBondContact CD1-OH 3.37Å
836	S	92	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-44.5	174.8	-65	0	0	0	0	110.9	V831 D832 P833 M838 I839 L840	V831-S836 WeakPolarHBondContact CG2-OG 3.44Å; V831-S836 PolarHBondContact O-OG 3.41Å; D832-S836 PolarHBondContact O-N 3.1Å; D832-S836 PolarHBondContact O-OG 3.28Å; P833-S836 PolarHBondContact O-N 3.19Å; S836-M838 VanDerWaalsContact C-N 3.34Å; S836-M838 PolarHBondContact O-N 3.43Å; S836-I839 PolarHBondContact O-N 3.03Å; S836-L840 WeakPolarHBondContact O-CG 3.41Å; S836-L840 PolarHBondContact O-N 3.07Å
837	K	92.2	Very high	89.2	Confident	45 Å²	45	31 Å²	31	20%	0.196	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-41.4	176.4	-179.7	71.2	-178.6	-155.8	0	111.9	L810 L822 M826 P833 M834 L835 L840 A841 A956	L810-K837 HydrophobicContact CD2-CB 4.33Å; L810-K837 HydrophobicContact CD2-CG 4.32Å; L810-K837 PolarHBondContact O-NZ 2.85Å; L822-K837 HydrophobicContact CD1-CD 4.46Å; L822-K837 HydrophobicContact CD2-CD 3.73Å; M826-K837 HydrophobicContact CE-CB 4.35Å; P833-K837 WeakPolarHBondContact O-CB 3.47Å; P833-K837 PolarHBondContact O-N 2.82Å; M834-K837 PolarHBondContact O-N 3.06Å; L835-K837 VanDerWaalsContact C-N 3.33Å; L835-K837 PolarHBondContact O-N 3.33Å; K837-L840 PolarHBondContact O-N 2.73Å; K837-A841 VanDerWaalsContact O-CB 3.28Å; K837-A841 WeakPolarHBondContact O-CB 3.44Å; K837-A841 PolarHBondContact O-N 2.89Å; K837-A956 VanDerWaalsContact CG-O 3.29Å; K837-A956 WeakPolarHBondContact CG-O 3.22Å
838	M	93.1	Very high	89.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-46	175.5	-177.4	-177.6	81.6	0	0	111.7	M834 L835 S836 A841 S842 V851 I854 A855 L858 V954 Y958	M834-M838 PolarHBondContact O-N 2.84Å; M834-M838 VanDerWaalsContact O-N 3.09Å; L835-M838 HydrophobicContact CD1-CE 3.32Å; L835-M838 HydrophobicContact CD1-SD 4.3Å; L835-M838 HydrophobicContact CG-CE 4.3Å; L835-M838 WeakPolarHBondContact O-CB 3.32Å; L835-M838 PolarHBondContact O-N 2.96Å; S836-M838 VanDerWaalsContact C-N 3.34Å; S836-M838 PolarHBondContact O-N 3.43Å; M838-A841 PolarHBondContact O-N 3.19Å; M838-S842 PolarHBondContact O-N 2.84Å; M838-S842 VanDerWaalsContact O-N 3.16Å; M838-V851 HydrophobicContact CE-CG1 3.82Å; M838-V851 HydrophobicContact CG-CG1 3.76Å; M838-V851 HydrophobicContact SD-CG1 4.38Å; M838-I854 HydrophobicContact CE-CG2 4.33Å; M838-A855 HydrophobicContact CE-CB 3.91Å; M838-L858 HydrophobicContact CE-CD1 4.34Å; M838-V954 HydrophobicContact SD-CB 4.28Å; M838-V954 HydrophobicContact SD-CG1 4.46Å; M838-V954 HydrophobicContact SD-CG2 3.76Å; M838-Y958 HydrophobicContact CB-CE2 4.49Å; M838-Y958 HydrophobicContact SD-CD2 4.28Å; M838-Y958 HydrophobicContact SD-CE2 3.89Å
839	I	91.9	Very high	89.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-38.5	178.1	-63.8	165.9	0	0	0	111.4	L829 V831 L835 S836 S842 V851 A855 L929 M933	L829-I839 HydrophobicContact CD1-CB 4.36Å; L829-I839 HydrophobicContact CD1-CD1 4.42Å; L829-I839 HydrophobicContact CD1-CG2 4.26Å; V831-I839 HydrophobicContact CG2-CD1 4.26Å; L835-I839 WeakPolarHBondContact O-CG1 3.25Å; L835-I839 PolarHBondContact O-N 2.77Å; S836-I839 PolarHBondContact O-N 3.03Å; I839-S842 PolarHBondContact O-OG 2.84Å; I839-V851 HydrophobicContact CG1-CG1 4.4Å; I839-A855 HydrophobicContact CD1-CB 3.81Å; I839-A855 HydrophobicContact CG1-CB 3.95Å; I839-L929 HydrophobicContact CD1-CD1 4.44Å; I839-M933 HydrophobicContact CG2-CE 3.84Å; I839-M933 HydrophobicContact CG2-CG 4.17Å; I839-M933 HydrophobicContact CG2-SD 3.6Å; I839-M933 VanDerWaalsContact CG2-SD 3.6Å
840	L	91.1	Very high	89.9	Confident	11 Å²	11	32.9 Å²	32.9	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-73.4	-32.7	177.8	-65.7	175.4	0	0	0	112.3	L822 R825 M826 L829 S836 K837 S842 I936 V938	L822-L840 HydrophobicContact CD1-CB 4.24Å; L822-L840 HydrophobicContact CD1-CD1 3.76Å; L822-L840 HydrophobicContact CG-CD1 4.39Å; R825-L840 HydrophobicContact CB-CD1 3.82Å; R825-L840 HydrophobicContact CB-CD2 4.12Å; M826-L840 HydrophobicContact CB-CD1 4.44Å; M826-L840 HydrophobicContact CG-CD1 3.45Å; M826-L840 VanDerWaalsContact CG-CD1 3.45Å; L829-L840 HydrophobicContact CD1-CG 4.5Å; S836-L840 WeakPolarHBondContact O-CG 3.41Å; S836-L840 PolarHBondContact O-N 3.07Å; K837-L840 PolarHBondContact O-N 2.73Å; L840-S842 VanDerWaalsContact C-N 3.31Å; L840-I936 HydrophobicContact CD2-CG2 4.1Å; L840-V938 HydrophobicContact CD2-CG2 4.02Å
841	A	90.3	Very high	90.4	Very high	5 Å²	5	31.7 Å²	31.7	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-73	-22.6	177.6	0	0	0	0	0	113	K837 M838 E843 Q844 Y845 A956	K837-A841 VanDerWaalsContact O-CB 3.28Å; K837-A841 WeakPolarHBondContact O-CB 3.44Å; K837-A841 PolarHBondContact O-N 2.89Å; M838-A841 PolarHBondContact O-N 3.19Å; A841-E843 PolarHBondContact O-N 2.87Å; A841-Q844 WeakPolarHBondContact O-CB 3.36Å; A841-Q844 PolarHBondContact O-N 3.41Å; A841-Q844 VanDerWaalsContact O-N 3.11Å; A841-Y845 VanDerWaalsContact O-CD2 3.28Å; A841-Y845 WeakPolarHBondContact O-CD2 3.5Å; A841-A956 HydrophobicContact CB-CB 3.48Å; A841-A956 VanDerWaalsContact CB-CB 3.48Å
842	S	90.1	Very high	90.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-26.1	-179.8	70.9	0	0	0	0	113.3	M838 I839 L840 Q844 Y845 K846 C847 S848	M838-S842 PolarHBondContact O-N 2.84Å; M838-S842 VanDerWaalsContact O-N 3.16Å; I839-S842 PolarHBondContact O-OG 2.84Å; L840-S842 VanDerWaalsContact C-N 3.31Å; S842-Q844 VanDerWaalsContact C-N 3.34Å; S842-Y845 CarbonylContact O-C 3.54Å; S842-Y845 PolarHBondContact O-N 3.06Å; S842-K846 PolarHBondContact O-N 3.02Å; S842-C847 PolarHBondContact O-N 3.14Å; S842-S848 VanDerWaalsContact OG-CA 3.28Å; S842-S848 WeakPolarHBondContact OG-CA 3.45Å; S842-S848 PolarHBondContact OG-OG 2.8Å
843	E	87.7	Confident	90.8	Very high	72 Å²	72	29 Å²	29	34%	0.336	13%	0.132	S	C	.	.	H	α-helix	trans	-59.3	-45.7	173.8	-167.9	-175.9	175.7	0	0	111.3	A841 Y845 K846 V938	A841-E843 PolarHBondContact O-N 2.87Å; E843-Y845 VanDerWaalsContact C-N 3.28Å; E843-Y845 PolarHBondContact O-N 3.02Å; E843-K846 PolarHBondContact O-N 3.38Å; E843-V938 HydrophobicContact CB-CG1 3.77Å; E843-V938 HydrophobicContact CG-CG1 3.95Å
844	Q	87.6	Confident	90.9	Very high	152 Å²	152	28.9 Å²	28.9	71%	0.71	13%	0.132	S	C	*	.	H	α-helix	trans	-66	-33.8	-177.8	-59.8	-178	-7	0	0	111.8	A841 S842	A841-Q844 WeakPolarHBondContact O-CB 3.36Å; A841-Q844 PolarHBondContact O-N 3.41Å; A841-Q844 VanDerWaalsContact O-N 3.11Å; S842-Q844 VanDerWaalsContact C-N 3.34Å
845	Y	87.6	Confident	90.9	Very high	60 Å²	60	28.4 Å²	28.4	24%	0.235	13%	0.13	C	C	.	.	H	α-helix	trans	-95.9	-0	-179.4	-60.2	-65	0	0	0	113.7	A841 S842 E843 C847 K952 A953 A956	A841-Y845 VanDerWaalsContact O-CD2 3.28Å; A841-Y845 WeakPolarHBondContact O-CD2 3.5Å; S842-Y845 CarbonylContact O-C 3.54Å; S842-Y845 PolarHBondContact O-N 3.06Å; E843-Y845 VanDerWaalsContact C-N 3.28Å; E843-Y845 PolarHBondContact O-N 3.02Å; Y845-C847 PolarHBondContact O-N 3.29Å; Y845-K952 HydrophobicContact CD1-CB 4.1Å; Y845-K952 HydrophobicContact CD1-CD 4.25Å; Y845-K952 HydrophobicContact CD2-CB 4.33Å; Y845-K952 HydrophobicContact CE1-CB 3.92Å; Y845-K952 HydrophobicContact CE1-CD 3.85Å; Y845-K952 HydrophobicContact CE2-CB 4.15Å; Y845-K952 HydrophobicContact CG-CB 4.31Å; Y845-A953 HydrophobicContact CD2-CB 4.05Å; Y845-A956 HydrophobicContact CE2-CB 4.46Å
846	K	88.3	Confident	90.9	Very high	140 Å²	140	28.1 Å²	28.1	61%	0.609	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	42.8	-180	-55.5	-177.2	178.6	-175.2	0	114	S842 E843 V941 S942 C943	S842-K846 PolarHBondContact O-N 3.02Å; E843-K846 PolarHBondContact O-N 3.38Å; K846-V941 HydrophobicContact CB-CB 4.44Å; K846-V941 HydrophobicContact CB-CG1 4.01Å; K846-S942 CarbonylContact O-C 3.56Å; K846-C943 PolarHBondContact O-N 2.87Å
847	C	91.3	Very high	90.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.128	C	C	.	.			trans	-131	32.3	-179.7	59.4	0	0	0	0	112.6	S842 Y845 E849 E850 V851 V941 C943 P949 I950	S842-C847 PolarHBondContact O-N 3.14Å; Y845-C847 PolarHBondContact O-N 3.29Å; C847-E849 PolarHBondContact O-N 2.91Å; C847-E850 WeakPolarHBondContact CA-OE2 3.45Å; C847-V851 HydrophobicContact CB-CG2 4.49Å; C847-V851 WeakPolarHBondContact O-CB 3.34Å; C847-V851 WeakPolarHBondContact O-CG2 3.15Å; C847-V851 PolarHBondContact O-N 3.1Å; C847-V941 CarbonylContact C-O 3.58Å; C847-C943 HydrophobicContact CB-CB 3.93Å; C847-P949 HydrophobicContact CB-CB 4.17Å; C847-I950 HydrophobicContact CB-CG1 4.12Å
848	S	89.9	Confident	90.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.5	-38.1	-174.4	-58.5	0	0	0	0	113.4	S842 L852 E939 V941	S842-S848 VanDerWaalsContact OG-CA 3.28Å; S842-S848 WeakPolarHBondContact OG-CA 3.45Å; S842-S848 PolarHBondContact OG-OG 2.8Å; S848-L852 VanDerWaalsContact O-CB 3.23Å; S848-L852 WeakPolarHBondContact O-CB 3.47Å; S848-L852 VanDerWaalsContact O-CG 3.31Å; S848-L852 WeakPolarHBondContact O-CG 3.43Å; S848-L852 PolarHBondContact O-N 2.86Å; S848-E939 WeakPolarHBondContact CB-O 3.41Å; S848-E939 PolarHBondContact OG-O 3.27Å; S848-V941 PolarHBondContact N-O 3.33Å
849	E	90.9	Very high	90.3	Very high	78 Å²	78	28.3 Å²	28.3	36%	0.364	14%	0.135	S	C	.	.	H	α-helix	trans	-66.1	-43.7	-178.7	-175.6	176.2	-179	0	0	112.2	C847 T853 R926 V940 V941 S942	C847-E849 PolarHBondContact O-N 2.91Å; E849-T853 PolarHBondContact O-N 2.81Å; E849-T853 PolarHBondContact O-OG1 3.45Å; E849-R926 IonicContact OE1-NH2 3.18Å; E849-V940 HydrophobicContact CB-CG1 4.07Å; E849-V941 PolarHBondContact N-O 3.38Å; E849-S942 WeakPolarHBondContact OE2-CB 2.99Å
850	E	91.9	Very high	89.7	Confident	18 Å²	18	29.1 Å²	29.1	8%	0.084	14%	0.14	C	C	.	.	H	α-helix	trans	-71.2	-43.1	-179.9	-59.9	86	170	0	0	110.9	C847 L852 T853 I854 L893 S942 C943 I950	C847-E850 WeakPolarHBondContact CA-OE2 3.45Å; E850-L852 PolarHBondContact O-N 2.86Å; E850-T853 WeakPolarHBondContact O-CB 3.36Å; E850-T853 PolarHBondContact O-N 2.83Å; E850-I854 VanDerWaalsContact O-CG1 3.31Å; E850-I854 WeakPolarHBondContact O-CG1 3.27Å; E850-I854 PolarHBondContact O-N 3.29Å; E850-L893 HydrophobicContact CB-CD1 4.19Å; E850-L893 HydrophobicContact CB-CD2 3.93Å; E850-L893 HydrophobicContact CG-CD1 4.47Å; E850-L893 HydrophobicContact CG-CD2 4.05Å; E850-S942 WeakPolarHBondContact OE1-CA 3.26Å; E850-S942 WeakPolarHBondContact OE1-CB 3.12Å; E850-S942 PolarHBondContact OE1-OG 2.94Å; E850-C943 PolarHBondContact OE1-N 2.93Å; E850-C943 PolarHBondContact OE1-SG 2.92Å; E850-C943 PolarHBondContact OE2-N 3.48Å; E850-I950 HydrophobicContact CB-CD1 3.76Å; E850-I950 HydrophobicContact CB-CG1 4.16Å; E850-I950 HydrophobicContact CG-CD1 4.01Å
851	V	92.9	Very high	88.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-38.4	178.6	172.8	0	0	0	0	111.6	M838 I839 C847 T853 I854 A855 A953	M838-V851 HydrophobicContact CE-CG1 3.82Å; M838-V851 HydrophobicContact CG-CG1 3.76Å; M838-V851 HydrophobicContact SD-CG1 4.38Å; I839-V851 HydrophobicContact CG1-CG1 4.4Å; C847-V851 HydrophobicContact CB-CG2 4.49Å; C847-V851 WeakPolarHBondContact O-CB 3.34Å; C847-V851 WeakPolarHBondContact O-CG2 3.15Å; C847-V851 PolarHBondContact O-N 3.1Å; V851-T853 VanDerWaalsContact C-N 3.33Å; V851-T853 PolarHBondContact O-N 2.94Å; V851-I854 PolarHBondContact O-N 2.92Å; V851-A855 VanDerWaalsContact O-CB 3.3Å; V851-A855 WeakPolarHBondContact O-CB 3.31Å; V851-A855 PolarHBondContact O-N 3.1Å; V851-A953 HydrophobicContact CG2-CB 3.87Å
852	L	92.3	Very high	87.1	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-56.7	-47.5	171.5	-92.9	170.3	0	0	0	111.8	S848 E850 A855 A856 L929 M933 V940	S848-L852 VanDerWaalsContact O-CB 3.23Å; S848-L852 WeakPolarHBondContact O-CB 3.47Å; S848-L852 VanDerWaalsContact O-CG 3.31Å; S848-L852 WeakPolarHBondContact O-CG 3.43Å; S848-L852 PolarHBondContact O-N 2.86Å; E850-L852 PolarHBondContact O-N 2.86Å; L852-A855 PolarHBondContact O-N 2.84Å; L852-A856 WeakPolarHBondContact O-CB 3.31Å; L852-A856 PolarHBondContact O-N 3.2Å; L852-L929 HydrophobicContact CD2-CB 3.48Å; L852-L929 VanDerWaalsContact CD2-CB 3.48Å; L852-L929 HydrophobicContact CD2-CD1 4.43Å; L852-M933 HydrophobicContact CD1-CE 4.49Å; L852-M933 HydrophobicContact CD1-SD 3.44Å; L852-M933 WeakPolarHBondContact CD1-SD 3.48Å; L852-M933 HydrophobicContact CD2-CG 4.41Å; L852-M933 HydrophobicContact CD2-SD 3.35Å; L852-M933 WeakPolarHBondContact CD2-SD 3.4Å; L852-M933 HydrophobicContact CG-CE 4.49Å; L852-M933 HydrophobicContact CG-SD 3.36Å; L852-M933 WeakPolarHBondContact CG-SD 3.3Å; L852-V940 HydrophobicContact CD1-CG1 4.43Å; L852-V940 HydrophobicContact CD1-CG2 4.32Å
853	T	92.4	Very high	85.8	Confident	5 Å²	5	35 Å²	35	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-44.2	-179.6	-56.5	0	0	0	0	110.9	E849 E850 V851 A856 M857 L893 Y896 R926	E849-T853 PolarHBondContact O-N 2.81Å; E849-T853 PolarHBondContact O-OG1 3.45Å; E850-T853 WeakPolarHBondContact O-CB 3.36Å; E850-T853 PolarHBondContact O-N 2.83Å; V851-T853 VanDerWaalsContact C-N 3.33Å; V851-T853 PolarHBondContact O-N 2.94Å; T853-A856 PolarHBondContact O-N 2.97Å; T853-M857 VanDerWaalsContact O-CG 3.26Å; T853-M857 WeakPolarHBondContact O-CG 3.13Å; T853-M857 PolarHBondContact O-N 3.31Å; T853-L893 HydrophobicContact CG2-CD1 3.82Å; T853-Y896 HydrophobicContact CG2-CD1 3.27Å; T853-Y896 HydrophobicContact CG2-CD2 4.29Å; T853-Y896 HydrophobicContact CG2-CE1 3.93Å; T853-Y896 HydrophobicContact CG2-CG 3.48Å; T853-Y896 VanDerWaalsContact CG2-CG 3.48Å; T853-R926 PolarHBondContact OG1-NE 2.82Å; T853-R926 VanDerWaalsContact OG1-NE 3.16Å
854	I	92.4	Very high	85.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-47.7	174.5	-68.2	168	0	0	0	110.4	M838 E850 V851 A856 M857 L858 H889 L893 I950	M838-I854 HydrophobicContact CE-CG2 4.33Å; E850-I854 VanDerWaalsContact O-CG1 3.31Å; E850-I854 WeakPolarHBondContact O-CG1 3.27Å; E850-I854 PolarHBondContact O-N 3.29Å; V851-I854 PolarHBondContact O-N 2.92Å; I854-A856 VanDerWaalsContact C-N 3.31Å; I854-A856 PolarHBondContact O-N 3.34Å; I854-M857 PolarHBondContact O-N 2.99Å; I854-L858 HydrophobicContact CG2-CD1 3.79Å; I854-L858 HydrophobicContact CG2-CG 4.12Å; I854-L858 WeakPolarHBondContact O-CB 3.05Å; I854-L858 VanDerWaalsContact O-CG 3.23Å; I854-L858 WeakPolarHBondContact O-CG 3.28Å; I854-L858 PolarHBondContact O-N 3.06Å; I854-H889 HydrophobicContact CG2-CB 4.22Å; I854-L893 HydrophobicContact CD1-CB 4.42Å; I854-L893 HydrophobicContact CG1-CB 4.05Å; I854-I950 HydrophobicContact CD1-CG2 3.58Å
855	A	91.8	Very high	85.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-38.2	179.7	0	0	0	0	0	112.8	L835 M838 I839 V851 L852 S859 L929	L835-A855 HydrophobicContact CD1-CB 4.01Å; L835-A855 HydrophobicContact CD2-CB 4.05Å; L835-A855 HydrophobicContact CG-CB 4.05Å; M838-A855 HydrophobicContact CE-CB 3.91Å; I839-A855 HydrophobicContact CD1-CB 3.81Å; I839-A855 HydrophobicContact CG1-CB 3.95Å; V851-A855 VanDerWaalsContact O-CB 3.3Å; V851-A855 WeakPolarHBondContact O-CB 3.31Å; V851-A855 PolarHBondContact O-N 3.1Å; L852-A855 PolarHBondContact O-N 2.84Å; A855-S859 WeakPolarHBondContact O-CB 3.32Å; A855-S859 PolarHBondContact O-N 2.78Å; A855-S859 PolarHBondContact O-OG 2.95Å; A855-L929 HydrophobicContact CB-CD1 4.49Å
856	A	91.1	Very high	85	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-65.9	-43.6	175	0	0	0	0	0	111.9	L852 T853 I854 S859 V860 A922 V925 R926	L852-A856 WeakPolarHBondContact O-CB 3.31Å; L852-A856 PolarHBondContact O-N 3.2Å; T853-A856 PolarHBondContact O-N 2.97Å; I854-A856 VanDerWaalsContact C-N 3.31Å; I854-A856 PolarHBondContact O-N 3.34Å; A856-S859 PolarHBondContact O-N 3.27Å; A856-V860 PolarHBondContact O-N 3.13Å; A856-A922 WeakPolarHBondContact CB-O 3.35Å; A856-V925 HydrophobicContact CB-CB 4.26Å; A856-V925 HydrophobicContact CB-CG1 3.97Å; A856-R926 HydrophobicContact CB-CB 3.8Å
857	M	90.4	Very high	84.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-41.6	176.6	-69.4	-68.1	-84.6	0	0	112.2	T853 I854 S859 V860 N861 I864 L892 V895 Y896 M919 A922	T853-M857 VanDerWaalsContact O-CG 3.26Å; T853-M857 WeakPolarHBondContact O-CG 3.13Å; T853-M857 PolarHBondContact O-N 3.31Å; I854-M857 PolarHBondContact O-N 2.99Å; M857-S859 VanDerWaalsContact C-N 3.3Å; M857-S859 PolarHBondContact O-N 2.73Å; M857-V860 PolarHBondContact O-N 3.16Å; M857-N861 PolarHBondContact O-N 2.93Å; M857-I864 HydrophobicContact CE-CD1 3.71Å; M857-I864 HydrophobicContact CE-CG2 4.26Å; M857-I864 HydrophobicContact SD-CD1 4.17Å; M857-L892 HydrophobicContact CB-CB 3.97Å; M857-L892 HydrophobicContact CB-CD1 4.25Å; M857-L892 HydrophobicContact CB-CD2 4.49Å; M857-L892 HydrophobicContact CB-CG 4.47Å; M857-L892 HydrophobicContact CE-CB 4.48Å; M857-L892 HydrophobicContact CE-CD2 4.26Å; M857-L892 WeakPolarHBondContact CE-O 3.41Å; M857-L892 HydrophobicContact CG-CB 4.41Å; M857-V895 HydrophobicContact CE-CB 4.42Å; M857-V895 HydrophobicContact CE-CG1 4.2Å; M857-Y896 HydrophobicContact CG-CD2 4.42Å; M857-Y896 HydrophobicContact SD-CD2 3.9Å; M857-M919 HydrophobicContact CE-CE 3.99Å; M857-M919 HydrophobicContact CE-SD 3.72Å; M857-M919 HydrophobicContact SD-CE 4.18Å; M857-M919 HydrophobicContact SD-SD 4.01Å; M857-A922 HydrophobicContact SD-CB 3.69Å
858	L	89.5	Confident	84.2	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-35.8	174.3	-69.6	174.7	0	0	0	112	L835 M838 I854 V860 N861 L892 Q1010	L835-L858 HydrophobicContact CD1-CD1 3.73Å; M838-L858 HydrophobicContact CE-CD1 4.34Å; I854-L858 HydrophobicContact CG2-CD1 3.79Å; I854-L858 HydrophobicContact CG2-CG 4.12Å; I854-L858 WeakPolarHBondContact O-CB 3.05Å; I854-L858 VanDerWaalsContact O-CG 3.23Å; I854-L858 WeakPolarHBondContact O-CG 3.28Å; I854-L858 PolarHBondContact O-N 3.06Å; L858-V860 VanDerWaalsContact C-N 3.27Å; L858-V860 PolarHBondContact O-N 3.2Å; L858-N861 WeakPolarHBondContact O-CB 3.45Å; L858-N861 PolarHBondContact O-N 2.91Å; L858-L892 HydrophobicContact CD2-CD1 3.78Å; L858-L892 HydrophobicContact CG-CD1 4.31Å; L858-Q1010 HydrophobicContact CD2-CB 4.47Å; L858-Q1010 VanDerWaalsContact CD2-CD 3.4Å; L858-Q1010 HydrophobicContact CD2-CG 4.36Å
859	S	84.8	Confident	83.6	Confident	44 Å²	44	35.5 Å²	35.5	31%	0.308	17%	0.168	S	C	.	.	H	α-helix	trans	-69.5	-22.1	-179.9	-63.4	0	0	0	0	113.7	A855 A856 M857	A855-S859 WeakPolarHBondContact O-CB 3.32Å; A855-S859 PolarHBondContact O-N 2.78Å; A855-S859 PolarHBondContact O-OG 2.95Å; A856-S859 PolarHBondContact O-N 3.27Å; M857-S859 VanDerWaalsContact C-N 3.3Å; M857-S859 PolarHBondContact O-N 2.73Å
860	V	79.3	Confident	83.1	Confident	18 Å²	18	39.4 Å²	39.4	11%	0.109	19%	0.192	C	C	.	.	H	α-helix	trans	-91.7	-24.2	-179.1	178.6	0	0	0	0	113	A856 M857 L858 R921 A922	A856-V860 PolarHBondContact O-N 3.13Å; M857-V860 PolarHBondContact O-N 3.16Å; L858-V860 VanDerWaalsContact C-N 3.27Å; L858-V860 PolarHBondContact O-N 3.2Å; V860-R921 HydrophobicContact CG2-CB 4.26Å; V860-R921 HydrophobicContact CG2-CG 3.88Å; V860-A922 HydrophobicContact CG2-CB 3.93Å
861	N	67.7	Low	82.7	Confident	31 Å²	31	43.4 Å²	43.4	17%	0.166	21%	0.209	C	C	.	.			trans	19.6	153.5	177.2	-143.5	-2.5	0	0	0	121.5	M857 L858 S863 Q1010	M857-N861 PolarHBondContact O-N 2.93Å; L858-N861 WeakPolarHBondContact O-CB 3.45Å; L858-N861 PolarHBondContact O-N 2.91Å; N861-S863 PolarHBondContact O-N 3.19Å; N861-S863 PolarHBondContact O-OG 3.21Å; N861-Q1010 VanDerWaalsContact CG-NE2 3.34Å; N861-Q1010 PolarHBondContact OD1-NE2 3.44Å
862	N	59.6	Low	82.3	Confident	93 Å²	93	45.2 Å²	45.2	50%	0.497	22%	0.22	S	C	.	.	S	Bend	trans	57.1	-6.7	170	-70.6	-35.4	0	0	0	118.4	R1009	N862-R1009 PolarHBondContact ND2-NH1 3.23Å
863	S	61.9	Low	82.1	Confident	14 Å²	14	49.8 Å²	49.8	10%	0.098	25%	0.248	C	C	.	.	S	Bend	trans	-115.5	-3.7	-179.3	60.4	0	0	0	0	113.6	N861 Q915 S918	N861-S863 PolarHBondContact O-N 3.19Å; N861-S863 PolarHBondContact O-OG 3.21Å; S863-Q915 VanDerWaalsContact O-CB 3.28Å; S863-Q915 WeakPolarHBondContact O-CB 3.17Å; S863-Q915 WeakPolarHBondContact O-CG 3.42Å; S863-Q915 PolarHBondContact O-NE2 2.82Å; S863-Q915 PolarHBondContact O-OE1 2.78Å; S863-S918 PolarHBondContact OG-OG 3.49Å
864	I	80.9	Confident	81.9	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-66.6	-51.7	-176.4	-62.1	164.2	0	0	0	110.3	M857 L892 I914 Q915 M919	M857-I864 HydrophobicContact CE-CD1 3.71Å; M857-I864 HydrophobicContact CE-CG2 4.26Å; M857-I864 HydrophobicContact SD-CD1 4.17Å; I864-L892 HydrophobicContact CD1-CD2 3.88Å; I864-I914 HydrophobicContact CG2-CG2 4.11Å; I864-I914 CarbonylContact O-C 3.5Å; I864-I914 VanDerWaalsContact O-CA 3.28Å; I864-I914 WeakPolarHBondContact O-CA 3.22Å; I864-Q915 PolarHBondContact O-N 3.02Å; I864-M919 HydrophobicContact CG2-SD 4Å
865	F	84.9	Confident	81.6	Confident	58 Å²	58	55.7 Å²	55.7	25%	0.254	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-87.7	120.8	178.8	-57.9	-72	0	0	0	110.3	R879 V891 L892 V895	F865-R879 HydrophobicContact CD1-CG 4.43Å; F865-R879 HydrophobicContact CE1-CG 4.3Å; F865-V891 HydrophobicContact CZ-CG1 4.27Å; F865-L892 HydrophobicContact CE2-CD2 4.38Å; F865-V895 HydrophobicContact CE1-CG2 4.05Å; F865-V895 HydrophobicContact CZ-CG2 4Å
866	Y	81.4	Confident	81.2	Confident	105 Å²	105	58 Å²	58	41%	0.412	29%	0.289	S	S	.	.			trans	-94.3	118.5	174.6	-179.5	-124	0	0	0	109.9	P868 F913	Y866-P868 VanDerWaalsContact C-CD 3.49Å; Y866-P868 HydrophobicContact CD1-CG 4.08Å; Y866-P868 HydrophobicContact CE1-CB 3.85Å; Y866-P868 HydrophobicContact CE1-CG 3.71Å; Y866-P868 VanDerWaalsContact O-CD 3.23Å; Y866-P868 WeakPolarHBondContact O-CD 3.47Å; Y866-F913 WeakPolarHBondContact CB-O 3.28Å; Y866-F913 PolarHBondContact N-O 3.45Å; Y866-F913 WeakPolarHBondContact O-CB 3.48Å
867	R	82.7	Confident	81.1	Confident	134 Å²	134	62.6 Å²	62.6	51%	0.506	31%	0.313	S	S	.	.			trans	-118.9	78.5	-177.6	-167.8	175.1	-174.2	-111.5	7.2	110.8	V872 A875 D876	R867-V872 HydrophobicContact CG-CG2 4.33Å; R867-V872 VanDerWaalsContact CZ-CG1 3.45Å; R867-A875 HydrophobicContact CG-CB 4.35Å; R867-D876 IonicContact CZ-OD1 3.71Å; R867-D876 IonicContact CZ-OD2 3.75Å; R867-D876 IonicContact NE-OD1 2.9Å; R867-D876 PolarHBondContact NE-OD1 3.01Å; R867-D876 IonicContact NE-OD2 3.54Å; R867-D876 PolarHBondContact NE-OD2 3.35Å; R867-D876 IonicContact NH2-OD1 2.68Å; R867-D876 IonicContact NH2-OD2 3.62Å; R867-D876 PolarHBondContact NH2-OD2 3.36Å
868	P	79.1	Confident	80.9	Confident	22 Å²	22	63.1 Å²	63.1	14%	0.143	32%	0.317	C	S	.	.			trans	-67.1	137.5	177.9	26.3	-32.6	0	0	0	111	Y866 D870 K871 V872 F913	Y866-P868 VanDerWaalsContact C-CD 3.49Å; Y866-P868 HydrophobicContact CD1-CG 4.08Å; Y866-P868 HydrophobicContact CE1-CB 3.85Å; Y866-P868 HydrophobicContact CE1-CG 3.71Å; Y866-P868 VanDerWaalsContact O-CD 3.23Å; Y866-P868 WeakPolarHBondContact O-CD 3.47Å; P868-D870 VanDerWaalsContact C-N 3.26Å; P868-D870 PolarHBondContact O-N 2.9Å; P868-K871 HydrophobicContact CG-CB 4.07Å; P868-K871 CarbonylContact O-C 3.59Å; P868-K871 PolarHBondContact O-N 3.18Å; P868-V872 WeakPolarHBondContact O-CG2 3.28Å; P868-V872 PolarHBondContact O-N 3.44Å; P868-V872 VanDerWaalsContact O-N 3.13Å; P868-F913 HydrophobicContact CG-CD1 4.12Å; P868-F913 HydrophobicContact CG-CE1 4.03Å
869	K	77.1	Confident	80.7	Confident	111 Å²	111	65.5 Å²	65.5	48%	0.483	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-54.2	-39.6	-177.2	-65.3	-177.3	-170.7	168	0	113	E637 K871 V872	E637-K869 IonicContact OE1-NZ 3.42Å; E637-K869 PolarHBondContact OE1-NZ 2.99Å; E637-K869 IonicContact OE2-NZ 3.52Å; K869-K871 VanDerWaalsContact C-N 3.32Å; K869-K871 PolarHBondContact O-N 2.94Å; K869-V872 VanDerWaalsContact O-CG2 3.31Å; K869-V872 WeakPolarHBondContact O-CG2 3.3Å
870	D	80.1	Confident	80.7	Confident	160 Å²	160	69.2 Å²	69.2	86%	0.856	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-73.1	-21.5	-177.9	-57.8	-28.1	0	0	0	113.9	P868	P868-D870 VanDerWaalsContact C-N 3.26Å; P868-D870 PolarHBondContact O-N 2.9Å
871	K	84.6	Confident	81.1	Confident	101 Å²	101	73.9 Å²	73.9	44%	0.439	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-126.3	29.7	-175.4	-53.5	179.4	179.6	178.3	0	112.7	P868 K869 V873 H874 A875 F913	P868-K871 HydrophobicContact CG-CB 4.07Å; P868-K871 CarbonylContact O-C 3.59Å; P868-K871 PolarHBondContact O-N 3.18Å; K869-K871 VanDerWaalsContact C-N 3.32Å; K869-K871 PolarHBondContact O-N 2.94Å; K871-V873 VanDerWaalsContact C-N 3.29Å; K871-V873 PolarHBondContact O-N 3.22Å; K871-H874 HydrophobicContact CB-CB 4.42Å; K871-H874 PolarHBondContact O-N 2.92Å; K871-H874 VanDerWaalsContact O-N 3.12Å; K871-A875 PolarHBondContact O-N 3.17Å; K871-F913 HydrophobicContact CB-CE1 3.97Å; K871-F913 HydrophobicContact CB-CZ 4.16Å; K871-F913 HydrophobicContact CD-CE1 4.08Å; K871-F913 HydrophobicContact CD-CZ 4.24Å
872	V	84.4	Confident	82	Confident	38 Å²	38	72.5 Å²	72.5	23%	0.23	36%	0.356	C	S	.	.	H	α-helix	trans	-51.4	-46.9	-179.3	167	0	0	0	0	112	R867 P868 K869 H874 A875 D876	R867-V872 HydrophobicContact CG-CG2 4.33Å; R867-V872 VanDerWaalsContact CZ-CG1 3.45Å; P868-V872 WeakPolarHBondContact O-CG2 3.28Å; P868-V872 PolarHBondContact O-N 3.44Å; P868-V872 VanDerWaalsContact O-N 3.13Å; K869-V872 VanDerWaalsContact O-CG2 3.31Å; K869-V872 WeakPolarHBondContact O-CG2 3.3Å; V872-H874 VanDerWaalsContact C-N 3.34Å; V872-H874 PolarHBondContact O-N 3.26Å; V872-A875 PolarHBondContact O-N 3.43Å; V872-D876 WeakPolarHBondContact CG1-OD2 3.48Å; V872-D876 WeakPolarHBondContact O-CB 3.44Å; V872-D876 VanDerWaalsContact O-CG 3.28Å; V872-D876 PolarHBondContact O-N 3.33Å
873	V	88.3	Confident	83.3	Confident	100 Å²	100	70.9 Å²	70.9	61%	0.606	35%	0.35	S	S	*	.	H	α-helix	trans	-63.6	-39.7	-178	-177.9	0	0	0	0	111.8	K871 N877	K871-V873 VanDerWaalsContact C-N 3.29Å; K871-V873 PolarHBondContact O-N 3.22Å; V873-N877 WeakPolarHBondContact O-CB 3.36Å; V873-N877 PolarHBondContact O-N 3.13Å; V873-N877 PolarHBondContact O-ND2 3.36Å
874	H	87.4	Confident	84.3	Confident	121 Å²	121	71.9 Å²	71.9	56%	0.56	36%	0.355	S	S	*	.	H	α-helix	trans	-69.6	-40.3	177.5	-65.1	-70.2	0	0	0	111.8	K871 V872 N877 A878 F913	K871-H874 HydrophobicContact CB-CB 4.42Å; K871-H874 PolarHBondContact O-N 2.92Å; K871-H874 VanDerWaalsContact O-N 3.12Å; V872-H874 VanDerWaalsContact C-N 3.34Å; V872-H874 PolarHBondContact O-N 3.26Å; H874-N877 PolarHBondContact O-N 3.37Å; H874-A878 WeakPolarHBondContact O-CB 3.34Å; H874-A878 PolarHBondContact O-N 3.24Å; H874-F913 HydrophobicContact CB-CE2 3.75Å; H874-F913 HydrophobicContact CB-CZ 3.64Å
875	A	85.6	Confident	84.3	Confident	8 Å²	8	76.2 Å²	76.2	7%	0.066	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-43.1	176.3	0	0	0	0	0	111.6	R867 K871 V872 A878 R879 F913	R867-A875 HydrophobicContact CG-CB 4.35Å; K871-A875 PolarHBondContact O-N 3.17Å; V872-A875 PolarHBondContact O-N 3.43Å; A875-A878 PolarHBondContact O-N 3.1Å; A875-R879 WeakPolarHBondContact O-CB 3.49Å; A875-R879 PolarHBondContact O-N 3.37Å; A875-F913 HydrophobicContact CB-CB 4.2Å; A875-F913 HydrophobicContact CB-CD1 3.97Å; A875-F913 HydrophobicContact CB-CD2 4.25Å; A875-F913 HydrophobicContact CB-CE1 4.41Å; A875-F913 HydrophobicContact CB-CG 3.89Å
876	D	85.1	Confident	83.9	Confident	49 Å²	49	73.5 Å²	73.5	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-67.6	-39	178.1	-67.9	-16.7	0	0	0	110.8	R867 V872 R879 M880	R867-D876 IonicContact CZ-OD1 3.71Å; R867-D876 IonicContact CZ-OD2 3.75Å; R867-D876 IonicContact NE-OD1 2.9Å; R867-D876 PolarHBondContact NE-OD1 3.01Å; R867-D876 IonicContact NE-OD2 3.54Å; R867-D876 PolarHBondContact NE-OD2 3.35Å; R867-D876 IonicContact NH2-OD1 2.68Å; R867-D876 IonicContact NH2-OD2 3.62Å; R867-D876 PolarHBondContact NH2-OD2 3.36Å; V872-D876 WeakPolarHBondContact CG1-OD2 3.48Å; V872-D876 WeakPolarHBondContact O-CB 3.44Å; V872-D876 VanDerWaalsContact O-CG 3.28Å; V872-D876 PolarHBondContact O-N 3.33Å; D876-R879 WeakPolarHBondContact O-CB 3.38Å; D876-R879 PolarHBondContact O-N 3.16Å; D876-M880 WeakPolarHBondContact O-CG 3.48Å; D876-M880 PolarHBondContact O-N 3.5Å
877	N	88.1	Confident	84.1	Confident	97 Å²	97	68.5 Å²	68.5	52%	0.519	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-45.1	173.4	-77.6	-17.7	0	0	0	112.8	V873 H874 R879 M880	V873-N877 WeakPolarHBondContact O-CB 3.36Å; V873-N877 PolarHBondContact O-N 3.13Å; V873-N877 PolarHBondContact O-ND2 3.36Å; H874-N877 PolarHBondContact O-N 3.37Å; N877-R879 PolarHBondContact O-N 3.42Å; N877-M880 PolarHBondContact O-N 2.99Å
878	A	86.9	Confident	84.4	Confident	10 Å²	10	62.6 Å²	62.6	8%	0.083	33%	0.331	C	S	.	.	H	α-helix	trans	-59.8	-39.1	174.8	0	0	0	0	0	110.6	H874 A875 N881 F882 F913	H874-A878 WeakPolarHBondContact O-CB 3.34Å; H874-A878 PolarHBondContact O-N 3.24Å; A875-A878 PolarHBondContact O-N 3.1Å; A878-N881 WeakPolarHBondContact O-CB 3.39Å; A878-N881 PolarHBondContact O-N 3.25Å; A878-F882 WeakPolarHBondContact O-CD2 3.48Å; A878-F882 VanDerWaalsContact O-CE2 3.26Å; A878-F882 WeakPolarHBondContact O-CE2 3.42Å; A878-F913 HydrophobicContact CB-CD2 4.01Å
879	R	85.1	Confident	84.9	Confident	55 Å²	55	61.6 Å²	61.6	21%	0.208	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-40	177.6	-167.8	171.9	-174.2	-153.5	-9.3	113.2	F865 A875 D876 N877 N881 F882 N984	F865-R879 HydrophobicContact CD1-CG 4.43Å; F865-R879 HydrophobicContact CE1-CG 4.3Å; A875-R879 WeakPolarHBondContact O-CB 3.49Å; A875-R879 PolarHBondContact O-N 3.37Å; D876-R879 WeakPolarHBondContact O-CB 3.38Å; D876-R879 PolarHBondContact O-N 3.16Å; N877-R879 PolarHBondContact O-N 3.42Å; R879-N881 PolarHBondContact O-N 3.17Å; R879-F882 PolarHBondContact O-N 3.41Å; R879-N984 PolarHBondContact NH1-O 2.97Å; R879-N984 PolarHBondContact NH2-O 3.43Å
880	M	85.1	Confident	85.6	Confident	122 Å²	122	56.5 Å²	56.5	60%	0.601	30%	0.303	S	S	*	.	H	α-helix	trans	-58.7	-30.1	178	-72	-61.9	165.3	0	0	112.6	D876 N877 F882 V883	D876-M880 WeakPolarHBondContact O-CG 3.48Å; D876-M880 PolarHBondContact O-N 3.5Å; N877-M880 PolarHBondContact O-N 2.99Å; M880-F882 PolarHBondContact O-N 3.06Å; M880-V883 PolarHBondContact O-N 3.06Å; M880-V883 HydrophobicContact SD-CG2 4.04Å
881	N	86.9	Confident	86.1	Confident	117 Å²	117	49 Å²	49	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.5	175.5	-62.4	-22.3	0	0	0	113.6	A878 R879	A878-N881 WeakPolarHBondContact O-CB 3.39Å; A878-N881 PolarHBondContact O-N 3.25Å; R879-N881 PolarHBondContact O-N 3.17Å
882	F	87.4	Confident	86.4	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-9.4	-179.7	-59.3	-70.7	0	0	0	113.6	A878 R879 M880 V884 V891 N894 V895 W908 N912 I914	A878-F882 WeakPolarHBondContact O-CD2 3.48Å; A878-F882 VanDerWaalsContact O-CE2 3.26Å; A878-F882 WeakPolarHBondContact O-CE2 3.42Å; R879-F882 PolarHBondContact O-N 3.41Å; M880-F882 PolarHBondContact O-N 3.06Å; F882-V884 PolarHBondContact O-N 3.28Å; F882-V891 HydrophobicContact CB-CG1 4.12Å; F882-N894 PolarHBondContact O-ND2 2.93Å; F882-V895 HydrophobicContact CB-CG2 3.73Å; F882-V895 HydrophobicContact CD1-CB 4.5Å; F882-V895 HydrophobicContact CD1-CG2 3.69Å; F882-V895 HydrophobicContact CD2-CG2 4.18Å; F882-V895 HydrophobicContact CE1-CG2 4.32Å; F882-V895 HydrophobicContact CG-CG2 3.6Å; F882-W908 AromaticContact CE1-CH2 3.82Å; F882-W908 HydrophobicContact CE1-CH2 3.82Å; F882-W908 AromaticContact CE1-CZ2 3.71Å; F882-W908 HydrophobicContact CE1-CZ2 3.71Å; F882-W908 AromaticContact CZ-CH2 3.9Å; F882-W908 HydrophobicContact CZ-CH2 3.9Å; F882-W908 AromaticContact CZ-CZ2 3.81Å; F882-W908 HydrophobicContact CZ-CZ2 3.81Å; F882-N912 HydrophobicContact CE2-CB 4.02Å; F882-N912 HydrophobicContact CZ-CB 3.85Å; F882-I914 HydrophobicContact CE2-CD1 4.15Å; F882-I914 HydrophobicContact CZ-CD1 3.97Å
883	V	86.1	Confident	86.7	Confident	60 Å²	60	44 Å²	44	36%	0.364	24%	0.24	S	C	.	.			trans	-65.9	119.9	-176.1	175.5	0	0	0	0	109.7	M880	M880-V883 PolarHBondContact O-N 3.06Å; M880-V883 HydrophobicContact SD-CG2 4.04Å
884	V	83.5	Confident	86.9	Confident	34 Å²	34	41.2 Å²	41.2	21%	0.206	22%	0.221	C	C	.	.			trans	-111.1	131.8	174.6	-178.2	0	0	0	0	108.6	F882 G886 L890 N894	F882-V884 PolarHBondContact O-N 3.28Å; V884-G886 PolarHBondContact O-N 3.3Å; V884-L890 HydrophobicContact CB-CB 4.21Å; V884-L890 HydrophobicContact CG1-CB 4.26Å; V884-L890 HydrophobicContact CG1-CD1 4.47Å; V884-N894 HydrophobicContact CG2-CB 3.86Å
885	P	80.4	Confident	87.1	Confident	97 Å²	97	35.4 Å²	35.4	63%	0.63	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	127.6	173.5	-23.7	33.4	0	0	0	111.2
886	G	75.7	Confident	87.4	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	124.3	-20.8	178	0	0	0	0	0	116.4	V884 I1012 E1013	V884-G886 PolarHBondContact O-N 3.3Å; G886-I1012 VanDerWaalsContact O-CG1 3.32Å; G886-I1012 WeakPolarHBondContact O-CG1 3.42Å; G886-E1013 PolarHBondContact O-N 3.22Å
887	G	86.3	Confident	87.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	143.3	172.6	168.7	0	0	0	0	0	116.2	H889 L890 V891 V1011	G887-H889 VanDerWaalsContact C-N 3.29Å; G887-H889 PolarHBondContact O-N 3.08Å; G887-L890 PolarHBondContact O-N 3.3Å; G887-V891 PolarHBondContact O-N 3.29Å; G887-V1011 CarbonylContact C-O 3.52Å; G887-V1011 VanDerWaalsContact CA-O 3.28Å; G887-V1011 WeakPolarHBondContact CA-O 3.31Å
888	D	88.5	Confident	87.9	Confident	10 Å²	10	33.8 Å²	33.8	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-32.2	-176.2	-68.5	-40.6	0	0	0	112.7	L890 V891 L892 S985 S986 Q1010 V1011	D888-L890 VanDerWaalsContact C-N 3.27Å; D888-L890 PolarHBondContact O-N 3.48Å; D888-V891 WeakPolarHBondContact O-CB 3.32Å; D888-V891 PolarHBondContact O-N 3.04Å; D888-V891 VanDerWaalsContact O-N 3.13Å; D888-L892 WeakPolarHBondContact O-CG 3.45Å; D888-L892 PolarHBondContact O-N 2.93Å; D888-S985 VanDerWaalsContact CG-OG 3.25Å; D888-S985 WeakPolarHBondContact OD1-CA 3.33Å; D888-S985 PolarHBondContact OD1-OG 3.22Å; D888-S985 VanDerWaalsContact OD2-CB 3.31Å; D888-S985 WeakPolarHBondContact OD2-CB 3.23Å; D888-S985 PolarHBondContact OD2-OG 2.72Å; D888-S986 PolarHBondContact OD1-N 3.44Å; D888-S986 PolarHBondContact OD1-OG 3.24Å; D888-Q1010 HydrophobicContact CB-CB 4.41Å; D888-Q1010 VanDerWaalsContact OD2-CA 3.31Å; D888-Q1010 WeakPolarHBondContact OD2-CA 3.46Å; D888-V1011 PolarHBondContact N-O 3.01Å; D888-V1011 PolarHBondContact OD2-N 3.43Å
889	H	90.5	Very high	88.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-38.5	178.1	-68.2	79.3	0	0	0	111.6	I854 G887 L892 L893 Q1010 I1012	I854-H889 HydrophobicContact CG2-CB 4.22Å; G887-H889 VanDerWaalsContact C-N 3.29Å; G887-H889 PolarHBondContact O-N 3.08Å; H889-L892 PolarHBondContact O-N 3.1Å; H889-L893 PolarHBondContact O-N 3.43Å; H889-Q1010 PolarHBondContact CE1-O 3.42Å; H889-I1012 HydrophobicContact CB-CD1 4.06Å
890	L	90.8	Very high	88.5	Confident	5 Å²	5	33.4 Å²	33.4	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-73.3	-31.9	176.4	-59.5	177.1	0	0	0	111.6	V884 G887 D888 L892 L893 N894 N947 I950	V884-L890 HydrophobicContact CB-CB 4.21Å; V884-L890 HydrophobicContact CG1-CB 4.26Å; V884-L890 HydrophobicContact CG1-CD1 4.47Å; G887-L890 PolarHBondContact O-N 3.3Å; D888-L890 VanDerWaalsContact C-N 3.27Å; D888-L890 PolarHBondContact O-N 3.48Å; L890-L892 VanDerWaalsContact C-N 3.35Å; L890-L893 WeakPolarHBondContact O-CB 3.28Å; L890-L893 PolarHBondContact O-N 3.49Å; L890-N894 WeakPolarHBondContact O-CB 3.41Å; L890-N894 PolarHBondContact O-N 2.92Å; L890-N947 HydrophobicContact CD1-CB 4.27Å; L890-I950 HydrophobicContact CD2-CD1 4.23Å; L890-I950 HydrophobicContact CD2-CG2 4.12Å
891	V	90.6	Very high	88.8	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-44.4	172.4	178.3	0	0	0	0	110.6	F865 F882 G887 D888 L893 N894 V895	F865-V891 HydrophobicContact CZ-CG1 4.27Å; F882-V891 HydrophobicContact CB-CG1 4.12Å; G887-V891 PolarHBondContact O-N 3.29Å; D888-V891 WeakPolarHBondContact O-CB 3.32Å; D888-V891 PolarHBondContact O-N 3.04Å; D888-V891 VanDerWaalsContact O-N 3.13Å; V891-L893 VanDerWaalsContact C-N 3.31Å; V891-L893 PolarHBondContact O-N 3.32Å; V891-N894 PolarHBondContact O-N 3Å; V891-V895 HydrophobicContact CG1-CG2 4.41Å; V891-V895 VanDerWaalsContact O-CG2 3.3Å; V891-V895 WeakPolarHBondContact O-CG2 3.38Å; V891-V895 PolarHBondContact O-N 3.33Å
892	L	91.1	Very high	89	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.047	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-40.2	176.8	-66.8	176.3	0	0	0	112.1	M857 L858 I864 F865 D888 H889 L890 Y896	M857-L892 HydrophobicContact CB-CB 3.97Å; M857-L892 HydrophobicContact CB-CD1 4.25Å; M857-L892 HydrophobicContact CB-CD2 4.49Å; M857-L892 HydrophobicContact CB-CG 4.47Å; M857-L892 HydrophobicContact CE-CB 4.48Å; M857-L892 HydrophobicContact CE-CD2 4.26Å; M857-L892 WeakPolarHBondContact CE-O 3.41Å; M857-L892 HydrophobicContact CG-CB 4.41Å; L858-L892 HydrophobicContact CD2-CD1 3.78Å; L858-L892 HydrophobicContact CG-CD1 4.31Å; I864-L892 HydrophobicContact CD1-CD2 3.88Å; F865-L892 HydrophobicContact CE2-CD2 4.38Å; D888-L892 WeakPolarHBondContact O-CG 3.45Å; D888-L892 PolarHBondContact O-N 2.93Å; H889-L892 PolarHBondContact O-N 3.1Å; L890-L892 VanDerWaalsContact C-N 3.35Å; L892-Y896 PolarHBondContact O-N 3.2Å
893	L	91.4	Very high	89.1	Confident	25 Å²	25	33.8 Å²	33.8	13%	0.131	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-49.6	174	-179	64.3	0	0	0	111.2	E850 T853 I854 H889 L890 V891 V895 Y896 T897 I950	E850-L893 HydrophobicContact CB-CD1 4.19Å; E850-L893 HydrophobicContact CB-CD2 3.93Å; E850-L893 HydrophobicContact CG-CD1 4.47Å; E850-L893 HydrophobicContact CG-CD2 4.05Å; T853-L893 HydrophobicContact CG2-CD1 3.82Å; I854-L893 HydrophobicContact CD1-CB 4.42Å; I854-L893 HydrophobicContact CG1-CB 4.05Å; H889-L893 PolarHBondContact O-N 3.43Å; L890-L893 WeakPolarHBondContact O-CB 3.28Å; L890-L893 PolarHBondContact O-N 3.49Å; V891-L893 VanDerWaalsContact C-N 3.31Å; V891-L893 PolarHBondContact O-N 3.32Å; L893-V895 PolarHBondContact O-N 3.25Å; L893-Y896 PolarHBondContact O-N 2.75Å; L893-T897 PolarHBondContact O-N 3.44Å; L893-T897 PolarHBondContact O-OG1 3.41Å; L893-T897 VanDerWaalsContact O-OG1 3.06Å; L893-I950 HydrophobicContact CD2-CD1 4.07Å
894	N	91.5	Very high	89.3	Confident	40 Å²	40	34.1 Å²	34.1	21%	0.214	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-44.1	-179.7	-173	26.4	0	0	0	112.2	F882 V884 L890 V891 Y896 T897 Q898	F882-N894 PolarHBondContact O-ND2 2.93Å; V884-N894 HydrophobicContact CG2-CB 3.86Å; L890-N894 WeakPolarHBondContact O-CB 3.41Å; L890-N894 PolarHBondContact O-N 2.92Å; V891-N894 PolarHBondContact O-N 3Å; N894-Y896 VanDerWaalsContact C-N 3.32Å; N894-Y896 PolarHBondContact O-N 2.96Å; N894-T897 PolarHBondContact O-N 3.06Å; N894-Q898 PolarHBondContact ND2-NE2 3.46Å; N894-Q898 WeakPolarHBondContact O-CG 3.3Å; N894-Q898 PolarHBondContact O-N 2.68Å; N894-Q898 PolarHBondContact OD1-NE2 2.83Å
895	V	92	Very high	89.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-43.6	176.3	170.7	0	0	0	0	111.4	M857 F865 F882 V891 L893 W899 I914 M919	M857-V895 HydrophobicContact CE-CB 4.42Å; M857-V895 HydrophobicContact CE-CG1 4.2Å; F865-V895 HydrophobicContact CE1-CG2 4.05Å; F865-V895 HydrophobicContact CZ-CG2 4Å; F882-V895 HydrophobicContact CB-CG2 3.73Å; F882-V895 HydrophobicContact CD1-CB 4.5Å; F882-V895 HydrophobicContact CD1-CG2 3.69Å; F882-V895 HydrophobicContact CD2-CG2 4.18Å; F882-V895 HydrophobicContact CE1-CG2 4.32Å; F882-V895 HydrophobicContact CG-CG2 3.6Å; V891-V895 HydrophobicContact CG1-CG2 4.41Å; V891-V895 VanDerWaalsContact O-CG2 3.3Å; V891-V895 WeakPolarHBondContact O-CG2 3.38Å; V891-V895 PolarHBondContact O-N 3.33Å; L893-V895 PolarHBondContact O-N 3.25Å; V895-W899 WeakPolarHBondContact O-CB 3.43Å; V895-W899 PolarHBondContact O-N 2.67Å; V895-W899 VanDerWaalsContact O-N 3.16Å; V895-I914 HydrophobicContact CG1-CD1 3.69Å; V895-I914 HydrophobicContact CG1-CG1 4.49Å; V895-M919 HydrophobicContact CG1-CE 4.2Å; V895-M919 HydrophobicContact CG1-SD 4.32Å
896	Y	91.8	Very high	90.1	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	20%	0.196	C	C	.	.	H	α-helix	trans	-67.3	-45.5	178.8	-171.1	-90.1	0	0	0	111.8	T853 M857 L892 L893 N894 Q898 W899 V900 M919 R923 R926	T853-Y896 HydrophobicContact CG2-CD1 3.27Å; T853-Y896 HydrophobicContact CG2-CD2 4.29Å; T853-Y896 HydrophobicContact CG2-CE1 3.93Å; T853-Y896 HydrophobicContact CG2-CG 3.48Å; T853-Y896 VanDerWaalsContact CG2-CG 3.48Å; M857-Y896 HydrophobicContact CG-CD2 4.42Å; M857-Y896 HydrophobicContact SD-CD2 3.9Å; L892-Y896 PolarHBondContact O-N 3.2Å; L893-Y896 PolarHBondContact O-N 2.75Å; N894-Y896 VanDerWaalsContact C-N 3.32Å; N894-Y896 PolarHBondContact O-N 2.96Å; Y896-Q898 PolarHBondContact O-N 2.95Å; Y896-W899 HydrophobicContact CD2-CE3 4.37Å; Y896-W899 HydrophobicContact CE2-CE3 4.22Å; Y896-W899 HydrophobicContact CE2-CZ3 4.19Å; Y896-W899 WeakPolarHBondContact O-CB 3.4Å; Y896-W899 PolarHBondContact O-N 3.39Å; Y896-V900 HydrophobicContact CD1-CG2 3.78Å; Y896-V900 HydrophobicContact CE1-CG2 3.45Å; Y896-V900 VanDerWaalsContact CE1-CG2 3.45Å; Y896-V900 WeakPolarHBondContact O-CG2 3.29Å; Y896-V900 PolarHBondContact O-N 2.88Å; Y896-M919 HydrophobicContact CD2-CE 3.83Å; Y896-M919 HydrophobicContact CG-CE 4.46Å; Y896-R923 HydrophobicContact CE2-CB 4.38Å; Y896-R926 WeakPolarHBondContact OH-CD 3.36Å
897	T	91.6	Very high	90.8	Very high	58 Å²	58	39.9 Å²	39.9	36%	0.356	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-46.6	179.3	-55.5	0	0	0	0	111.8	L893 N894 W899 V900 E901	L893-T897 PolarHBondContact O-N 3.44Å; L893-T897 PolarHBondContact O-OG1 3.41Å; L893-T897 VanDerWaalsContact O-OG1 3.06Å; N894-T897 PolarHBondContact O-N 3.06Å; T897-W899 VanDerWaalsContact C-N 3.28Å; T897-W899 PolarHBondContact O-N 2.79Å; T897-V900 WeakPolarHBondContact O-CB 3.39Å; T897-V900 PolarHBondContact O-N 3.49Å; T897-V900 VanDerWaalsContact O-N 3.15Å; T897-E901 WeakPolarHBondContact O-CG 3.44Å; T897-E901 PolarHBondContact O-N 3.25Å
898	Q	92	Very high	91	Very high	55 Å²	55	41.9 Å²	41.9	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-34.9	177.1	-68.8	-175.5	32.5	0	0	112.4	N894 Y896 E901 S902 W908	N894-Q898 PolarHBondContact ND2-NE2 3.46Å; N894-Q898 WeakPolarHBondContact O-CG 3.3Å; N894-Q898 PolarHBondContact O-N 2.68Å; N894-Q898 PolarHBondContact OD1-NE2 2.83Å; Y896-Q898 PolarHBondContact O-N 2.95Å; Q898-E901 PolarHBondContact O-N 2.91Å; Q898-S902 WeakPolarHBondContact O-CB 3.43Å; Q898-S902 PolarHBondContact O-N 3.47Å; Q898-W908 HydrophobicContact CB-CH2 4.05Å; Q898-W908 HydrophobicContact CB-CZ2 3.6Å
899	W	92.6	Very high	91	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-39.8	174.8	-175.5	51.7	0	0	0	112.3	V895 Y896 T897 S902 Y904 S905 W908 C909 F916 M919 R923	V895-W899 WeakPolarHBondContact O-CB 3.43Å; V895-W899 PolarHBondContact O-N 2.67Å; V895-W899 VanDerWaalsContact O-N 3.16Å; Y896-W899 HydrophobicContact CD2-CE3 4.37Å; Y896-W899 HydrophobicContact CE2-CE3 4.22Å; Y896-W899 HydrophobicContact CE2-CZ3 4.19Å; Y896-W899 WeakPolarHBondContact O-CB 3.4Å; Y896-W899 PolarHBondContact O-N 3.39Å; T897-W899 VanDerWaalsContact C-N 3.28Å; T897-W899 PolarHBondContact O-N 2.79Å; W899-S902 PolarHBondContact O-N 3.39Å; W899-S902 PolarHBondContact O-OG 2.94Å; W899-Y904 AromaticContact CD2-CD1 3.94Å; W899-Y904 HydrophobicContact CD2-CD1 3.94Å; W899-Y904 AromaticContact CE2-CD1 3.99Å; W899-Y904 AromaticContact CE3-CD1 3.67Å; W899-Y904 HydrophobicContact CE3-CD1 3.67Å; W899-Y904 HydrophobicContact CE3-CE1 4.08Å; W899-Y904 AromaticContact CH2-CD1 3.58Å; W899-Y904 HydrophobicContact CH2-CD1 3.58Å; W899-Y904 HydrophobicContact CH2-CE1 4.36Å; W899-Y904 HydrophobicContact CH2-CG 4.46Å; W899-Y904 AromaticContact CZ2-CD1 3.83Å; W899-Y904 HydrophobicContact CZ2-CD1 3.83Å; W899-Y904 HydrophobicContact CZ2-CG 4.39Å; W899-Y904 AromaticContact CZ3-CD1 3.5Å; W899-Y904 HydrophobicContact CZ3-CD1 3.5Å; W899-Y904 VanDerWaalsContact CZ3-CD1 3.5Å; W899-Y904 AromaticContact CZ3-CE1 3.9Å; W899-Y904 HydrophobicContact CZ3-CE1 3.9Å; W899-Y904 PolarHBondContact O-N 3.41Å; W899-Y904 VanDerWaalsContact O-N 3.1Å; W899-S905 PolarHBondContact NE1-O 3.45Å; W899-W908 HydrophobicContact CB-CE3 4.11Å; W899-W908 HydrophobicContact CB-CH2 4.04Å; W899-W908 HydrophobicContact CB-CZ3 3.58Å; W899-W908 AromaticContact CD1-CE3 3.55Å; W899-W908 AromaticContact CD1-CZ3 3.82Å; W899-W908 HydrophobicContact CG-CE3 4.18Å; W899-W908 AromaticContact CG-CZ3 4Å; W899-W908 HydrophobicContact CG-CZ3 4Å; W899-C909 VanDerWaalsContact CD1-SG 3.51Å; W899-C909 PolarHBondContact NE1-SG 3.29Å; W899-F916 AromaticContact CZ2-CD2 3.96Å; W899-F916 HydrophobicContact CZ2-CD2 3.96Å; W899-F916 AromaticContact CZ2-CE2 3.72Å; W899-F916 HydrophobicContact CZ2-CE2 3.72Å; W899-M919 HydrophobicContact CB-CE 3.92Å; W899-M919 HydrophobicContact CD2-CB 4.01Å; W899-M919 HydrophobicContact CD2-CE 3.89Å; W899-M919 HydrophobicContact CD2-CG 4.47Å; W899-M919 HydrophobicContact CE3-CB 3.87Å; W899-M919 HydrophobicContact CE3-CE 3.57Å; W899-M919 HydrophobicContact CG-CE 4.07Å; W899-M919 HydrophobicContact CH2-CB 3.71Å; W899-M919 HydrophobicContact CZ2-CB 3.87Å; W899-M919 HydrophobicContact CZ3-CB 3.71Å; W899-M919 HydrophobicContact CZ3-CE 4.33Å; W899-M919 WeakPolarHBondContact CZ3-O 3.38Å; W899-R923 HydrophobicContact CZ3-CB 4.2Å
900	V	92.1	Very high	90.8	Very high	53 Å²	53	49.9 Å²	49.9	32%	0.321	26%	0.262	S	S	.	.	H	α-helix	trans	-62.7	-45.1	174.2	173.9	0	0	0	0	110.8	Y896 T897 S902 G903 Y904	Y896-V900 HydrophobicContact CD1-CG2 3.78Å; Y896-V900 HydrophobicContact CE1-CG2 3.45Å; Y896-V900 VanDerWaalsContact CE1-CG2 3.45Å; Y896-V900 WeakPolarHBondContact O-CG2 3.29Å; Y896-V900 PolarHBondContact O-N 2.88Å; T897-V900 WeakPolarHBondContact O-CB 3.39Å; T897-V900 PolarHBondContact O-N 3.49Å; T897-V900 VanDerWaalsContact O-N 3.15Å; V900-S902 VanDerWaalsContact C-N 3.26Å; V900-S902 PolarHBondContact O-N 3.19Å; V900-G903 PolarHBondContact O-N 3.16Å; V900-Y904 HydrophobicContact CB-CE1 4.47Å; V900-Y904 HydrophobicContact CG2-CE1 3.78Å
901	E	92.1	Very high	90.7	Very high	152 Å²	152	55.1 Å²	55.1	71%	0.71	29%	0.286	S	S	*	.	H	α-helix	trans	-61.7	-33.6	176.9	-71.9	175.3	178.7	0	0	112.7	T897 Q898 G903	T897-E901 WeakPolarHBondContact O-CG 3.44Å; T897-E901 PolarHBondContact O-N 3.25Å; Q898-E901 PolarHBondContact O-N 2.91Å; E901-G903 PolarHBondContact O-N 2.92Å
902	S	90.9	Very high	90.6	Very high	41 Å²	41	56.4 Å²	56.4	29%	0.287	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	1.2	174.2	79.9	0	0	0	0	114.3	Q898 W899 V900	Q898-S902 WeakPolarHBondContact O-CB 3.43Å; Q898-S902 PolarHBondContact O-N 3.47Å; W899-S902 PolarHBondContact O-N 3.39Å; W899-S902 PolarHBondContact O-OG 2.94Å; V900-S902 VanDerWaalsContact C-N 3.26Å; V900-S902 PolarHBondContact O-N 3.19Å
903	G	90.5	Very high	90.5	Very high	55 Å²	55	57.7 Å²	57.7	57%	0.567	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	31.6	-177.9	0	0	0	0	0	113.4	V900 E901 S905	V900-G903 PolarHBondContact O-N 3.16Å; E901-G903 PolarHBondContact O-N 2.92Å; G903-S905 VanDerWaalsContact C-N 3.31Å; G903-S905 PolarHBondContact O-N 3.39Å
904	Y	90.6	Very high	90.3	Very high	68 Å²	68	56.9 Å²	56.9	27%	0.267	29%	0.294	S	S	.	.	S	Bend	trans	61.3	34.8	-177.4	-51.9	-77.9	0	0	0	113.9	W899 V900 T906	W899-Y904 AromaticContact CD2-CD1 3.94Å; W899-Y904 HydrophobicContact CD2-CD1 3.94Å; W899-Y904 AromaticContact CE2-CD1 3.99Å; W899-Y904 AromaticContact CE3-CD1 3.67Å; W899-Y904 HydrophobicContact CE3-CD1 3.67Å; W899-Y904 HydrophobicContact CE3-CE1 4.08Å; W899-Y904 AromaticContact CH2-CD1 3.58Å; W899-Y904 HydrophobicContact CH2-CD1 3.58Å; W899-Y904 HydrophobicContact CH2-CE1 4.36Å; W899-Y904 HydrophobicContact CH2-CG 4.46Å; W899-Y904 AromaticContact CZ2-CD1 3.83Å; W899-Y904 HydrophobicContact CZ2-CD1 3.83Å; W899-Y904 HydrophobicContact CZ2-CG 4.39Å; W899-Y904 AromaticContact CZ3-CD1 3.5Å; W899-Y904 HydrophobicContact CZ3-CD1 3.5Å; W899-Y904 VanDerWaalsContact CZ3-CD1 3.5Å; W899-Y904 AromaticContact CZ3-CE1 3.9Å; W899-Y904 HydrophobicContact CZ3-CE1 3.9Å; W899-Y904 PolarHBondContact O-N 3.41Å; W899-Y904 VanDerWaalsContact O-N 3.1Å; V900-Y904 HydrophobicContact CB-CE1 4.47Å; V900-Y904 HydrophobicContact CG2-CE1 3.78Å; Y904-T906 PolarHBondContact O-N 3.3Å
905	S	90.9	Very high	90	Very high	40 Å²	40	56.8 Å²	56.8	28%	0.28	29%	0.292	S	S	.	.			trans	-64.5	132.3	-176	177	0	0	0	0	112.6	W899 G903 Q907 W908	W899-S905 PolarHBondContact NE1-O 3.45Å; G903-S905 VanDerWaalsContact C-N 3.31Å; G903-S905 PolarHBondContact O-N 3.39Å; S905-Q907 PolarHBondContact OG-N 3.19Å; S905-W908 PolarHBondContact OG-N 3.09Å
906	T	88.9	Confident	89.6	Confident	86 Å²	86	60.1 Å²	60.1	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-68.9	-36.4	171.6	48.8	0	0	0	0	111.6	Y904 C909 Y910 F916	Y904-T906 PolarHBondContact O-N 3.3Å; T906-C909 WeakPolarHBondContact O-CB 3.43Å; T906-C909 PolarHBondContact O-N 3.01Å; T906-Y910 PolarHBondContact O-N 3.32Å; T906-Y910 VanDerWaalsContact O-N 3.17Å; T906-F916 HydrophobicContact CG2-CD1 3.99Å; T906-F916 HydrophobicContact CG2-CD2 3.68Å; T906-F916 HydrophobicContact CG2-CE1 3.83Å; T906-F916 HydrophobicContact CG2-CE2 3.47Å; T906-F916 VanDerWaalsContact CG2-CE2 3.47Å; T906-F916 HydrophobicContact CG2-CG 3.93Å; T906-F916 HydrophobicContact CG2-CZ 3.56Å
907	Q	89.4	Confident	89	Confident	127 Å²	127	67.4 Å²	67.4	59%	0.593	33%	0.334	S	S	*	.	H	α-helix	trans	-69.7	-40.7	-177.9	-168.4	172.3	-9.6	0	0	111.2	S905 C909 Y910 E911	S905-Q907 PolarHBondContact OG-N 3.19Å; Q907-C909 VanDerWaalsContact C-N 3.29Å; Q907-C909 PolarHBondContact O-N 2.94Å; Q907-Y910 PolarHBondContact O-N 3.02Å; Q907-Y910 VanDerWaalsContact O-N 3.1Å; Q907-E911 PolarHBondContact NE2-OE1 2.87Å; Q907-E911 WeakPolarHBondContact O-CG 3.37Å; Q907-E911 PolarHBondContact O-N 3.16Å
908	W	91.5	Very high	88.7	Confident	42 Å²	42	65.2 Å²	65.2	16%	0.159	32%	0.321	C	S	.	.	H	α-helix	trans	-59.1	-41	174	-178.7	91.7	0	0	0	111.9	F882 Q898 W899 S905 Y910 N912 I914	F882-W908 AromaticContact CE1-CH2 3.82Å; F882-W908 HydrophobicContact CE1-CH2 3.82Å; F882-W908 AromaticContact CE1-CZ2 3.71Å; F882-W908 HydrophobicContact CE1-CZ2 3.71Å; F882-W908 AromaticContact CZ-CH2 3.9Å; F882-W908 HydrophobicContact CZ-CH2 3.9Å; F882-W908 AromaticContact CZ-CZ2 3.81Å; F882-W908 HydrophobicContact CZ-CZ2 3.81Å; Q898-W908 HydrophobicContact CB-CH2 4.05Å; Q898-W908 HydrophobicContact CB-CZ2 3.6Å; W899-W908 HydrophobicContact CB-CE3 4.11Å; W899-W908 HydrophobicContact CB-CH2 4.04Å; W899-W908 HydrophobicContact CB-CZ3 3.58Å; W899-W908 AromaticContact CD1-CE3 3.55Å; W899-W908 AromaticContact CD1-CZ3 3.82Å; W899-W908 HydrophobicContact CG-CE3 4.18Å; W899-W908 AromaticContact CG-CZ3 4Å; W899-W908 HydrophobicContact CG-CZ3 4Å; S905-W908 PolarHBondContact OG-N 3.09Å; W908-Y910 PolarHBondContact O-N 2.98Å; W908-N912 PolarHBondContact NE1-ND2 3.33Å; W908-N912 WeakPolarHBondContact O-CB 3.23Å; W908-N912 PolarHBondContact O-N 3.47Å; W908-N912 VanDerWaalsContact O-N 3.1Å; W908-N912 PolarHBondContact O-ND2 3.18Å; W908-I914 HydrophobicContact CE3-CD1 4.44Å; W908-I914 HydrophobicContact CH2-CD1 3.65Å; W908-I914 HydrophobicContact CZ3-CD1 3.49Å; W908-I914 VanDerWaalsContact CZ3-CD1 3.49Å
909	C	88.6	Confident	88.5	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-43.8	174.8	-71.4	0	0	0	0	111.6	W899 T906 Q907 N912 F913 I914 F916	W899-C909 VanDerWaalsContact CD1-SG 3.51Å; W899-C909 PolarHBondContact NE1-SG 3.29Å; T906-C909 WeakPolarHBondContact O-CB 3.43Å; T906-C909 PolarHBondContact O-N 3.01Å; Q907-C909 VanDerWaalsContact C-N 3.29Å; Q907-C909 PolarHBondContact O-N 2.94Å; C909-N912 PolarHBondContact O-N 3.4Å; C909-F913 PolarHBondContact O-N 2.9Å; C909-F913 VanDerWaalsContact O-N 3.17Å; C909-I914 CarbonylContact C-O 3.56Å; C909-I914 HydrophobicContact CB-CB 4.31Å; C909-I914 WeakPolarHBondContact CB-O 3.44Å; C909-I914 PolarHBondContact O-N 2.9Å; C909-I914 VanDerWaalsContact O-O 3.12Å; C909-F916 HydrophobicContact CB-CB 4.13Å
910	Y	86.7	Confident	88.2	Confident	178 Å²	178	69.5 Å²	69.5	70%	0.698	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-43.5	-179.6	-173.2	-101.1	0	0	0	112.6	T906 Q907 W908 N912 F913	T906-Y910 PolarHBondContact O-N 3.32Å; T906-Y910 VanDerWaalsContact O-N 3.17Å; Q907-Y910 PolarHBondContact O-N 3.02Å; Q907-Y910 VanDerWaalsContact O-N 3.1Å; W908-Y910 PolarHBondContact O-N 2.98Å; Y910-N912 VanDerWaalsContact C-N 3.31Å; Y910-N912 PolarHBondContact O-N 2.74Å; Y910-F913 PolarHBondContact O-N 3.01Å
911	E	88.5	Confident	87.8	Confident	114 Å²	114	71.9 Å²	71.9	53%	0.533	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-35.7	178.3	-71.4	172.8	-173.5	0	0	112.4	Q907	Q907-E911 PolarHBondContact NE2-OE1 2.87Å; Q907-E911 WeakPolarHBondContact O-CG 3.37Å; Q907-E911 PolarHBondContact O-N 3.16Å
912	N	88.8	Confident	87.6	Confident	30 Å²	30	64.6 Å²	64.6	16%	0.16	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	10.3	179.5	-68.9	-65	0	0	0	114.2	F882 W908 C909 Y910 I914	F882-N912 HydrophobicContact CE2-CB 4.02Å; F882-N912 HydrophobicContact CZ-CB 3.85Å; W908-N912 PolarHBondContact NE1-ND2 3.33Å; W908-N912 WeakPolarHBondContact O-CB 3.23Å; W908-N912 PolarHBondContact O-N 3.47Å; W908-N912 VanDerWaalsContact O-N 3.1Å; W908-N912 PolarHBondContact O-ND2 3.18Å; C909-N912 PolarHBondContact O-N 3.4Å; Y910-N912 VanDerWaalsContact C-N 3.31Å; Y910-N912 PolarHBondContact O-N 2.74Å; N912-I914 VanDerWaalsContact C-N 3.25Å; N912-I914 HydrophobicContact CB-CD1 3.89Å; N912-I914 HydrophobicContact CB-CG1 4.32Å; N912-I914 PolarHBondContact O-N 2.86Å
913	F	87.8	Confident	87.6	Confident	36 Å²	36	66.7 Å²	66.7	16%	0.158	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	37.4	-178.6	-62.7	-94	0	0	0	113.6	Y866 P868 K871 H874 A875 A878 C909 Y910	Y866-F913 WeakPolarHBondContact CB-O 3.28Å; Y866-F913 PolarHBondContact N-O 3.45Å; Y866-F913 WeakPolarHBondContact O-CB 3.48Å; P868-F913 HydrophobicContact CG-CD1 4.12Å; P868-F913 HydrophobicContact CG-CE1 4.03Å; K871-F913 HydrophobicContact CB-CE1 3.97Å; K871-F913 HydrophobicContact CB-CZ 4.16Å; K871-F913 HydrophobicContact CD-CE1 4.08Å; K871-F913 HydrophobicContact CD-CZ 4.24Å; H874-F913 HydrophobicContact CB-CE2 3.75Å; H874-F913 HydrophobicContact CB-CZ 3.64Å; A875-F913 HydrophobicContact CB-CB 4.2Å; A875-F913 HydrophobicContact CB-CD1 3.97Å; A875-F913 HydrophobicContact CB-CD2 4.25Å; A875-F913 HydrophobicContact CB-CE1 4.41Å; A875-F913 HydrophobicContact CB-CG 3.89Å; A878-F913 HydrophobicContact CB-CD2 4.01Å; C909-F913 PolarHBondContact O-N 2.9Å; C909-F913 VanDerWaalsContact O-N 3.17Å; Y910-F913 PolarHBondContact O-N 3.01Å
914	I	87.9	Confident	87.4	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.041	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-105.4	137.9	176.8	-65.5	161.9	0	0	0	109.7	I864 F882 V895 W908 C909 N912 F916 M919	I864-I914 HydrophobicContact CG2-CG2 4.11Å; I864-I914 CarbonylContact O-C 3.5Å; I864-I914 VanDerWaalsContact O-CA 3.28Å; I864-I914 WeakPolarHBondContact O-CA 3.22Å; F882-I914 HydrophobicContact CE2-CD1 4.15Å; F882-I914 HydrophobicContact CZ-CD1 3.97Å; V895-I914 HydrophobicContact CG1-CD1 3.69Å; V895-I914 HydrophobicContact CG1-CG1 4.49Å; W908-I914 HydrophobicContact CE3-CD1 4.44Å; W908-I914 HydrophobicContact CH2-CD1 3.65Å; W908-I914 HydrophobicContact CZ3-CD1 3.49Å; W908-I914 VanDerWaalsContact CZ3-CD1 3.49Å; C909-I914 CarbonylContact C-O 3.56Å; C909-I914 HydrophobicContact CB-CB 4.31Å; C909-I914 WeakPolarHBondContact CB-O 3.44Å; C909-I914 PolarHBondContact O-N 2.9Å; C909-I914 VanDerWaalsContact O-O 3.12Å; N912-I914 VanDerWaalsContact C-N 3.25Å; N912-I914 HydrophobicContact CB-CD1 3.89Å; N912-I914 HydrophobicContact CB-CG1 4.32Å; N912-I914 PolarHBondContact O-N 2.86Å; I914-F916 PolarHBondContact O-N 3.12Å; I914-M919 HydrophobicContact CG2-CG 3.42Å; I914-M919 VanDerWaalsContact CG2-CG 3.42Å; I914-M919 HydrophobicContact CG2-SD 3.94Å
915	Q	83.9	Confident	87.3	Confident	39 Å²	39	64 Å²	64	18%	0.182	28%	0.284	C	S	.	.			trans	-78.6	109.9	175.6	-62.7	-170.6	6.1	0	0	111.4	S863 I864 R917 S918 M919	S863-Q915 VanDerWaalsContact O-CB 3.28Å; S863-Q915 WeakPolarHBondContact O-CB 3.17Å; S863-Q915 WeakPolarHBondContact O-CG 3.42Å; S863-Q915 PolarHBondContact O-NE2 2.82Å; S863-Q915 PolarHBondContact O-OE1 2.78Å; I864-Q915 PolarHBondContact O-N 3.02Å; Q915-R917 VanDerWaalsContact C-N 3.29Å; Q915-R917 PolarHBondContact O-N 3.32Å; Q915-S918 PolarHBondContact O-N 3.4Å; Q915-S918 VanDerWaalsContact O-N 3.14Å; Q915-M919 PolarHBondContact O-N 3.24Å; Q915-M919 VanDerWaalsContact O-N 3.16Å
916	F	84.7	Confident	87.3	Confident	70 Å²	70	63.8 Å²	63.8	31%	0.307	28%	0.277	S	S	.	.	H	α-helix	trans	-55.4	-40	179.7	176.2	-101.8	0	0	0	113.4	W899 T906 C909 I914 S918 M919 R920	W899-F916 AromaticContact CZ2-CD2 3.96Å; W899-F916 HydrophobicContact CZ2-CD2 3.96Å; W899-F916 AromaticContact CZ2-CE2 3.72Å; W899-F916 HydrophobicContact CZ2-CE2 3.72Å; T906-F916 HydrophobicContact CG2-CD1 3.99Å; T906-F916 HydrophobicContact CG2-CD2 3.68Å; T906-F916 HydrophobicContact CG2-CE1 3.83Å; T906-F916 HydrophobicContact CG2-CE2 3.47Å; T906-F916 VanDerWaalsContact CG2-CE2 3.47Å; T906-F916 HydrophobicContact CG2-CG 3.93Å; T906-F916 HydrophobicContact CG2-CZ 3.56Å; C909-F916 HydrophobicContact CB-CB 4.13Å; I914-F916 PolarHBondContact O-N 3.12Å; F916-S918 VanDerWaalsContact C-N 3.32Å; F916-S918 PolarHBondContact O-N 3.09Å; F916-M919 PolarHBondContact O-N 2.9Å; F916-R920 WeakPolarHBondContact O-CB 3.25Å; F916-R920 PolarHBondContact O-N 2.88Å
917	R	79.6	Confident	87.3	Confident	158 Å²	158	62.9 Å²	62.9	60%	0.596	27%	0.269	S	S	*	.	H	α-helix	trans	-63	-39.1	-179.8	-172.2	178.1	179.1	128.8	-7.3	112.1	S664 Q915 R921	S664-R917 PolarHBondContact OG-NH1 2.81Å; S664-R917 PolarHBondContact OG-NH2 3.42Å; Q915-R917 VanDerWaalsContact C-N 3.29Å; Q915-R917 PolarHBondContact O-N 3.32Å; R917-R921 PolarHBondContact O-N 2.76Å
918	S	84.8	Confident	87.1	Confident	12 Å²	12	60.5 Å²	60.5	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-41.7	176.8	-61.6	0	0	0	0	111	S863 Q915 F916 R921 A922	S863-S918 PolarHBondContact OG-OG 3.49Å; Q915-S918 PolarHBondContact O-N 3.4Å; Q915-S918 VanDerWaalsContact O-N 3.14Å; F916-S918 VanDerWaalsContact C-N 3.32Å; F916-S918 PolarHBondContact O-N 3.09Å; S918-R921 PolarHBondContact O-N 2.85Å; S918-A922 WeakPolarHBondContact O-CB 3.18Å; S918-A922 PolarHBondContact O-N 2.82Å
919	M	88.1	Confident	86.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-43	174.4	-66	-57.8	-67.2	0	0	112.6	M857 I864 V895 Y896 W899 I914 Q915 F916 R921 A922 R923	M857-M919 HydrophobicContact CE-CE 3.99Å; M857-M919 HydrophobicContact CE-SD 3.72Å; M857-M919 HydrophobicContact SD-CE 4.18Å; M857-M919 HydrophobicContact SD-SD 4.01Å; I864-M919 HydrophobicContact CG2-SD 4Å; V895-M919 HydrophobicContact CG1-CE 4.2Å; V895-M919 HydrophobicContact CG1-SD 4.32Å; Y896-M919 HydrophobicContact CD2-CE 3.83Å; Y896-M919 HydrophobicContact CG-CE 4.46Å; W899-M919 HydrophobicContact CB-CE 3.92Å; W899-M919 HydrophobicContact CD2-CB 4.01Å; W899-M919 HydrophobicContact CD2-CE 3.89Å; W899-M919 HydrophobicContact CD2-CG 4.47Å; W899-M919 HydrophobicContact CE3-CB 3.87Å; W899-M919 HydrophobicContact CE3-CE 3.57Å; W899-M919 HydrophobicContact CG-CE 4.07Å; W899-M919 HydrophobicContact CH2-CB 3.71Å; W899-M919 HydrophobicContact CZ2-CB 3.87Å; W899-M919 HydrophobicContact CZ3-CB 3.71Å; W899-M919 HydrophobicContact CZ3-CE 4.33Å; W899-M919 WeakPolarHBondContact CZ3-O 3.38Å; I914-M919 HydrophobicContact CG2-CG 3.42Å; I914-M919 VanDerWaalsContact CG2-CG 3.42Å; I914-M919 HydrophobicContact CG2-SD 3.94Å; Q915-M919 PolarHBondContact O-N 3.24Å; Q915-M919 VanDerWaalsContact O-N 3.16Å; F916-M919 PolarHBondContact O-N 2.9Å; M919-R921 PolarHBondContact O-N 2.9Å; M919-A922 WeakPolarHBondContact O-CB 3.43Å; M919-A922 PolarHBondContact O-N 3.14Å; M919-A922 VanDerWaalsContact O-N 3.16Å; M919-R923 PolarHBondContact O-N 3.28Å
920	R	86.8	Confident	87	Confident	150 Å²	150	61.6 Å²	61.6	57%	0.566	26%	0.264	S	S	*	.	H	α-helix	trans	-59.5	-46.5	174.3	-175.2	178.9	177.8	-178.5	1	111.5	F916 A922 R923 D924	F916-R920 WeakPolarHBondContact O-CB 3.25Å; F916-R920 PolarHBondContact O-N 2.88Å; R920-A922 VanDerWaalsContact C-N 3.31Å; R920-A922 PolarHBondContact O-N 3.02Å; R920-R923 WeakPolarHBondContact O-CB 3.28Å; R920-R923 PolarHBondContact O-N 3.44Å; R920-D924 VanDerWaalsContact O-CG 3.24Å; R920-D924 PolarHBondContact O-N 2.95Å
921	R	83.1	Confident	86.9	Confident	102 Å²	102	54.4 Å²	54.4	39%	0.385	25%	0.245	S	C	.	.	H	α-helix	trans	-61.2	-40.3	174.6	-180	-179.7	-98.6	170.3	-2	111.6	R466 V860 R917 S918 M919 R923 D924 V925	R466-R921 VanDerWaalsContact NH2-NH2 3.17Å; V860-R921 HydrophobicContact CG2-CB 4.26Å; V860-R921 HydrophobicContact CG2-CG 3.88Å; R917-R921 PolarHBondContact O-N 2.76Å; S918-R921 PolarHBondContact O-N 2.85Å; M919-R921 PolarHBondContact O-N 2.9Å; R921-R923 VanDerWaalsContact C-N 3.28Å; R921-R923 PolarHBondContact O-N 2.6Å; R921-D924 PolarHBondContact O-N 3.4Å; R921-V925 HydrophobicContact CG-CG2 4.26Å; R921-V925 WeakPolarHBondContact O-CB 3.45Å; R921-V925 WeakPolarHBondContact O-CG2 3.49Å; R921-V925 PolarHBondContact O-N 3.22Å
922	A	88.6	Confident	86.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-39.6	177.9	0	0	0	0	0	111	A856 M857 V860 S918 M919 R920 V925 R926	A856-A922 WeakPolarHBondContact CB-O 3.35Å; M857-A922 HydrophobicContact SD-CB 3.69Å; V860-A922 HydrophobicContact CG2-CB 3.93Å; S918-A922 WeakPolarHBondContact O-CB 3.18Å; S918-A922 PolarHBondContact O-N 2.82Å; M919-A922 WeakPolarHBondContact O-CB 3.43Å; M919-A922 PolarHBondContact O-N 3.14Å; M919-A922 VanDerWaalsContact O-N 3.16Å; R920-A922 VanDerWaalsContact C-N 3.31Å; R920-A922 PolarHBondContact O-N 3.02Å; A922-V925 PolarHBondContact O-N 2.79Å; A922-R926 WeakPolarHBondContact O-CB 3.43Å; A922-R926 PolarHBondContact O-N 2.78Å
923	R	89.6	Confident	86.5	Confident	84 Å²	84	48.9 Å²	48.9	32%	0.317	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-50.4	171.2	178.2	-178.1	174.8	175.9	-0.5	112.1	Y896 W899 M919 R920 R921 V925 R926 D927	Y896-R923 HydrophobicContact CE2-CB 4.38Å; W899-R923 HydrophobicContact CZ3-CB 4.2Å; M919-R923 PolarHBondContact O-N 3.28Å; R920-R923 WeakPolarHBondContact O-CB 3.28Å; R920-R923 PolarHBondContact O-N 3.44Å; R921-R923 VanDerWaalsContact C-N 3.28Å; R921-R923 PolarHBondContact O-N 2.6Å; R923-V925 PolarHBondContact O-N 2.64Å; R923-R926 WeakPolarHBondContact O-CB 3.38Å; R923-R926 PolarHBondContact O-N 3.14Å; R923-D927 IonicContact NE-OD2 3.81Å; R923-D927 VanDerWaalsContact O-CG 3.31Å; R923-D927 PolarHBondContact O-N 3.29Å
924	D	86.4	Confident	86.2	Confident	65 Å²	65	52.6 Å²	52.6	35%	0.348	24%	0.236	S	C	.	.	H	α-helix	trans	-58.5	-38	179.5	-59	-29.1	0	0	0	111.4	R920 R921 Q928	R920-D924 VanDerWaalsContact O-CG 3.24Å; R920-D924 PolarHBondContact O-N 2.95Å; R921-D924 PolarHBondContact O-N 3.4Å; D924-Q928 VanDerWaalsContact O-CG 3.31Å; D924-Q928 WeakPolarHBondContact O-CG 3.33Å; D924-Q928 PolarHBondContact O-N 2.82Å
925	V	87.9	Confident	85.7	Confident	2 Å²	2	54 Å²	54	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-45.6	174.1	173	0	0	0	0	111.2	F494 A856 R921 A922 R923 Q928 L929	F494-V925 HydrophobicContact CB-CG2 3.98Å; F494-V925 HydrophobicContact CD1-CB 4.38Å; F494-V925 HydrophobicContact CD1-CG1 4.24Å; F494-V925 HydrophobicContact CD1-CG2 3.99Å; F494-V925 HydrophobicContact CD2-CG2 3.61Å; F494-V925 HydrophobicContact CE1-CG1 3.93Å; F494-V925 HydrophobicContact CE1-CG2 4.35Å; F494-V925 HydrophobicContact CE2-CG1 4.4Å; F494-V925 HydrophobicContact CE2-CG2 3.98Å; F494-V925 HydrophobicContact CG-CB 4.46Å; F494-V925 HydrophobicContact CG-CG2 3.61Å; F494-V925 HydrophobicContact CZ-CG1 4.01Å; F494-V925 HydrophobicContact CZ-CG2 4.34Å; A856-V925 HydrophobicContact CB-CB 4.26Å; A856-V925 HydrophobicContact CB-CG1 3.97Å; R921-V925 HydrophobicContact CG-CG2 4.26Å; R921-V925 WeakPolarHBondContact O-CB 3.45Å; R921-V925 WeakPolarHBondContact O-CG2 3.49Å; R921-V925 PolarHBondContact O-N 3.22Å; A922-V925 PolarHBondContact O-N 2.79Å; R923-V925 PolarHBondContact O-N 2.64Å; V925-Q928 PolarHBondContact O-N 3.02Å; V925-L929 HydrophobicContact CG1-CD1 3.82Å; V925-L929 HydrophobicContact CG1-CG 4.22Å; V925-L929 WeakPolarHBondContact O-CB 3.22Å; V925-L929 WeakPolarHBondContact O-CG 3.43Å; V925-L929 PolarHBondContact O-N 2.79Å
926	R	91.1	Very high	85.6	Confident	36 Å²	36	52.2 Å²	52.2	14%	0.136	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-50.5	178.9	-179.1	-177.3	174.2	-90.9	2.6	111	E849 T853 A856 Y896 A922 R923 Q928 L929 E930	E849-R926 IonicContact OE1-NH2 3.18Å; T853-R926 PolarHBondContact OG1-NE 2.82Å; T853-R926 VanDerWaalsContact OG1-NE 3.16Å; A856-R926 HydrophobicContact CB-CB 3.8Å; Y896-R926 WeakPolarHBondContact OH-CD 3.36Å; A922-R926 WeakPolarHBondContact O-CB 3.43Å; A922-R926 PolarHBondContact O-N 2.78Å; R923-R926 WeakPolarHBondContact O-CB 3.38Å; R923-R926 PolarHBondContact O-N 3.14Å; R926-Q928 PolarHBondContact O-N 2.89Å; R926-L929 PolarHBondContact O-N 3.25Å; R926-E930 WeakPolarHBondContact O-CB 3.45Å; R926-E930 PolarHBondContact O-N 3.31Å
927	D	89.2	Confident	85.4	Confident	67 Å²	67	52.5 Å²	52.5	36%	0.358	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-33.9	-178.5	-64.8	-5.7	0	0	0	111	R923 G931	R923-D927 IonicContact NE-OD2 3.81Å; R923-D927 VanDerWaalsContact O-CG 3.31Å; R923-D927 PolarHBondContact O-N 3.29Å; D927-G931 PolarHBondContact O-N 3.28Å; D927-G931 VanDerWaalsContact O-N 3.12Å
928	Q	85.1	Confident	85.5	Confident	76 Å²	76	45.3 Å²	45.3	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-77.4	-40	174.9	-73.5	-176.7	23.2	0	0	114.3	F494 D924 V925 R926 E930 G931 L932	F494-Q928 PolarHBondContact O-NE2 3.15Å; D924-Q928 VanDerWaalsContact O-CG 3.31Å; D924-Q928 WeakPolarHBondContact O-CG 3.33Å; D924-Q928 PolarHBondContact O-N 2.82Å; V925-Q928 PolarHBondContact O-N 3.02Å; R926-Q928 PolarHBondContact O-N 2.89Å; Q928-E930 PolarHBondContact O-N 2.96Å; Q928-G931 PolarHBondContact O-N 3.3Å; Q928-L932 WeakPolarHBondContact O-CG 3.33Å; Q928-L932 PolarHBondContact O-N 3.44Å
929	L	88.4	Confident	85.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-38.1	174	-72.9	175.2	0	0	0	110.4	L829 V831 I839 L852 A855 V925 R926 L932 M933	L829-L929 HydrophobicContact CD2-CD2 4.29Å; V831-L929 HydrophobicContact CG1-CD2 4.22Å; I839-L929 HydrophobicContact CD1-CD1 4.44Å; L852-L929 HydrophobicContact CD2-CB 3.48Å; L852-L929 VanDerWaalsContact CD2-CB 3.48Å; L852-L929 HydrophobicContact CD2-CD1 4.43Å; A855-L929 HydrophobicContact CB-CD1 4.49Å; V925-L929 HydrophobicContact CG1-CD1 3.82Å; V925-L929 HydrophobicContact CG1-CG 4.22Å; V925-L929 WeakPolarHBondContact O-CB 3.22Å; V925-L929 WeakPolarHBondContact O-CG 3.43Å; V925-L929 PolarHBondContact O-N 2.79Å; R926-L929 PolarHBondContact O-N 3.25Å; L929-L932 CarbonylContact O-C 3.58Å; L929-L932 PolarHBondContact O-N 3.17Å; L929-M933 WeakPolarHBondContact O-CG 3.31Å; L929-M933 PolarHBondContact O-N 3.07Å
930	E	89.3	Confident	85.2	Confident	65 Å²	65	54.3 Å²	54.3	30%	0.304	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-49.3	171.7	-174.7	172.5	-161	0	0	111.2	R926 Q928 L932 M933 E934	R926-E930 WeakPolarHBondContact O-CB 3.45Å; R926-E930 PolarHBondContact O-N 3.31Å; Q928-E930 PolarHBondContact O-N 2.96Å; E930-L932 VanDerWaalsContact C-N 3.27Å; E930-L932 PolarHBondContact O-N 3.43Å; E930-M933 PolarHBondContact O-N 3.38Å; E930-M933 VanDerWaalsContact O-N 3.11Å; E930-E934 PolarHBondContact O-N 2.88Å; E930-E934 VanDerWaalsContact O-N 3.08Å
931	G	85.5	Confident	85.2	Confident	28 Å²	28	49.7 Å²	49.7	29%	0.289	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-30.1	174.9	0	0	0	0	0	114.5	D927 Q928 R935	D927-G931 PolarHBondContact O-N 3.28Å; D927-G931 VanDerWaalsContact O-N 3.12Å; Q928-G931 PolarHBondContact O-N 3.3Å; G931-R935 PolarHBondContact O-N 3.22Å
932	L	84.8	Confident	85.2	Confident	26 Å²	26	47.1 Å²	47.1	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-77.3	-34.7	173.2	-70.5	173.9	0	0	0	112.3	L829 P830 Q928 L929 E930 E934 R935 I936	L829-L932 HydrophobicContact CD2-CB 4.07Å; L829-L932 HydrophobicContact CD2-CD1 4.4Å; P830-L932 VanDerWaalsContact CD-CD1 3.44Å; P830-L932 HydrophobicContact CG-CD1 4.06Å; Q928-L932 WeakPolarHBondContact O-CG 3.33Å; Q928-L932 PolarHBondContact O-N 3.44Å; L929-L932 CarbonylContact O-C 3.58Å; L929-L932 PolarHBondContact O-N 3.17Å; E930-L932 VanDerWaalsContact C-N 3.27Å; E930-L932 PolarHBondContact O-N 3.43Å; L932-E934 VanDerWaalsContact C-N 3.32Å; L932-E934 PolarHBondContact O-N 3.1Å; L932-R935 WeakPolarHBondContact O-CA 3.44Å; L932-R935 WeakPolarHBondContact O-CB 3.28Å; L932-R935 PolarHBondContact O-N 2.85Å; L932-R935 VanDerWaalsContact O-N 3.08Å; L932-I936 WeakPolarHBondContact O-CD1 3.41Å; L932-I936 VanDerWaalsContact O-CG1 3.28Å; L932-I936 WeakPolarHBondContact O-CG1 3.46Å; L932-I936 PolarHBondContact O-N 3.27Å
933	M	85	Confident	84.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-37.9	174.8	-76.4	-176.4	79.8	0	0	111.6	I839 L852 L929 E930 R935 I936 E937 V938	I839-M933 HydrophobicContact CG2-CE 3.84Å; I839-M933 HydrophobicContact CG2-CG 4.17Å; I839-M933 HydrophobicContact CG2-SD 3.6Å; I839-M933 VanDerWaalsContact CG2-SD 3.6Å; L852-M933 HydrophobicContact CD1-CE 4.49Å; L852-M933 HydrophobicContact CD1-SD 3.44Å; L852-M933 WeakPolarHBondContact CD1-SD 3.48Å; L852-M933 HydrophobicContact CD2-CG 4.41Å; L852-M933 HydrophobicContact CD2-SD 3.35Å; L852-M933 WeakPolarHBondContact CD2-SD 3.4Å; L852-M933 HydrophobicContact CG-CE 4.49Å; L852-M933 HydrophobicContact CG-SD 3.36Å; L852-M933 WeakPolarHBondContact CG-SD 3.3Å; L929-M933 WeakPolarHBondContact O-CG 3.31Å; L929-M933 PolarHBondContact O-N 3.07Å; E930-M933 PolarHBondContact O-N 3.38Å; E930-M933 VanDerWaalsContact O-N 3.11Å; M933-R935 VanDerWaalsContact C-N 3.27Å; M933-R935 PolarHBondContact O-N 3.08Å; M933-I936 CarbonylContact O-C 3.53Å; M933-I936 PolarHBondContact O-N 3.24Å; M933-E937 PolarHBondContact O-N 3.34Å; M933-V938 HydrophobicContact CB-CB 4.28Å; M933-V938 HydrophobicContact CE-CB 3.68Å; M933-V938 HydrophobicContact CE-CG1 3.25Å; M933-V938 HydrophobicContact CE-CG2 4.48Å; M933-V938 HydrophobicContact CG-CB 4.49Å; M933-V938 PolarHBondContact O-N 3.37Å
934	E	81.4	Confident	83.9	Confident	114 Å²	114	49.8 Å²	49.8	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-58.2	-39.2	169.7	-68.2	-177.1	168.5	0	0	112.5	K193 E930 L932 E937	K193-E934 IonicContact NZ-OE2 2.84Å; K193-E934 PolarHBondContact NZ-OE2 3.18Å; E930-E934 PolarHBondContact O-N 2.88Å; E930-E934 VanDerWaalsContact O-N 3.08Å; L932-E934 VanDerWaalsContact C-N 3.32Å; L932-E934 PolarHBondContact O-N 3.1Å; E934-E937 PolarHBondContact O-N 3.43Å
935	R	77.6	Confident	83.2	Confident	37 Å²	37	49.8 Å²	49.8	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-39.5	178.8	-167.3	173.4	179.5	-124.6	-0.5	111	V186 D190 E828 G931 L932 M933 E937	V186-R935 HydrophobicContact CG1-CG 4.5Å; V186-R935 VanDerWaalsContact CG1-CZ 3.45Å; D190-R935 IonicContact OD1-CZ 3.36Å; D190-R935 IonicContact OD1-NE 3.78Å; D190-R935 PolarHBondContact OD1-NE 3.03Å; D190-R935 IonicContact OD1-NH2 3.55Å; D190-R935 PolarHBondContact OD1-NH2 3.31Å; D190-R935 IonicContact OD2-CZ 2.73Å; D190-R935 IonicContact OD2-NE 3.2Å; D190-R935 IonicContact OD2-NH2 3.6Å; D190-R935 PolarHBondContact OD2-NH2 3.17Å; E828-R935 IonicContact OE2-CZ 2.73Å; E828-R935 IonicContact OE2-NH1 3.22Å; E828-R935 PolarHBondContact OE2-NH1 3.44Å; G931-R935 PolarHBondContact O-N 3.22Å; L932-R935 WeakPolarHBondContact O-CA 3.44Å; L932-R935 WeakPolarHBondContact O-CB 3.28Å; L932-R935 PolarHBondContact O-N 2.85Å; L932-R935 VanDerWaalsContact O-N 3.08Å; M933-R935 VanDerWaalsContact C-N 3.27Å; M933-R935 PolarHBondContact O-N 3.08Å; R935-E937 VanDerWaalsContact C-N 3.27Å; R935-E937 PolarHBondContact O-N 2.84Å
936	I	81.2	Confident	83	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-80.9	-6.8	-179.4	-60.5	162.9	0	0	0	112.5	R825 E828 L829 L840 L932 M933 V938	R825-I936 HydrophobicContact CB-CG2 3.82Å; R825-I936 HydrophobicContact CG-CG2 3.73Å; E828-I936 HydrophobicContact CB-CD1 3.92Å; E828-I936 HydrophobicContact CB-CG1 4.14Å; L829-I936 HydrophobicContact CD1-CD1 4.4Å; L829-I936 HydrophobicContact CD2-CD1 3.51Å; L829-I936 HydrophobicContact CG-CD1 3.69Å; L840-I936 HydrophobicContact CD2-CG2 4.1Å; L932-I936 WeakPolarHBondContact O-CD1 3.41Å; L932-I936 VanDerWaalsContact O-CG1 3.28Å; L932-I936 WeakPolarHBondContact O-CG1 3.46Å; L932-I936 PolarHBondContact O-N 3.27Å; M933-I936 CarbonylContact O-C 3.53Å; M933-I936 PolarHBondContact O-N 3.24Å; I936-V938 HydrophobicContact CB-CG2 4.34Å; I936-V938 HydrophobicContact CG2-CG2 3.93Å
937	E	80.6	Confident	82.7	Confident	76 Å²	76	54.7 Å²	54.7	36%	0.355	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	37.2	-179.8	-54.7	172.3	164.1	0	0	112.9	R185 K189 M933 E934 R935	R185-E937 IonicContact NE-OE1 3.87Å; R185-E937 IonicContact NE-OE2 2.82Å; K189-E937 IonicContact NZ-OE1 3.28Å; K189-E937 PolarHBondContact NZ-OE1 3.23Å; M933-E937 PolarHBondContact O-N 3.34Å; E934-E937 PolarHBondContact O-N 3.43Å; R935-E937 VanDerWaalsContact C-N 3.27Å; R935-E937 PolarHBondContact O-N 2.84Å
938	V	80.9	Confident	82.7	Confident	8 Å²	8	54.4 Å²	54.4	5%	0.048	32%	0.315	C	S	.	.			trans	-97.3	125.4	173.4	-173.2	0	0	0	0	109.7	L840 E843 M933 I936	L840-V938 HydrophobicContact CD2-CG2 4.02Å; E843-V938 HydrophobicContact CB-CG1 3.77Å; E843-V938 HydrophobicContact CG-CG1 3.95Å; M933-V938 HydrophobicContact CB-CB 4.28Å; M933-V938 HydrophobicContact CE-CB 3.68Å; M933-V938 HydrophobicContact CE-CG1 3.25Å; M933-V938 HydrophobicContact CE-CG2 4.48Å; M933-V938 HydrophobicContact CG-CB 4.49Å; M933-V938 PolarHBondContact O-N 3.37Å; I936-V938 HydrophobicContact CB-CG2 4.34Å; I936-V938 HydrophobicContact CG2-CG2 3.93Å
939	E	82.1	Confident	82.9	Confident	140 Å²	140	51.9 Å²	51.9	65%	0.654	31%	0.306	S	S	*	.			trans	-73.6	131.8	177.6	-65.7	-173.6	171.3	0	0	111.6	S848 V941	S848-E939 WeakPolarHBondContact CB-O 3.41Å; S848-E939 PolarHBondContact OG-O 3.27Å; E939-V941 HydrophobicContact CB-CG2 4.17Å; E939-V941 PolarHBondContact O-N 3.5Å
940	V	83.8	Confident	83.1	Confident	61 Å²	61	52 Å²	52	37%	0.37	31%	0.306	S	S	.	.			trans	-85.2	105.2	174	-174.9	0	0	0	0	108.3	E849 L852	E849-V940 HydrophobicContact CB-CG1 4.07Å; L852-V940 HydrophobicContact CD1-CG1 4.43Å; L852-V940 HydrophobicContact CD1-CG2 4.32Å
941	V	86.8	Confident	83.2	Confident	52 Å²	52	50.5 Å²	50.5	32%	0.315	30%	0.298	S	S	.	.			trans	-126.2	138.4	179.1	-173.6	0	0	0	0	108.9	K846 C847 S848 E849 E939	K846-V941 HydrophobicContact CB-CB 4.44Å; K846-V941 HydrophobicContact CB-CG1 4.01Å; C847-V941 CarbonylContact C-O 3.58Å; S848-V941 PolarHBondContact N-O 3.33Å; E849-V941 PolarHBondContact N-O 3.38Å; E939-V941 HydrophobicContact CB-CG2 4.17Å; E939-V941 PolarHBondContact O-N 3.5Å
942	S	84.9	Confident	83.5	Confident	49 Å²	49	51.1 Å²	51.1	34%	0.343	29%	0.293	S	S	.	.			trans	-97.1	147.7	174.1	166.6	0	0	0	0	111.8	K846 E849 E850 S944	K846-S942 CarbonylContact O-C 3.56Å; E849-S942 WeakPolarHBondContact OE2-CB 2.99Å; E850-S942 WeakPolarHBondContact OE1-CA 3.26Å; E850-S942 WeakPolarHBondContact OE1-CB 3.12Å; E850-S942 PolarHBondContact OE1-OG 2.94Å; S942-S944 PolarHBondContact OG-N 2.96Å
943	C	76.9	Confident	83.8	Confident	20 Å²	20	49.9 Å²	49.9	14%	0.135	29%	0.286	C	S	.	.			trans	-90.7	13.6	179.7	63.4	0	0	0	0	114.9	K846 C847 E850 G945 D946 P949	K846-C943 PolarHBondContact O-N 2.87Å; C847-C943 HydrophobicContact CB-CB 3.93Å; E850-C943 PolarHBondContact OE1-N 2.93Å; E850-C943 PolarHBondContact OE1-SG 2.92Å; E850-C943 PolarHBondContact OE2-N 3.48Å; C943-G945 PolarHBondContact O-N 3.38Å; C943-D946 PolarHBondContact O-N 3.2Å; C943-D946 PolarHBondContact SG-O 3.47Å; C943-D946 VanDerWaalsContact SG-O 3.39Å; C943-P949 HydrophobicContact CB-CB 4.44Å; C943-P949 HydrophobicContact CB-CG 4.44Å
944	S	73.9	Confident	84.1	Confident	120 Å²	120	49.8 Å²	49.8	84%	0.839	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	30.1	174	-57.7	0	0	0	0	115	S942	S942-S944 PolarHBondContact OG-N 2.96Å
945	G	71.6	Confident	84.7	Confident	65 Å²	65	44.4 Å²	44.4	67%	0.67	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	9	173.8	0	0	0	0	0	116.9	C943	C943-G945 PolarHBondContact O-N 3.38Å
946	D	82.8	Confident	85.3	Confident	83 Å²	83	42.9 Å²	42.9	44%	0.444	26%	0.256	S	S	.	.			trans	-82.5	129.2	171.7	-168.1	-4.1	0	0	0	111.7	C943 V948 P949	C943-D946 PolarHBondContact O-N 3.2Å; C943-D946 PolarHBondContact SG-O 3.47Å; C943-D946 VanDerWaalsContact SG-O 3.39Å; D946-V948 PolarHBondContact OD1-N 3.43Å; D946-P949 HydrophobicContact CB-CG 4.23Å; D946-P949 VanDerWaalsContact CG-CD 3.44Å
947	N	85.1	Confident	85.8	Confident	57 Å²	57	42.8 Å²	42.8	31%	0.305	26%	0.256	S	S	.	.	H	α-helix	trans	-82.3	-23.9	-178.8	-67.9	-29.7	0	0	0	112.9	L890 I950 R951	L890-N947 HydrophobicContact CD1-CB 4.27Å; N947-I950 PolarHBondContact O-N 3.18Å; N947-R951 WeakPolarHBondContact O-CG 3.36Å; N947-R951 PolarHBondContact O-N 3.47Å; N947-R951 VanDerWaalsContact O-N 3.08Å
948	V	89.4	Confident	86.3	Confident	61 Å²	61	39.3 Å²	39.3	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-46.1	-174.4	178	0	0	0	0	112.3	D946 I950 R951 K952 W1018	D946-V948 PolarHBondContact OD1-N 3.43Å; V948-I950 VanDerWaalsContact C-N 3.29Å; V948-I950 PolarHBondContact O-N 2.82Å; V948-R951 PolarHBondContact O-N 3.46Å; V948-K952 HydrophobicContact CG1-CG 4.46Å; V948-K952 WeakPolarHBondContact O-CG 3.45Å; V948-K952 PolarHBondContact O-N 2.89Å; V948-W1018 HydrophobicContact CG1-CH2 4.17Å; V948-W1018 HydrophobicContact CG1-CZ2 3.78Å
949	P	90	Very high	86.7	Confident	23 Å²	23	39.1 Å²	39.1	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-39.6	176.5	-25.3	35.7	0	0	0	112.9	C847 C943 D946 K952 A953	C847-P949 HydrophobicContact CB-CB 4.17Å; C943-P949 HydrophobicContact CB-CB 4.44Å; C943-P949 HydrophobicContact CB-CG 4.44Å; D946-P949 HydrophobicContact CB-CG 4.23Å; D946-P949 VanDerWaalsContact CG-CD 3.44Å; P949-K952 PolarHBondContact O-N 2.94Å; P949-A953 PolarHBondContact O-N 3.42Å
950	I	91	Very high	86.9	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-48.5	177.6	-58.7	172.7	0	0	0	110	C847 E850 I854 L890 L893 N947 V948 K952 A953 V954	C847-I950 HydrophobicContact CB-CG1 4.12Å; E850-I950 HydrophobicContact CB-CD1 3.76Å; E850-I950 HydrophobicContact CB-CG1 4.16Å; E850-I950 HydrophobicContact CG-CD1 4.01Å; I854-I950 HydrophobicContact CD1-CG2 3.58Å; L890-I950 HydrophobicContact CD2-CD1 4.23Å; L890-I950 HydrophobicContact CD2-CG2 4.12Å; L893-I950 HydrophobicContact CD2-CD1 4.07Å; N947-I950 PolarHBondContact O-N 3.18Å; V948-I950 VanDerWaalsContact C-N 3.29Å; V948-I950 PolarHBondContact O-N 2.82Å; I950-K952 VanDerWaalsContact C-N 3.31Å; I950-K952 PolarHBondContact O-N 3.43Å; I950-A953 PolarHBondContact O-N 3.47Å; I950-V954 WeakPolarHBondContact O-CG2 3.36Å; I950-V954 PolarHBondContact O-N 2.98Å
951	R	91.8	Very high	87.2	Confident	34 Å²	34	33 Å²	33	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-61.9	-37.9	178	-66.1	173.8	-171.2	-155.9	13.4	112.2	N947 V948 V954 T955 I1012 E1013 W1018	N947-R951 WeakPolarHBondContact O-CG 3.36Å; N947-R951 PolarHBondContact O-N 3.47Å; N947-R951 VanDerWaalsContact O-N 3.08Å; V948-R951 PolarHBondContact O-N 3.46Å; R951-V954 PolarHBondContact O-N 2.78Å; R951-T955 WeakPolarHBondContact O-CB 2.98Å; R951-T955 PolarHBondContact O-N 2.74Å; R951-T955 PolarHBondContact O-OG1 3.23Å; R951-I1012 HydrophobicContact CB-CD1 4.32Å; R951-I1012 HydrophobicContact CG-CD1 3.66Å; R951-I1012 HydrophobicContact CG-CG1 4.09Å; R951-E1013 WeakPolarHBondContact CD-O 3.32Å; R951-E1013 IonicContact CZ-OE2 2.63Å; R951-E1013 IonicContact NH1-OE2 2.82Å; R951-E1013 PolarHBondContact NH1-OE2 3.5Å; R951-E1013 IonicContact NH2-OE2 3.64Å; R951-W1018 HydrophobicContact CB-CH2 4.15Å; R951-W1018 HydrophobicContact CB-CZ3 3.62Å
952	K	91.1	Very high	87.4	Confident	41 Å²	41	30.7 Å²	30.7	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-42.5	174	-73.7	-165.8	176.7	-150.4	0	112.2	Y845 V948 P949 I950 T955 A956 W1018 E1021	Y845-K952 HydrophobicContact CD1-CB 4.1Å; Y845-K952 HydrophobicContact CD1-CD 4.25Å; Y845-K952 HydrophobicContact CD2-CB 4.33Å; Y845-K952 HydrophobicContact CE1-CB 3.92Å; Y845-K952 HydrophobicContact CE1-CD 3.85Å; Y845-K952 HydrophobicContact CE2-CB 4.15Å; Y845-K952 HydrophobicContact CG-CB 4.31Å; V948-K952 HydrophobicContact CG1-CG 4.46Å; V948-K952 WeakPolarHBondContact O-CG 3.45Å; V948-K952 PolarHBondContact O-N 2.89Å; P949-K952 PolarHBondContact O-N 2.94Å; I950-K952 VanDerWaalsContact C-N 3.31Å; I950-K952 PolarHBondContact O-N 3.43Å; K952-T955 WeakPolarHBondContact O-CB 3.42Å; K952-T955 PolarHBondContact O-N 3.01Å; K952-A956 PolarHBondContact O-N 3.08Å; K952-W1018 HydrophobicContact CG-CD2 3.89Å; K952-W1018 HydrophobicContact CG-CE3 4.16Å; K952-W1018 HydrophobicContact CG-CG 4.16Å; K952-E1021 IonicContact NZ-OE2 3.97Å; K952-E1021 PolarHBondContact NZ-OE2 3.3Å
953	A	92.1	Very high	87.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-42.9	175.5	0	0	0	0	0	112.2	Y845 V851 P949 I950 T955 A956 G957	Y845-A953 HydrophobicContact CD2-CB 4.05Å; V851-A953 HydrophobicContact CG2-CB 3.87Å; P949-A953 PolarHBondContact O-N 3.42Å; I950-A953 PolarHBondContact O-N 3.47Å; A953-T955 VanDerWaalsContact C-N 3.3Å; A953-T955 PolarHBondContact O-N 3.42Å; A953-A956 WeakPolarHBondContact O-CB 3.45Å; A953-A956 PolarHBondContact O-N 3.46Å; A953-A956 VanDerWaalsContact O-N 3.15Å; A953-G957 PolarHBondContact O-N 3.48Å
954	V	92.2	Very high	88.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-41.2	173.1	178.3	0	0	0	0	110.7	M838 I950 R951 A956 G957 Y958 I996 I1012	M838-V954 HydrophobicContact SD-CB 4.28Å; M838-V954 HydrophobicContact SD-CG1 4.46Å; M838-V954 HydrophobicContact SD-CG2 3.76Å; I950-V954 WeakPolarHBondContact O-CG2 3.36Å; I950-V954 PolarHBondContact O-N 2.98Å; R951-V954 PolarHBondContact O-N 2.78Å; V954-A956 VanDerWaalsContact C-N 3.28Å; V954-A956 PolarHBondContact O-N 3.15Å; V954-G957 PolarHBondContact O-N 2.89Å; V954-Y958 HydrophobicContact CG1-CD2 4.14Å; V954-Y958 PolarHBondContact O-N 3.3Å; V954-I996 HydrophobicContact CG1-CG2 4.38Å; V954-I1012 HydrophobicContact CB-CD1 4.47Å; V954-I1012 HydrophobicContact CG1-CG2 3.91Å; V954-I1012 HydrophobicContact CG2-CD1 4.25Å
955	T	92.1	Very high	89	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-38.3	174.9	-55.7	0	0	0	0	111.8	R951 K952 A953 G957 F959 I996 I1014 W1018 L1019 V1022	R951-T955 WeakPolarHBondContact O-CB 2.98Å; R951-T955 PolarHBondContact O-N 2.74Å; R951-T955 PolarHBondContact O-OG1 3.23Å; K952-T955 WeakPolarHBondContact O-CB 3.42Å; K952-T955 PolarHBondContact O-N 3.01Å; A953-T955 VanDerWaalsContact C-N 3.3Å; A953-T955 PolarHBondContact O-N 3.42Å; T955-G957 VanDerWaalsContact C-N 3.34Å; T955-G957 PolarHBondContact O-N 2.97Å; T955-F959 WeakPolarHBondContact O-CA 3.45Å; T955-F959 VanDerWaalsContact O-CB 3.29Å; T955-F959 WeakPolarHBondContact O-CB 3.44Å; T955-F959 PolarHBondContact O-N 2.91Å; T955-I996 HydrophobicContact CG2-CD1 3.98Å; T955-I1014 WeakPolarHBondContact OG1-CG2 3.38Å; T955-W1018 HydrophobicContact CG2-CB 4.3Å; T955-L1019 HydrophobicContact CG2-CD2 3.73Å; T955-V1022 HydrophobicContact CG2-CG2 4.27Å
956	A	91.3	Very high	89.6	Confident	6 Å²	6	26 Å²	26	5%	0.05	13%	0.133	C	C	.	.	H	α-helix	trans	-63.4	-33	176.8	0	0	0	0	0	114.9	K837 A841 Y845 K952 A953 V954 F959 V1022	K837-A956 VanDerWaalsContact CG-O 3.29Å; K837-A956 WeakPolarHBondContact CG-O 3.22Å; A841-A956 HydrophobicContact CB-CB 3.48Å; A841-A956 VanDerWaalsContact CB-CB 3.48Å; Y845-A956 HydrophobicContact CE2-CB 4.46Å; K952-A956 PolarHBondContact O-N 3.08Å; A953-A956 WeakPolarHBondContact O-CB 3.45Å; A953-A956 PolarHBondContact O-N 3.46Å; A953-A956 VanDerWaalsContact O-N 3.15Å; V954-A956 VanDerWaalsContact C-N 3.28Å; V954-A956 PolarHBondContact O-N 3.15Å; A956-F959 WeakPolarHBondContact O-CD1 3.31Å; A956-V1022 VanDerWaalsContact CA-CG1 3.45Å; A956-V1022 HydrophobicContact CB-CG1 4.03Å
957	G	90.5	Very high	89.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-85.3	-42.6	175.3	0	0	0	0	0	113.8	M834 A953 V954 T955	M834-G957 VanDerWaalsContact O-CA 3.31Å; M834-G957 WeakPolarHBondContact O-CA 3.45Å; A953-G957 PolarHBondContact O-N 3.48Å; V954-G957 PolarHBondContact O-N 2.89Å; T955-G957 VanDerWaalsContact C-N 3.34Å; T955-G957 PolarHBondContact O-N 2.97Å
958	Y	91.8	Very high	88.9	Confident	2 Å²	2	32.9 Å²	32.9	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-109.5	22.2	-167.5	-69.3	-89.3	0	0	0	113.8	M834 L835 M838 V954 Y960 H961 I996 H998	M834-Y958 HydrophobicContact CB-CD1 4.2Å; M834-Y958 HydrophobicContact CB-CE1 3.94Å; M834-Y958 HydrophobicContact SD-CD1 4.31Å; L835-Y958 HydrophobicContact CD1-CE2 4.19Å; L835-Y958 VanDerWaalsContact CD1-OH 3.26Å; L835-Y958 WeakPolarHBondContact CD1-OH 3.37Å; M838-Y958 HydrophobicContact CB-CE2 4.49Å; M838-Y958 HydrophobicContact SD-CD2 4.28Å; M838-Y958 HydrophobicContact SD-CE2 3.89Å; V954-Y958 HydrophobicContact CG1-CD2 4.14Å; V954-Y958 PolarHBondContact O-N 3.3Å; Y958-Y960 PolarHBondContact O-N 2.89Å; Y958-H961 AromaticContact CD1-ND1 3.9Å; Y958-H961 PolarHBondContact O-N 2.9Å; Y958-I996 VanDerWaalsContact CB-CG2 3.43Å; Y958-I996 HydrophobicContact CG-CG2 4.38Å; Y958-H998 AromaticContact CE1-ND1 3.35Å; Y958-H998 WeakPolarHBondContact CE1-ND1 3.45Å; Y958-H998 AromaticContact CZ-CE1 3.85Å; Y958-H998 AromaticContact CZ-ND1 3.32Å; Y958-H998 VanDerWaalsContact CZ-ND1 3.32Å; Y958-H998 PolarHBondContact OH-CE1 3.47Å; Y958-H998 PolarHBondContact OH-ND1 2.98Å
959	F	90	Very high	88.6	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.018	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.3	176.3	69.1	-94	0	0	0	112.7	A809 L810 T955 A956 H961 T962 L1019 V1022 A1023 Y1026 Y1027	A809-F959 HydrophobicContact CB-CE2 4.31Å; A809-F959 HydrophobicContact CB-CZ 4.16Å; A809-F959 WeakPolarHBondContact O-CZ 3.46Å; L810-F959 HydrophobicContact CD2-CE1 3.8Å; L810-F959 HydrophobicContact CD2-CZ 4.17Å; T955-F959 WeakPolarHBondContact O-CA 3.45Å; T955-F959 VanDerWaalsContact O-CB 3.29Å; T955-F959 WeakPolarHBondContact O-CB 3.44Å; T955-F959 PolarHBondContact O-N 2.91Å; A956-F959 WeakPolarHBondContact O-CD1 3.31Å; F959-H961 VanDerWaalsContact C-N 3.3Å; F959-T962 VanDerWaalsContact O-CG2 3.23Å; F959-T962 WeakPolarHBondContact O-CG2 3.49Å; F959-L1019 HydrophobicContact CB-CD2 4.13Å; F959-V1022 HydrophobicContact CD1-CG1 4.39Å; F959-A1023 HydrophobicContact CB-CB 4.44Å; F959-A1023 HydrophobicContact CD1-CB 4.27Å; F959-A1023 HydrophobicContact CD2-CB 3.75Å; F959-A1023 HydrophobicContact CE2-CB 4.07Å; F959-A1023 HydrophobicContact CG-CB 3.89Å; F959-A1023 HydrophobicContact CZ-CB 4.45Å; F959-Y1026 AromaticContact CD2-CD1 3.95Å; F959-Y1026 HydrophobicContact CD2-CD1 3.95Å; F959-Y1026 HydrophobicContact CD2-CE1 4.47Å; F959-Y1026 HydrophobicContact CD2-CG 4.25Å; F959-Y1026 HydrophobicContact CE2-CD1 4.07Å; F959-Y1026 HydrophobicContact CE2-CD2 4.41Å; F959-Y1026 AromaticContact CE2-CG 3.94Å; F959-Y1026 HydrophobicContact CE2-CG 3.94Å; F959-Y1027 HydrophobicContact CB-CE2 4.18Å; F959-Y1027 HydrophobicContact CD2-CE2 4.14Å; F959-Y1027 WeakPolarHBondContact O-CE2 3.36Å; F959-Y1027 PolarHBondContact O-OH 3.47Å
960	Y	86.2	Confident	88.6	Confident	45 Å²	45	29.9 Å²	29.9	18%	0.176	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-31.7	174	-154.3	-93.2	0	0	0	111.9	Y958 T962 Y1026	Y958-Y960 PolarHBondContact O-N 2.89Å; Y960-T962 PolarHBondContact O-N 3.32Å; Y960-Y1026 HydrophobicContact CD2-CE1 4.33Å; Y960-Y1026 AromaticContact CD2-CE2 3.92Å; Y960-Y1026 HydrophobicContact CD2-CE2 3.92Å; Y960-Y1026 AromaticContact CD2-CZ 3.6Å; Y960-Y1026 VanDerWaalsContact CD2-OH 3.27Å; Y960-Y1026 WeakPolarHBondContact CD2-OH 3.4Å; Y960-Y1026 AromaticContact CE2-CE2 3.7Å; Y960-Y1026 HydrophobicContact CE2-CE2 3.7Å; Y960-Y1026 AromaticContact CE2-CZ 3.6Å; Y960-Y1026 WeakPolarHBondContact CE2-OH 3.45Å
961	H	89.4	Confident	88.5	Confident	28 Å²	28	35 Å²	35	13%	0.13	18%	0.177	C	C	.	.	S	Bend	trans	-98.7	59.4	-174.3	-69.5	-176.5	0	0	0	112	M834 Y958 F959 I996 Y997 H998	M834-H961 VanDerWaalsContact CE-CE1 3.47Å; M834-H961 WeakPolarHBondContact CE-CE1 3.39Å; Y958-H961 AromaticContact CD1-ND1 3.9Å; Y958-H961 PolarHBondContact O-N 2.9Å; F959-H961 VanDerWaalsContact C-N 3.3Å; H961-I996 WeakPolarHBondContact O-CA 3.27Å; H961-Y997 HydrophobicContact CB-CD1 4.33Å; H961-Y997 HydrophobicContact CB-CD2 3.71Å; H961-Y997 HydrophobicContact CB-CE1 4.1Å; H961-Y997 HydrophobicContact CB-CE2 3.39Å; H961-Y997 HydrophobicContact CB-CG 4.16Å; H961-Y997 WeakPolarHBondContact CB-O 3.42Å; H961-Y997 AromaticContact CD2-CE2 3.97Å; H961-Y997 AromaticContact CG-CD2 4Å; H961-Y997 AromaticContact CG-CE2 3.47Å; H961-Y997 VanDerWaalsContact CG-CE2 3.47Å; H961-Y997 AromaticContact ND1-CE2 3.85Å; H961-Y997 VanDerWaalsContact O-CD1 3.27Å; H961-Y997 WeakPolarHBondContact O-CD1 3.4Å; H961-Y997 WeakPolarHBondContact O-CE1 3.36Å; H961-Y997 PolarHBondContact O-N 2.82Å; H961-Y997 VanDerWaalsContact O-N 3.1Å; H961-H998 PolarHBondContact ND1-O 2.87Å
962	T	90.3	Very high	88.3	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.9	-179.5	60.7	0	0	0	0	112.3	F959 Y960 T972 V973 L995 I996 I1014 L1019 Y1027	F959-T962 VanDerWaalsContact O-CG2 3.23Å; F959-T962 WeakPolarHBondContact O-CG2 3.49Å; Y960-T962 PolarHBondContact O-N 3.32Å; T962-T972 WeakPolarHBondContact O-CA 3.38Å; T962-V973 PolarHBondContact O-N 3.13Å; T962-V973 WeakPolarHBondContact OG1-CG2 3.35Å; T962-L995 WeakPolarHBondContact CA-O 3.46Å; T962-I996 HydrophobicContact CG2-CD1 4.44Å; T962-I996 HydrophobicContact CG2-CG1 3.98Å; T962-I1014 HydrophobicContact CG2-CD1 4.43Å; T962-L1019 HydrophobicContact CG2-CD1 4.01Å; T962-L1019 HydrophobicContact CG2-CD2 3.62Å; T962-L1019 HydrophobicContact CG2-CG 4.49Å; T962-Y1027 PolarHBondContact OG1-OH 2.87Å
963	A	90.8	Very high	87.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.6	176	0	0	0	0	0	111.2	Y970 R971 V979 L995 Y997 M1008	A963-Y970 HydrophobicContact CB-CD1 4.34Å; A963-R971 WeakPolarHBondContact CA-O 3.34Å; A963-V979 HydrophobicContact CB-CG2 4.2Å; A963-L995 PolarHBondContact N-O 2.68Å; A963-L995 PolarHBondContact O-N 2.88Å; A963-Y997 HydrophobicContact CB-CD1 4.17Å; A963-Y997 HydrophobicContact CB-CE1 4.2Å; A963-M1008 HydrophobicContact CB-CE 4.18Å; A963-M1008 HydrophobicContact CB-SD 3.43Å; A963-M1008 WeakPolarHBondContact CB-SD 3.37Å
964	R	89.8	Confident	87.1	Confident	60 Å²	60	36.7 Å²	36.7	23%	0.226	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.5	179.3	-172.7	-176.7	70.5	173	-6.1	110.9	Y970 R971 R993 W994 D1034	R964-Y970 CarbonylContact O-C 3.37Å; R964-Y970 WeakPolarHBondContact O-CA 3.3Å; R964-R971 PolarHBondContact N-O 2.68Å; R964-R971 PolarHBondContact O-N 3.4Å; R964-R993 WeakPolarHBondContact CA-O 3.23Å; R964-W994 HydrophobicContact CB-CD2 4.46Å; R964-W994 HydrophobicContact CB-CE3 4.06Å; R964-W994 HydrophobicContact CB-CH2 4.35Å; R964-W994 HydrophobicContact CB-CZ3 4.01Å; R964-W994 HydrophobicContact CG-CD2 4.18Å; R964-W994 HydrophobicContact CG-CE3 4.24Å; R964-W994 HydrophobicContact CG-CH2 4.15Å; R964-W994 HydrophobicContact CG-CZ2 4.08Å; R964-W994 HydrophobicContact CG-CZ3 4.24Å; R964-D1034 IonicContact CZ-OD1 3.77Å; R964-D1034 IonicContact NH1-OD1 3.86Å; R964-D1034 PolarHBondContact NH1-OD1 2.72Å; R964-D1034 VanDerWaalsContact NH1-OD1 3.12Å
965	L	89.1	Confident	86.3	Confident	57 Å²	57	40.8 Å²	40.8	30%	0.298	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	134.2	175.2	-172.8	64.4	0	0	0	111.3	Y970 R993	L965-Y970 HydrophobicContact CB-CD1 4.21Å; L965-Y970 HydrophobicContact CB-CE1 3.74Å; L965-Y970 HydrophobicContact CD1-CD1 4.46Å; L965-Y970 HydrophobicContact CD1-CD2 4.31Å; L965-Y970 HydrophobicContact CD1-CE1 3.98Å; L965-Y970 HydrophobicContact CD1-CE2 3.85Å; L965-Y970 HydrophobicContact CG-CE1 4.44Å; L965-R993 PolarHBondContact N-O 2.87Å
966	S	85.5	Confident	85.8	Confident	40 Å²	40	47.3 Å²	47.3	28%	0.28	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	172.3	176.6	-163.2	0	0	0	0	110.6	G968 G969	S966-G968 PolarHBondContact O-N 3.34Å; S966-G969 CarbonylContact C-O 3.6Å; S966-G969 WeakPolarHBondContact CA-O 3.31Å; S966-G969 WeakPolarHBondContact CB-O 3.41Å; S966-G969 PolarHBondContact N-O 3.05Å; S966-G969 PolarHBondContact O-N 2.87Å; S966-G969 VanDerWaalsContact O-O 3.07Å
967	K	77.2	Confident	85.5	Confident	222 Å²	222	48.8 Å²	48.8	97%	0.965	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-4.6	-176.5	-69.8	-172.3	177.4	-177.2	0	114.9
968	G	74.3	Confident	85.4	Confident	61 Å²	61	52.1 Å²	52.1	63%	0.629	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.3	25.3	-178	0	0	0	0	0	114.2	S966	S966-G968 PolarHBondContact O-N 3.34Å
969	G	84.4	Confident	85.3	Confident	18 Å²	18	52 Å²	52	19%	0.186	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.9	-160.1	-173.2	0	0	0	0	0	111.7	S966	S966-G969 CarbonylContact C-O 3.6Å; S966-G969 WeakPolarHBondContact CA-O 3.31Å; S966-G969 WeakPolarHBondContact CB-O 3.41Å; S966-G969 PolarHBondContact N-O 3.05Å; S966-G969 PolarHBondContact O-N 2.87Å; S966-G969 VanDerWaalsContact O-O 3.07Å
970	Y	89.5	Confident	85.3	Confident	4 Å²	4	55 Å²	55	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	152.5	179.1	-73.1	-92	0	0	0	111.4	A963 R964 L965 T978 V979 V981 Q991 P992 L995 M1008	A963-Y970 HydrophobicContact CB-CD1 4.34Å; R964-Y970 CarbonylContact O-C 3.37Å; R964-Y970 WeakPolarHBondContact O-CA 3.3Å; L965-Y970 HydrophobicContact CB-CD1 4.21Å; L965-Y970 HydrophobicContact CB-CE1 3.74Å; L965-Y970 HydrophobicContact CD1-CD1 4.46Å; L965-Y970 HydrophobicContact CD1-CD2 4.31Å; L965-Y970 HydrophobicContact CD1-CE1 3.98Å; L965-Y970 HydrophobicContact CD1-CE2 3.85Å; L965-Y970 HydrophobicContact CG-CE1 4.44Å; Y970-T978 CarbonylContact O-C 3.56Å; Y970-T978 WeakPolarHBondContact O-CA 3.26Å; Y970-V979 WeakPolarHBondContact CA-O 3.45Å; Y970-V979 VanDerWaalsContact CB-O 3.3Å; Y970-V979 WeakPolarHBondContact CB-O 3.45Å; Y970-V979 PolarHBondContact N-O 2.93Å; Y970-V979 PolarHBondContact O-N 3.45Å; Y970-V981 HydrophobicContact CD2-CG2 3.96Å; Y970-V981 HydrophobicContact CE2-CG2 3.69Å; Y970-Q991 VanDerWaalsContact OH-CA 3.27Å; Y970-Q991 WeakPolarHBondContact OH-CA 3.23Å; Y970-Q991 WeakPolarHBondContact OH-CB 3.39Å; Y970-P992 VanDerWaalsContact CE1-O 3.23Å; Y970-P992 WeakPolarHBondContact CE1-O 3.37Å; Y970-P992 WeakPolarHBondContact OH-CD 3.27Å; Y970-P992 PolarHBondContact OH-O 3.37Å; Y970-L995 HydrophobicContact CD1-CD1 3.73Å; Y970-L995 HydrophobicContact CD1-CG 4.35Å; Y970-L995 HydrophobicContact CD2-CD1 4.33Å; Y970-L995 HydrophobicContact CE1-CB 4.45Å; Y970-L995 HydrophobicContact CE1-CD1 3.18Å; Y970-L995 HydrophobicContact CE1-CG 3.69Å; Y970-L995 HydrophobicContact CE2-CD1 3.83Å; Y970-L995 HydrophobicContact CG-CD1 4.28Å; Y970-L995 WeakPolarHBondContact OH-CD1 3.44Å; Y970-M1008 HydrophobicContact CD1-CE 4.4Å; Y970-M1008 HydrophobicContact CD2-CE 3.93Å; Y970-M1008 HydrophobicContact CG-CE 3.73Å
971	R	88.8	Confident	85.5	Confident	111 Å²	111	53.4 Å²	53.4	42%	0.419	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.5	171.4	-68.2	-172.9	-178.2	-172.5	-1.7	111.2	A963 R964 Q977 T978	A963-R971 WeakPolarHBondContact CA-O 3.34Å; R964-R971 PolarHBondContact N-O 2.68Å; R964-R971 PolarHBondContact O-N 3.4Å; R971-Q977 CarbonylContact C-O 3.59Å; R971-Q977 WeakPolarHBondContact CA-O 3.29Å; R971-T978 HydrophobicContact CG-CG2 4.19Å
972	T	87.4	Confident	85.4	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	141.5	172.1	60.3	0	0	0	0	110.2	T962 Q976 Q977 V979	T962-T972 WeakPolarHBondContact O-CA 3.38Å; T972-Q976 VanDerWaalsContact O-CA 3.23Å; T972-Q976 WeakPolarHBondContact O-CA 3.36Å; T972-Q976 PolarHBondContact O-N 2.9Å; T972-Q976 PolarHBondContact OG1-N 3.37Å; T972-Q977 HydrophobicContact CG2-CB 4.35Å; T972-Q977 PolarHBondContact N-O 2.98Å; T972-Q977 PolarHBondContact OG1-N 3.08Å; T972-V979 HydrophobicContact CG2-CG1 3.94Å; T972-V979 HydrophobicContact CG2-CG2 4.18Å
973	V	82	Confident	85.1	Confident	27 Å²	27	56.6 Å²	56.6	16%	0.164	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-45.7	-171.7	-178.9	0	0	0	0	112.8	T962 W994 Y1027	T962-V973 PolarHBondContact O-N 3.13Å; T962-V973 WeakPolarHBondContact OG1-CG2 3.35Å; V973-W994 HydrophobicContact CG2-CZ3 3.77Å; V973-Y1027 HydrophobicContact CB-CE1 4.15Å; V973-Y1027 HydrophobicContact CG1-CD1 4.3Å; V973-Y1027 HydrophobicContact CG1-CE1 3.71Å
974	K	76.7	Confident	84.6	Confident	77 Å²	77	60.6 Å²	60.6	34%	0.335	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-50.6	-177	-69	-67.5	-168.6	-171.8	0	113.6	Y1026 E1031	K974-Y1026 HydrophobicContact CD-CE1 4.35Å; K974-Y1026 VanDerWaalsContact CE-CE1 3.42Å; K974-Y1026 HydrophobicContact CG-CE1 3.95Å; K974-Y1026 WeakPolarHBondContact CG-OH 3.49Å; K974-Y1026 PolarHBondContact NZ-O 2.89Å; K974-E1031 IonicContact NZ-OE1 2.95Å; K974-E1031 PolarHBondContact NZ-OE1 3.06Å; K974-E1031 IonicContact NZ-OE2 2.85Å; K974-E1031 PolarHBondContact NZ-OE2 3.22Å
975	H	76.1	Confident	84.3	Confident	87 Å²	87	58.2 Å²	58.2	40%	0.403	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.2	-175.4	-58.5	-64.2	0	0	0	114.1	Q977	H975-Q977 HydrophobicContact CB-CG 3.9Å; H975-Q977 PolarHBondContact O-N 3.42Å
976	Q	80.9	Confident	84	Confident	137 Å²	137	56.9 Å²	56.9	64%	0.64	30%	0.301	S	S	*	.			trans	52.1	22.9	-175.7	-57.3	-171.9	3.3	0	0	114.9	T972	T972-Q976 VanDerWaalsContact O-CA 3.23Å; T972-Q976 WeakPolarHBondContact O-CA 3.36Å; T972-Q976 PolarHBondContact O-N 2.9Å; T972-Q976 PolarHBondContact OG1-N 3.37Å
977	Q	84	Confident	83.9	Confident	36 Å²	36	55.1 Å²	55.1	17%	0.168	29%	0.289	C	S	.	.			trans	-71.4	142.4	177.1	-72.2	166	-0.9	0	0	110.8	T715 R971 T972 H975	T715-Q977 VanDerWaalsContact CG2-NE2 3.25Å; R971-Q977 CarbonylContact C-O 3.59Å; R971-Q977 WeakPolarHBondContact CA-O 3.29Å; T972-Q977 HydrophobicContact CG2-CB 4.35Å; T972-Q977 PolarHBondContact N-O 2.98Å; T972-Q977 PolarHBondContact OG1-N 3.08Å; H975-Q977 HydrophobicContact CB-CG 3.9Å; H975-Q977 PolarHBondContact O-N 3.42Å
978	T	88.6	Confident	84.1	Confident	70 Å²	70	49.2 Å²	49.2	43%	0.429	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109.8	-179.4	49.2	0	0	0	0	110.7	Y970 R971	Y970-T978 CarbonylContact O-C 3.56Å; Y970-T978 WeakPolarHBondContact O-CA 3.26Å; R971-T978 HydrophobicContact CG-CG2 4.19Å
979	V	89.6	Confident	84.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	153.2	-175.5	-62.5	0	0	0	0	110.4	M717 A963 Y970 T972 L1000 E1006 M1008	M717-V979 HydrophobicContact CE-CG1 4.35Å; A963-V979 HydrophobicContact CB-CG2 4.2Å; Y970-V979 WeakPolarHBondContact CA-O 3.45Å; Y970-V979 VanDerWaalsContact CB-O 3.3Å; Y970-V979 WeakPolarHBondContact CB-O 3.45Å; Y970-V979 PolarHBondContact N-O 2.93Å; Y970-V979 PolarHBondContact O-N 3.45Å; T972-V979 HydrophobicContact CG2-CG1 3.94Å; T972-V979 HydrophobicContact CG2-CG2 4.18Å; V979-L1000 HydrophobicContact CB-CD2 4.2Å; V979-L1000 HydrophobicContact CG1-CD2 3.73Å; V979-E1006 HydrophobicContact CG1-CB 4.09Å; V979-M1008 HydrophobicContact CB-CG 4.05Å; V979-M1008 HydrophobicContact CB-SD 4.26Å; V979-M1008 HydrophobicContact CG2-CE 3.87Å; V979-M1008 HydrophobicContact CG2-CG 3.97Å; V979-M1008 HydrophobicContact CG2-SD 3.52Å; V979-M1008 VanDerWaalsContact CG2-SD 3.52Å
980	F	90.8	Very high	83.9	Confident	68 Å²	68	59.9 Å²	59.9	30%	0.298	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.4	-179.7	-62.9	-84.7	0	0	0	110.8	K1005 E1006 F1007 M1008	F980-K1005 HydrophobicContact CD2-CB 4.3Å; F980-K1005 HydrophobicContact CD2-CD 4.25Å; F980-K1005 HydrophobicContact CE2-CD 4.15Å; F980-E1006 PolarHBondContact N-O 3.48Å; F980-F1007 HydrophobicContact CB-CD1 3.94Å; F980-F1007 HydrophobicContact CB-CE1 4.03Å; F980-F1007 CarbonylContact O-C 3.49Å; F980-F1007 VanDerWaalsContact O-CA 3.28Å; F980-F1007 WeakPolarHBondContact O-CA 3.35Å; F980-M1008 PolarHBondContact O-N 3.35Å
981	V	89.6	Confident	83.5	Confident	10 Å²	10	65.1 Å²	65.1	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.8	170.7	178.2	0	0	0	0	108.5	Y970 S985 L995 M1008 V1011	Y970-V981 HydrophobicContact CD2-CG2 3.96Å; Y970-V981 HydrophobicContact CE2-CG2 3.69Å; V981-S985 VanDerWaalsContact CG1-CB 3.49Å; V981-L995 HydrophobicContact CG2-CD1 3.83Å; V981-M1008 HydrophobicContact CG2-CE 3.76Å; V981-V1011 HydrophobicContact CG1-CG2 4.33Å
982	H	87.6	Confident	83.4	Confident	30 Å²	30	60.4 Å²	60.4	14%	0.139	30%	0.3	C	S	.	.			trans	-62.8	138.7	177.8	-168.4	-87.2	0	0	0	110.7	N984 S985 F1007 M1008 R1009	H982-N984 VanDerWaalsContact CE1-CG 3.43Å; H982-N984 PolarHBondContact CE1-ND2 2.95Å; H982-N984 VanDerWaalsContact ND1-CB 3.33Å; H982-N984 WeakPolarHBondContact ND1-CB 3.27Å; H982-N984 PolarHBondContact ND1-N 3.24Å; H982-N984 VanDerWaalsContact ND1-N 3.14Å; H982-N984 PolarHBondContact O-N 3.37Å; H982-S985 VanDerWaalsContact O-CB 3.3Å; H982-S985 WeakPolarHBondContact O-CB 3.48Å; H982-S985 PolarHBondContact O-N 3.26Å; H982-F1007 HydrophobicContact CB-CB 4.2Å; H982-F1007 HydrophobicContact CB-CD1 4.5Å; H982-M1008 WeakPolarHBondContact CB-O 3.49Å; H982-M1008 PolarHBondContact N-O 2.95Å; H982-R1009 HydrophobicContact CB-CG 3.96Å
983	P	84	Confident	83.4	Confident	68 Å²	68	69 Å²	69	44%	0.442	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-27	-178.3	-27	35.1	0	0	0	114.4	S985 F988	P983-S985 PolarHBondContact O-N 2.97Å; P983-F988 HydrophobicContact CB-CE2 4.39Å; P983-F988 HydrophobicContact CG-CE2 4.32Å
984	N	80.8	Confident	83.7	Confident	84 Å²	84	69.2 Å²	69.2	45%	0.449	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4	175.7	-62.5	-1.4	0	0	0	113.6	R879 H982	R879-N984 PolarHBondContact NH1-O 2.97Å; R879-N984 PolarHBondContact NH2-O 3.43Å; H982-N984 VanDerWaalsContact CE1-CG 3.43Å; H982-N984 PolarHBondContact CE1-ND2 2.95Å; H982-N984 VanDerWaalsContact ND1-CB 3.33Å; H982-N984 WeakPolarHBondContact ND1-CB 3.27Å; H982-N984 PolarHBondContact ND1-N 3.24Å; H982-N984 VanDerWaalsContact ND1-N 3.14Å; H982-N984 PolarHBondContact O-N 3.37Å
985	S	84.1	Confident	84.4	Confident	11 Å²	11	65.5 Å²	65.5	8%	0.077	31%	0.314	C	S	.	.	S	Bend	trans	-78.8	149.2	179.4	-175	0	0	0	0	111.4	D888 V981 H982 P983 L987 F988	D888-S985 VanDerWaalsContact CG-OG 3.25Å; D888-S985 WeakPolarHBondContact OD1-CA 3.33Å; D888-S985 PolarHBondContact OD1-OG 3.22Å; D888-S985 VanDerWaalsContact OD2-CB 3.31Å; D888-S985 WeakPolarHBondContact OD2-CB 3.23Å; D888-S985 PolarHBondContact OD2-OG 2.72Å; V981-S985 VanDerWaalsContact CG1-CB 3.49Å; H982-S985 VanDerWaalsContact O-CB 3.3Å; H982-S985 WeakPolarHBondContact O-CB 3.48Å; H982-S985 PolarHBondContact O-N 3.26Å; P983-S985 PolarHBondContact O-N 2.97Å; S985-L987 PolarHBondContact O-N 3.34Å; S985-L987 PolarHBondContact OG-N 3.3Å; S985-F988 WeakPolarHBondContact O-CB 3.4Å; S985-F988 PolarHBondContact O-N 3.26Å
986	S	82	Confident	85.2	Confident	28 Å²	28	61.4 Å²	61.4	20%	0.196	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-62.3	-28	169	56.2	0	0	0	0	112.7	D888 F988	D888-S986 PolarHBondContact OD1-N 3.44Å; D888-S986 PolarHBondContact OD1-OG 3.24Å; S986-F988 VanDerWaalsContact C-N 3.27Å; S986-F988 PolarHBondContact O-N 2.95Å
987	L	82.4	Confident	85.7	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-91.7	25.1	-178.4	-64.3	172.3	0	0	0	112.7	S985 E990 P992 L995 V1011	S985-L987 PolarHBondContact O-N 3.34Å; S985-L987 PolarHBondContact OG-N 3.3Å; L987-E990 CarbonylContact C-O 3.47Å; L987-P992 HydrophobicContact CD1-CG 4.42Å; L987-P992 HydrophobicContact CD2-CG 4.13Å; L987-L995 HydrophobicContact CD1-CD2 4.04Å; L987-V1011 HydrophobicContact CD1-CB 4.26Å; L987-V1011 HydrophobicContact CD1-CG1 3.81Å
988	F	81.6	Confident	85.9	Confident	98 Å²	98	55.4 Å²	55.4	43%	0.43	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-74.9	-40.8	176.1	-177.6	-105	0	0	0	111.9	P983 S985 S986	P983-F988 HydrophobicContact CB-CE2 4.39Å; P983-F988 HydrophobicContact CG-CE2 4.32Å; S985-F988 WeakPolarHBondContact O-CB 3.4Å; S985-F988 PolarHBondContact O-N 3.26Å; S986-F988 VanDerWaalsContact C-N 3.27Å; S986-F988 PolarHBondContact O-N 2.95Å
989	E	77.1	Confident	85.8	Confident	173 Å²	173	54.3 Å²	54.3	81%	0.808	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-48	179.7	-63.8	-171.8	169.6	0	0	112.1	Q991	E989-Q991 PolarHBondContact O-N 3.38Å
990	E	78.8	Confident	85.5	Confident	129 Å²	129	55.3 Å²	55.3	60%	0.603	26%	0.262	S	S	*	.	S	Bend	trans	-84.1	112.7	172.4	-66.4	-172.7	163.3	0	0	108.8	L987 P992	L987-E990 CarbonylContact C-O 3.47Å; E990-P992 VanDerWaalsContact O-CD 3.23Å; E990-P992 WeakPolarHBondContact O-CD 3.36Å
991	Q	80.8	Confident	85.2	Confident	114 Å²	114	53.3 Å²	53.3	53%	0.533	26%	0.255	S	S	.	.			trans	-103.1	95	-177.6	-69.6	-176	-4.2	0	0	110.9	Y970 E989	Y970-Q991 VanDerWaalsContact OH-CA 3.27Å; Y970-Q991 WeakPolarHBondContact OH-CA 3.23Å; Y970-Q991 WeakPolarHBondContact OH-CB 3.39Å; E989-Q991 PolarHBondContact O-N 3.38Å
992	P	86.4	Confident	84.8	Confident	13 Å²	13	57.4 Å²	57.4	8%	0.084	27%	0.272	C	S	.	.			trans	-69.7	158.5	179.3	-12.3	29.6	0	0	0	110.9	Y970 L987 E990 L995 E1013	Y970-P992 VanDerWaalsContact CE1-O 3.23Å; Y970-P992 WeakPolarHBondContact CE1-O 3.37Å; Y970-P992 WeakPolarHBondContact OH-CD 3.27Å; Y970-P992 PolarHBondContact OH-O 3.37Å; L987-P992 HydrophobicContact CD1-CG 4.42Å; L987-P992 HydrophobicContact CD2-CG 4.13Å; E990-P992 VanDerWaalsContact O-CD 3.23Å; E990-P992 WeakPolarHBondContact O-CD 3.36Å; P992-L995 HydrophobicContact CB-CD2 3.83Å; P992-L995 HydrophobicContact CB-CG 4.5Å; P992-L995 HydrophobicContact CG-CD2 3.47Å; P992-L995 VanDerWaalsContact CG-CD2 3.47Å; P992-L995 HydrophobicContact CG-CG 4.44Å; P992-E1013 HydrophobicContact CB-CB 4.11Å; P992-E1013 HydrophobicContact CB-CG 3.69Å; P992-E1013 HydrophobicContact CG-CB 3.97Å; P992-E1013 HydrophobicContact CG-CG 4.07Å
993	R	86.7	Confident	84.3	Confident	185 Å²	185	59.4 Å²	59.4	70%	0.698	29%	0.287	S	S	*	.	S	Bend	trans	-67.9	-38	-179.7	-71	-172.8	177.5	-172	1.1	113.1	R964 L965	R964-R993 WeakPolarHBondContact CA-O 3.23Å; L965-R993 PolarHBondContact N-O 2.87Å
994	W	89.6	Confident	84.1	Confident	31 Å²	31	62 Å²	62	12%	0.117	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.7	-177.4	-67	94.1	0	0	0	109.5	R964 V973 I1014 L1019 L1032	R964-W994 HydrophobicContact CB-CD2 4.46Å; R964-W994 HydrophobicContact CB-CE3 4.06Å; R964-W994 HydrophobicContact CB-CH2 4.35Å; R964-W994 HydrophobicContact CB-CZ3 4.01Å; R964-W994 HydrophobicContact CG-CD2 4.18Å; R964-W994 HydrophobicContact CG-CE3 4.24Å; R964-W994 HydrophobicContact CG-CH2 4.15Å; R964-W994 HydrophobicContact CG-CZ2 4.08Å; R964-W994 HydrophobicContact CG-CZ3 4.24Å; V973-W994 HydrophobicContact CG2-CZ3 3.77Å; W994-I1014 HydrophobicContact CB-CD1 4.3Å; W994-I1014 HydrophobicContact CB-CG1 3.86Å; W994-I1014 WeakPolarHBondContact CB-O 3.41Å; W994-I1014 PolarHBondContact O-N 3.44Å; W994-L1019 HydrophobicContact CE3-CD1 4.39Å; W994-L1019 HydrophobicContact CZ3-CD1 4.41Å; W994-L1032 HydrophobicContact CH2-CD2 3.62Å; W994-L1032 HydrophobicContact CZ2-CD2 4.39Å; W994-L1032 HydrophobicContact CZ3-CD2 3.88Å
995	L	91.7	Very high	84.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.3	-174.6	-69.5	179.5	0	0	0	110	T962 A963 Y970 V981 L987 P992 M1008 V1011 I1012	T962-L995 WeakPolarHBondContact CA-O 3.46Å; A963-L995 PolarHBondContact N-O 2.68Å; A963-L995 PolarHBondContact O-N 2.88Å; Y970-L995 HydrophobicContact CD1-CD1 3.73Å; Y970-L995 HydrophobicContact CD1-CG 4.35Å; Y970-L995 HydrophobicContact CD2-CD1 4.33Å; Y970-L995 HydrophobicContact CE1-CB 4.45Å; Y970-L995 HydrophobicContact CE1-CD1 3.18Å; Y970-L995 HydrophobicContact CE1-CG 3.69Å; Y970-L995 HydrophobicContact CE2-CD1 3.83Å; Y970-L995 HydrophobicContact CG-CD1 4.28Å; Y970-L995 WeakPolarHBondContact OH-CD1 3.44Å; V981-L995 HydrophobicContact CG2-CD1 3.83Å; L987-L995 HydrophobicContact CD1-CD2 4.04Å; P992-L995 HydrophobicContact CB-CD2 3.83Å; P992-L995 HydrophobicContact CB-CG 4.5Å; P992-L995 HydrophobicContact CG-CD2 3.47Å; P992-L995 VanDerWaalsContact CG-CD2 3.47Å; P992-L995 HydrophobicContact CG-CG 4.44Å; L995-M1008 HydrophobicContact CD1-CE 4.34Å; L995-V1011 HydrophobicContact CB-CG1 3.9Å; L995-V1011 HydrophobicContact CD1-CG1 3.64Å; L995-V1011 HydrophobicContact CD2-CG1 3.45Å; L995-V1011 VanDerWaalsContact CD2-CG1 3.45Å; L995-V1011 HydrophobicContact CG-CG1 3.87Å; L995-I1012 WeakPolarHBondContact CA-O 3.37Å
996	I	92.8	Very high	84.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141	161.4	-69.7	-177.2	0	0	0	108.2	V954 T955 Y958 H961 T962 V1011 I1012 I1014	V954-I996 HydrophobicContact CG1-CG2 4.38Å; T955-I996 HydrophobicContact CG2-CD1 3.98Å; Y958-I996 VanDerWaalsContact CB-CG2 3.43Å; Y958-I996 HydrophobicContact CG-CG2 4.38Å; H961-I996 WeakPolarHBondContact O-CA 3.27Å; T962-I996 HydrophobicContact CG2-CD1 4.44Å; T962-I996 HydrophobicContact CG2-CG1 3.98Å; I996-V1011 CarbonylContact O-C 3.41Å; I996-V1011 VanDerWaalsContact O-CA 3.31Å; I996-V1011 WeakPolarHBondContact O-CA 3.49Å; I996-I1012 HydrophobicContact CB-CG2 3.81Å; I996-I1012 HydrophobicContact CG2-CG2 4.28Å; I996-I1012 PolarHBondContact N-O 3.05Å; I996-I1012 PolarHBondContact O-N 3.28Å; I996-I1014 HydrophobicContact CB-CG2 4.36Å; I996-I1014 HydrophobicContact CD1-CD1 3.96Å; I996-I1014 HydrophobicContact CD1-CG1 4.46Å; I996-I1014 HydrophobicContact CD1-CG2 3.67Å; I996-I1014 HydrophobicContact CG1-CD1 3.68Å; I996-I1014 HydrophobicContact CG1-CG1 4.02Å; I996-I1014 HydrophobicContact CG1-CG2 3.82Å
997	Y	91.2	Very high	84.7	Confident	12 Å²	12	65.5 Å²	65.5	5%	0.047	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.5	175.2	57.9	-93.8	0	0	0	110.7	H961 A963 L1000 M1008	H961-Y997 HydrophobicContact CB-CD1 4.33Å; H961-Y997 HydrophobicContact CB-CD2 3.71Å; H961-Y997 HydrophobicContact CB-CE1 4.1Å; H961-Y997 HydrophobicContact CB-CE2 3.39Å; H961-Y997 HydrophobicContact CB-CG 4.16Å; H961-Y997 WeakPolarHBondContact CB-O 3.42Å; H961-Y997 AromaticContact CD2-CE2 3.97Å; H961-Y997 AromaticContact CG-CD2 4Å; H961-Y997 AromaticContact CG-CE2 3.47Å; H961-Y997 VanDerWaalsContact CG-CE2 3.47Å; H961-Y997 AromaticContact ND1-CE2 3.85Å; H961-Y997 VanDerWaalsContact O-CD1 3.27Å; H961-Y997 WeakPolarHBondContact O-CD1 3.4Å; H961-Y997 WeakPolarHBondContact O-CE1 3.36Å; H961-Y997 PolarHBondContact O-N 2.82Å; H961-Y997 VanDerWaalsContact O-N 3.1Å; A963-Y997 HydrophobicContact CB-CD1 4.17Å; A963-Y997 HydrophobicContact CB-CE1 4.2Å; Y997-L1000 HydrophobicContact CD2-CD1 4.37Å; Y997-L1000 HydrophobicContact CD2-CD2 4.47Å; Y997-L1000 HydrophobicContact CD2-CG 3.81Å; Y997-L1000 HydrophobicContact CE1-CD1 4.47Å; Y997-L1000 HydrophobicContact CE2-CB 4.41Å; Y997-L1000 HydrophobicContact CE2-CD1 3.45Å; Y997-L1000 VanDerWaalsContact CE2-CD1 3.45Å; Y997-L1000 HydrophobicContact CE2-CD2 4.27Å; Y997-L1000 HydrophobicContact CE2-CG 3.37Å; Y997-L1000 WeakPolarHBondContact OH-CD1 3.46Å; Y997-M1008 HydrophobicContact CD1-CG 3.85Å; Y997-M1008 HydrophobicContact CD1-SD 3.45Å; Y997-M1008 WeakPolarHBondContact CD1-SD 3.37Å; Y997-M1008 HydrophobicContact CE1-SD 4.14Å; Y997-M1008 HydrophobicContact CG-CB 4.24Å; Y997-M1008 HydrophobicContact CG-CG 3.88Å; Y997-M1008 HydrophobicContact CG-SD 4.04Å
998	H	88.3	Confident	85	Confident	35 Å²	35	65.3 Å²	65.3	16%	0.162	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-54.1	175	-179.6	62.5	0	0	0	111	Y958 H961 R1009 Q1010	Y958-H998 AromaticContact CE1-ND1 3.35Å; Y958-H998 WeakPolarHBondContact CE1-ND1 3.45Å; Y958-H998 AromaticContact CZ-CE1 3.85Å; Y958-H998 AromaticContact CZ-ND1 3.32Å; Y958-H998 VanDerWaalsContact CZ-ND1 3.32Å; Y958-H998 PolarHBondContact OH-CE1 3.47Å; Y958-H998 PolarHBondContact OH-ND1 2.98Å; H961-H998 PolarHBondContact ND1-O 2.87Å; H998-R1009 PolarHBondContact N-O 3.09Å; H998-Q1010 HydrophobicContact CB-CB 3.76Å; H998-Q1010 PolarHBondContact CD2-OE1 3.29Å; H998-Q1010 PolarHBondContact N-O 3.03Å; H998-Q1010 VanDerWaalsContact N-O 3.13Å
999	E	85	Confident	85.3	Confident	48 Å²	48	63.3 Å²	63.3	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144	-176.7	65.3	-179.4	-165.6	0	0	111.3	V1001 R1009	E999-V1001 HydrophobicContact CG-CG2 4.09Å; E999-R1009 HydrophobicContact CG-CB 3.7Å; E999-R1009 HydrophobicContact CG-CG 4.44Å; E999-R1009 PolarHBondContact O-N 2.92Å; E999-R1009 WeakPolarHBondContact OE1-CD 3.41Å; E999-R1009 IonicContact OE1-NH1 3.93Å; E999-R1009 PolarHBondContact OE1-NH1 3.32Å
1000	L	85.2	Confident	85.9	Confident	20 Å²	20	56.1 Å²	56.1	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.3	167	-83.6	165	0	0	0	108.6	M717 V979 Y997 M1008	M717-L1000 HydrophobicContact CE-CD1 3.89Å; M717-L1000 HydrophobicContact CE-CD2 4.43Å; M717-L1000 HydrophobicContact CG-CB 4.17Å; M717-L1000 HydrophobicContact CG-CD1 4.22Å; V979-L1000 HydrophobicContact CB-CD2 4.2Å; V979-L1000 HydrophobicContact CG1-CD2 3.73Å; Y997-L1000 HydrophobicContact CD2-CD1 4.37Å; Y997-L1000 HydrophobicContact CD2-CD2 4.47Å; Y997-L1000 HydrophobicContact CD2-CG 3.81Å; Y997-L1000 HydrophobicContact CE1-CD1 4.47Å; Y997-L1000 HydrophobicContact CE2-CB 4.41Å; Y997-L1000 HydrophobicContact CE2-CD1 3.45Å; Y997-L1000 VanDerWaalsContact CE2-CD1 3.45Å; Y997-L1000 HydrophobicContact CE2-CD2 4.27Å; Y997-L1000 HydrophobicContact CE2-CG 3.37Å; Y997-L1000 WeakPolarHBondContact OH-CD1 3.46Å; L1000-M1008 HydrophobicContact CD2-CG 3.67Å
1001	V	82.5	Confident	86.5	Confident	27 Å²	27	50 Å²	50	16%	0.164	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.1	178.7	-179.3	0	0	0	0	109.2	E999 T1003 F1007 R1009	E999-V1001 HydrophobicContact CG-CG2 4.09Å; V1001-T1003 HydrophobicContact CG1-CG2 4.08Å; V1001-F1007 PolarHBondContact N-O 2.63Å; V1001-F1007 PolarHBondContact O-N 3.45Å; V1001-R1009 HydrophobicContact CG2-CG 4.47Å
1002	F	81.6	Confident	87	Confident	96 Å²	96	44.5 Å²	44.5	42%	0.421	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.1	170.7	-173.9	-99.4	0	0	0	110.1	E1006	F1002-E1006 HydrophobicContact CD2-CG 3.87Å; F1002-E1006 HydrophobicContact CE2-CG 4.39Å
1003	T	77.9	Confident	87.3	Confident	72 Å²	72	47.2 Å²	47.2	44%	0.442	22%	0.221	S	C	.	.	S	Bend	trans	-117.1	-99.9	168.2	59.1	0	0	0	0	109.5	V1001 K1005 F1007	V1001-T1003 HydrophobicContact CG1-CG2 4.08Å; T1003-K1005 PolarHBondContact N-O 3.02Å; T1003-F1007 WeakPolarHBondContact OG1-CD2 3.46Å; T1003-F1007 WeakPolarHBondContact OG1-CE2 3.4Å
1004	T	80.1	Confident	87.5	Confident	123 Å²	123	38.6 Å²	38.6	76%	0.755	19%	0.189	S	C	*	.	S	Bend	trans	-89.3	-27	167.5	54.3	0	0	0	0	111.7
1005	K	83.7	Confident	87.5	Confident	116 Å²	116	41.4 Å²	41.4	50%	0.504	21%	0.206	S	C	.	.	S	Bend	trans	-137	167	174.3	-64.4	-177.4	-179.3	178.1	0	108.6	F980 T1003 F1007	F980-K1005 HydrophobicContact CD2-CB 4.3Å; F980-K1005 HydrophobicContact CD2-CD 4.25Å; F980-K1005 HydrophobicContact CE2-CD 4.15Å; T1003-K1005 PolarHBondContact N-O 3.02Å; K1005-F1007 HydrophobicContact CB-CD2 4.42Å; K1005-F1007 HydrophobicContact CB-CE2 3.91Å; K1005-F1007 HydrophobicContact CB-CZ 4.13Å; K1005-F1007 VanDerWaalsContact O-CD2 3.25Å; K1005-F1007 WeakPolarHBondContact O-CD2 3.49Å; K1005-F1007 PolarHBondContact O-N 3.23Å
1006	E	86.9	Confident	87.3	Confident	49 Å²	49	43.6 Å²	43.6	23%	0.229	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	110.9	173.6	-64.2	170.7	-170	0	0	109.4	M717 V979 F980 F1002	M717-E1006 HydrophobicContact CE-CB 4.37Å; M717-E1006 VanDerWaalsContact CE-CD 3.5Å; M717-E1006 HydrophobicContact CE-CG 3.97Å; M717-E1006 WeakPolarHBondContact CE-OE2 3.32Å; M717-E1006 HydrophobicContact SD-CG 4.12Å; V979-E1006 HydrophobicContact CG1-CB 4.09Å; F980-E1006 PolarHBondContact N-O 3.48Å; F1002-E1006 HydrophobicContact CD2-CG 3.87Å; F1002-E1006 HydrophobicContact CE2-CG 4.39Å
1007	F	88.5	Confident	87	Confident	30 Å²	30	45.2 Å²	45.2	13%	0.132	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.4	179.1	-70.4	-74.5	0	0	0	111.7	F980 H982 V1001 T1003 K1005	F980-F1007 HydrophobicContact CB-CD1 3.94Å; F980-F1007 HydrophobicContact CB-CE1 4.03Å; F980-F1007 CarbonylContact O-C 3.49Å; F980-F1007 VanDerWaalsContact O-CA 3.28Å; F980-F1007 WeakPolarHBondContact O-CA 3.35Å; H982-F1007 HydrophobicContact CB-CB 4.2Å; H982-F1007 HydrophobicContact CB-CD1 4.5Å; V1001-F1007 PolarHBondContact N-O 2.63Å; V1001-F1007 PolarHBondContact O-N 3.45Å; T1003-F1007 WeakPolarHBondContact OG1-CD2 3.46Å; T1003-F1007 WeakPolarHBondContact OG1-CE2 3.4Å; K1005-F1007 HydrophobicContact CB-CD2 4.42Å; K1005-F1007 HydrophobicContact CB-CE2 3.91Å; K1005-F1007 HydrophobicContact CB-CZ 4.13Å; K1005-F1007 VanDerWaalsContact O-CD2 3.25Å; K1005-F1007 WeakPolarHBondContact O-CD2 3.49Å; K1005-F1007 PolarHBondContact O-N 3.23Å
1008	M	89.4	Confident	86.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.4	167.7	-65.2	179.6	-63.9	0	0	109.3	A963 Y970 V979 F980 V981 H982 L995 Y997 L1000 V1011	A963-M1008 HydrophobicContact CB-CE 4.18Å; A963-M1008 HydrophobicContact CB-SD 3.43Å; A963-M1008 WeakPolarHBondContact CB-SD 3.37Å; Y970-M1008 HydrophobicContact CD1-CE 4.4Å; Y970-M1008 HydrophobicContact CD2-CE 3.93Å; Y970-M1008 HydrophobicContact CG-CE 3.73Å; V979-M1008 HydrophobicContact CB-CG 4.05Å; V979-M1008 HydrophobicContact CB-SD 4.26Å; V979-M1008 HydrophobicContact CG2-CE 3.87Å; V979-M1008 HydrophobicContact CG2-CG 3.97Å; V979-M1008 HydrophobicContact CG2-SD 3.52Å; V979-M1008 VanDerWaalsContact CG2-SD 3.52Å; F980-M1008 PolarHBondContact O-N 3.35Å; V981-M1008 HydrophobicContact CG2-CE 3.76Å; H982-M1008 WeakPolarHBondContact CB-O 3.49Å; H982-M1008 PolarHBondContact N-O 2.95Å; L995-M1008 HydrophobicContact CD1-CE 4.34Å; Y997-M1008 HydrophobicContact CD1-CG 3.85Å; Y997-M1008 HydrophobicContact CD1-SD 3.45Å; Y997-M1008 WeakPolarHBondContact CD1-SD 3.37Å; Y997-M1008 HydrophobicContact CE1-SD 4.14Å; Y997-M1008 HydrophobicContact CG-CB 4.24Å; Y997-M1008 HydrophobicContact CG-CG 3.88Å; Y997-M1008 HydrophobicContact CG-SD 4.04Å; L1000-M1008 HydrophobicContact CD2-CG 3.67Å; M1008-V1011 HydrophobicContact CB-CG2 3.98Å
1009	R	87.8	Confident	86.8	Confident	56 Å²	56	44.1 Å²	44.1	21%	0.211	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.6	174.1	-66.3	175.8	171.4	-175.7	-1.6	110.9	N862 H982 H998 E999 V1001	N862-R1009 PolarHBondContact ND2-NH1 3.23Å; H982-R1009 HydrophobicContact CB-CG 3.96Å; H998-R1009 PolarHBondContact N-O 3.09Å; E999-R1009 HydrophobicContact CG-CB 3.7Å; E999-R1009 HydrophobicContact CG-CG 4.44Å; E999-R1009 PolarHBondContact O-N 2.92Å; E999-R1009 WeakPolarHBondContact OE1-CD 3.41Å; E999-R1009 IonicContact OE1-NH1 3.93Å; E999-R1009 PolarHBondContact OE1-NH1 3.32Å; V1001-R1009 HydrophobicContact CG2-CG 4.47Å
1010	Q	88.1	Confident	86.9	Confident	22 Å²	22	45 Å²	45	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.7	79.9	-177.8	-67.3	167.9	-14.9	0	0	111.2	L858 N861 D888 H889 H998	L858-Q1010 HydrophobicContact CD2-CB 4.47Å; L858-Q1010 VanDerWaalsContact CD2-CD 3.4Å; L858-Q1010 HydrophobicContact CD2-CG 4.36Å; N861-Q1010 VanDerWaalsContact CG-NE2 3.34Å; N861-Q1010 PolarHBondContact OD1-NE2 3.44Å; D888-Q1010 HydrophobicContact CB-CB 4.41Å; D888-Q1010 VanDerWaalsContact OD2-CA 3.31Å; D888-Q1010 WeakPolarHBondContact OD2-CA 3.46Å; H889-Q1010 PolarHBondContact CE1-O 3.42Å; H998-Q1010 HydrophobicContact CB-CB 3.76Å; H998-Q1010 PolarHBondContact CD2-OE1 3.29Å; H998-Q1010 PolarHBondContact N-O 3.03Å; H998-Q1010 VanDerWaalsContact N-O 3.13Å
1011	V	91.8	Very high	86.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	145	-170.8	177.9	0	0	0	0	109.9	G887 D888 V981 L987 L995 I996 M1008	G887-V1011 CarbonylContact C-O 3.52Å; G887-V1011 VanDerWaalsContact CA-O 3.28Å; G887-V1011 WeakPolarHBondContact CA-O 3.31Å; D888-V1011 PolarHBondContact N-O 3.01Å; D888-V1011 PolarHBondContact OD2-N 3.43Å; V981-V1011 HydrophobicContact CG1-CG2 4.33Å; L987-V1011 HydrophobicContact CD1-CB 4.26Å; L987-V1011 HydrophobicContact CD1-CG1 3.81Å; L995-V1011 HydrophobicContact CB-CG1 3.9Å; L995-V1011 HydrophobicContact CD1-CG1 3.64Å; L995-V1011 HydrophobicContact CD2-CG1 3.45Å; L995-V1011 VanDerWaalsContact CD2-CG1 3.45Å; L995-V1011 HydrophobicContact CG-CG1 3.87Å; I996-V1011 CarbonylContact O-C 3.41Å; I996-V1011 VanDerWaalsContact O-CA 3.31Å; I996-V1011 WeakPolarHBondContact O-CA 3.49Å; M1008-V1011 HydrophobicContact CB-CG2 3.98Å
1012	I	92.3	Very high	87	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.7	172.3	-161.9	174	0	0	0	110.8	G886 H889 R951 V954 L995 I996 I1014	G886-I1012 VanDerWaalsContact O-CG1 3.32Å; G886-I1012 WeakPolarHBondContact O-CG1 3.42Å; H889-I1012 HydrophobicContact CB-CD1 4.06Å; R951-I1012 HydrophobicContact CB-CD1 4.32Å; R951-I1012 HydrophobicContact CG-CD1 3.66Å; R951-I1012 HydrophobicContact CG-CG1 4.09Å; V954-I1012 HydrophobicContact CB-CD1 4.47Å; V954-I1012 HydrophobicContact CG1-CG2 3.91Å; V954-I1012 HydrophobicContact CG2-CD1 4.25Å; L995-I1012 WeakPolarHBondContact CA-O 3.37Å; I996-I1012 HydrophobicContact CB-CG2 3.81Å; I996-I1012 HydrophobicContact CG2-CG2 4.28Å; I996-I1012 PolarHBondContact N-O 3.05Å; I996-I1012 PolarHBondContact O-N 3.28Å; I1012-I1014 HydrophobicContact CG2-CG2 4.37Å
1013	E	92.3	Very high	87.2	Confident	69 Å²	69	45.5 Å²	45.5	32%	0.322	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137.3	175.5	175.9	-176.3	-144.1	0	0	111.1	G886 R951 P992	G886-E1013 PolarHBondContact O-N 3.22Å; R951-E1013 WeakPolarHBondContact CD-O 3.32Å; R951-E1013 IonicContact CZ-OE2 2.63Å; R951-E1013 IonicContact NH1-OE2 2.82Å; R951-E1013 PolarHBondContact NH1-OE2 3.5Å; R951-E1013 IonicContact NH2-OE2 3.64Å; P992-E1013 HydrophobicContact CB-CB 4.11Å; P992-E1013 HydrophobicContact CB-CG 3.69Å; P992-E1013 HydrophobicContact CG-CB 3.97Å; P992-E1013 HydrophobicContact CG-CG 4.07Å
1014	I	91.5	Very high	87.5	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	25%	0.247	C	C	.	.			trans	-134.6	159	178.4	58.9	149.1	0	0	0	113	T955 T962 W994 I996 I1012 W1018 L1019	T955-I1014 WeakPolarHBondContact OG1-CG2 3.38Å; T962-I1014 HydrophobicContact CG2-CD1 4.43Å; W994-I1014 HydrophobicContact CB-CD1 4.3Å; W994-I1014 HydrophobicContact CB-CG1 3.86Å; W994-I1014 WeakPolarHBondContact CB-O 3.41Å; W994-I1014 PolarHBondContact O-N 3.44Å; I996-I1014 HydrophobicContact CB-CG2 4.36Å; I996-I1014 HydrophobicContact CD1-CD1 3.96Å; I996-I1014 HydrophobicContact CD1-CG1 4.46Å; I996-I1014 HydrophobicContact CD1-CG2 3.67Å; I996-I1014 HydrophobicContact CG1-CD1 3.68Å; I996-I1014 HydrophobicContact CG1-CG1 4.02Å; I996-I1014 HydrophobicContact CG1-CG2 3.82Å; I1012-I1014 HydrophobicContact CG2-CG2 4.37Å; I1014-W1018 HydrophobicContact CB-CE3 4.21Å; I1014-W1018 HydrophobicContact CB-CZ3 4.32Å; I1014-W1018 HydrophobicContact CG2-CE3 4.48Å; I1014-W1018 HydrophobicContact CG2-CZ3 4.48Å; I1014-L1019 HydrophobicContact CD1-CD1 3.91Å; I1014-L1019 HydrophobicContact CD1-CD2 4.07Å; I1014-L1019 HydrophobicContact CD1-CG 3.99Å
1015	D	89.9	Confident	87.7	Confident	91 Å²	91	45.6 Å²	45.6	49%	0.487	24%	0.236	S	C	.	.			trans	-93.1	140.6	167.6	-72.7	-35	0	0	0	111.5	G1017 W1018	D1015-G1017 PolarHBondContact O-N 3.4Å; D1015-W1018 HydrophobicContact CB-CD2 3.85Å; D1015-W1018 HydrophobicContact CB-CE3 4.25Å; D1015-W1018 HydrophobicContact CB-CG 4.25Å; D1015-W1018 HydrophobicContact CB-CH2 4.34Å; D1015-W1018 HydrophobicContact CB-CZ2 3.96Å; D1015-W1018 HydrophobicContact CB-CZ3 4.47Å; D1015-W1018 PolarHBondContact O-N 3.26Å; D1015-W1018 WeakPolarHBondContact OD2-CZ2 3.34Å
1016	S	86.1	Confident	87.7	Confident	46 Å²	46	41.4 Å²	41.4	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-64.2	-26.1	-178.9	63.1	0	0	0	0	113.6	W1018 L1019	S1016-W1018 VanDerWaalsContact C-N 3.29Å; S1016-W1018 PolarHBondContact O-N 3.4Å; S1016-L1019 PolarHBondContact O-N 2.82Å
1017	G	86.4	Confident	87.6	Confident	33 Å²	33	39.1 Å²	39.1	34%	0.34	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-34	177.6	0	0	0	0	0	112.7	D1015 L1019 L1020 E1021	D1015-G1017 PolarHBondContact O-N 3.4Å; G1017-L1019 VanDerWaalsContact C-N 3.29Å; G1017-L1019 PolarHBondContact O-N 3.23Å; G1017-L1020 PolarHBondContact O-N 3.06Å; G1017-E1021 PolarHBondContact O-N 2.86Å
1018	W	89.8	Confident	87.3	Confident	24 Å²	24	44.3 Å²	44.3	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-29.3	-177.9	-54.5	-17.9	0	0	0	112.4	V948 R951 K952 T955 I1014 D1015 S1016 L1020 E1021 V1022	V948-W1018 HydrophobicContact CG1-CH2 4.17Å; V948-W1018 HydrophobicContact CG1-CZ2 3.78Å; R951-W1018 HydrophobicContact CB-CH2 4.15Å; R951-W1018 HydrophobicContact CB-CZ3 3.62Å; K952-W1018 HydrophobicContact CG-CD2 3.89Å; K952-W1018 HydrophobicContact CG-CE3 4.16Å; K952-W1018 HydrophobicContact CG-CG 4.16Å; T955-W1018 HydrophobicContact CG2-CB 4.3Å; I1014-W1018 HydrophobicContact CB-CE3 4.21Å; I1014-W1018 HydrophobicContact CB-CZ3 4.32Å; I1014-W1018 HydrophobicContact CG2-CE3 4.48Å; I1014-W1018 HydrophobicContact CG2-CZ3 4.48Å; D1015-W1018 HydrophobicContact CB-CD2 3.85Å; D1015-W1018 HydrophobicContact CB-CE3 4.25Å; D1015-W1018 HydrophobicContact CB-CG 4.25Å; D1015-W1018 HydrophobicContact CB-CH2 4.34Å; D1015-W1018 HydrophobicContact CB-CZ2 3.96Å; D1015-W1018 HydrophobicContact CB-CZ3 4.47Å; D1015-W1018 PolarHBondContact O-N 3.26Å; D1015-W1018 WeakPolarHBondContact OD2-CZ2 3.34Å; S1016-W1018 VanDerWaalsContact C-N 3.29Å; S1016-W1018 PolarHBondContact O-N 3.4Å; W1018-L1020 VanDerWaalsContact C-N 3.28Å; W1018-L1020 PolarHBondContact O-N 3.26Å; W1018-E1021 PolarHBondContact O-N 2.86Å; W1018-V1022 VanDerWaalsContact O-CB 3.26Å; W1018-V1022 WeakPolarHBondContact O-CB 3.43Å; W1018-V1022 VanDerWaalsContact O-CG2 3.24Å; W1018-V1022 WeakPolarHBondContact O-CG2 3.38Å; W1018-V1022 PolarHBondContact O-N 3.49Å
1019	L	86.8	Confident	86.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-34.3	175.9	-66.7	174.4	0	0	0	112.3	T955 F959 T962 W994 I1014 S1016 G1017 A1023 Y1027 L1032	T955-L1019 HydrophobicContact CG2-CD2 3.73Å; F959-L1019 HydrophobicContact CB-CD2 4.13Å; T962-L1019 HydrophobicContact CG2-CD1 4.01Å; T962-L1019 HydrophobicContact CG2-CD2 3.62Å; T962-L1019 HydrophobicContact CG2-CG 4.49Å; W994-L1019 HydrophobicContact CE3-CD1 4.39Å; W994-L1019 HydrophobicContact CZ3-CD1 4.41Å; I1014-L1019 HydrophobicContact CD1-CD1 3.91Å; I1014-L1019 HydrophobicContact CD1-CD2 4.07Å; I1014-L1019 HydrophobicContact CD1-CG 3.99Å; S1016-L1019 PolarHBondContact O-N 2.82Å; G1017-L1019 VanDerWaalsContact C-N 3.29Å; G1017-L1019 PolarHBondContact O-N 3.23Å; L1019-A1023 CarbonylContact O-C 3.59Å; L1019-A1023 PolarHBondContact O-N 3.12Å; L1019-Y1027 HydrophobicContact CB-CD2 3.92Å; L1019-Y1027 HydrophobicContact CB-CE2 4.3Å; L1019-Y1027 HydrophobicContact CB-CG 4.43Å; L1019-Y1027 HydrophobicContact CD1-CE2 4.46Å; L1019-Y1027 HydrophobicContact CD2-CD2 4.36Å; L1019-Y1027 HydrophobicContact CD2-CE2 3.91Å; L1019-Y1027 HydrophobicContact CG-CE2 4.46Å; L1019-L1032 HydrophobicContact CB-CD1 4.37Å; L1019-L1032 HydrophobicContact CB-CD2 4.5Å; L1019-L1032 HydrophobicContact CD1-CD2 3.89Å
1020	L	87.1	Confident	85.8	Confident	67 Å²	67	53.1 Å²	53.1	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-74.6	-36.7	174.7	-70.4	168.8	0	0	0	112.2	G1017 W1018 L1032	G1017-L1020 PolarHBondContact O-N 3.06Å; W1018-L1020 VanDerWaalsContact C-N 3.28Å; W1018-L1020 PolarHBondContact O-N 3.26Å; L1020-L1032 HydrophobicContact CD1-CD1 3.81Å; L1020-L1032 HydrophobicContact CD2-CD1 3.56Å; L1020-L1032 HydrophobicContact CG-CD1 3.33Å
1021	E	85.1	Confident	84.9	Confident	120 Å²	120	55.9 Å²	55.9	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-65.3	-43.9	176.7	-69.2	174.6	-169.6	0	0	111.3	K952 G1017 W1018	K952-E1021 IonicContact NZ-OE2 3.97Å; K952-E1021 PolarHBondContact NZ-OE2 3.3Å; G1017-E1021 PolarHBondContact O-N 2.86Å; W1018-E1021 PolarHBondContact O-N 2.86Å
1022	V	84.4	Confident	83.9	Confident	33 Å²	33	56.7 Å²	56.7	20%	0.2	29%	0.294	C	S	.	.	H	α-helix	trans	-82.6	-42.2	-171.5	165.4	0	0	0	0	112.7	T955 A956 F959 W1018	T955-V1022 HydrophobicContact CG2-CG2 4.27Å; A956-V1022 VanDerWaalsContact CA-CG1 3.45Å; A956-V1022 HydrophobicContact CB-CG1 4.03Å; F959-V1022 HydrophobicContact CD1-CG1 4.39Å; W1018-V1022 VanDerWaalsContact O-CB 3.26Å; W1018-V1022 WeakPolarHBondContact O-CB 3.43Å; W1018-V1022 VanDerWaalsContact O-CG2 3.24Å; W1018-V1022 WeakPolarHBondContact O-CG2 3.38Å; W1018-V1022 PolarHBondContact O-N 3.49Å
1023	A	85	Confident	82.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.32	C	S	.	.			trans	-137.7	66.1	-172.6	0	0	0	0	0	112.1	F959 L1019 H1025 Y1026 Y1027	F959-A1023 HydrophobicContact CB-CB 4.44Å; F959-A1023 HydrophobicContact CD1-CB 4.27Å; F959-A1023 HydrophobicContact CD2-CB 3.75Å; F959-A1023 HydrophobicContact CE2-CB 4.07Å; F959-A1023 HydrophobicContact CG-CB 3.89Å; F959-A1023 HydrophobicContact CZ-CB 4.45Å; L1019-A1023 CarbonylContact O-C 3.59Å; L1019-A1023 PolarHBondContact O-N 3.12Å; A1023-H1025 PolarHBondContact O-N 2.96Å; A1023-Y1026 PolarHBondContact O-N 3.36Å; A1023-Y1026 VanDerWaalsContact O-N 3.16Å; A1023-Y1027 HydrophobicContact CB-CD2 4.44Å; A1023-Y1027 PolarHBondContact O-N 3.36Å
1024	P	84.4	Confident	80.7	Confident	86 Å²	86	61.1 Å²	61.1	56%	0.558	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.8	-179.5	27.4	-35	0	0	0	113.4
1025	H	83.6	Confident	78.9	Confident	112 Å²	112	65.4 Å²	65.4	52%	0.519	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-30.8	175	57.7	-62.3	0	0	0	112.6	A809 A1023	A809-H1025 PolarHBondContact O-NE2 2.66Å; A1023-H1025 PolarHBondContact O-N 2.96Å
1026	Y	84.1	Confident	77.2	Confident	27 Å²	27	65.4 Å²	65.4	11%	0.106	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-40.6	-176.2	-168.7	-102	0	0	0	112.8	A809 F959 Y960 K974 A1023	A809-Y1026 HydrophobicContact CB-CD2 4.28Å; F959-Y1026 AromaticContact CD2-CD1 3.95Å; F959-Y1026 HydrophobicContact CD2-CD1 3.95Å; F959-Y1026 HydrophobicContact CD2-CE1 4.47Å; F959-Y1026 HydrophobicContact CD2-CG 4.25Å; F959-Y1026 HydrophobicContact CE2-CD1 4.07Å; F959-Y1026 HydrophobicContact CE2-CD2 4.41Å; F959-Y1026 AromaticContact CE2-CG 3.94Å; F959-Y1026 HydrophobicContact CE2-CG 3.94Å; Y960-Y1026 HydrophobicContact CD2-CE1 4.33Å; Y960-Y1026 AromaticContact CD2-CE2 3.92Å; Y960-Y1026 HydrophobicContact CD2-CE2 3.92Å; Y960-Y1026 AromaticContact CD2-CZ 3.6Å; Y960-Y1026 VanDerWaalsContact CD2-OH 3.27Å; Y960-Y1026 WeakPolarHBondContact CD2-OH 3.4Å; Y960-Y1026 AromaticContact CE2-CE2 3.7Å; Y960-Y1026 HydrophobicContact CE2-CE2 3.7Å; Y960-Y1026 AromaticContact CE2-CZ 3.6Å; Y960-Y1026 WeakPolarHBondContact CE2-OH 3.45Å; K974-Y1026 HydrophobicContact CD-CE1 4.35Å; K974-Y1026 VanDerWaalsContact CE-CE1 3.42Å; K974-Y1026 HydrophobicContact CG-CE1 3.95Å; K974-Y1026 WeakPolarHBondContact CG-OH 3.49Å; K974-Y1026 PolarHBondContact NZ-O 2.89Å; A1023-Y1026 PolarHBondContact O-N 3.36Å; A1023-Y1026 VanDerWaalsContact O-N 3.16Å
1027	Y	84.5	Confident	75.4	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.008	37%	0.368	C	S	.	.			trans	-106.1	130.5	180	-70.6	-66.9	0	0	0	112.2	F959 T962 V973 L1019 A1023 L1032	F959-Y1027 HydrophobicContact CB-CE2 4.18Å; F959-Y1027 HydrophobicContact CD2-CE2 4.14Å; F959-Y1027 WeakPolarHBondContact O-CE2 3.36Å; F959-Y1027 PolarHBondContact O-OH 3.47Å; T962-Y1027 PolarHBondContact OG1-OH 2.87Å; V973-Y1027 HydrophobicContact CB-CE1 4.15Å; V973-Y1027 HydrophobicContact CG1-CD1 4.3Å; V973-Y1027 HydrophobicContact CG1-CE1 3.71Å; L1019-Y1027 HydrophobicContact CB-CD2 3.92Å; L1019-Y1027 HydrophobicContact CB-CE2 4.3Å; L1019-Y1027 HydrophobicContact CB-CG 4.43Å; L1019-Y1027 HydrophobicContact CD1-CE2 4.46Å; L1019-Y1027 HydrophobicContact CD2-CD2 4.36Å; L1019-Y1027 HydrophobicContact CD2-CE2 3.91Å; L1019-Y1027 HydrophobicContact CG-CE2 4.46Å; A1023-Y1027 HydrophobicContact CB-CD2 4.44Å; A1023-Y1027 PolarHBondContact O-N 3.36Å; Y1027-L1032 HydrophobicContact CD1-CD2 4.39Å
1028	K	82.8	Confident	73.6	Confident	138 Å²	138	73.4 Å²	73.4	60%	0.6	39%	0.385	S	S	*	.			trans	-101	147.9	171.4	-65.8	177.9	-178	174	0	110	K1030 E1031 L1032	K1028-K1030 PolarHBondContact O-N 3.33Å; K1028-K1030 VanDerWaalsContact O-N 3.1Å; K1028-E1031 HydrophobicContact CB-CG 4.44Å; K1028-E1031 WeakPolarHBondContact O-CB 3.4Å; K1028-E1031 PolarHBondContact O-N 3.3Å; K1028-L1032 PolarHBondContact O-N 2.9Å
1029	S	74.7	Confident	71.4	Confident	69 Å²	69	81.8 Å²	81.8	48%	0.483	42%	0.422	S	S	.	.	H	α-helix	trans	-50.9	-38.7	177.5	52.6	0	0	0	0	113.1	E1031 L1032 E1033	S1029-E1031 VanDerWaalsContact C-N 3.28Å; S1029-E1031 PolarHBondContact O-N 2.96Å; S1029-L1032 PolarHBondContact O-N 2.97Å; S1029-E1033 WeakPolarHBondContact O-CG 3.47Å; S1029-E1033 PolarHBondContact O-N 3.09Å
1030	K	71.1	Confident	69.3	Low	173 Å²	173	89.3 Å²	89.3	75%	0.752	46%	0.459	S	S	*	.	H	α-helix	trans	-62	-28.4	177	-67.2	-176.5	-179.4	177.3	0	114.7	K1028	K1028-K1030 PolarHBondContact O-N 3.33Å; K1028-K1030 VanDerWaalsContact O-N 3.1Å
1031	E	70.4	Confident	67.4	Low	79 Å²	79	91.6 Å²	91.6	37%	0.369	48%	0.478	S	S	.	.	H	α-helix	trans	-80.8	-27.1	179.9	-63.8	178.3	-175.9	0	0	111.5	K974 K1028 S1029	K974-E1031 IonicContact NZ-OE1 2.95Å; K974-E1031 PolarHBondContact NZ-OE1 3.06Å; K974-E1031 IonicContact NZ-OE2 2.85Å; K974-E1031 PolarHBondContact NZ-OE2 3.22Å; K1028-E1031 HydrophobicContact CB-CG 4.44Å; K1028-E1031 WeakPolarHBondContact O-CB 3.4Å; K1028-E1031 PolarHBondContact O-N 3.3Å; S1029-E1031 VanDerWaalsContact C-N 3.28Å; S1029-E1031 PolarHBondContact O-N 2.96Å
1032	L	69	Low	65.6	Low	17 Å²	17	97.7 Å²	97.7	9%	0.089	50%	0.495	C	S	.	.	H	α-helix	trans	-90.1	-16.8	177.5	-61.5	170.1	0	0	0	112.4	W994 L1019 L1020 Y1027 K1028 S1029 D1034	W994-L1032 HydrophobicContact CH2-CD2 3.62Å; W994-L1032 HydrophobicContact CZ2-CD2 4.39Å; W994-L1032 HydrophobicContact CZ3-CD2 3.88Å; L1019-L1032 HydrophobicContact CB-CD1 4.37Å; L1019-L1032 HydrophobicContact CB-CD2 4.5Å; L1019-L1032 HydrophobicContact CD1-CD2 3.89Å; L1020-L1032 HydrophobicContact CD1-CD1 3.81Å; L1020-L1032 HydrophobicContact CD2-CD1 3.56Å; L1020-L1032 HydrophobicContact CG-CD1 3.33Å; Y1027-L1032 HydrophobicContact CD1-CD2 4.39Å; K1028-L1032 PolarHBondContact O-N 2.9Å; S1029-L1032 PolarHBondContact O-N 2.97Å; L1032-D1034 PolarHBondContact O-N 2.93Å
1033	E	63.1	Low	63.8	Low	116 Å²	116	105.4 Å²	105.4	54%	0.542	53%	0.526	S	S	.	.	S	Bend	trans	-66.7	122.9	174	-86	-179	-160.2	0	0	111.8	S1029 S1035	S1029-E1033 WeakPolarHBondContact O-CG 3.47Å; S1029-E1033 PolarHBondContact O-N 3.09Å; E1033-S1035 PolarHBondContact O-N 3.44Å
1034	D	55.8	Low	62.3	Low	47 Å²	47	114.3 Å²	114.3	25%	0.251	57%	0.568	S	S	.	*			trans	-81.1	111.3	-172	-164.6	31.8	0	0	0	111.9	R964 L1032 S1036 S1037	R964-D1034 IonicContact CZ-OD1 3.77Å; R964-D1034 IonicContact NH1-OD1 3.86Å; R964-D1034 PolarHBondContact NH1-OD1 2.72Å; R964-D1034 VanDerWaalsContact NH1-OD1 3.12Å; L1032-D1034 PolarHBondContact O-N 2.93Å; D1034-S1036 PolarHBondContact O-N 3.02Å; D1034-S1036 VanDerWaalsContact O-N 3.15Å; D1034-S1036 PolarHBondContact OD1-OG 3.49Å; D1034-S1036 PolarHBondContact OD2-OG 3.4Å; D1034-S1037 PolarHBondContact O-N 2.97Å; D1034-S1037 PolarHBondContact O-OG 3.25Å
1035	S	53.5	Low	60.8	Low	94 Å²	94	113.3 Å²	113.3	66%	0.657	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-20	175.9	56.6	0	0	0	0	113.2	E1033	E1033-S1035 PolarHBondContact O-N 3.44Å
1036	S	53.3	Low	59.5	Low	91 Å²	91	114.7 Å²	114.7	64%	0.636	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-21.3	173	20.4	0	0	0	0	114.4	D1034	D1034-S1036 PolarHBondContact O-N 3.02Å; D1034-S1036 VanDerWaalsContact O-N 3.15Å; D1034-S1036 PolarHBondContact OD1-OG 3.49Å; D1034-S1036 PolarHBondContact OD2-OG 3.4Å
1037	S	48.3	Very low	58.4	Low	88 Å²	88	116.4 Å²	116.4	62%	0.615	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-12.2	-179.8	70.2	0	0	0	0	113.4	D1034 K1039	D1034-S1037 PolarHBondContact O-N 2.97Å; D1034-S1037 PolarHBondContact O-OG 3.25Å; S1037-K1039 PolarHBondContact O-N 2.81Å
1038	K	48.8	Very low	57.1	Low	159 Å²	159	127.3 Å²	127.3	69%	0.691	64%	0.639	S	S	*	*			trans	-67.9	95.6	166.4	-81.6	179.9	179.5	169.5	0	108.9	M1040	K1038-M1040 PolarHBondContact O-N 2.83Å; K1038-M1040 VanDerWaalsContact O-N 3.09Å
1039	K	44.4	Very low	56	Low	199 Å²	199	129.8 Å²	129.8	87%	0.865	65%	0.653	S	S	*	*			trans	-44.7	121.3	153.7	-85.4	178.6	176.7	172	0	106.3	S1037	S1037-K1039 PolarHBondContact O-N 2.81Å
1040	M	41.4	Very low	55.1	Low	158 Å²	158	132.9 Å²	132.9	78%	0.778	66%	0.66	S	S	*	*			trans	-43.3	128.9	171.1	-81.8	177.8	48.3	0	0	107.9	K1038 R1042	K1038-M1040 PolarHBondContact O-N 2.83Å; K1038-M1040 VanDerWaalsContact O-N 3.09Å; M1040-R1042 PolarHBondContact O-N 2.83Å
1041	P	48	Very low	54.2	Low	115 Å²	115	130.1 Å²	130.1	75%	0.747	65%	0.652	S	S	*	*			trans	-53.3	122.2	171.5	18.5	-26.4	0	0	0	106.3	K1043	P1041-K1043 PolarHBondContact O-N 2.98Å
1042	R	47	Very low	53.2	Low	248 Å²	248	133.4 Å²	133.4	94%	0.936	71%	0.707	S	S	*	*			trans	-51.3	107.7	173.6	-87	-179.7	159.9	178.8	-5.8	105.3	M1040 Q1044	M1040-R1042 PolarHBondContact O-N 2.83Å; R1042-Q1044 VanDerWaalsContact C-N 3.31Å; R1042-Q1044 PolarHBondContact O-N 2.99Å
1043	K	47.8	Very low	52.5	Low	195 Å²	195	139.2 Å²	139.2	85%	0.848	74%	0.738	S	S	*	*			trans	-54.9	106.2	167.8	-88.2	-175.9	174.3	-179.6	0	104.8	P1041 G1045	P1041-K1043 PolarHBondContact O-N 2.98Å; K1043-G1045 PolarHBondContact O-N 2.68Å
1044	Q	51.8	Low	51.9	Low	187 Å²	187	140.4 Å²	140.4	87%	0.874	75%	0.748	S	S	*	*			trans	-59.7	109.6	165.4	-149.9	169.1	14.1	0	0	103.7	R1042 K1046	R1042-Q1044 VanDerWaalsContact C-N 3.31Å; R1042-Q1044 PolarHBondContact O-N 2.99Å; Q1044-K1046 PolarHBondContact O-N 2.93Å; Q1044-K1046 VanDerWaalsContact O-N 3.17Å
1045	G	52.6	Low	51.7	Low	66 Å²	66	145.6 Å²	145.6	68%	0.68	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-56.1	124.6	179	0	0	0	0	0	107.4	K1043 A1047	K1043-G1045 PolarHBondContact O-N 2.68Å; G1045-A1047 PolarHBondContact O-N 2.93Å
1046	K	57.7	Low	51.6	Low	140 Å²	140	148.6 Å²	148.6	61%	0.609	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-53.5	127.4	172.1	-73.8	-171.2	170.8	-167.2	0	107.8	Q1044 E1050 L1051	Q1044-K1046 PolarHBondContact O-N 2.93Å; Q1044-K1046 VanDerWaalsContact O-N 3.17Å; K1046-E1050 HydrophobicContact CB-CB 4.49Å; K1046-L1051 HydrophobicContact CB-CD1 4.24Å; K1046-L1051 HydrophobicContact CB-CG 4.46Å
1047	A	60.7	Low	51.5	Low	63 Å²	63	152.3 Å²	152.3	52%	0.521	79%	0.792	S	S	.	*	P	Polyproline II helix	trans	-59.8	148.9	173.7	0	0	0	0	0	108.9	G1045 E1049 E1050	G1045-A1047 PolarHBondContact O-N 2.93Å; A1047-E1049 PolarHBondContact O-N 3.17Å; A1047-E1050 PolarHBondContact O-N 3.21Å
1048	R	56.3	Low	51.7	Low	232 Å²	232	156.5 Å²	156.5	88%	0.875	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-14.6	-175.3	-165.1	176.7	170.8	-174.5	-3.3	113.8
1049	E	60.7	Low	51.9	Low	189 Å²	189	156.4 Å²	156.4	88%	0.883	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-19.4	174.6	-68.3	177.1	163.7	0	0	113.6	A1047	A1047-E1049 PolarHBondContact O-N 3.17Å
1050	E	54.7	Low	52.5	Low	135 Å²	135	153.1 Å²	153.1	63%	0.631	81%	0.808	S	S	*	*	S	Bend	trans	-98.3	-0.5	177.2	-67	-171.9	168.5	0	0	113.8	K1046 A1047	K1046-E1050 HydrophobicContact CB-CB 4.49Å; A1047-E1050 PolarHBondContact O-N 3.21Å
1051	L	52	Low	53.4	Low	115 Å²	115	152.7 Å²	152.7	60%	0.602	81%	0.81	S	S	*	*			trans	-122.1	81.3	173	-71.1	165.9	0	0	0	105.9	K1046	K1046-L1051 HydrophobicContact CB-CD1 4.24Å; K1046-L1051 HydrophobicContact CB-CG 4.46Å
1052	G	51.4	Low	53.9	Low	147 Å²	147	156.1 Å²	156.1	100%	1.515	82%	0.816	S	S	*	*			trans	-43.8	0	-170.6	0	0	0	0	0	116.4

Retrieved 1,052 of 1,052 residues in 568.7 ms (Link to these results)

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