ERBB2_HUMAN Loading...

Receptor tyrosine-protein kinase erbB-2

Protein tyrosine kinase that is part of several cell surface receptor complexes, but that apparently needs a coreceptor for ligand binding. Essential component of a neuregulin-receptor complex, although neuregulins do not interact with it alone. GP30 is a potential ligand for this receptor. Regulates outgrowth and stabilization of peripheral microtubules (MTs). Upon ERBB2 activation, the MEMO1-RHOA-DIAPH1 signaling pathway elicits the phosphorylation and thus the inhibition of GSK3B at cell membrane. This prevents the phosphorylation of APC and CLASP2, allowing its association with the cell membrane. In turn, membrane-bound APC allows the localization of MACF1 to the cell membrane, which is required for microtubule capture and stabilization. In the nucleus is involved in transcriptional regulation. Associates with the 5'-TCAAATTC-3' sequence in the PTGS2/COX-2 promoter and activates its transcription. Implicated in transcriptional activation of CDKN1A; the function involves STAT3 and SRC. Involved in the transcription of rRNA genes by RNA Pol I and enhances protein synthesis and cell growth.

AlphaFold DB , UniProt , Accession P04626, Species HUMAN (Homo sapiens, Human), Gene ERBB2, Length 1,255 aa.

						>ERBB2_HUMAN|P04626|ERBB2
MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVGILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
					

Structure Viewer

Loading PAE data...

(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	42	Very low	44.6	Very low	219 Å²	219	127.4 Å²	127.4	100%	1.079	66%	0.662	S	S	*	*				0	-30.1	0	-76.4	-171.4	-73.1	0	0	112.6	L3 A4	M1-L3 PolarHBondContact O-N 3.44Å; M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 2.74Å
2	E	41.6	Very low	44.3	Very low	161 Å²	161	126.8 Å²	126.8	75%	0.752	66%	0.66	S	S	*	*	H	α-helix	trans	-58.5	-35.6	-172.2	-65.4	154.7	135.9	0	0	115.3	A4 A5 L6	E2-A4 PolarHBondContact O-N 2.97Å; E2-A4 VanDerWaalsContact O-N 3.16Å; E2-A5 WeakPolarHBondContact O-CA 3.46Å; E2-A5 WeakPolarHBondContact O-CB 3.47Å; E2-A5 PolarHBondContact O-N 3.25Å; E2-L6 PolarHBondContact O-N 3.06Å
3	L	42.6	Very low	44	Very low	145 Å²	145	126.3 Å²	126.3	76%	0.759	66%	0.657	S	S	*	*	H	α-helix	trans	-55.9	-32.3	173.5	-76.9	111.5	0	0	0	113.4	M1 A5 C7	M1-L3 PolarHBondContact O-N 3.44Å; L3-A5 VanDerWaalsContact C-N 3.34Å; L3-C7 PolarHBondContact O-N 3.16Å; L3-C7 PolarHBondContact O-SG 3.23Å; L3-C7 VanDerWaalsContact O-SG 3.39Å
4	A	47.4	Very low	43.8	Very low	65 Å²	65	123.1 Å²	123.1	54%	0.537	66%	0.659	S	S	.	*	H	α-helix	trans	-76.7	-21.1	176.3	0	0	0	0	0	113.1	M1 E2 R8	M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 2.74Å; E2-A4 PolarHBondContact O-N 2.97Å; E2-A4 VanDerWaalsContact O-N 3.16Å; A4-R8 WeakPolarHBondContact O-CG 3.31Å
5	A	44.7	Very low	43.6	Very low	51 Å²	51	124.3 Å²	124.3	42%	0.421	66%	0.664	S	S	.	*	H	α-helix	trans	-76.4	-45.3	170.4	0	0	0	0	0	110.5	E2 L3 C7 R8 W9	E2-A5 WeakPolarHBondContact O-CA 3.46Å; E2-A5 WeakPolarHBondContact O-CB 3.47Å; E2-A5 PolarHBondContact O-N 3.25Å; L3-A5 VanDerWaalsContact C-N 3.34Å; A5-C7 PolarHBondContact O-N 3.44Å; A5-R8 PolarHBondContact O-N 3.18Å; A5-W9 VanDerWaalsContact O-CD1 3.29Å; A5-W9 PolarHBondContact O-N 3.42Å
6	L	45.9	Very low	42.7	Very low	124 Å²	124	123.9 Å²	123.9	65%	0.649	66%	0.661	S	S	*	*	H	α-helix	trans	-55.5	-47.3	176.6	-75.4	162.2	0	0	0	112.1	E2 R8 W9 G10	E2-L6 PolarHBondContact O-N 3.06Å; L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 2.86Å; L6-W9 PolarHBondContact O-N 2.72Å; L6-G10 PolarHBondContact O-N 3.39Å
7	C	47.9	Very low	42	Very low	85 Å²	85	122.8 Å²	122.8	57%	0.574	66%	0.662	S	S	*	*	H	α-helix	trans	-62	-32.8	175.6	-65.6	0	0	0	0	113.5	L3 A5 L11	L3-C7 PolarHBondContact O-N 3.16Å; L3-C7 PolarHBondContact O-SG 3.23Å; L3-C7 VanDerWaalsContact O-SG 3.39Å; A5-C7 PolarHBondContact O-N 3.44Å; C7-L11 VanDerWaalsContact O-CD1 3.31Å; C7-L11 WeakPolarHBondContact O-CD1 3.42Å; C7-L11 PolarHBondContact O-N 3.13Å; C7-L11 VanDerWaalsContact O-N 3.12Å
8	R	43.2	Very low	41.3	Very low	195 Å²	195	122.3 Å²	122.3	74%	0.736	67%	0.666	S	S	*	*	H	α-helix	trans	-74.1	-32.7	177.1	-77.2	-177.4	173.6	-148.8	-2.9	113	A4 A5 L6 L12	A4-R8 WeakPolarHBondContact O-CG 3.31Å; A5-R8 PolarHBondContact O-N 3.18Å; L6-R8 VanDerWaalsContact C-N 3.29Å; L6-R8 PolarHBondContact O-N 2.86Å; R8-L12 PolarHBondContact O-N 2.94Å
9	W	46.5	Very low	40.5	Very low	194 Å²	194	119.8 Å²	119.8	74%	0.735	67%	0.672	S	S	*	*	H	α-helix	trans	-72	-37.7	172.3	-77.7	58.2	0	0	0	111.3	A5 L6 L11 L12 L13	A5-W9 VanDerWaalsContact O-CD1 3.29Å; A5-W9 PolarHBondContact O-N 3.42Å; L6-W9 PolarHBondContact O-N 2.72Å; W9-L11 PolarHBondContact O-N 3.5Å; W9-L12 PolarHBondContact O-N 2.84Å; W9-L13 PolarHBondContact O-N 3.05Å
10	G	44.8	Very low	39.9	Very low	38 Å²	38	119 Å²	119	39%	0.392	68%	0.681	S	S	.	*	H	α-helix	trans	-58.2	-45.6	172	0	0	0	0	0	113.5	L6 L12 L13 A14	L6-G10 PolarHBondContact O-N 3.39Å; G10-L12 VanDerWaalsContact C-N 3.31Å; G10-L12 PolarHBondContact O-N 3.26Å; G10-L13 PolarHBondContact O-N 3.41Å; G10-A14 PolarHBondContact O-N 3.13Å; G10-A14 VanDerWaalsContact O-N 3.14Å
11	L	43.9	Very low	39.5	Very low	124 Å²	124	117.4 Å²	117.4	65%	0.649	68%	0.682	S	S	*	*	H	α-helix	trans	-67.9	-26.6	175.8	-95.1	81.7	0	0	0	113.9	C7 W9 L15	C7-L11 VanDerWaalsContact O-CD1 3.31Å; C7-L11 WeakPolarHBondContact O-CD1 3.42Å; C7-L11 PolarHBondContact O-N 3.13Å; C7-L11 VanDerWaalsContact O-N 3.12Å; W9-L11 PolarHBondContact O-N 3.5Å; L11-L15 WeakPolarHBondContact O-CG 3.21Å
12	L	40.7	Very low	39.8	Very low	121 Å²	121	111.9 Å²	111.9	63%	0.634	67%	0.665	S	S	*	*	H	α-helix	trans	-76.8	-35.4	175.9	-94.1	157.7	0	0	0	112.4	R8 W9 G10 A14 L15	R8-L12 PolarHBondContact O-N 2.94Å; W9-L12 PolarHBondContact O-N 2.84Å; G10-L12 VanDerWaalsContact C-N 3.31Å; G10-L12 PolarHBondContact O-N 3.26Å; L12-A14 VanDerWaalsContact C-N 3.32Å; L12-L15 PolarHBondContact O-N 3.29Å
13	L	40.5	Very low	40.7	Very low	120 Å²	120	107.4 Å²	107.4	63%	0.628	65%	0.649	S	S	*	*	H	α-helix	trans	-65.3	-36.2	170.9	-76.3	161.3	0	0	0	111.9	W9 G10 L15 L16	W9-L13 PolarHBondContact O-N 3.05Å; G10-L13 PolarHBondContact O-N 3.41Å; L13-L15 PolarHBondContact O-N 3.22Å; L13-L16 HydrophobicContact CD2-CD1 4.16Å; L13-L16 PolarHBondContact O-N 2.8Å
14	A	42.1	Very low	42.4	Very low	82 Å²	82	105.3 Å²	105.3	68%	0.678	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-2.2	176.1	0	0	0	0	0	115	G10 L12	G10-A14 PolarHBondContact O-N 3.13Å; G10-A14 VanDerWaalsContact O-N 3.14Å; L12-A14 VanDerWaalsContact C-N 3.32Å
15	L	39.6	Very low	44.1	Very low	141 Å²	141	104.3 Å²	104.3	74%	0.738	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	3.6	178.4	-74.2	170.4	0	0	0	113.5	L11 L12 L13	L11-L15 WeakPolarHBondContact O-CG 3.21Å; L12-L15 PolarHBondContact O-N 3.29Å; L13-L15 PolarHBondContact O-N 3.22Å
16	L	30.5	Very low	46.1	Very low	117 Å²	117	102 Å²	102	61%	0.613	60%	0.604	S	S	*	*	S	Bend	trans	-74.4	140.7	165.4	-71.9	166.4	0	0	0	109.5	L13	L13-L16 HydrophobicContact CD2-CD1 4.16Å; L13-L16 PolarHBondContact O-N 2.8Å
17	P	30	Very low	47.9	Very low	105 Å²	105	98.4 Å²	98.4	68%	0.682	59%	0.587	S	S	*	*			trans	-61.8	148	170.2	28.9	-34.6	0	0	0	109.6	G19	P17-G19 PolarHBondContact O-N 3.22Å
18	P	29.2	Very low	49.7	Very low	114 Å²	114	94.5 Å²	94.5	74%	0.74	56%	0.561	S	S	*	*			trans	-60.6	106.9	-179.1	24.6	-33.6	0	0	0	110.1	A20	P18-A20 PolarHBondContact O-N 2.87Å
19	G	26.7	Very low	51.9	Low	75 Å²	75	85.3 Å²	85.3	77%	0.773	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	118.6	-176.1	0	0	0	0	0	110.7	P17 A21	P17-G19 PolarHBondContact O-N 3.22Å; G19-A21 PolarHBondContact O-N 3Å
20	A	28.5	Very low	54	Low	104 Å²	104	78.6 Å²	78.6	86%	0.86	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.1	65.9	178.6	0	0	0	0	0	113.3	P18 S22	P18-A20 PolarHBondContact O-N 2.87Å; A20-S22 PolarHBondContact O-N 2.95Å
21	A	31.8	Very low	56.2	Low	85 Å²	85	77.2 Å²	77.2	70%	0.702	49%	0.488	S	S	*	.			trans	-49.1	111.4	176.9	0	0	0	0	0	111.2	G19	G19-A21 PolarHBondContact O-N 3Å
22	S	48.9	Very low	58.5	Low	103 Å²	103	74.9 Å²	74.9	72%	0.72	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-62.8	137.2	176.2	43.4	0	0	0	0	109.8	A20 Q24	A20-S22 PolarHBondContact O-N 2.95Å; S22-Q24 PolarHBondContact O-N 3.34Å; S22-Q24 VanDerWaalsContact O-N 3.16Å
23	T	59.3	Low	61	Low	68 Å²	68	72 Å²	72	42%	0.417	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-58	120.1	174	29	0	0	0	0	109.1	V25	T23-V25 WeakPolarHBondContact O-CG2 3.5Å; T23-V25 PolarHBondContact O-N 2.78Å
24	Q	78.6	Confident	63.3	Low	100 Å²	100	72.3 Å²	72.3	47%	0.467	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-71.4	124.9	179.5	-70.3	-173.5	-16.9	0	0	109.6	S22 G52 Q54 V55	S22-Q24 PolarHBondContact O-N 3.34Å; S22-Q24 VanDerWaalsContact O-N 3.16Å; Q24-G52 WeakPolarHBondContact CB-O 3.47Å; Q24-G52 PolarHBondContact OE1-O 3.03Å; Q24-G52 VanDerWaalsContact OE1-O 3.07Å; Q24-Q54 PolarHBondContact O-N 2.68Å; Q24-V55 PolarHBondContact O-N 2.85Å; Q24-V55 VanDerWaalsContact O-N 3.17Å
25	V	83.3	Confident	65.6	Low	44 Å²	44	74.5 Å²	74.5	27%	0.267	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.2	-175.1	-175.8	0	0	0	0	109.1	T23 V55 Q57 F291	T23-V25 WeakPolarHBondContact O-CG2 3.5Å; T23-V25 PolarHBondContact O-N 2.78Å; V25-V55 WeakPolarHBondContact CA-O 3.38Å; V25-V55 HydrophobicContact CG2-CB 4.34Å; V25-Q57 HydrophobicContact CG1-CB 4.18Å; V25-Q57 VanDerWaalsContact CG1-CD 3.48Å; V25-Q57 HydrophobicContact CG1-CG 3.63Å; V25-F291 HydrophobicContact CG1-CE1 4.23Å; V25-F291 HydrophobicContact CG1-CZ 4.28Å; V25-F291 HydrophobicContact CG2-CE1 4.23Å
26	C	86.5	Confident	67.9	Low	4 Å²	4	68.7 Å²	68.7	3%	0.027	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	158.6	172	61.1	0	0	0	0	110.3	L49 Y50 C53 V55 Q57	C26-L49 HydrophobicContact CB-CD1 4.45Å; C26-L49 WeakPolarHBondContact CB-O 3.37Å; C26-Y50 VanDerWaalsContact SG-CD1 3.55Å; C26-C53 HydrophobicContact CB-CB 3.67Å; C26-C53 WeakPolarHBondContact CB-SG 3.32Å; C26-C53 PolarHBondContact N-SG 3.15Å; C26-C53 WeakPolarHBondContact SG-CB 3.46Å; C26-C53 CovalentContact SG-SG 2.03Å; C26-C53 PolarHBondContact SG-SG 3.2Å; C26-V55 PolarHBondContact N-O 3.41Å; C26-Q57 PolarHBondContact O-N 2.79Å
27	T	82.8	Confident	70.4	Confident	48 Å²	48	64.7 Å²	64.7	29%	0.294	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	153.9	167.9	-175.2	0	0	0	0	110.3	L49 L436	T27-L49 HydrophobicContact CG2-CD1 3.52Å; T27-L49 WeakPolarHBondContact O-CD1 3.35Å; T27-L436 HydrophobicContact CG2-CD1 4.16Å
28	G	86	Confident	73	Confident	3 Å²	3	59.8 Å²	59.8	3%	0.031	37%	0.373	C	S	.	.			trans	-80.4	-173	166.5	0	0	0	0	0	113	Q57 N59 G439	G28-Q57 PolarHBondContact N-O 2.93Å; G28-N59 CarbonylContact C-O 3.57Å; G28-N59 WeakPolarHBondContact CA-O 3.33Å; G28-G439 VanDerWaalsContact O-O 3.13Å
29	T	90.7	Very high	75.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-113.4	163.6	174	36.7	0	0	0	0	111.6	M45 L49 Y50 N59 E61	T29-M45 HydrophobicContact CG2-CE 4.31Å; T29-M45 HydrophobicContact CG2-SD 4.41Å; T29-L49 HydrophobicContact CG2-CD2 3.64Å; T29-Y50 PolarHBondContact OG1-OH 3.29Å; T29-N59 PolarHBondContact N-O 3.2Å; T29-N59 WeakPolarHBondContact O-CB 3.39Å; T29-N59 PolarHBondContact O-ND2 2.76Å; T29-N59 VanDerWaalsContact O-ND2 3.11Å; T29-N59 PolarHBondContact OG1-O 3.39Å; T29-E61 VanDerWaalsContact OG1-CB 3.32Å; T29-E61 WeakPolarHBondContact OG1-CB 3.33Å; T29-E61 WeakPolarHBondContact OG1-CG 3.4Å; T29-E61 PolarHBondContact OG1-N 2.96Å
30	D	89.9	Confident	78.6	Confident	53 Å²	53	60 Å²	60	28%	0.283	35%	0.351	S	S	.	.			trans	-148.9	59.3	169.8	-166.9	1	0	0	0	111.1	K32 R34 E61 N438	D30-K32 WeakPolarHBondContact OD1-CE 3.21Å; D30-K32 WeakPolarHBondContact OD1-CG 3.4Å; D30-K32 IonicContact OD1-NZ 3.18Å; D30-K32 PolarHBondContact OD1-NZ 2.98Å; D30-K32 IonicContact OD2-NZ 2.8Å; D30-R34 PolarHBondContact O-NH2 3.18Å; D30-E61 WeakPolarHBondContact CA-OE2 3.46Å; D30-E61 PolarHBondContact N-OE2 2.96Å; D30-N438 CarbonylContact C-O 3.48Å; D30-N438 PolarHBondContact N-O 3.09Å; D30-N438 CarbonylContact O-C 3.2Å; D30-N438 WeakPolarHBondContact O-CA 3.32Å
31	M	90.1	Very high	81.5	Confident	8 Å²	8	55.7 Å²	55.7	4%	0.039	31%	0.314	C	S	.	.			trans	-92.5	-25.3	168.3	57.2	-175.1	-66.6	0	0	112.4	L33 R34 P36 H42 E61 T63 N438	M31-L33 PolarHBondContact O-N 3.14Å; M31-R34 WeakPolarHBondContact CE-O 3.48Å; M31-R34 VanDerWaalsContact O-CB 3.23Å; M31-R34 WeakPolarHBondContact O-CB 2.99Å; M31-R34 VanDerWaalsContact O-CG 3.31Å; M31-R34 WeakPolarHBondContact O-CG 3Å; M31-R34 PolarHBondContact O-N 3.28Å; M31-R34 VanDerWaalsContact O-N 3.11Å; M31-R34 PolarHBondContact O-NE 3.06Å; M31-P36 HydrophobicContact CE-CG 4.14Å; M31-H42 VanDerWaalsContact SD-CE1 3.58Å; M31-E61 HydrophobicContact CG-CB 4.47Å; M31-E61 VanDerWaalsContact CG-OE2 3.26Å; M31-E61 WeakPolarHBondContact CG-OE2 3.5Å; M31-E61 PolarHBondContact N-OE2 3.47Å; M31-T63 WeakPolarHBondContact CE-OG1 3.46Å; M31-N438 HydrophobicContact CB-CB 4.14Å; M31-N438 PolarHBondContact N-O 3.42Å
32	K	92.9	Very high	84.4	Confident	75 Å²	75	52.1 Å²	52.1	33%	0.326	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-127.2	-173.1	-46.8	-155.9	-172.2	-49.7	0	111.2	D30 E61 Y83 F108	D30-K32 WeakPolarHBondContact OD1-CE 3.21Å; D30-K32 WeakPolarHBondContact OD1-CG 3.4Å; D30-K32 IonicContact OD1-NZ 3.18Å; D30-K32 PolarHBondContact OD1-NZ 2.98Å; D30-K32 IonicContact OD2-NZ 2.8Å; K32-E61 VanDerWaalsContact CA-OE1 3.26Å; K32-E61 WeakPolarHBondContact CA-OE1 3.49Å; K32-E61 VanDerWaalsContact N-CD 3.35Å; K32-E61 PolarHBondContact N-OE1 3.29Å; K32-E61 VanDerWaalsContact N-OE1 3.14Å; K32-E61 PolarHBondContact N-OE2 3.16Å; K32-Y83 PolarHBondContact NZ-OH 2.86Å; K32-F108 HydrophobicContact CB-CE2 4.3Å
33	L	92.7	Very high	86.5	Confident	61 Å²	61	48.9 Å²	48.9	32%	0.319	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	17.2	175	-58.5	179.8	0	0	0	113.2	M31 Y64 L85 A87 F108 L117	M31-L33 PolarHBondContact O-N 3.14Å; L33-Y64 PolarHBondContact O-OH 2.03Å; L33-Y64 VanDerWaalsContact O-OH 3.06Å; L33-L85 HydrophobicContact CD2-CD1 4.32Å; L33-L85 HydrophobicContact CD2-CD2 4.22Å; L33-A87 HydrophobicContact CD2-CB 3.36Å; L33-F108 HydrophobicContact CD1-CZ 4.03Å; L33-F108 HydrophobicContact CD2-CZ 4.47Å; L33-F108 HydrophobicContact CG-CE2 4.28Å; L33-F108 HydrophobicContact CG-CZ 4Å; L33-L117 HydrophobicContact CD1-CD1 4.36Å; L33-L117 HydrophobicContact CD2-CD1 4.45Å
34	R	89.8	Confident	88	Confident	127 Å²	127	48.3 Å²	48.3	48%	0.479	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-73	139.2	173.1	-65.3	179.9	-79.7	-171	-5.3	109.6	D30 M31 N438	D30-R34 PolarHBondContact O-NH2 3.18Å; M31-R34 WeakPolarHBondContact CE-O 3.48Å; M31-R34 VanDerWaalsContact O-CB 3.23Å; M31-R34 WeakPolarHBondContact O-CB 2.99Å; M31-R34 VanDerWaalsContact O-CG 3.31Å; M31-R34 WeakPolarHBondContact O-CG 3Å; M31-R34 PolarHBondContact O-N 3.28Å; M31-R34 VanDerWaalsContact O-N 3.11Å; M31-R34 PolarHBondContact O-NE 3.06Å; R34-N438 PolarHBondContact NH1-OD1 2.85Å; R34-N438 PolarHBondContact NH2-OD1 3.32Å
35	L	89.1	Confident	88.7	Confident	127 Å²	127	43.8 Å²	43.8	67%	0.665	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-60.2	147.4	174.2	-76.8	73.6	0	0	0	110	A37 Y64	L35-A37 PolarHBondContact O-N 2.04Å; L35-Y64 HydrophobicContact CG-CE1 4.25Å; L35-Y64 HydrophobicContact CG-CE2 4.46Å
36	P	87.9	Confident	89.3	Confident	19 Å²	19	41.7 Å²	41.7	12%	0.123	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-60.8	135.3	174.8	-18.9	30.6	0	0	0	111.2	M31 S38 H42 Y64	M31-P36 HydrophobicContact CE-CG 4.14Å; P36-S38 VanDerWaalsContact C-N 3.26Å; P36-S38 PolarHBondContact O-N 3.42Å; P36-H42 HydrophobicContact CB-CB 3.69Å; P36-H42 HydrophobicContact CG-CB 3.97Å; P36-Y64 HydrophobicContact CG-CD2 4.24Å
37	A	83.3	Confident	89.6	Confident	34 Å²	34	45.8 Å²	45.8	28%	0.281	23%	0.233	S	C	.	.	S	Bend	trans	-57.8	-38.9	178.8	0	0	0	0	0	112.5	L35 L467 H469	L35-A37 PolarHBondContact O-N 2.04Å; A37-L467 HydrophobicContact CB-CD2 4.05Å; A37-H469 PolarHBondContact O-CE1 3.16Å
38	S	85.1	Confident	90	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	24%	0.236	C	C	.	.	S	Bend	trans	-125.7	106.6	165.3	177.8	0	0	0	0	108.3	P36 E40 T41 H42	P36-S38 VanDerWaalsContact C-N 3.26Å; P36-S38 PolarHBondContact O-N 3.42Å; S38-E40 PolarHBondContact O-N 2.75Å; S38-E40 PolarHBondContact OG-OE2 2.9Å; S38-T41 WeakPolarHBondContact CB-OG1 3.41Å; S38-T41 PolarHBondContact O-N 2.81Å; S38-T41 PolarHBondContact OG-OG1 3.02Å; S38-H42 PolarHBondContact O-N 2.89Å
39	P	86.8	Confident	90.2	Very high	84 Å²	84	47 Å²	47	55%	0.545	24%	0.235	S	C	.	.	H	α-helix	trans	-67	-26.6	177.8	25.6	-32.2	0	0	0	112.3	H42	P39-H42 PolarHBondContact O-N 2.74Å
40	E	86.7	Confident	90.3	Very high	110 Å²	110	47 Å²	47	51%	0.514	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-45.5	176.8	-57.2	69.1	-148.2	0	0	111.5	S38	S38-E40 PolarHBondContact O-N 2.75Å; S38-E40 PolarHBondContact OG-OE2 2.9Å
41	T	88.9	Confident	90.5	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-95.4	0.8	-177.3	69.4	0	0	0	0	113.3	S38 L43 D44 M45 L494 T496	S38-T41 WeakPolarHBondContact CB-OG1 3.41Å; S38-T41 PolarHBondContact O-N 2.81Å; S38-T41 PolarHBondContact OG-OG1 3.02Å; T41-L43 PolarHBondContact O-N 2.83Å; T41-D44 PolarHBondContact O-N 3.13Å; T41-M45 PolarHBondContact O-N 3.25Å; T41-L494 HydrophobicContact CG2-CB 4.36Å; T41-T496 HydrophobicContact CG2-CG2 4.13Å
42	H	92.4	Very high	90.5	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.046	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-43.4	-174.1	-177.8	53.1	0	0	0	113.2	M31 P36 S38 P39 D44 M45 L46 T63	M31-H42 VanDerWaalsContact SD-CE1 3.58Å; P36-H42 HydrophobicContact CB-CB 3.69Å; P36-H42 HydrophobicContact CG-CB 3.97Å; S38-H42 PolarHBondContact O-N 2.89Å; P39-H42 PolarHBondContact O-N 2.74Å; H42-D44 VanDerWaalsContact C-N 3.26Å; H42-D44 PolarHBondContact O-N 3.16Å; H42-M45 WeakPolarHBondContact O-CB 3.06Å; H42-M45 PolarHBondContact O-N 2.83Å; H42-L46 WeakPolarHBondContact O-CG 3.45Å; H42-L46 PolarHBondContact O-N 2.99Å; H42-L46 VanDerWaalsContact O-N 3.07Å; H42-T63 PolarHBondContact CD2-O 3.08Å; H42-T63 PolarHBondContact NE2-O 3.19Å; H42-T63 VanDerWaalsContact NE2-O 3.1Å
43	L	93.2	Very high	90.5	Very high	36 Å²	36	45.7 Å²	45.7	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-33	177.2	178.5	60	0	0	0	112	T41 R47 L65 A69 L71 F73	T41-L43 PolarHBondContact O-N 2.83Å; L43-R47 WeakPolarHBondContact O-CB 3.35Å; L43-R47 PolarHBondContact O-N 3.4Å; L43-L65 HydrophobicContact CD1-CD2 3.89Å; L43-A69 HydrophobicContact CD1-CB 4.17Å; L43-A69 HydrophobicContact CD2-CB 3.96Å; L43-L71 HydrophobicContact CD1-CD2 3.95Å; L43-F73 HydrophobicContact CD1-CE1 4.19Å; L43-F73 HydrophobicContact CD1-CZ 4.34Å
44	D	92.1	Very high	90.6	Very high	56 Å²	56	45.3 Å²	45.3	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-78.1	-31.2	178.2	-64	-35.3	0	0	0	111.7	T41 H42 R47 H48 L494	T41-D44 PolarHBondContact O-N 3.13Å; H42-D44 VanDerWaalsContact C-N 3.26Å; H42-D44 PolarHBondContact O-N 3.16Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 IonicContact OD1-CZ 3.49Å; D44-R47 IonicContact OD1-NH1 2.74Å; D44-R47 PolarHBondContact OD1-NH1 2.79Å; D44-R47 IonicContact OD1-NH2 3.39Å; D44-R47 PolarHBondContact OD1-NH2 2.84Å; D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 PolarHBondContact O-ND1 3.03Å; D44-L494 HydrophobicContact CB-CD2 4.5Å
45	M	93.2	Very high	90.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-55.1	165.9	-176.1	-81.1	-68.2	0	0	110.7	T29 T41 H42 R47 H48 L49 A440 Y441 L465 L494	T29-M45 HydrophobicContact CG2-CE 4.31Å; T29-M45 HydrophobicContact CG2-SD 4.41Å; T41-M45 PolarHBondContact O-N 3.25Å; H42-M45 WeakPolarHBondContact O-CB 3.06Å; H42-M45 PolarHBondContact O-N 2.83Å; M45-R47 PolarHBondContact O-N 3.36Å; M45-H48 PolarHBondContact O-N 3.49Å; M45-L49 WeakPolarHBondContact O-CB 3.04Å; M45-L49 PolarHBondContact O-N 2.95Å; M45-L49 HydrophobicContact SD-CB 4.46Å; M45-L49 HydrophobicContact SD-CD2 4.12Å; M45-A440 HydrophobicContact CE-CB 4.46Å; M45-A440 HydrophobicContact CG-CB 4.19Å; M45-A440 HydrophobicContact SD-CB 3.84Å; M45-Y441 HydrophobicContact CG-CE1 4.22Å; M45-L465 HydrophobicContact CG-CD1 4.45Å; M45-L465 HydrophobicContact CG-CD2 4.17Å; M45-L494 HydrophobicContact CB-CD1 3.62Å; M45-L494 HydrophobicContact CG-CD1 4.28Å
46	L	94.2	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59	-37.2	179.4	-67.5	175.5	0	0	0	111.9	H42 Y50 L62 L65 F73	H42-L46 WeakPolarHBondContact O-CG 3.45Å; H42-L46 PolarHBondContact O-N 2.99Å; H42-L46 VanDerWaalsContact O-N 3.07Å; L46-Y50 HydrophobicContact CD2-CD2 4.26Å; L46-Y50 HydrophobicContact CD2-CE2 3.81Å; L46-Y50 WeakPolarHBondContact O-CB 3.47Å; L46-Y50 WeakPolarHBondContact O-CD2 3.33Å; L46-Y50 PolarHBondContact O-N 3.23Å; L46-L62 HydrophobicContact CD1-CD2 4.39Å; L46-L62 HydrophobicContact CD2-CD2 4.43Å; L46-L65 HydrophobicContact CD1-CD1 3.89Å; L46-L65 HydrophobicContact CD1-CD2 3.88Å; L46-L65 HydrophobicContact CD1-CG 4.1Å; L46-F73 HydrophobicContact CB-CE2 4.25Å; L46-F73 HydrophobicContact CB-CZ 4.08Å; L46-F73 VanDerWaalsContact O-CE2 3.29Å; L46-F73 WeakPolarHBondContact O-CE2 3.25Å
47	R	94.1	Very high	90.9	Very high	90 Å²	90	34.6 Å²	34.6	34%	0.34	18%	0.178	S	C	.	.	H	α-helix	trans	-65.8	-53.2	176.6	-167.3	-174.7	-54.6	120.7	21.8	111.7	L43 D44 M45 L49 Y50 Q51 F73	L43-R47 WeakPolarHBondContact O-CB 3.35Å; L43-R47 PolarHBondContact O-N 3.4Å; D44-R47 PolarHBondContact O-N 3.36Å; D44-R47 IonicContact OD1-CZ 3.49Å; D44-R47 IonicContact OD1-NH1 2.74Å; D44-R47 PolarHBondContact OD1-NH1 2.79Å; D44-R47 IonicContact OD1-NH2 3.39Å; D44-R47 PolarHBondContact OD1-NH2 2.84Å; M45-R47 PolarHBondContact O-N 3.36Å; R47-L49 VanDerWaalsContact C-N 3.27Å; R47-L49 PolarHBondContact O-N 3.35Å; R47-Y50 PolarHBondContact O-N 3.23Å; R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 PolarHBondContact O-N 2.97Å; R47-F73 HydrophobicContact CB-CD1 4.22Å; R47-F73 HydrophobicContact CB-CE1 4.15Å; R47-F73 HydrophobicContact CB-CZ 4.4Å; R47-F73 HydrophobicContact CG-CB 4.39Å; R47-F73 HydrophobicContact CG-CD1 3.9Å; R47-F73 HydrophobicContact CG-CE1 4.33Å; R47-F73 HydrophobicContact CG-CG 4.12Å
48	H	90.2	Very high	91.2	Very high	76 Å²	76	33.6 Å²	33.6	35%	0.352	17%	0.171	S	C	.	.	H	α-helix	trans	-60.4	-39.6	-179.6	-72	93.6	0	0	0	111.8	D44 M45 L465 H490	D44-H48 PolarHBondContact O-N 2.86Å; D44-H48 PolarHBondContact O-ND1 3.03Å; M45-H48 PolarHBondContact O-N 3.49Å; H48-L465 HydrophobicContact CB-CD2 4.33Å; H48-H490 WeakPolarHBondContact O-CB 3.27Å; H48-H490 PolarHBondContact O-ND1 3.03Å
49	L	90.7	Very high	91.7	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65.8	-46.2	-179.8	-176.4	58.6	0	0	0	113.3	C26 T27 T29 M45 R47 H490	C26-L49 HydrophobicContact CB-CD1 4.45Å; C26-L49 WeakPolarHBondContact CB-O 3.37Å; T27-L49 HydrophobicContact CG2-CD1 3.52Å; T27-L49 WeakPolarHBondContact O-CD1 3.35Å; T29-L49 HydrophobicContact CG2-CD2 3.64Å; M45-L49 WeakPolarHBondContact O-CB 3.04Å; M45-L49 PolarHBondContact O-N 2.95Å; M45-L49 HydrophobicContact SD-CB 4.46Å; M45-L49 HydrophobicContact SD-CD2 4.12Å; R47-L49 VanDerWaalsContact C-N 3.27Å; R47-L49 PolarHBondContact O-N 3.35Å; L49-H490 PolarHBondContact O-ND1 2.91Å
50	Y	93.9	Very high	92.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-103	-9.1	-170.6	-63	-59	0	0	0	115	C26 T29 L46 R47 G52 C53 V56 N59 L60 L74 I77	C26-Y50 VanDerWaalsContact SG-CD1 3.55Å; T29-Y50 PolarHBondContact OG1-OH 3.29Å; L46-Y50 HydrophobicContact CD2-CD2 4.26Å; L46-Y50 HydrophobicContact CD2-CE2 3.81Å; L46-Y50 WeakPolarHBondContact O-CB 3.47Å; L46-Y50 WeakPolarHBondContact O-CD2 3.33Å; L46-Y50 PolarHBondContact O-N 3.23Å; R47-Y50 PolarHBondContact O-N 3.23Å; Y50-G52 PolarHBondContact O-N 2.75Å; Y50-G52 VanDerWaalsContact O-N 3.09Å; Y50-C53 VanDerWaalsContact O-CB 3.3Å; Y50-C53 WeakPolarHBondContact O-CB 3.41Å; Y50-C53 PolarHBondContact O-N 3.48Å; Y50-V56 HydrophobicContact CD1-CG2 4.13Å; Y50-V56 HydrophobicContact CE1-CG1 3.92Å; Y50-V56 HydrophobicContact CE1-CG2 3.89Å; Y50-N59 PolarHBondContact OH-O 2.81Å; Y50-L60 HydrophobicContact CD1-CD1 4.22Å; Y50-L60 HydrophobicContact CD2-CD1 4.21Å; Y50-L60 HydrophobicContact CE1-CD1 3.81Å; Y50-L60 HydrophobicContact CE2-CD1 3.77Å; Y50-L60 HydrophobicContact CG-CD1 4.43Å; Y50-L74 HydrophobicContact CD2-CD2 4.25Å; Y50-L74 HydrophobicContact CG-CD2 4.26Å; Y50-I77 HydrophobicContact CD1-CD1 4.31Å; Y50-I77 HydrophobicContact CG-CD1 4.49Å
51	Q	92.6	Very high	92.7	Very high	101 Å²	101	24.4 Å²	24.4	47%	0.472	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	113	179.6	175.6	60.7	57.5	0	0	112.3	R47 C53 F73 H490	R47-Q51 WeakPolarHBondContact O-CB 3.4Å; R47-Q51 PolarHBondContact O-N 2.97Å; Q51-C53 PolarHBondContact O-N 2.76Å; Q51-F73 HydrophobicContact CB-CB 4.41Å; Q51-F73 VanDerWaalsContact OE1-CB 3.3Å; Q51-H490 PolarHBondContact O-CE1 3.17Å
52	G	91.3	Very high	93.1	Very high	9 Å²	9	23.8 Å²	23.8	9%	0.093	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-7.8	-177.3	0	0	0	0	0	114.8	Q24 Y50 Q54	Q24-G52 WeakPolarHBondContact CB-O 3.47Å; Q24-G52 PolarHBondContact OE1-O 3.03Å; Q24-G52 VanDerWaalsContact OE1-O 3.07Å; Y50-G52 PolarHBondContact O-N 2.75Å; Y50-G52 VanDerWaalsContact O-N 3.09Å; G52-Q54 PolarHBondContact O-N 3.08Å
53	C	92.9	Very high	93.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.			trans	-65.1	132	-178.2	-174.5	0	0	0	0	111.8	C26 Y50 Q51 V55 D76 I77	C26-C53 HydrophobicContact CB-CB 3.67Å; C26-C53 WeakPolarHBondContact CB-SG 3.32Å; C26-C53 PolarHBondContact N-SG 3.15Å; C26-C53 WeakPolarHBondContact SG-CB 3.46Å; C26-C53 CovalentContact SG-SG 2.03Å; C26-C53 PolarHBondContact SG-SG 3.2Å; Y50-C53 VanDerWaalsContact O-CB 3.3Å; Y50-C53 WeakPolarHBondContact O-CB 3.41Å; Y50-C53 PolarHBondContact O-N 3.48Å; Q51-C53 PolarHBondContact O-N 2.76Å; C53-V55 PolarHBondContact SG-O 2.93Å; C53-D76 CarbonylContact O-C 3.24Å; C53-I77 WeakPolarHBondContact O-CA 3.32Å; C53-I77 WeakPolarHBondContact O-CG1 3.48Å; C53-I77 PolarHBondContact O-N 3.47Å
54	Q	93.8	Very high	93.2	Very high	52 Å²	52	25.1 Å²	25.1	24%	0.243	12%	0.12	C	C	.	.	S	Bend	trans	-109.3	-28.7	177.3	-58.6	-173.6	21.2	0	0	112.2	Q24 G52 D76 Q78 E79	Q24-Q54 PolarHBondContact O-N 2.68Å; G52-Q54 PolarHBondContact O-N 3.08Å; Q54-D76 HydrophobicContact CG-CB 4.35Å; Q54-Q78 PolarHBondContact O-N 3.48Å; Q54-E79 PolarHBondContact O-N 3.05Å
55	V	92.2	Very high	93.3	Very high	20 Å²	20	22.5 Å²	22.5	12%	0.121	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	114.5	179.9	179.2	0	0	0	0	109.5	Q24 V25 C26 C53 E79	Q24-V55 PolarHBondContact O-N 2.85Å; Q24-V55 VanDerWaalsContact O-N 3.17Å; V25-V55 WeakPolarHBondContact CA-O 3.38Å; V25-V55 HydrophobicContact CG2-CB 4.34Å; C26-V55 PolarHBondContact N-O 3.41Å; C53-V55 PolarHBondContact SG-O 2.93Å; V55-E79 WeakPolarHBondContact CA-O 3.32Å; V55-E79 HydrophobicContact CG1-CB 4.32Å; V55-E79 HydrophobicContact CG2-CB 4.26Å; V55-E79 HydrophobicContact CG2-CG 4.34Å
56	V	92.6	Very high	93.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	107.5	176.5	-176.7	0	0	0	0	109.5	Y50 G58 I77 E79 V80 Q81	Y50-V56 HydrophobicContact CD1-CG2 4.13Å; Y50-V56 HydrophobicContact CE1-CG1 3.92Å; Y50-V56 HydrophobicContact CE1-CG2 3.89Å; V56-G58 PolarHBondContact O-N 3.41Å; V56-G58 VanDerWaalsContact O-N 3.11Å; V56-I77 HydrophobicContact CG2-CD1 4.33Å; V56-I77 HydrophobicContact CG2-CG2 4.14Å; V56-E79 PolarHBondContact N-O 3.08Å; V56-V80 HydrophobicContact CB-CG1 4.46Å; V56-V80 HydrophobicContact CB-CG2 4.13Å; V56-V80 HydrophobicContact CG2-CG2 4.14Å; V56-Q81 WeakPolarHBondContact O-CB 3.09Å; V56-Q81 PolarHBondContact O-N 3.2Å
57	Q	88.1	Confident	93	Very high	29 Å²	29	28.3 Å²	28.3	14%	0.136	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	82.3	172.1	-80.3	-174.6	-10.3	0	0	110.5	V25 C26 G28 F291 Y303	V25-Q57 HydrophobicContact CG1-CB 4.18Å; V25-Q57 VanDerWaalsContact CG1-CD 3.48Å; V25-Q57 HydrophobicContact CG1-CG 3.63Å; C26-Q57 PolarHBondContact O-N 2.79Å; G28-Q57 PolarHBondContact N-O 2.93Å; Q57-F291 VanDerWaalsContact CD-CZ 3.43Å; Q57-F291 VanDerWaalsContact OE1-CE2 3.22Å; Q57-Y303 PolarHBondContact OE1-OH 3.36Å
58	G	90.1	Very high	92.6	Very high	12 Å²	12	31 Å²	31	12%	0.124	16%	0.164	C	C	.	.	S	Bend	trans	141.9	-150.2	-177	0	0	0	0	0	109.2	V56 G82	V56-G58 PolarHBondContact O-N 3.41Å; V56-G58 VanDerWaalsContact O-N 3.11Å; G58-G82 WeakPolarHBondContact O-CA 3.08Å; G58-G82 PolarHBondContact O-N 2.91Å
59	N	95.3	Very high	92.6	Very high	2 Å²	2	28 Å²	28	1%	0.011	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-94.2	150.7	178.3	-42.9	-57.1	0	0	0	111.2	G28 T29 Y50 E61 G82 Y83 Q106	G28-N59 CarbonylContact C-O 3.57Å; G28-N59 WeakPolarHBondContact CA-O 3.33Å; T29-N59 PolarHBondContact N-O 3.2Å; T29-N59 WeakPolarHBondContact O-CB 3.39Å; T29-N59 PolarHBondContact O-ND2 2.76Å; T29-N59 VanDerWaalsContact O-ND2 3.11Å; T29-N59 PolarHBondContact OG1-O 3.39Å; Y50-N59 PolarHBondContact OH-O 2.81Å; N59-E61 HydrophobicContact CB-CG 4.02Å; N59-G82 WeakPolarHBondContact OD1-CA 3.44Å; N59-Y83 CarbonylContact C-O 3.54Å; N59-Y83 VanDerWaalsContact CA-O 3.27Å; N59-Y83 WeakPolarHBondContact CA-O 3.49Å; N59-Y83 HydrophobicContact CB-CD1 4.2Å; N59-Y83 HydrophobicContact CB-CD2 3.96Å; N59-Y83 HydrophobicContact CB-CE1 4.06Å; N59-Y83 HydrophobicContact CB-CE2 3.77Å; N59-Y83 HydrophobicContact CB-CG 4.17Å; N59-Y83 WeakPolarHBondContact OD1-CD1 3.4Å; N59-Y83 VanDerWaalsContact OD1-CE1 3.25Å; N59-Y83 WeakPolarHBondContact OD1-CE1 3.26Å; N59-Y83 PolarHBondContact OD1-N 2.76Å; N59-Y83 VanDerWaalsContact OD1-N 3.09Å; N59-Q106 PolarHBondContact ND2-OE1 3.03Å; N59-Q106 PolarHBondContact OD1-OE1 3.03Å
60	L	97.5	Very high	92.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	95.9	170	173.9	59.8	0	0	0	108.2	Y50 L62 L74 I77 V80 Y83 V84 L85 L96	Y50-L60 HydrophobicContact CD1-CD1 4.22Å; Y50-L60 HydrophobicContact CD2-CD1 4.21Å; Y50-L60 HydrophobicContact CE1-CD1 3.81Å; Y50-L60 HydrophobicContact CE2-CD1 3.77Å; Y50-L60 HydrophobicContact CG-CD1 4.43Å; L60-L62 HydrophobicContact CD1-CD1 4.36Å; L60-L62 HydrophobicContact CD1-CD2 4.12Å; L60-L62 HydrophobicContact CD1-CG 4.13Å; L60-L62 HydrophobicContact CG-CD1 4.41Å; L60-L62 HydrophobicContact CG-CG 4.38Å; L60-L74 HydrophobicContact CD1-CD2 4.49Å; L60-I77 HydrophobicContact CD1-CD1 4.15Å; L60-I77 HydrophobicContact CD2-CD1 4.14Å; L60-I77 HydrophobicContact CD2-CG2 4.47Å; L60-V80 HydrophobicContact CB-CG1 4.14Å; L60-V80 HydrophobicContact CB-CG2 3.95Å; L60-V80 HydrophobicContact CD2-CG2 4Å; L60-Y83 PolarHBondContact N-O 2.98Å; L60-V84 HydrophobicContact CB-CG2 4.33Å; L60-V84 HydrophobicContact CD2-CG1 4.33Å; L60-V84 HydrophobicContact CD2-CG2 4.5Å; L60-V84 HydrophobicContact CG-CG1 4.49Å; L60-V84 WeakPolarHBondContact O-CA 3.49Å; L60-L85 PolarHBondContact O-N 3.46Å; L60-L96 HydrophobicContact CD2-CD1 3.95Å; L60-L96 HydrophobicContact CD2-CD2 3.79Å
61	E	97.3	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.7	179.7	-49.2	-172.2	130.2	0	0	110.7	T29 D30 M31 K32 N59 Y83 L85	T29-E61 VanDerWaalsContact OG1-CB 3.32Å; T29-E61 WeakPolarHBondContact OG1-CB 3.33Å; T29-E61 WeakPolarHBondContact OG1-CG 3.4Å; T29-E61 PolarHBondContact OG1-N 2.96Å; D30-E61 WeakPolarHBondContact CA-OE2 3.46Å; D30-E61 PolarHBondContact N-OE2 2.96Å; M31-E61 HydrophobicContact CG-CB 4.47Å; M31-E61 VanDerWaalsContact CG-OE2 3.26Å; M31-E61 WeakPolarHBondContact CG-OE2 3.5Å; M31-E61 PolarHBondContact N-OE2 3.47Å; K32-E61 VanDerWaalsContact CA-OE1 3.26Å; K32-E61 WeakPolarHBondContact CA-OE1 3.49Å; K32-E61 VanDerWaalsContact N-CD 3.35Å; K32-E61 PolarHBondContact N-OE1 3.29Å; K32-E61 VanDerWaalsContact N-OE1 3.14Å; K32-E61 PolarHBondContact N-OE2 3.16Å; N59-E61 HydrophobicContact CB-CG 4.02Å; E61-Y83 HydrophobicContact CG-CE2 3.96Å; E61-Y83 WeakPolarHBondContact OE1-CE2 3.37Å; E61-Y83 VanDerWaalsContact OE1-CZ 3.26Å; E61-Y83 PolarHBondContact OE1-OH 3.3Å; E61-L85 WeakPolarHBondContact CA-O 3.23Å; E61-L85 HydrophobicContact CB-CB 4.33Å; E61-L85 HydrophobicContact CB-CD2 4.44Å; E61-L85 HydrophobicContact CG-CB 4.13Å; E61-L85 HydrophobicContact CG-CD2 4.32Å
62	L	96.7	Very high	92.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	96.2	-179.2	-60.4	174.4	0	0	0	106.7	L46 L60 L65 L74 L85 I86 A87 N89 V94 L96	L46-L62 HydrophobicContact CD1-CD2 4.39Å; L46-L62 HydrophobicContact CD2-CD2 4.43Å; L60-L62 HydrophobicContact CD1-CD1 4.36Å; L60-L62 HydrophobicContact CD1-CD2 4.12Å; L60-L62 HydrophobicContact CD1-CG 4.13Å; L60-L62 HydrophobicContact CG-CD1 4.41Å; L60-L62 HydrophobicContact CG-CG 4.38Å; L62-L65 VanDerWaalsContact C-CD1 3.46Å; L62-L65 HydrophobicContact CB-CD1 3.93Å; L62-L74 HydrophobicContact CD1-CD1 3.6Å; L62-L74 HydrophobicContact CD2-CD1 4.05Å; L62-L74 HydrophobicContact CD2-CD2 4.14Å; L62-L85 PolarHBondContact N-O 2.03Å; L62-I86 HydrophobicContact CD1-CG1 4.5Å; L62-I86 WeakPolarHBondContact O-CA 3.38Å; L62-A87 PolarHBondContact O-N 3.44Å; L62-N89 PolarHBondContact O-ND2 3.38Å; L62-N89 PolarHBondContact O-OD1 2.72Å; L62-V94 HydrophobicContact CD1-CG1 3.63Å; L62-L96 HydrophobicContact CD1-CD1 4.19Å
63	T	95.3	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.3	-174.2	66	0	0	0	0	114	M31 H42 L65 L85 A87 N89	M31-T63 WeakPolarHBondContact CE-OG1 3.46Å; H42-T63 PolarHBondContact CD2-O 3.08Å; H42-T63 PolarHBondContact NE2-O 3.19Å; H42-T63 VanDerWaalsContact NE2-O 3.1Å; T63-L65 VanDerWaalsContact N-CD1 3.33Å; T63-L65 WeakPolarHBondContact O-CD1 3.26Å; T63-L65 PolarHBondContact O-N 3.34Å; T63-L85 HydrophobicContact CG2-CD2 4.11Å; T63-L85 HydrophobicContact CG2-CG 4.28Å; T63-A87 WeakPolarHBondContact CA-O 3.46Å; T63-A87 HydrophobicContact CG2-CB 4.01Å; T63-N89 VanDerWaalsContact C-OD1 3.26Å; T63-N89 WeakPolarHBondContact CA-OD1 3.49Å
64	Y	94.2	Very high	93.1	Very high	73 Å²	73	29.9 Å²	29.9	29%	0.286	17%	0.174	S	C	.	.	S	Bend	trans	57.1	21.2	177.1	-56	-81.1	0	0	0	116	L33 L35 P36 A87 H88 N89	L33-Y64 PolarHBondContact O-OH 2.03Å; L33-Y64 VanDerWaalsContact O-OH 3.06Å; L35-Y64 HydrophobicContact CG-CE1 4.25Å; L35-Y64 HydrophobicContact CG-CE2 4.46Å; P36-Y64 HydrophobicContact CG-CD2 4.24Å; Y64-A87 PolarHBondContact N-O 2.83Å; Y64-A87 VanDerWaalsContact N-O 3.14Å; Y64-H88 HydrophobicContact CD1-CB 3.79Å; Y64-H88 HydrophobicContact CE1-CB 3.71Å; Y64-H88 AromaticContact CE1-CD2 3.81Å; Y64-H88 AromaticContact CE1-CG 3.88Å; Y64-H88 HydrophobicContact CG-CB 4.37Å; Y64-H88 AromaticContact CZ-CD2 3.61Å; Y64-H88 PolarHBondContact OH-CD2 2.97Å; Y64-N89 PolarHBondContact N-OD1 3.17Å
65	L	93.8	Very high	93.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	18%	0.182	C	C	.	.			trans	-73.2	130.3	-177.2	-70.6	103.8	0	0	0	112.6	L43 L46 L62 T63 A69 L71 N89 Q90 V91	L43-L65 HydrophobicContact CD1-CD2 3.89Å; L46-L65 HydrophobicContact CD1-CD1 3.89Å; L46-L65 HydrophobicContact CD1-CD2 3.88Å; L46-L65 HydrophobicContact CD1-CG 4.1Å; L62-L65 VanDerWaalsContact C-CD1 3.46Å; L62-L65 HydrophobicContact CB-CD1 3.93Å; T63-L65 VanDerWaalsContact N-CD1 3.33Å; T63-L65 WeakPolarHBondContact O-CD1 3.26Å; T63-L65 PolarHBondContact O-N 3.34Å; L65-A69 HydrophobicContact CD2-CB 4.47Å; L65-L71 HydrophobicContact CD2-CD1 4.14Å; L65-L71 HydrophobicContact CD2-CD2 3.28Å; L65-L71 HydrophobicContact CD2-CG 4.36Å; L65-N89 HydrophobicContact CB-CB 4.46Å; L65-N89 WeakPolarHBondContact CB-OD1 3.22Å; L65-N89 WeakPolarHBondContact CD1-OD1 3.45Å; L65-N89 PolarHBondContact N-OD1 3.5Å; L65-Q90 PolarHBondContact O-N 3.5Å; L65-V91 PolarHBondContact O-N 3.13Å
66	P	91.2	Very high	93.3	Very high	75 Å²	75	32.8 Å²	32.8	49%	0.487	19%	0.188	S	C	.	.			trans	-75.3	159.9	-175.7	29.7	-35.4	0	0	0	113.4	N68 A69	P66-N68 PolarHBondContact O-N 3.21Å; P66-A69 HydrophobicContact CG-CB 4.19Å; P66-A69 VanDerWaalsContact O-CB 3.3Å; P66-A69 WeakPolarHBondContact O-CB 3.5Å; P66-A69 PolarHBondContact O-N 3.03Å
67	T	88.5	Confident	93.5	Very high	50 Å²	50	32.8 Å²	32.8	31%	0.307	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.3	-171.5	-43.8	0	0	0	0	115.5	Q90	T67-Q90 WeakPolarHBondContact CA-O 3.43Å; T67-Q90 WeakPolarHBondContact OG1-CB 3.31Å
68	N	86.4	Confident	93.8	Very high	146 Å²	146	33.2 Å²	33.2	78%	0.781	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	13.8	-176.2	-64.5	-17.3	0	0	0	113.4	P66 S70	P66-N68 PolarHBondContact O-N 3.21Å; N68-S70 PolarHBondContact O-N 3.41Å
69	A	89.6	Confident	94.1	Very high	13 Å²	13	33.8 Å²	33.8	11%	0.107	19%	0.19	C	C	.	.			trans	-64.5	128	177.6	0	0	0	0	0	111.5	L43 L65 P66 L71	L43-A69 HydrophobicContact CD1-CB 4.17Å; L43-A69 HydrophobicContact CD2-CB 3.96Å; L65-A69 HydrophobicContact CD2-CB 4.47Å; P66-A69 HydrophobicContact CG-CB 4.19Å; P66-A69 VanDerWaalsContact O-CB 3.3Å; P66-A69 WeakPolarHBondContact O-CB 3.5Å; P66-A69 PolarHBondContact O-N 3.03Å; A69-L71 HydrophobicContact CB-CD2 3.86Å; A69-L71 HydrophobicContact CB-CG 4.49Å; A69-L71 PolarHBondContact O-N 3.07Å
70	S	93.3	Very high	94.2	Very high	78 Å²	78	33.7 Å²	33.7	55%	0.545	19%	0.189	S	C	.	.			trans	-83	113.5	171.9	-174.7	0	0	0	0	110.2	N68 F73	N68-S70 PolarHBondContact O-N 3.41Å; S70-F73 WeakPolarHBondContact O-CE1 3.48Å
71	L	95	Very high	94	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.042	20%	0.196	C	C	.	.			trans	-107.1	18.1	-175.4	-51.4	-171.5	0	0	0	113.4	L43 L65 A69 F73 L74 V91 V94 P95	L43-L71 HydrophobicContact CD1-CD2 3.95Å; L65-L71 HydrophobicContact CD2-CD1 4.14Å; L65-L71 HydrophobicContact CD2-CD2 3.28Å; L65-L71 HydrophobicContact CD2-CG 4.36Å; A69-L71 HydrophobicContact CB-CD2 3.86Å; A69-L71 HydrophobicContact CB-CG 4.49Å; A69-L71 PolarHBondContact O-N 3.07Å; L71-F73 HydrophobicContact CD2-CE1 4.12Å; L71-F73 HydrophobicContact CD2-CZ 4.25Å; L71-F73 PolarHBondContact O-N 2.91Å; L71-L74 HydrophobicContact CB-CD1 4.09Å; L71-L74 HydrophobicContact CD1-CD1 4.5Å; L71-L74 WeakPolarHBondContact O-CB 3.44Å; L71-L74 PolarHBondContact O-N 2.83Å; L71-L74 VanDerWaalsContact O-N 3.08Å; L71-V91 HydrophobicContact CD1-CB 4.42Å; L71-V91 HydrophobicContact CD1-CG1 3.96Å; L71-V91 HydrophobicContact CD1-CG2 3.95Å; L71-V91 HydrophobicContact CG-CG2 4.36Å; L71-V94 HydrophobicContact CD1-CG2 4.11Å; L71-P95 HydrophobicContact CB-CG 4.05Å; L71-P95 WeakPolarHBondContact O-CG 3.14Å
72	S	94.6	Very high	93.9	Very high	63 Å²	63	35.1 Å²	35.1	44%	0.441	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-57.7	-23.3	-177.2	55.4	0	0	0	0	113.9	L74 Q75	S72-L74 PolarHBondContact O-N 2.87Å; S72-Q75 WeakPolarHBondContact O-CB 3.35Å; S72-Q75 VanDerWaalsContact O-CG 3.24Å; S72-Q75 WeakPolarHBondContact O-CG 3.4Å; S72-Q75 PolarHBondContact O-N 2.9Å
73	F	94.1	Very high	94	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.2	-17.1	177.3	62	-95.7	0	0	0	114.1	L43 L46 R47 Q51 S70 L71 Q75	L43-F73 HydrophobicContact CD1-CE1 4.19Å; L43-F73 HydrophobicContact CD1-CZ 4.34Å; L46-F73 HydrophobicContact CB-CE2 4.25Å; L46-F73 HydrophobicContact CB-CZ 4.08Å; L46-F73 VanDerWaalsContact O-CE2 3.29Å; L46-F73 WeakPolarHBondContact O-CE2 3.25Å; R47-F73 HydrophobicContact CB-CD1 4.22Å; R47-F73 HydrophobicContact CB-CE1 4.15Å; R47-F73 HydrophobicContact CB-CZ 4.4Å; R47-F73 HydrophobicContact CG-CB 4.39Å; R47-F73 HydrophobicContact CG-CD1 3.9Å; R47-F73 HydrophobicContact CG-CE1 4.33Å; R47-F73 HydrophobicContact CG-CG 4.12Å; Q51-F73 HydrophobicContact CB-CB 4.41Å; Q51-F73 VanDerWaalsContact OE1-CB 3.3Å; S70-F73 WeakPolarHBondContact O-CE1 3.48Å; L71-F73 HydrophobicContact CD2-CE1 4.12Å; L71-F73 HydrophobicContact CD2-CZ 4.25Å; L71-F73 PolarHBondContact O-N 2.91Å; F73-Q75 VanDerWaalsContact C-N 3.34Å
74	L	96	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-80.5	-10.2	177	-59.1	177.3	0	0	0	114.1	Y50 L60 L62 L71 S72 D76 I77 V94 L96	Y50-L74 HydrophobicContact CD2-CD2 4.25Å; Y50-L74 HydrophobicContact CG-CD2 4.26Å; L60-L74 HydrophobicContact CD1-CD2 4.49Å; L62-L74 HydrophobicContact CD1-CD1 3.6Å; L62-L74 HydrophobicContact CD2-CD1 4.05Å; L62-L74 HydrophobicContact CD2-CD2 4.14Å; L71-L74 HydrophobicContact CB-CD1 4.09Å; L71-L74 HydrophobicContact CD1-CD1 4.5Å; L71-L74 WeakPolarHBondContact O-CB 3.44Å; L71-L74 PolarHBondContact O-N 2.83Å; L71-L74 VanDerWaalsContact O-N 3.08Å; S72-L74 PolarHBondContact O-N 2.87Å; L74-D76 PolarHBondContact O-N 2.03Å; L74-D76 VanDerWaalsContact O-N 3.17Å; L74-I77 HydrophobicContact CB-CD1 4.31Å; L74-I77 HydrophobicContact CD2-CD1 3.74Å; L74-I77 PolarHBondContact O-N 2.03Å; L74-V94 HydrophobicContact CD1-CG1 4.01Å; L74-L96 HydrophobicContact CB-CD2 4.01Å
75	Q	94.2	Very high	94.3	Very high	86 Å²	86	31.7 Å²	31.7	40%	0.402	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.1	-168.8	-72.7	176	4.1	0	0	114.9	S72 F73 P95 R98	S72-Q75 WeakPolarHBondContact O-CB 3.35Å; S72-Q75 VanDerWaalsContact O-CG 3.24Å; S72-Q75 WeakPolarHBondContact O-CG 3.4Å; S72-Q75 PolarHBondContact O-N 2.9Å; F73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-P95 HydrophobicContact CG-CB 3.99Å; Q75-P95 HydrophobicContact CG-CG 4.24Å; Q75-R98 WeakPolarHBondContact O-CD 3.44Å; Q75-R98 VanDerWaalsContact O-CG 3.31Å; Q75-R98 WeakPolarHBondContact O-CG 3.49Å; Q75-R98 PolarHBondContact O-NE 3.49Å
76	D	95.2	Very high	94.5	Very high	48 Å²	48	31.6 Å²	31.6	26%	0.257	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-12.2	-178.5	-65.7	-52.8	0	0	0	113.6	C53 Q54 L74 Q78 R98	C53-D76 CarbonylContact O-C 3.24Å; Q54-D76 HydrophobicContact CG-CB 4.35Å; L74-D76 PolarHBondContact O-N 2.03Å; L74-D76 VanDerWaalsContact O-N 3.17Å; D76-Q78 PolarHBondContact O-N 3.04Å; D76-Q78 PolarHBondContact O-NE2 2.04Å; D76-R98 IonicContact OD1-CZ 2.77Å; D76-R98 IonicContact OD1-NH1 3.79Å; D76-R98 PolarHBondContact OD1-NH1 3.06Å; D76-R98 IonicContact OD1-NH2 3.21Å
77	I	96.5	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.			trans	-63.9	127.3	-178.8	-61	174.3	0	0	0	110.3	Y50 C53 V56 L60 L74 V80 L96 R98 L99	Y50-I77 HydrophobicContact CD1-CD1 4.31Å; Y50-I77 HydrophobicContact CG-CD1 4.49Å; C53-I77 WeakPolarHBondContact O-CA 3.32Å; C53-I77 WeakPolarHBondContact O-CG1 3.48Å; C53-I77 PolarHBondContact O-N 3.47Å; V56-I77 HydrophobicContact CG2-CD1 4.33Å; V56-I77 HydrophobicContact CG2-CG2 4.14Å; L60-I77 HydrophobicContact CD1-CD1 4.15Å; L60-I77 HydrophobicContact CD2-CD1 4.14Å; L60-I77 HydrophobicContact CD2-CG2 4.47Å; L74-I77 HydrophobicContact CB-CD1 4.31Å; L74-I77 HydrophobicContact CD2-CD1 3.74Å; L74-I77 PolarHBondContact O-N 2.03Å; I77-V80 HydrophobicContact CG2-CG2 4.22Å; I77-L96 HydrophobicContact CB-CD2 4.19Å; I77-L96 HydrophobicContact CD1-CD2 4.04Å; I77-L96 HydrophobicContact CG2-CD2 4.43Å; I77-R98 CarbonylContact O-C 3.19Å; I77-R98 WeakPolarHBondContact O-CB 3.46Å; I77-L99 HydrophobicContact CG2-CD1 4.3Å; I77-L99 PolarHBondContact O-N 3.07Å; I77-L99 VanDerWaalsContact O-N 3.12Å
78	Q	96	Very high	95	Very high	37 Å²	37	28.5 Å²	28.5	17%	0.173	16%	0.157	C	C	.	.			trans	-124.9	-31.3	-177.2	-75.9	169.5	92.1	0	0	113.2	Q54 D76 R98 R100	Q54-Q78 PolarHBondContact O-N 3.48Å; D76-Q78 PolarHBondContact O-N 3.04Å; D76-Q78 PolarHBondContact O-NE2 2.04Å; Q78-R98 HydrophobicContact CG-CB 4.05Å; Q78-R100 HydrophobicContact CB-CG 4.37Å; Q78-R100 PolarHBondContact O-N 2.84Å; Q78-R100 VanDerWaalsContact OE1-NE 3.11Å
79	E	95.7	Very high	95.4	Very high	25 Å²	25	21.6 Å²	21.6	12%	0.117	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.3	176	-48.6	-155	176.4	0	0	112.2	Q54 V55 V56 I101 R103	Q54-E79 PolarHBondContact O-N 3.05Å; V55-E79 WeakPolarHBondContact CA-O 3.32Å; V55-E79 HydrophobicContact CG1-CB 4.32Å; V55-E79 HydrophobicContact CG2-CB 4.26Å; V55-E79 HydrophobicContact CG2-CG 4.34Å; V56-E79 PolarHBondContact N-O 3.08Å; E79-I101 HydrophobicContact CB-CG2 3.78Å; E79-I101 HydrophobicContact CG-CG2 3.5Å; E79-I101 VanDerWaalsContact CG-CG2 3.5Å; E79-R103 IonicContact OE1-NH2 2.79Å; E79-R103 PolarHBondContact OE1-NH2 3.34Å; E79-R103 IonicContact OE2-CZ 3.34Å; E79-R103 IonicContact OE2-NE 2.8Å; E79-R103 PolarHBondContact OE2-NE 3.11Å; E79-R103 IonicContact OE2-NH2 2.9Å; E79-R103 PolarHBondContact OE2-NH2 3.35Å
80	V	97	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.3	169.9	176.3	0	0	0	0	109	V56 L60 I77 Y83 V84 L99 I101 V102 R103	V56-V80 HydrophobicContact CB-CG1 4.46Å; V56-V80 HydrophobicContact CB-CG2 4.13Å; V56-V80 HydrophobicContact CG2-CG2 4.14Å; L60-V80 HydrophobicContact CB-CG1 4.14Å; L60-V80 HydrophobicContact CB-CG2 3.95Å; L60-V80 HydrophobicContact CD2-CG2 4Å; I77-V80 HydrophobicContact CG2-CG2 4.22Å; V80-Y83 WeakPolarHBondContact CG1-O 3.47Å; V80-V84 HydrophobicContact CB-CG2 4.12Å; V80-V84 HydrophobicContact CG1-CG2 4.01Å; V80-V84 HydrophobicContact CG2-CG2 3.99Å; V80-L99 HydrophobicContact CB-CD1 4.47Å; V80-L99 HydrophobicContact CG2-CD1 3.81Å; V80-I101 PolarHBondContact N-O 2.89Å; V80-I101 VanDerWaalsContact N-O 3.15Å; V80-V102 HydrophobicContact CB-CG1 4.48Å; V80-V102 WeakPolarHBondContact O-CA 3.38Å; V80-R103 PolarHBondContact O-N 2.83Å
81	Q	94.5	Very high	95.5	Very high	30 Å²	30	20.2 Å²	20.2	14%	0.14	10%	0.104	C	C	.	.	S	Bend	trans	-75.7	-44.6	-174.9	-164	77.1	15.6	0	0	112.2	V56 R103 G104 T105	V56-Q81 WeakPolarHBondContact O-CB 3.09Å; V56-Q81 PolarHBondContact O-N 3.2Å; Q81-R103 CarbonylContact O-C 3.59Å; Q81-R103 WeakPolarHBondContact O-CB 3.35Å; Q81-R103 VanDerWaalsContact OE1-CD 3.3Å; Q81-G104 PolarHBondContact O-N 2.88Å; Q81-G104 VanDerWaalsContact O-N 3.12Å; Q81-T105 HydrophobicContact CG-CG2 4.03Å; Q81-T105 PolarHBondContact O-N 3.32Å; Q81-T105 PolarHBondContact O-OG1 3.47Å; Q81-T105 VanDerWaalsContact O-OG1 3.06Å
82	G	94.7	Very high	95.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-89.1	-128.7	177.4	0	0	0	0	0	112.1	G58 N59 V102 G104 Q106	G58-G82 WeakPolarHBondContact O-CA 3.08Å; G58-G82 PolarHBondContact O-N 2.91Å; N59-G82 WeakPolarHBondContact OD1-CA 3.44Å; G82-V102 WeakPolarHBondContact O-CG1 3.3Å; G82-G104 WeakPolarHBondContact O-CA 3.03Å; G82-G104 PolarHBondContact O-N 2.03Å; G82-G104 VanDerWaalsContact O-N 3.09Å; G82-Q106 CarbonylContact C-O 3.54Å
83	Y	97.7	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.			trans	-105.9	167.2	176	61.4	-99.1	0	0	0	113.3	K32 N59 L60 E61 V80 L85 Q106 F108 A113	K32-Y83 PolarHBondContact NZ-OH 2.86Å; N59-Y83 CarbonylContact C-O 3.54Å; N59-Y83 VanDerWaalsContact CA-O 3.27Å; N59-Y83 WeakPolarHBondContact CA-O 3.49Å; N59-Y83 HydrophobicContact CB-CD1 4.2Å; N59-Y83 HydrophobicContact CB-CD2 3.96Å; N59-Y83 HydrophobicContact CB-CE1 4.06Å; N59-Y83 HydrophobicContact CB-CE2 3.77Å; N59-Y83 HydrophobicContact CB-CG 4.17Å; N59-Y83 WeakPolarHBondContact OD1-CD1 3.4Å; N59-Y83 VanDerWaalsContact OD1-CE1 3.25Å; N59-Y83 WeakPolarHBondContact OD1-CE1 3.26Å; N59-Y83 PolarHBondContact OD1-N 2.76Å; N59-Y83 VanDerWaalsContact OD1-N 3.09Å; L60-Y83 PolarHBondContact N-O 2.98Å; E61-Y83 HydrophobicContact CG-CE2 3.96Å; E61-Y83 WeakPolarHBondContact OE1-CE2 3.37Å; E61-Y83 VanDerWaalsContact OE1-CZ 3.26Å; E61-Y83 PolarHBondContact OE1-OH 3.3Å; V80-Y83 WeakPolarHBondContact CG1-O 3.47Å; Y83-L85 HydrophobicContact CD2-CB 4.1Å; Y83-L85 HydrophobicContact CE2-CB 3.98Å; Y83-Q106 HydrophobicContact CD1-CB 4.15Å; Y83-Q106 HydrophobicContact CE1-CB 4.4Å; Y83-Q106 PolarHBondContact N-O 2.99Å; Y83-F108 HydrophobicContact CD1-CB 4.26Å; Y83-F108 VanDerWaalsContact CD1-N 3.32Å; Y83-F108 HydrophobicContact CD2-CB 3.89Å; Y83-F108 HydrophobicContact CE1-CB 4.42Å; Y83-F108 HydrophobicContact CE2-CB 4.08Å; Y83-F108 HydrophobicContact CE2-CD2 4.01Å; Y83-F108 HydrophobicContact CG-CB 3.99Å; Y83-A113 CarbonylContact C-O 3.29Å; Y83-A113 WeakPolarHBondContact CA-O 3.24Å; Y83-A113 WeakPolarHBondContact CB-O 3.39Å
84	V	98.4	Very high	95.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.5	171	-178.7	0	0	0	0	109.1	L60 V80 I86 L99 V102 A113 L114 A115	L60-V84 HydrophobicContact CB-CG2 4.33Å; L60-V84 HydrophobicContact CD2-CG1 4.33Å; L60-V84 HydrophobicContact CD2-CG2 4.5Å; L60-V84 HydrophobicContact CG-CG1 4.49Å; L60-V84 WeakPolarHBondContact O-CA 3.49Å; V80-V84 HydrophobicContact CB-CG2 4.12Å; V80-V84 HydrophobicContact CG1-CG2 4.01Å; V80-V84 HydrophobicContact CG2-CG2 3.99Å; V84-I86 HydrophobicContact CG1-CD1 4.37Å; V84-I86 HydrophobicContact CG1-CG1 4.21Å; V84-L99 HydrophobicContact CG2-CD2 4.2Å; V84-V102 HydrophobicContact CG2-CG1 4.21Å; V84-V102 HydrophobicContact CG2-CG2 3.72Å; V84-A113 PolarHBondContact N-O 2.91Å; V84-L114 HydrophobicContact CB-CD1 3.9Å; V84-L114 HydrophobicContact CG1-CD1 3.9Å; V84-L114 WeakPolarHBondContact O-CA 3.47Å; V84-A115 PolarHBondContact O-N 3.46Å
85	L	98.2	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.6	177.5	176.5	65.9	0	0	0	109.7	L33 L60 E61 L62 T63 Y83 A87 F108 A115 L117	L33-L85 HydrophobicContact CD2-CD1 4.32Å; L33-L85 HydrophobicContact CD2-CD2 4.22Å; L60-L85 PolarHBondContact O-N 3.46Å; E61-L85 WeakPolarHBondContact CA-O 3.23Å; E61-L85 HydrophobicContact CB-CB 4.33Å; E61-L85 HydrophobicContact CB-CD2 4.44Å; E61-L85 HydrophobicContact CG-CB 4.13Å; E61-L85 HydrophobicContact CG-CD2 4.32Å; L62-L85 PolarHBondContact N-O 2.03Å; T63-L85 HydrophobicContact CG2-CD2 4.11Å; T63-L85 HydrophobicContact CG2-CG 4.28Å; Y83-L85 HydrophobicContact CD2-CB 4.1Å; Y83-L85 HydrophobicContact CE2-CB 3.98Å; L85-A87 HydrophobicContact CD1-CB 4Å; L85-A87 HydrophobicContact CG-CB 4.27Å; L85-F108 HydrophobicContact CD1-CD2 4.03Å; L85-F108 HydrophobicContact CD1-CE1 4.43Å; L85-F108 HydrophobicContact CD1-CE2 3.82Å; L85-F108 HydrophobicContact CD1-CG 4.43Å; L85-F108 HydrophobicContact CD1-CZ 4.04Å; L85-F108 HydrophobicContact CD2-CD2 3.98Å; L85-F108 HydrophobicContact CD2-CE2 3.7Å; L85-F108 HydrophobicContact CG-CD2 4.48Å; L85-F108 HydrophobicContact CG-CE2 4.38Å; L85-A115 CarbonylContact C-O 3.57Å; L85-A115 WeakPolarHBondContact CA-O 3.33Å; L85-A115 HydrophobicContact CD1-CB 3.67Å; L85-L117 HydrophobicContact CD1-CD1 4.28Å
86	I	97.7	Very high	95.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	95.1	176.5	-56.3	177.6	0	0	0	107	L62 V84 N89 V94 L96 A115 V116 L117 N119 L137 L140	L62-I86 HydrophobicContact CD1-CG1 4.5Å; L62-I86 WeakPolarHBondContact O-CA 3.38Å; V84-I86 HydrophobicContact CG1-CD1 4.37Å; V84-I86 HydrophobicContact CG1-CG1 4.21Å; I86-N89 WeakPolarHBondContact CG2-ND2 3.37Å; I86-V94 HydrophobicContact CD1-CG1 4.29Å; I86-V94 HydrophobicContact CG2-CG2 4.28Å; I86-L96 HydrophobicContact CD1-CD1 4.31Å; I86-A115 PolarHBondContact N-O 2.96Å; I86-V116 HydrophobicContact CB-CG1 4.42Å; I86-V116 HydrophobicContact CB-CG2 4.47Å; I86-V116 CarbonylContact O-C 3.57Å; I86-V116 VanDerWaalsContact O-CA 3.3Å; I86-V116 WeakPolarHBondContact O-CA 3.49Å; I86-L117 PolarHBondContact O-N 2.93Å; I86-N119 PolarHBondContact O-ND2 3.24Å; I86-N119 PolarHBondContact O-OD1 3.28Å; I86-L137 HydrophobicContact CG2-CD2 4.23Å; I86-L140 HydrophobicContact CD1-CD2 4.22Å
87	A	96.6	Very high	95.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.7	-170.6	0	0	0	0	0	116.1	L33 L62 T63 Y64 L85 N89 L117	L33-A87 HydrophobicContact CD2-CB 3.36Å; L62-A87 PolarHBondContact O-N 3.44Å; T63-A87 WeakPolarHBondContact CA-O 3.46Å; T63-A87 HydrophobicContact CG2-CB 4.01Å; Y64-A87 PolarHBondContact N-O 2.83Å; Y64-A87 VanDerWaalsContact N-O 3.14Å; L85-A87 HydrophobicContact CD1-CB 4Å; L85-A87 HydrophobicContact CG-CB 4.27Å; A87-N89 PolarHBondContact N-ND2 2.94Å; A87-N89 VanDerWaalsContact N-ND2 3.17Å; A87-N89 PolarHBondContact O-N 2.99Å; A87-N89 VanDerWaalsContact O-N 3.13Å; A87-N89 PolarHBondContact O-ND2 2.82Å; A87-N89 PolarHBondContact O-OD1 3.12Å; A87-L117 CarbonylContact C-O 3.58Å; A87-L117 WeakPolarHBondContact CA-O 3.1Å; A87-L117 HydrophobicContact CB-CB 4.04Å
88	H	94.6	Very high	95.1	Very high	60 Å²	60	26.1 Å²	26.1	28%	0.278	12%	0.116	S	C	.	.	S	Bend	trans	56.9	22.9	177.1	-59.4	-59.3	0	0	0	115.4	Y64 L117 D118	Y64-H88 HydrophobicContact CD1-CB 3.79Å; Y64-H88 HydrophobicContact CE1-CB 3.71Å; Y64-H88 AromaticContact CE1-CD2 3.81Å; Y64-H88 AromaticContact CE1-CG 3.88Å; Y64-H88 HydrophobicContact CG-CB 4.37Å; Y64-H88 AromaticContact CZ-CD2 3.61Å; Y64-H88 PolarHBondContact OH-CD2 2.97Å; H88-L117 PolarHBondContact N-O 3.38Å; H88-D118 WeakPolarHBondContact CA-O 3.32Å; H88-D118 IonicContact CE1-OD2 3.93Å; H88-D118 VanDerWaalsContact ND1-CB 3.31Å; H88-D118 WeakPolarHBondContact ND1-CB 3.2Å
89	N	94.4	Very high	95.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.108	C	C	.	.			trans	-87.4	138.9	-176.4	-54.5	-67.2	0	0	0	112.7	L62 T63 Y64 L65 I86 A87 V91 N119 G120	L62-N89 PolarHBondContact O-ND2 3.38Å; L62-N89 PolarHBondContact O-OD1 2.72Å; T63-N89 VanDerWaalsContact C-OD1 3.26Å; T63-N89 WeakPolarHBondContact CA-OD1 3.49Å; Y64-N89 PolarHBondContact N-OD1 3.17Å; L65-N89 HydrophobicContact CB-CB 4.46Å; L65-N89 WeakPolarHBondContact CB-OD1 3.22Å; L65-N89 WeakPolarHBondContact CD1-OD1 3.45Å; L65-N89 PolarHBondContact N-OD1 3.5Å; I86-N89 WeakPolarHBondContact CG2-ND2 3.37Å; A87-N89 PolarHBondContact N-ND2 2.94Å; A87-N89 VanDerWaalsContact N-ND2 3.17Å; A87-N89 PolarHBondContact O-N 2.99Å; A87-N89 VanDerWaalsContact O-N 3.13Å; A87-N89 PolarHBondContact O-ND2 2.82Å; A87-N89 PolarHBondContact O-OD1 3.12Å; N89-V91 HydrophobicContact CB-CG1 4.05Å; N89-N119 WeakPolarHBondContact CB-OD1 3.43Å; N89-N119 PolarHBondContact N-OD1 2.04Å; N89-N119 PolarHBondContact ND2-OD1 2.87Å; N89-N119 CarbonylContact O-C 3.51Å; N89-N119 VanDerWaalsContact O-C 3.31Å; N89-N119 VanDerWaalsContact O-CA 3.26Å; N89-N119 WeakPolarHBondContact O-CA 3.05Å; N89-G120 PolarHBondContact O-N 2.83Å
90	Q	91.8	Very high	95.2	Very high	54 Å²	54	26.3 Å²	26.3	25%	0.252	11%	0.114	S	C	.	.			trans	-97.1	-8.2	173.1	-57.3	-59.2	-29.5	0	0	112.6	L65 T67 D121 G136	L65-Q90 PolarHBondContact O-N 3.5Å; T67-Q90 WeakPolarHBondContact CA-O 3.43Å; T67-Q90 WeakPolarHBondContact OG1-CB 3.31Å; Q90-D121 VanDerWaalsContact NE2-N 3.19Å; Q90-G136 PolarHBondContact O-N 3.04Å
91	V	92.8	Very high	95.2	Very high	8 Å²	8	26.3 Å²	26.3	5%	0.048	11%	0.114	C	C	.	.			trans	-59.1	144.4	172.8	79.5	0	0	0	0	111.6	L65 L71 N89 V94 G136 L137	L65-V91 PolarHBondContact O-N 3.13Å; L71-V91 HydrophobicContact CD1-CB 4.42Å; L71-V91 HydrophobicContact CD1-CG1 3.96Å; L71-V91 HydrophobicContact CD1-CG2 3.95Å; L71-V91 HydrophobicContact CG-CG2 4.36Å; N89-V91 HydrophobicContact CB-CG1 4.05Å; V91-V94 HydrophobicContact CG1-CG2 3.86Å; V91-G136 CarbonylContact O-C 3.47Å; V91-G136 VanDerWaalsContact O-C 3.29Å; V91-L137 PolarHBondContact O-N 3.07Å
92	R	90.9	Very high	95.4	Very high	80 Å²	80	24.9 Å²	24.9	30%	0.302	11%	0.107	S	C	.	.	S	Bend	trans	-82	-21	-173.4	-66.2	174.7	178.9	141	-1.5	114.6	A132 S133 G136 R138	R92-A132 PolarHBondContact NH2-O 3.03Å; R92-S133 PolarHBondContact NH2-O 2.96Å; R92-S133 PolarHBondContact NH2-OG 2.81Å; R92-G136 WeakPolarHBondContact CA-O 3.06Å; R92-R138 HydrophobicContact CB-CG 4.48Å; R92-R138 WeakPolarHBondContact O-CB 3.17Å; R92-R138 PolarHBondContact O-N 2.87Å
93	Q	91.6	Very high	95.5	Very high	92 Å²	92	25.7 Å²	25.7	43%	0.43	11%	0.11	S	C	.	.	B	Isolated β-bridge	trans	-157.9	138.9	-169.3	-173.9	-175	-0	0	0	108.7
94	V	94.6	Very high	95.3	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.024	11%	0.11	C	C	.	.			trans	-119.5	110	176.4	174.3	0	0	0	0	107.8	L62 L71 L74 I86 V91 L96 L137	L62-V94 HydrophobicContact CD1-CG1 3.63Å; L71-V94 HydrophobicContact CD1-CG2 4.11Å; L74-V94 HydrophobicContact CD1-CG1 4.01Å; I86-V94 HydrophobicContact CD1-CG1 4.29Å; I86-V94 HydrophobicContact CG2-CG2 4.28Å; V91-V94 HydrophobicContact CG1-CG2 3.86Å; V94-L96 VanDerWaalsContact C-N 3.34Å; V94-L96 HydrophobicContact CG1-CD1 3.79Å; V94-L96 HydrophobicContact CG1-CG 3.99Å; V94-L96 PolarHBondContact O-N 3.25Å; V94-L137 HydrophobicContact CB-CD1 4.42Å; V94-L137 HydrophobicContact CG2-CD1 3.99Å
95	P	94.4	Very high	95	Very high	12 Å²	12	29.5 Å²	29.5	8%	0.078	13%	0.134	C	C	.	.			trans	-85.2	72.6	-165.4	35	-37.3	0	0	0	112.7	L71 Q75 Q97	L71-P95 HydrophobicContact CB-CG 4.05Å; L71-P95 WeakPolarHBondContact O-CG 3.14Å; Q75-P95 HydrophobicContact CG-CB 3.99Å; Q75-P95 HydrophobicContact CG-CG 4.24Å; P95-Q97 PolarHBondContact O-OE1 3.46Å
96	L	96.1	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.153	C	C	.	.			trans	-100.3	33.2	176.1	-70.6	168.8	0	0	0	112.3	L60 L62 L74 I77 I86 V94 R98 L99 L142	L60-L96 HydrophobicContact CD2-CD1 3.95Å; L60-L96 HydrophobicContact CD2-CD2 3.79Å; L62-L96 HydrophobicContact CD1-CD1 4.19Å; L74-L96 HydrophobicContact CB-CD2 4.01Å; I77-L96 HydrophobicContact CB-CD2 4.19Å; I77-L96 HydrophobicContact CD1-CD2 4.04Å; I77-L96 HydrophobicContact CG2-CD2 4.43Å; I86-L96 HydrophobicContact CD1-CD1 4.31Å; V94-L96 VanDerWaalsContact C-N 3.34Å; V94-L96 HydrophobicContact CG1-CD1 3.79Å; V94-L96 HydrophobicContact CG1-CG 3.99Å; V94-L96 PolarHBondContact O-N 3.25Å; L96-R98 PolarHBondContact O-N 2.79Å; L96-L99 HydrophobicContact CB-CB 4.38Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.05Å; L96-L99 VanDerWaalsContact O-N 3.08Å; L96-L142 HydrophobicContact CB-CD2 3.59Å; L96-L142 HydrophobicContact CD1-CD2 4.42Å
97	Q	94.6	Very high	94.6	Very high	32 Å²	32	34.6 Å²	34.6	15%	0.15	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.8	-171.8	-61.9	86.7	-1.4	0	0	114.6	P95 Q141 R143 S144	P95-Q97 PolarHBondContact O-OE1 3.46Å; Q97-Q141 WeakPolarHBondContact CA-O 3.22Å; Q97-Q141 HydrophobicContact CG-CB 4.12Å; Q97-R143 HydrophobicContact CB-CG 4.1Å; Q97-R143 WeakPolarHBondContact O-CG 3.38Å; Q97-S144 VanDerWaalsContact O-CB 3.31Å; Q97-S144 WeakPolarHBondContact O-CB 3.07Å; Q97-S144 PolarHBondContact O-OG 3.48Å
98	R	95.9	Very high	94.6	Very high	111 Å²	111	35 Å²	35	42%	0.419	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-9.4	177.8	-65.3	-163	-165	151.3	12.3	114.7	Q75 D76 I77 Q78 L96 R100	Q75-R98 WeakPolarHBondContact O-CD 3.44Å; Q75-R98 VanDerWaalsContact O-CG 3.31Å; Q75-R98 WeakPolarHBondContact O-CG 3.49Å; Q75-R98 PolarHBondContact O-NE 3.49Å; D76-R98 IonicContact OD1-CZ 2.77Å; D76-R98 IonicContact OD1-NH1 3.79Å; D76-R98 PolarHBondContact OD1-NH1 3.06Å; D76-R98 IonicContact OD1-NH2 3.21Å; I77-R98 CarbonylContact O-C 3.19Å; I77-R98 WeakPolarHBondContact O-CB 3.46Å; Q78-R98 HydrophobicContact CG-CB 4.05Å; L96-R98 PolarHBondContact O-N 2.79Å; R98-R100 VanDerWaalsContact O-CG 3.23Å; R98-R100 WeakPolarHBondContact O-CG 2.99Å; R98-R100 PolarHBondContact O-N 3.5Å; R98-R100 VanDerWaalsContact O-N 3.14Å
99	L	97.2	Very high	94.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.17	C	C	.	.			trans	-59.9	116.9	179	178.3	62	0	0	0	109.7	I77 V80 V84 L96 V102 L142 S144 L145	I77-L99 HydrophobicContact CG2-CD1 4.3Å; I77-L99 PolarHBondContact O-N 3.07Å; I77-L99 VanDerWaalsContact O-N 3.12Å; V80-L99 HydrophobicContact CB-CD1 4.47Å; V80-L99 HydrophobicContact CG2-CD1 3.81Å; V84-L99 HydrophobicContact CG2-CD2 4.2Å; L96-L99 HydrophobicContact CB-CB 4.38Å; L96-L99 WeakPolarHBondContact O-CB 3.36Å; L96-L99 PolarHBondContact O-N 3.05Å; L96-L99 VanDerWaalsContact O-N 3.08Å; L99-V102 HydrophobicContact CD1-CG2 4.44Å; L99-V102 HydrophobicContact CD2-CG2 4.13Å; L99-L142 HydrophobicContact CD2-CD2 4.41Å; L99-S144 CarbonylContact O-C 3.57Å; L99-S144 VanDerWaalsContact O-CB 3.31Å; L99-S144 WeakPolarHBondContact O-CB 3.06Å; L99-L145 VanDerWaalsContact O-CA 3.24Å; L99-L145 WeakPolarHBondContact O-CA 3.45Å; L99-L145 PolarHBondContact O-N 3.15Å
100	R	96.4	Very high	94.3	Very high	65 Å²	65	43.7 Å²	43.7	25%	0.245	21%	0.205	C	C	.	.			trans	-98	-40.9	-174.5	-48.7	-175.5	-172.2	-79.7	0.7	112.4	Q78 R98 S144 T146 E147 A242 L253	Q78-R100 HydrophobicContact CB-CG 4.37Å; Q78-R100 PolarHBondContact O-N 2.84Å; Q78-R100 VanDerWaalsContact OE1-NE 3.11Å; R98-R100 VanDerWaalsContact O-CG 3.23Å; R98-R100 WeakPolarHBondContact O-CG 2.99Å; R98-R100 PolarHBondContact O-N 3.5Å; R98-R100 VanDerWaalsContact O-N 3.14Å; R100-S144 WeakPolarHBondContact CA-O 3.19Å; R100-T146 PolarHBondContact O-N 2.96Å; R100-T146 VanDerWaalsContact O-N 3.08Å; R100-E147 PolarHBondContact O-N 2.97Å; R100-A242 HydrophobicContact CB-CB 4.03Å; R100-L253 WeakPolarHBondContact CD-O 3.1Å
101	I	96.9	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	137.8	-167.6	-175.6	167.2	0	0	0	111.5	E79 V80 R103 E147 L149 A241 A254	E79-I101 HydrophobicContact CB-CG2 3.78Å; E79-I101 HydrophobicContact CG-CG2 3.5Å; E79-I101 VanDerWaalsContact CG-CG2 3.5Å; V80-I101 PolarHBondContact N-O 2.89Å; V80-I101 VanDerWaalsContact N-O 3.15Å; I101-R103 HydrophobicContact CD1-CG 4.09Å; I101-R103 HydrophobicContact CG1-CG 4.04Å; I101-E147 WeakPolarHBondContact CA-O 3.37Å; I101-E147 HydrophobicContact CB-CB 4.16Å; I101-E147 HydrophobicContact CD1-CB 4.14Å; I101-E147 HydrophobicContact CD1-CG 3.7Å; I101-E147 HydrophobicContact CG1-CB 3.88Å; I101-E147 HydrophobicContact CG1-CG 3.8Å; I101-L149 HydrophobicContact CD1-CD1 4.05Å; I101-L149 HydrophobicContact CD1-CD2 4.33Å; I101-L149 HydrophobicContact CD1-CG 4.03Å; I101-L149 HydrophobicContact CG1-CG 4.48Å; I101-A241 HydrophobicContact CD1-CB 3.78Å; I101-A254 HydrophobicContact CB-CB 4.43Å; I101-A254 HydrophobicContact CD1-CB 4.4Å; I101-A254 HydrophobicContact CG2-CB 3.97Å
102	V	97.8	Very high	94.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.6	164.5	-174.5	0	0	0	0	107.8	V80 G82 V84 L99 A113 L145 E147 I148 L149	V80-V102 HydrophobicContact CB-CG1 4.48Å; V80-V102 WeakPolarHBondContact O-CA 3.38Å; G82-V102 WeakPolarHBondContact O-CG1 3.3Å; V84-V102 HydrophobicContact CG2-CG1 4.21Å; V84-V102 HydrophobicContact CG2-CG2 3.72Å; L99-V102 HydrophobicContact CD1-CG2 4.44Å; L99-V102 HydrophobicContact CD2-CG2 4.13Å; V102-A113 HydrophobicContact CG1-CB 4.13Å; V102-L145 HydrophobicContact CG2-CD1 4.16Å; V102-E147 PolarHBondContact N-O 2.92Å; V102-I148 HydrophobicContact CB-CG1 4.36Å; V102-I148 WeakPolarHBondContact O-CA 3.42Å; V102-L149 PolarHBondContact O-N 3.23Å
103	R	96.2	Very high	95	Very high	16 Å²	16	41 Å²	41	6%	0.06	20%	0.196	C	C	.	.			trans	-85.7	-21.4	-169.8	-61.9	176.4	174.1	-83.4	-1.7	113.1	E79 V80 Q81 I101 T105 L149 C255 L256	E79-R103 IonicContact OE1-NH2 2.79Å; E79-R103 PolarHBondContact OE1-NH2 3.34Å; E79-R103 IonicContact OE2-CZ 3.34Å; E79-R103 IonicContact OE2-NE 2.8Å; E79-R103 PolarHBondContact OE2-NE 3.11Å; E79-R103 IonicContact OE2-NH2 2.9Å; E79-R103 PolarHBondContact OE2-NH2 3.35Å; V80-R103 PolarHBondContact O-N 2.83Å; Q81-R103 CarbonylContact O-C 3.59Å; Q81-R103 WeakPolarHBondContact O-CB 3.35Å; Q81-R103 VanDerWaalsContact OE1-CD 3.3Å; I101-R103 HydrophobicContact CD1-CG 4.09Å; I101-R103 HydrophobicContact CG1-CG 4.04Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-T105 PolarHBondContact O-N 3.15Å; R103-L149 HydrophobicContact CB-CD1 4.15Å; R103-L149 HydrophobicContact CG-CD1 3.97Å; R103-C255 PolarHBondContact NH1-O 2.97Å; R103-C255 PolarHBondContact NH2-O 3.16Å; R103-L256 PolarHBondContact NH1-O 3.34Å
104	G	94.6	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.			trans	65.6	31	171.4	0	0	0	0	0	114.5	Q81 G82 Q106	Q81-G104 PolarHBondContact O-N 2.88Å; Q81-G104 VanDerWaalsContact O-N 3.12Å; G82-G104 WeakPolarHBondContact O-CA 3.03Å; G82-G104 PolarHBondContact O-N 2.03Å; G82-G104 VanDerWaalsContact O-N 3.09Å; G104-Q106 VanDerWaalsContact C-N 3.27Å; G104-Q106 CarbonylContact C-O 3.35Å; G104-Q106 PolarHBondContact O-N 2.92Å
105	T	91.9	Very high	95.5	Very high	82 Å²	82	36.5 Å²	36.5	50%	0.503	18%	0.175	S	C	.	.	S	Bend	trans	-65.3	-35.9	176.6	62.2	0	0	0	0	111.6	Q81 R103	Q81-T105 HydrophobicContact CG-CG2 4.03Å; Q81-T105 PolarHBondContact O-N 3.32Å; Q81-T105 PolarHBondContact O-OG1 3.47Å; Q81-T105 VanDerWaalsContact O-OG1 3.06Å; R103-T105 VanDerWaalsContact C-N 3.34Å; R103-T105 PolarHBondContact O-N 3.15Å
106	Q	92.7	Very high	95.6	Very high	88 Å²	88	36 Å²	36	41%	0.411	17%	0.172	S	C	.	.	S	Bend	trans	-108.7	154	161.8	-59.3	-177.9	25.8	0	0	108.9	N59 G82 Y83 G104	N59-Q106 PolarHBondContact ND2-OE1 3.03Å; N59-Q106 PolarHBondContact OD1-OE1 3.03Å; G82-Q106 CarbonylContact C-O 3.54Å; Y83-Q106 HydrophobicContact CD1-CB 4.15Å; Y83-Q106 HydrophobicContact CE1-CB 4.4Å; Y83-Q106 PolarHBondContact N-O 2.99Å; G104-Q106 VanDerWaalsContact C-N 3.27Å; G104-Q106 CarbonylContact C-O 3.35Å; G104-Q106 PolarHBondContact O-N 2.92Å
107	L	95.7	Very high	95.6	Very high	20 Å²	20	36.1 Å²	36.1	11%	0.105	17%	0.173	C	C	.	.			trans	-132.5	144	179.7	-63.3	175.9	0	0	0	110.9	D110 Y112 A113 K150 L179	L107-D110 VanDerWaalsContact CD1-O 3.27Å; L107-D110 WeakPolarHBondContact CD1-O 3.03Å; L107-Y112 CarbonylContact C-O 3.59Å; L107-Y112 WeakPolarHBondContact CA-O 3.42Å; L107-A113 HydrophobicContact CD2-CB 3.9Å; L107-K150 HydrophobicContact CD1-CD 4.49Å; L107-K150 HydrophobicContact CD1-CG 4.39Å; L107-L179 HydrophobicContact CD1-CD1 3.64Å
108	F	95.6	Very high	95.6	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-76.1	133.8	170.6	-175	-94.5	0	0	0	109.1	K32 L33 Y83 L85 D110 N111 Y112 A115 L117	K32-F108 HydrophobicContact CB-CE2 4.3Å; L33-F108 HydrophobicContact CD1-CZ 4.03Å; L33-F108 HydrophobicContact CD2-CZ 4.47Å; L33-F108 HydrophobicContact CG-CE2 4.28Å; L33-F108 HydrophobicContact CG-CZ 4Å; Y83-F108 HydrophobicContact CD1-CB 4.26Å; Y83-F108 VanDerWaalsContact CD1-N 3.32Å; Y83-F108 HydrophobicContact CD2-CB 3.89Å; Y83-F108 HydrophobicContact CE1-CB 4.42Å; Y83-F108 HydrophobicContact CE2-CB 4.08Å; Y83-F108 HydrophobicContact CE2-CD2 4.01Å; Y83-F108 HydrophobicContact CG-CB 3.99Å; L85-F108 HydrophobicContact CD1-CD2 4.03Å; L85-F108 HydrophobicContact CD1-CE1 4.43Å; L85-F108 HydrophobicContact CD1-CE2 3.82Å; L85-F108 HydrophobicContact CD1-CG 4.43Å; L85-F108 HydrophobicContact CD1-CZ 4.04Å; L85-F108 HydrophobicContact CD2-CD2 3.98Å; L85-F108 HydrophobicContact CD2-CE2 3.7Å; L85-F108 HydrophobicContact CG-CD2 4.48Å; L85-F108 HydrophobicContact CG-CE2 4.38Å; F108-D110 PolarHBondContact O-N 3.44Å; F108-D110 VanDerWaalsContact O-N 3.15Å; F108-N111 PolarHBondContact O-N 3.27Å; F108-N111 VanDerWaalsContact O-N 3.16Å; F108-Y112 PolarHBondContact N-O 2.04Å; F108-Y112 PolarHBondContact O-N 3.03Å; F108-A115 HydrophobicContact CB-CB 4.4Å; F108-A115 HydrophobicContact CD1-CB 3.74Å; F108-A115 HydrophobicContact CE1-CB 4.25Å; F108-A115 HydrophobicContact CG-CB 4.11Å; F108-L117 HydrophobicContact CE1-CD1 3.91Å; F108-L117 HydrophobicContact CZ-CD1 4.1Å
109	E	92.9	Very high	95.4	Very high	106 Å²	106	31.3 Å²	31.3	50%	0.495	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	36.1	-171.2	-65.4	170.7	-179.4	0	0	112.7	N111 Y112	E109-N111 PolarHBondContact O-N 3.25Å; E109-N111 PolarHBondContact O-ND2 3.25Å; E109-Y112 HydrophobicContact CB-CD2 4.16Å; E109-Y112 HydrophobicContact CB-CE2 4.3Å
110	D	89.4	Confident	94.7	Very high	139 Å²	139	31.6 Å²	31.6	74%	0.743	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	-0.2	-176.3	-66.9	-64	0	0	0	116.7	L107 F108	L107-D110 VanDerWaalsContact CD1-O 3.27Å; L107-D110 WeakPolarHBondContact CD1-O 3.03Å; F108-D110 PolarHBondContact O-N 3.44Å; F108-D110 VanDerWaalsContact O-N 3.15Å
111	N	95.1	Very high	93.4	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-32.4	-169.9	-73.8	-85.3	0	0	0	113.9	F108 E109 G151 G152	F108-N111 PolarHBondContact O-N 3.27Å; F108-N111 VanDerWaalsContact O-N 3.16Å; E109-N111 PolarHBondContact O-N 3.25Å; E109-N111 PolarHBondContact O-ND2 3.25Å; N111-G151 CarbonylContact O-C 3.55Å; N111-G151 WeakPolarHBondContact O-CA 3.45Å; N111-G152 PolarHBondContact O-N 2.89Å
112	Y	97.6	Very high	91.7	Very high	25 Å²	25	36.8 Å²	36.8	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.4	-167.3	-52.4	-69	0	0	0	113	L107 F108 E109 G152 L154 L183	L107-Y112 CarbonylContact C-O 3.59Å; L107-Y112 WeakPolarHBondContact CA-O 3.42Å; F108-Y112 PolarHBondContact N-O 2.04Å; F108-Y112 PolarHBondContact O-N 3.03Å; E109-Y112 HydrophobicContact CB-CD2 4.16Å; E109-Y112 HydrophobicContact CB-CE2 4.3Å; Y112-G152 WeakPolarHBondContact CA-O 3.32Å; Y112-L154 HydrophobicContact CD1-CB 3.74Å; Y112-L154 HydrophobicContact CD2-CB 3.99Å; Y112-L154 HydrophobicContact CD2-CD2 3.88Å; Y112-L154 HydrophobicContact CD2-CG 4.49Å; Y112-L154 HydrophobicContact CE1-CB 3.95Å; Y112-L154 HydrophobicContact CE1-CD1 4.46Å; Y112-L154 HydrophobicContact CE2-CB 4.2Å; Y112-L154 HydrophobicContact CE2-CD1 4.43Å; Y112-L154 HydrophobicContact CE2-CD2 3.78Å; Y112-L154 HydrophobicContact CE2-CG 4.36Å; Y112-L154 HydrophobicContact CG-CB 3.74Å; Y112-L154 HydrophobicContact CG-CD2 4.49Å; Y112-L183 HydrophobicContact CE1-CD1 4.5Å
113	A	97.7	Very high	89.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-20.1	172.2	0	0	0	0	0	112.4	Y83 V84 V102 L107 I148 K150 G152	Y83-A113 CarbonylContact C-O 3.29Å; Y83-A113 WeakPolarHBondContact CA-O 3.24Å; Y83-A113 WeakPolarHBondContact CB-O 3.39Å; V84-A113 PolarHBondContact N-O 2.91Å; V102-A113 HydrophobicContact CG1-CB 4.13Å; L107-A113 HydrophobicContact CD2-CB 3.9Å; A113-I148 HydrophobicContact CB-CG2 3.72Å; A113-K150 VanDerWaalsContact CB-O 3.29Å; A113-K150 WeakPolarHBondContact CB-O 3.33Å; A113-G152 PolarHBondContact N-O 2.85Å
114	L	98.3	Very high	87.9	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	119.5	172.1	175	62.6	0	0	0	109.4	V84 V116 L142 L145 G152 V153 L154 W169	V84-L114 HydrophobicContact CB-CD1 3.9Å; V84-L114 HydrophobicContact CG1-CD1 3.9Å; V84-L114 WeakPolarHBondContact O-CA 3.47Å; L114-V116 HydrophobicContact CD1-CG2 3.98Å; L114-V116 HydrophobicContact CG-CG2 4.22Å; L114-L142 HydrophobicContact CD2-CD1 4.08Å; L114-L145 HydrophobicContact CD2-CD2 4.47Å; L114-G152 PolarHBondContact N-O 3.03Å; L114-V153 HydrophobicContact CB-CG2 4.29Å; L114-V153 HydrophobicContact CD2-CG1 4.23Å; L114-V153 HydrophobicContact CG-CG1 4.47Å; L114-V153 WeakPolarHBondContact O-CA 3.03Å; L114-L154 PolarHBondContact O-N 2.92Å; L114-W169 HydrophobicContact CD2-CH2 3.87Å; L114-W169 HydrophobicContact CD2-CZ3 3.93Å
115	A	98.1	Very high	86	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.3	177.4	0	0	0	0	0	110.5	V84 L85 I86 F108 L154	V84-A115 PolarHBondContact O-N 3.46Å; L85-A115 CarbonylContact C-O 3.57Å; L85-A115 WeakPolarHBondContact CA-O 3.33Å; L85-A115 HydrophobicContact CD1-CB 3.67Å; I86-A115 PolarHBondContact N-O 2.96Å; F108-A115 HydrophobicContact CB-CB 4.4Å; F108-A115 HydrophobicContact CD1-CB 3.74Å; F108-A115 HydrophobicContact CE1-CB 4.25Å; F108-A115 HydrophobicContact CG-CB 4.11Å; A115-L154 CarbonylContact C-O 3.43Å; A115-L154 VanDerWaalsContact CA-O 3.3Å; A115-L154 WeakPolarHBondContact CA-O 3.07Å
116	V	97.6	Very high	84.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	99.4	-177.1	-173.2	0	0	0	0	109.3	I86 L114 L137 L140 L154 I155 Q156 N158 L161	I86-V116 HydrophobicContact CB-CG1 4.42Å; I86-V116 HydrophobicContact CB-CG2 4.47Å; I86-V116 CarbonylContact O-C 3.57Å; I86-V116 VanDerWaalsContact O-CA 3.3Å; I86-V116 WeakPolarHBondContact O-CA 3.49Å; L114-V116 HydrophobicContact CD1-CG2 3.98Å; L114-V116 HydrophobicContact CG-CG2 4.22Å; V116-L137 HydrophobicContact CG1-CD2 3.97Å; V116-L140 HydrophobicContact CG1-CD2 4.23Å; V116-L140 HydrophobicContact CG2-CD1 4.45Å; V116-L140 HydrophobicContact CG2-CD2 3.98Å; V116-L154 PolarHBondContact N-O 3.33Å; V116-I155 HydrophobicContact CB-CG1 4.14Å; V116-I155 HydrophobicContact CB-CG2 4.31Å; V116-I155 HydrophobicContact CG2-CG1 4.32Å; V116-I155 CarbonylContact O-C 3.55Å; V116-I155 WeakPolarHBondContact O-CA 3.23Å; V116-Q156 PolarHBondContact O-N 3.28Å; V116-N158 PolarHBondContact O-ND2 2.85Å; V116-L161 HydrophobicContact CG1-CD2 4.44Å
117	L	96.2	Very high	82.9	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.3	-161.9	-51.7	177.5	0	0	0	112.6	L33 L85 I86 A87 H88 F108 N119 L154 Q156	L33-L117 HydrophobicContact CD1-CD1 4.36Å; L33-L117 HydrophobicContact CD2-CD1 4.45Å; L85-L117 HydrophobicContact CD1-CD1 4.28Å; I86-L117 PolarHBondContact O-N 2.93Å; A87-L117 CarbonylContact C-O 3.58Å; A87-L117 WeakPolarHBondContact CA-O 3.1Å; A87-L117 HydrophobicContact CB-CB 4.04Å; H88-L117 PolarHBondContact N-O 3.38Å; F108-L117 HydrophobicContact CE1-CD1 3.91Å; F108-L117 HydrophobicContact CZ-CD1 4.1Å; L117-N119 PolarHBondContact N-ND2 2.82Å; L117-N119 PolarHBondContact O-N 2.95Å; L117-N119 PolarHBondContact O-ND2 2.67Å; L117-N119 VanDerWaalsContact O-ND2 3.08Å; L117-L154 HydrophobicContact CD2-CD2 3.77Å; L117-L154 HydrophobicContact CD2-CG 3.84Å; L117-Q156 CarbonylContact C-O 3.55Å; L117-Q156 WeakPolarHBondContact CA-O 3.12Å; L117-Q156 HydrophobicContact CD2-CB 4.07Å; L117-Q156 HydrophobicContact CD2-CG 4.49Å
118	D	94.2	Very high	81.1	Confident	41 Å²	41	56.8 Å²	56.8	22%	0.219	32%	0.317	C	S	.	.			trans	57.2	28.2	163.5	-63.3	-82.2	0	0	0	115.3	H88 G120 Q156 R157	H88-D118 WeakPolarHBondContact CA-O 3.32Å; H88-D118 IonicContact CE1-OD2 3.93Å; H88-D118 VanDerWaalsContact ND1-CB 3.31Å; H88-D118 WeakPolarHBondContact ND1-CB 3.2Å; D118-G120 VanDerWaalsContact C-N 3.33Å; D118-G120 PolarHBondContact O-N 2.84Å; D118-Q156 PolarHBondContact N-O 3.37Å; D118-R157 VanDerWaalsContact CA-O 3.26Å; D118-R157 WeakPolarHBondContact CA-O 3.28Å; D118-R157 VanDerWaalsContact CG-NE 3.34Å; D118-R157 WeakPolarHBondContact OD1-CD 3.15Å; D118-R157 IonicContact OD1-CZ 3.25Å; D118-R157 IonicContact OD1-NE 2.57Å; D118-R157 PolarHBondContact OD1-NE 3Å; D118-R157 IonicContact OD1-NH2 3.13Å; D118-R157 IonicContact OD2-CZ 2.62Å; D118-R157 IonicContact OD2-NE 2.79Å; D118-R157 PolarHBondContact OD2-NE 3.14Å; D118-R157 IonicContact OD2-NH2 2.64Å; D118-R157 PolarHBondContact OD2-NH2 2.99Å
119	N	92.1	Very high	79.3	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.357	C	S	.	.			trans	-83.8	74.6	-176.8	-58.2	-80.5	0	0	0	111.8	I86 N89 L117 G136 L137 N158	I86-N119 PolarHBondContact O-ND2 3.24Å; I86-N119 PolarHBondContact O-OD1 3.28Å; N89-N119 WeakPolarHBondContact CB-OD1 3.43Å; N89-N119 PolarHBondContact N-OD1 2.04Å; N89-N119 PolarHBondContact ND2-OD1 2.87Å; N89-N119 CarbonylContact O-C 3.51Å; N89-N119 VanDerWaalsContact O-C 3.31Å; N89-N119 VanDerWaalsContact O-CA 3.26Å; N89-N119 WeakPolarHBondContact O-CA 3.05Å; L117-N119 PolarHBondContact N-ND2 2.82Å; L117-N119 PolarHBondContact O-N 2.95Å; L117-N119 PolarHBondContact O-ND2 2.67Å; L117-N119 VanDerWaalsContact O-ND2 3.08Å; N119-G136 CarbonylContact O-C 3.58Å; N119-G136 WeakPolarHBondContact O-CA 3.38Å; N119-L137 HydrophobicContact CB-CB 3.67Å; N119-L137 PolarHBondContact O-N 3.1Å; N119-N158 VanDerWaalsContact CB-OD1 3.27Å; N119-N158 WeakPolarHBondContact CB-OD1 3.45Å; N119-N158 PolarHBondContact N-OD1 3.48Å; N119-N158 PolarHBondContact ND2-OD1 3.27Å
120	G	82.3	Confident	77.7	Confident	8 Å²	8	64.8 Å²	64.8	8%	0.082	37%	0.374	C	S	.	.	S	Bend	trans	153.7	127.9	171.3	0	0	0	0	0	112.1	N89 D118	N89-G120 PolarHBondContact O-N 2.83Å; D118-G120 VanDerWaalsContact C-N 3.33Å; D118-G120 PolarHBondContact O-N 2.84Å
121	D	68.8	Low	76.1	Confident	68 Å²	68	59.7 Å²	59.7	36%	0.364	35%	0.354	S	S	.	.			trans	-62.3	133.3	179.2	-176	39.2	0	0	0	112.5	Q90 L123	Q90-D121 VanDerWaalsContact NE2-N 3.19Å; D121-L123 PolarHBondContact O-N 2.73Å
122	P	61.5	Low	74.4	Confident	106 Å²	106	61 Å²	61	69%	0.688	37%	0.373	S	S	*	.			trans	-63.4	77.2	161.4	-21.4	35.1	0	0	0	111	N124	P122-N124 PolarHBondContact O-N 3.22Å
123	L	57.1	Low	72.9	Confident	82 Å²	82	62.6 Å²	62.6	43%	0.429	39%	0.388	S	S	.	.			trans	-46.4	92.4	-161.2	-160.3	87.9	0	0	0	114.9	D121 N125	D121-L123 PolarHBondContact O-N 2.73Å; L123-N125 PolarHBondContact O-N 2.97Å
124	N	55.3	Low	71.7	Confident	142 Å²	142	65 Å²	65	76%	0.759	40%	0.404	S	S	*	.			trans	-77	43.1	-178.8	-94.7	-34.8	0	0	0	113	P122 T126	P122-N124 PolarHBondContact O-N 3.22Å; N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.09Å
125	N	55.6	Low	70.7	Confident	133 Å²	133	65.7 Å²	65.7	71%	0.711	41%	0.411	S	S	*	.	S	Bend	trans	54	21.8	-172.8	-63.3	-44.5	0	0	0	114.5	L123 T127	L123-N125 PolarHBondContact O-N 2.97Å; N125-T127 CarbonylContact C-O 3.59Å; N125-T127 PolarHBondContact O-N 3.11Å; N125-T127 VanDerWaalsContact O-O 3.11Å
126	T	60.5	Low	70.3	Confident	108 Å²	108	65.7 Å²	65.7	66%	0.663	41%	0.411	S	S	*	.			trans	-65.4	-26.3	-178.1	-22	0	0	0	0	112.9	N124	N124-T126 PolarHBondContact O-N 3.2Å; N124-T126 VanDerWaalsContact O-N 3.09Å
127	T	59.7	Low	70.1	Confident	66 Å²	66	65.8 Å²	65.8	41%	0.405	41%	0.412	S	S	.	.	S	Bend	trans	-96.7	146.8	163.8	58.6	0	0	0	0	109.8	N125	N125-T127 CarbonylContact C-O 3.59Å; N125-T127 PolarHBondContact O-N 3.11Å; N125-T127 VanDerWaalsContact O-O 3.11Å
128	P	57.4	Low	69.9	Low	95 Å²	95	68.6 Å²	68.6	62%	0.617	42%	0.422	S	S	*	.			trans	-55.6	155.3	175.9	25	-35.3	0	0	0	111.5	T130 G131	P128-T130 PolarHBondContact O-N 3.07Å; P128-G131 VanDerWaalsContact O-CA 3.3Å; P128-G131 WeakPolarHBondContact O-CA 3.37Å; P128-G131 PolarHBondContact O-N 3.05Å
129	V	58.5	Low	69.8	Low	144 Å²	144	67.8 Å²	67.8	87%	0.873	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.1	-175.1	-175.6	0	0	0	0	113.1
130	T	58.1	Low	69.7	Low	138 Å²	138	68 Å²	68	85%	0.847	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	26.2	172.8	61.4	0	0	0	0	113.1	P128	P128-T130 PolarHBondContact O-N 3.07Å
131	G	55.5	Low	70.2	Confident	31 Å²	31	68.7 Å²	68.7	32%	0.32	42%	0.419	S	S	.	.			trans	-61.9	148.3	-173.9	0	0	0	0	0	113.3	P128 S133	P128-G131 VanDerWaalsContact O-CA 3.3Å; P128-G131 WeakPolarHBondContact O-CA 3.37Å; P128-G131 PolarHBondContact O-N 3.05Å; G131-S133 PolarHBondContact O-N 2.84Å
132	A	60.7	Low	71.4	Confident	89 Å²	89	65.6 Å²	65.6	74%	0.736	40%	0.403	S	S	*	.	S	Bend	trans	-75.2	60.2	-167.7	0	0	0	0	0	114.5	R92	R92-A132 PolarHBondContact NH2-O 3.03Å
133	S	65.5	Low	73	Confident	57 Å²	57	64.7 Å²	64.7	40%	0.399	39%	0.386	S	S	.	.	S	Bend	trans	64.3	140.2	-174.8	77.6	0	0	0	0	115.1	R92 G131 R138	R92-S133 PolarHBondContact NH2-O 2.96Å; R92-S133 PolarHBondContact NH2-OG 2.81Å; G131-S133 PolarHBondContact O-N 2.84Å; S133-R138 VanDerWaalsContact CB-NH2 3.34Å; S133-R138 PolarHBondContact OG-NH2 3.29Å
134	P	73.1	Confident	74.8	Confident	51 Å²	51	62.4 Å²	62.4	33%	0.331	38%	0.376	S	S	.	.			trans	-58.6	150	-174.3	23.8	-34.8	0	0	0	112.8	R138 Q160	P134-R138 PolarHBondContact O-NH2 3.12Å; P134-Q160 HydrophobicContact CG-CG 4.47Å
135	G	76.8	Confident	76.8	Confident	17 Å²	17	55.8 Å²	55.8	18%	0.175	34%	0.341	C	S	.	.			trans	-75	176.1	164.8	0	0	0	0	0	111.6	Q160	G135-Q160 WeakPolarHBondContact O-CG 3.43Å
136	G	88.9	Confident	78.8	Confident	0 Å²	0	50 Å²	50	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	96.8	155.9	-173.9	0	0	0	0	0	113.4	Q90 V91 R92 N119	Q90-G136 PolarHBondContact O-N 3.04Å; V91-G136 CarbonylContact O-C 3.47Å; V91-G136 VanDerWaalsContact O-C 3.29Å; R92-G136 WeakPolarHBondContact CA-O 3.06Å; N119-G136 CarbonylContact O-C 3.58Å; N119-G136 WeakPolarHBondContact O-CA 3.38Å
137	L	93.5	Very high	80.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	28%	0.278	C	S	.	.			trans	-71.6	126.8	-169.4	-175.7	65.1	0	0	0	111.3	I86 V91 V94 V116 N119 E139 L140 Q160 L161	I86-L137 HydrophobicContact CG2-CD2 4.23Å; V91-L137 PolarHBondContact O-N 3.07Å; V94-L137 HydrophobicContact CB-CD1 4.42Å; V94-L137 HydrophobicContact CG2-CD1 3.99Å; V116-L137 HydrophobicContact CG1-CD2 3.97Å; N119-L137 HydrophobicContact CB-CB 3.67Å; N119-L137 PolarHBondContact O-N 3.1Å; L137-E139 WeakPolarHBondContact CD1-O 3.5Å; L137-L140 HydrophobicContact CD2-CD2 3.99Å; L137-L140 HydrophobicContact CD2-CG 4.46Å; L137-Q160 CarbonylContact O-C 3.21Å; L137-Q160 VanDerWaalsContact O-C 3.25Å; L137-Q160 WeakPolarHBondContact O-CB 3.36Å; L137-L161 HydrophobicContact CD2-CD1 4.44Å; L137-L161 HydrophobicContact CG-CD1 4.33Å; L137-L161 VanDerWaalsContact O-CA 3.29Å; L137-L161 WeakPolarHBondContact O-CA 3.43Å; L137-L161 PolarHBondContact O-N 3.42Å; L137-L161 VanDerWaalsContact O-N 3.15Å
138	R	92.3	Very high	82.4	Confident	64 Å²	64	41.7 Å²	41.7	24%	0.242	26%	0.259	C	S	.	.			trans	-96.2	-37.4	-175.7	-62.7	-174	-180	178.3	3.5	114.1	R92 S133 P134 Q160 C162	R92-R138 HydrophobicContact CB-CG 4.48Å; R92-R138 WeakPolarHBondContact O-CB 3.17Å; R92-R138 PolarHBondContact O-N 2.87Å; S133-R138 VanDerWaalsContact CB-NH2 3.34Å; S133-R138 PolarHBondContact OG-NH2 3.29Å; P134-R138 PolarHBondContact O-NH2 3.12Å; R138-Q160 WeakPolarHBondContact CA-O 3.39Å; R138-Q160 HydrophobicContact CG-CB 4.2Å; R138-C162 PolarHBondContact O-N 3.34Å
139	E	92	Very high	84.2	Confident	23 Å²	23	38.6 Å²	38.6	11%	0.107	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-147	146.8	-176.6	-62.3	-176.5	147.4	0	0	108.9	L137 Q141 Y163 G206 E207	L137-E139 WeakPolarHBondContact CD1-O 3.5Å; E139-Q141 HydrophobicContact CB-CG 3.83Å; E139-Q141 PolarHBondContact OE2-NE2 3.48Å; E139-Y163 HydrophobicContact CG-CD2 4.34Å; E139-Y163 HydrophobicContact CG-CE2 4.34Å; E139-G206 VanDerWaalsContact CD-CA 3.46Å; E139-G206 WeakPolarHBondContact OE1-CA 3.24Å; E139-E207 PolarHBondContact OE1-N 2.81Å
140	L	90.7	Very high	86	Confident	6 Å²	6	36.3 Å²	36.3	3%	0.031	22%	0.216	C	C	.	.			trans	-86.6	-30.6	175.9	-85.5	166.4	0	0	0	112.7	I86 V116 L137 L142 I155 L161 W205	I86-L140 HydrophobicContact CD1-CD2 4.22Å; V116-L140 HydrophobicContact CG1-CD2 4.23Å; V116-L140 HydrophobicContact CG2-CD1 4.45Å; V116-L140 HydrophobicContact CG2-CD2 3.98Å; L137-L140 HydrophobicContact CD2-CD2 3.99Å; L137-L140 HydrophobicContact CD2-CG 4.46Å; L140-L142 HydrophobicContact CB-CD1 4.44Å; L140-L142 HydrophobicContact CB-CG 4.21Å; L140-L142 HydrophobicContact CD2-CD1 4.38Å; L140-L142 PolarHBondContact O-N 2.93Å; L140-I155 HydrophobicContact CD1-CD1 4.16Å; L140-L161 HydrophobicContact CD1-CD1 4.48Å; L140-L161 HydrophobicContact CD1-CD2 4.27Å; L140-L161 HydrophobicContact CG-CD1 4.05Å; L140-W205 HydrophobicContact CB-CE3 4.23Å
141	Q	91.8	Very high	87.8	Confident	22 Å²	22	29.7 Å²	29.7	10%	0.103	18%	0.175	C	C	.	.			trans	48.9	28.8	177.5	-59.6	-171.7	-6.4	0	0	115.8	Q97 E139 R143 W205	Q97-Q141 WeakPolarHBondContact CA-O 3.22Å; Q97-Q141 HydrophobicContact CG-CB 4.12Å; E139-Q141 HydrophobicContact CB-CG 3.83Å; E139-Q141 PolarHBondContact OE2-NE2 3.48Å; Q141-R143 PolarHBondContact O-N 3.22Å; Q141-W205 PolarHBondContact N-O 3.05Å
142	L	95.5	Very high	89.8	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.016	16%	0.16	C	C	.	.			trans	-76.7	46.9	179.9	-57.1	176.8	0	0	0	112.1	L96 L99 L114 L140 S144 L145 W205	L96-L142 HydrophobicContact CB-CD2 3.59Å; L96-L142 HydrophobicContact CD1-CD2 4.42Å; L99-L142 HydrophobicContact CD2-CD2 4.41Å; L114-L142 HydrophobicContact CD2-CD1 4.08Å; L140-L142 HydrophobicContact CB-CD1 4.44Å; L140-L142 HydrophobicContact CB-CG 4.21Å; L140-L142 HydrophobicContact CD2-CD1 4.38Å; L140-L142 PolarHBondContact O-N 2.93Å; L142-S144 PolarHBondContact O-N 2.86Å; L142-S144 VanDerWaalsContact O-N 3.07Å; L142-L145 HydrophobicContact CB-CB 3.88Å; L142-L145 HydrophobicContact CB-CD2 4.21Å; L142-L145 HydrophobicContact CD1-CD2 3.79Å; L142-L145 VanDerWaalsContact O-CB 3.29Å; L142-L145 WeakPolarHBondContact O-CB 3.4Å; L142-L145 PolarHBondContact O-N 3.08Å; L142-W205 HydrophobicContact CB-CD2 4.02Å; L142-W205 HydrophobicContact CB-CE3 3.84Å; L142-W205 HydrophobicContact CB-CH2 3.93Å; L142-W205 HydrophobicContact CB-CZ2 4.1Å; L142-W205 HydrophobicContact CB-CZ3 3.81Å; L142-W205 HydrophobicContact CD1-CH2 4.35Å; L142-W205 HydrophobicContact CD1-CZ3 4.03Å; L142-W205 HydrophobicContact CG-CE3 4.42Å; L142-W205 HydrophobicContact CG-CZ3 4.27Å; L142-W205 VanDerWaalsContact O-CE2 3.24Å; L142-W205 PolarHBondContact O-NE1 2.79Å
143	R	94.2	Very high	91.6	Very high	87 Å²	87	24 Å²	24	33%	0.328	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.9	-168.5	69.3	-168.9	-166	174.5	12.7	115.7	Q97 Q141 E210 D211	Q97-R143 HydrophobicContact CB-CG 4.1Å; Q97-R143 WeakPolarHBondContact O-CG 3.38Å; Q141-R143 PolarHBondContact O-N 3.22Å; R143-E210 IonicContact CZ-OE2 3.17Å; R143-E210 VanDerWaalsContact CZ-OE2 3.27Å; R143-E210 VanDerWaalsContact NH1-CB 3.33Å; R143-E210 IonicContact NH1-OE2 2.73Å; R143-E210 PolarHBondContact NH1-OE2 3.25Å; R143-E210 IonicContact NH2-OE2 2.69Å; R143-E210 PolarHBondContact NH2-OE2 3.4Å; R143-D211 WeakPolarHBondContact CD-OD1 3.36Å; R143-D211 IonicContact NH1-OD1 2.86Å
144	S	96.2	Very high	93.1	Very high	33 Å²	33	21.6 Å²	21.6	23%	0.231	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.9	173.7	-60.6	0	0	0	0	113.9	Q97 L99 R100 L142 T146	Q97-S144 VanDerWaalsContact O-CB 3.31Å; Q97-S144 WeakPolarHBondContact O-CB 3.07Å; Q97-S144 PolarHBondContact O-OG 3.48Å; L99-S144 CarbonylContact O-C 3.57Å; L99-S144 VanDerWaalsContact O-CB 3.31Å; L99-S144 WeakPolarHBondContact O-CB 3.06Å; R100-S144 WeakPolarHBondContact CA-O 3.19Å; L142-S144 PolarHBondContact O-N 2.86Å; L142-S144 VanDerWaalsContact O-N 3.07Å; S144-T146 PolarHBondContact O-N 3.13Å; S144-T146 PolarHBondContact O-OG1 2.9Å
145	L	97.4	Very high	94.2	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	9%	0.092	C	C	.	.			trans	-73.7	103.4	-172.2	179.6	60.2	0	0	0	109.9	L99 V102 L114 L142 I148 I172 W205	L99-L145 VanDerWaalsContact O-CA 3.24Å; L99-L145 WeakPolarHBondContact O-CA 3.45Å; L99-L145 PolarHBondContact O-N 3.15Å; V102-L145 HydrophobicContact CG2-CD1 4.16Å; L114-L145 HydrophobicContact CD2-CD2 4.47Å; L142-L145 HydrophobicContact CB-CB 3.88Å; L142-L145 HydrophobicContact CB-CD2 4.21Å; L142-L145 HydrophobicContact CD1-CD2 3.79Å; L142-L145 VanDerWaalsContact O-CB 3.29Å; L142-L145 WeakPolarHBondContact O-CB 3.4Å; L142-L145 PolarHBondContact O-N 3.08Å; L145-I148 HydrophobicContact CD1-CG1 4.41Å; L145-I172 HydrophobicContact CG-CG2 4.16Å; L145-W205 HydrophobicContact CB-CZ2 4.35Å; L145-W205 HydrophobicContact CD2-CH2 4.32Å
146	T	97.1	Very high	95.1	Very high	10 Å²	10	21.1 Å²	21.1	6%	0.061	10%	0.097	C	C	.	.			trans	-120.2	-12	-176.7	45.6	0	0	0	0	112.4	R100 S144 I172 T216 R226 A242	R100-T146 PolarHBondContact O-N 2.96Å; R100-T146 VanDerWaalsContact O-N 3.08Å; S144-T146 PolarHBondContact O-N 3.13Å; S144-T146 PolarHBondContact O-OG1 2.9Å; T146-I172 WeakPolarHBondContact O-CA 3.48Å; T146-T216 HydrophobicContact CG2-CG2 4.26Å; T146-R226 VanDerWaalsContact O-CZ 3.23Å; T146-R226 PolarHBondContact O-NH1 2.88Å; T146-R226 PolarHBondContact O-NH2 3.45Å; T146-A242 WeakPolarHBondContact OG1-CA 3.5Å; T146-A242 WeakPolarHBondContact OG1-CB 3.27Å; T146-A242 PolarHBondContact OG1-O 3.29Å; T146-A242 VanDerWaalsContact OG1-O 3.11Å
147	E	97.4	Very high	95.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.7	-178.3	-174.1	63	-81	0	0	113.9	R100 I101 V102 L149 I172 H174 R226 A241 A242	R100-E147 PolarHBondContact O-N 2.97Å; I101-E147 WeakPolarHBondContact CA-O 3.37Å; I101-E147 HydrophobicContact CB-CB 4.16Å; I101-E147 HydrophobicContact CD1-CB 4.14Å; I101-E147 HydrophobicContact CD1-CG 3.7Å; I101-E147 HydrophobicContact CG1-CB 3.88Å; I101-E147 HydrophobicContact CG1-CG 3.8Å; V102-E147 PolarHBondContact N-O 2.92Å; E147-L149 HydrophobicContact CG-CD2 3.55Å; E147-L149 HydrophobicContact CG-CG 4.09Å; E147-I172 CarbonylContact C-O 3.58Å; E147-I172 VanDerWaalsContact CA-O 3.24Å; E147-I172 WeakPolarHBondContact CA-O 3.49Å; E147-I172 VanDerWaalsContact OE1-O 3.11Å; E147-H174 VanDerWaalsContact OE1-CA 3.23Å; E147-H174 WeakPolarHBondContact OE1-CA 3.24Å; E147-H174 VanDerWaalsContact OE1-CB 3.25Å; E147-H174 WeakPolarHBondContact OE1-CB 3.44Å; E147-H174 PolarHBondContact OE1-N 3.09Å; E147-H174 IonicContact OE2-CD2 2.69Å; E147-H174 PolarHBondContact OE2-CD2 2.83Å; E147-R226 IonicContact OE1-CZ 3.5Å; E147-R226 IonicContact OE1-NH2 2.71Å; E147-R226 PolarHBondContact OE1-NH2 2.94Å; E147-R226 IonicContact OE2-CZ 3.54Å; E147-R226 VanDerWaalsContact OE2-CZ 3.26Å; E147-R226 IonicContact OE2-NE 2.72Å; E147-R226 PolarHBondContact OE2-NE 3.2Å; E147-R226 IonicContact OE2-NH2 2.72Å; E147-R226 PolarHBondContact OE2-NH2 2.9Å; E147-A241 HydrophobicContact CG-CB 4.04Å; E147-A242 HydrophobicContact CB-CB 4.46Å
148	I	97.8	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	104.1	164.2	-64.8	172	0	0	0	107.5	V102 A113 L145 G151 V153 I172 F173 H174 N177	V102-I148 HydrophobicContact CB-CG1 4.36Å; V102-I148 WeakPolarHBondContact O-CA 3.42Å; A113-I148 HydrophobicContact CB-CG2 3.72Å; L145-I148 HydrophobicContact CD1-CG1 4.41Å; I148-G151 WeakPolarHBondContact CG2-O 3.29Å; I148-V153 HydrophobicContact CD1-CG2 4.03Å; I148-I172 HydrophobicContact CB-CG2 4.36Å; I148-I172 HydrophobicContact CD1-CG2 3.8Å; I148-I172 HydrophobicContact CG1-CG2 3.73Å; I148-I172 PolarHBondContact N-O 2.88Å; I148-F173 HydrophobicContact CB-CD1 4.01Å; I148-F173 HydrophobicContact CD1-CD1 4.46Å; I148-F173 HydrophobicContact CD1-CE1 4.28Å; I148-F173 HydrophobicContact CG2-CD1 4.09Å; I148-F173 HydrophobicContact CG2-CE1 4.34Å; I148-H174 PolarHBondContact O-N 3.23Å; I148-N177 PolarHBondContact O-ND2 3.37Å
149	L	95.6	Very high	95.3	Very high	30 Å²	30	25.2 Å²	25.2	16%	0.157	12%	0.116	C	C	.	.			trans	-68.1	-40.1	-171.7	-64.2	-177.5	0	0	0	113.3	I101 V102 R103 E147 H174 N177 A241 L256	I101-L149 HydrophobicContact CD1-CD1 4.05Å; I101-L149 HydrophobicContact CD1-CD2 4.33Å; I101-L149 HydrophobicContact CD1-CG 4.03Å; I101-L149 HydrophobicContact CG1-CG 4.48Å; V102-L149 PolarHBondContact O-N 3.23Å; R103-L149 HydrophobicContact CB-CD1 4.15Å; R103-L149 HydrophobicContact CG-CD1 3.97Å; E147-L149 HydrophobicContact CG-CD2 3.55Å; E147-L149 HydrophobicContact CG-CG 4.09Å; L149-H174 HydrophobicContact CD2-CB 4.12Å; L149-N177 WeakPolarHBondContact O-CB 3.38Å; L149-A241 HydrophobicContact CD2-CB 4.46Å; L149-L256 HydrophobicContact CD1-CD1 4.44Å; L149-L256 HydrophobicContact CD2-CD1 3.58Å
150	K	96	Very high	95.3	Very high	96 Å²	96	25 Å²	25	42%	0.417	12%	0.115	S	C	.	.	S	Bend	trans	-145.3	142.9	179.9	-176.3	-175.1	169.9	-155.7	0	109.1	L107 A113 N177	L107-K150 HydrophobicContact CD1-CD 4.49Å; L107-K150 HydrophobicContact CD1-CG 4.39Å; A113-K150 VanDerWaalsContact CB-O 3.29Å; A113-K150 WeakPolarHBondContact CB-O 3.33Å; K150-N177 WeakPolarHBondContact CA-OD1 3.26Å
151	G	95.9	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.			trans	96.9	159.3	174.8	0	0	0	0	0	114	N111 I148 F173 N177 L179	N111-G151 CarbonylContact O-C 3.55Å; N111-G151 WeakPolarHBondContact O-CA 3.45Å; I148-G151 WeakPolarHBondContact CG2-O 3.29Å; G151-F173 VanDerWaalsContact O-CE1 3.31Å; G151-F173 WeakPolarHBondContact O-CE1 3.43Å; G151-N177 PolarHBondContact N-ND2 3.11Å; G151-N177 PolarHBondContact N-OD1 3.19Å; G151-N177 PolarHBondContact O-ND2 3.26Å; G151-L179 CarbonylContact C-O 3.55Å
152	G	97.1	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-168.8	-175.6	0	0	0	0	0	113.8	N111 Y112 A113 L114 L179 L181	N111-G152 PolarHBondContact O-N 2.89Å; Y112-G152 WeakPolarHBondContact CA-O 3.32Å; A113-G152 PolarHBondContact N-O 2.85Å; L114-G152 PolarHBondContact N-O 3.03Å; G152-L179 WeakPolarHBondContact CA-O 3.16Å; G152-L179 PolarHBondContact N-O 2.87Å; G152-L181 CarbonylContact C-O 3.6Å; G152-L181 WeakPolarHBondContact CA-O 3.43Å
153	V	98	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.6	-178.7	177.9	0	0	0	0	110.4	L114 I148 I155 W169 F173 L181 T182 L183 I184	L114-V153 HydrophobicContact CB-CG2 4.29Å; L114-V153 HydrophobicContact CD2-CG1 4.23Å; L114-V153 HydrophobicContact CG-CG1 4.47Å; L114-V153 WeakPolarHBondContact O-CA 3.03Å; I148-V153 HydrophobicContact CD1-CG2 4.03Å; V153-I155 HydrophobicContact CG1-CD1 3.97Å; V153-I155 HydrophobicContact CG1-CG1 3.93Å; V153-W169 HydrophobicContact CB-CE3 4.4Å; V153-W169 HydrophobicContact CB-CZ3 4.48Å; V153-W169 HydrophobicContact CG1-CD2 4.44Å; V153-W169 HydrophobicContact CG1-CE3 4.27Å; V153-W169 HydrophobicContact CG1-CH2 3.91Å; V153-W169 HydrophobicContact CG1-CZ2 4.11Å; V153-W169 HydrophobicContact CG1-CZ3 4Å; V153-W169 HydrophobicContact CG2-CD2 4.33Å; V153-W169 HydrophobicContact CG2-CE3 3.66Å; V153-W169 HydrophobicContact CG2-CZ3 3.76Å; V153-F173 HydrophobicContact CB-CZ 4.41Å; V153-F173 HydrophobicContact CG2-CE1 3.83Å; V153-F173 HydrophobicContact CG2-CZ 3.75Å; V153-L181 PolarHBondContact N-O 2.74Å; V153-T182 WeakPolarHBondContact O-CA 3.26Å; V153-L183 PolarHBondContact O-N 3.01Å; V153-I184 HydrophobicContact CG1-CD1 4.43Å
154	L	97.5	Very high	95.6	Very high	6 Å²	6	20 Å²	20	3%	0.031	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.5	176.7	-177.2	66.3	0	0	0	109.5	Y112 L114 A115 V116 L117 Q156 L183	Y112-L154 HydrophobicContact CD1-CB 3.74Å; Y112-L154 HydrophobicContact CD2-CB 3.99Å; Y112-L154 HydrophobicContact CD2-CD2 3.88Å; Y112-L154 HydrophobicContact CD2-CG 4.49Å; Y112-L154 HydrophobicContact CE1-CB 3.95Å; Y112-L154 HydrophobicContact CE1-CD1 4.46Å; Y112-L154 HydrophobicContact CE2-CB 4.2Å; Y112-L154 HydrophobicContact CE2-CD1 4.43Å; Y112-L154 HydrophobicContact CE2-CD2 3.78Å; Y112-L154 HydrophobicContact CE2-CG 4.36Å; Y112-L154 HydrophobicContact CG-CB 3.74Å; Y112-L154 HydrophobicContact CG-CD2 4.49Å; L114-L154 PolarHBondContact O-N 2.92Å; A115-L154 CarbonylContact C-O 3.43Å; A115-L154 VanDerWaalsContact CA-O 3.3Å; A115-L154 WeakPolarHBondContact CA-O 3.07Å; V116-L154 PolarHBondContact N-O 3.33Å; L117-L154 HydrophobicContact CD2-CD2 3.77Å; L117-L154 HydrophobicContact CD2-CG 3.84Å; L154-Q156 HydrophobicContact CD1-CG 3.97Å; L154-Q156 HydrophobicContact CG-CG 4.44Å; L154-L183 CarbonylContact C-O 3.53Å; L154-L183 WeakPolarHBondContact CA-O 3.47Å; L154-L183 HydrophobicContact CD1-CB 3.64Å; L154-L183 HydrophobicContact CD1-CD2 4.26Å
155	I	97.2	Very high	95.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.9	177.5	-56.4	179.8	0	0	0	107.6	V116 L140 V153 N158 L161 Q164 W169 L183 I184 D185	V116-I155 HydrophobicContact CB-CG1 4.14Å; V116-I155 HydrophobicContact CB-CG2 4.31Å; V116-I155 HydrophobicContact CG2-CG1 4.32Å; V116-I155 CarbonylContact O-C 3.55Å; V116-I155 WeakPolarHBondContact O-CA 3.23Å; L140-I155 HydrophobicContact CD1-CD1 4.16Å; V153-I155 HydrophobicContact CG1-CD1 3.97Å; V153-I155 HydrophobicContact CG1-CG1 3.93Å; I155-N158 WeakPolarHBondContact CG2-ND2 3.04Å; I155-L161 HydrophobicContact CG2-CD2 3.83Å; I155-Q164 HydrophobicContact CD1-CB 3.88Å; I155-Q164 HydrophobicContact CG2-CB 4.46Å; I155-Q164 HydrophobicContact CG2-CG 4.22Å; I155-W169 HydrophobicContact CD1-CH2 4.38Å; I155-W169 HydrophobicContact CD1-CZ2 3.96Å; I155-L183 PolarHBondContact N-O 3.12Å; I155-I184 HydrophobicContact CB-CB 4.48Å; I155-I184 HydrophobicContact CB-CG1 4.29Å; I155-I184 HydrophobicContact CB-CG2 4.22Å; I155-I184 HydrophobicContact CD1-CD1 4.27Å; I155-I184 HydrophobicContact CD1-CG1 4.24Å; I155-I184 HydrophobicContact CD1-CG2 4.4Å; I155-I184 HydrophobicContact CG1-CG1 4.32Å; I155-I184 WeakPolarHBondContact O-CA 3.48Å; I155-D185 WeakPolarHBondContact O-CB 3.43Å; I155-D185 PolarHBondContact O-N 3.07Å
156	Q	95.3	Very high	95.3	Very high	59 Å²	59	23.8 Å²	23.8	28%	0.276	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143.2	-176.2	-66	-168.5	-4.8	0	0	112.8	V116 L117 D118 L154 N158	V116-Q156 PolarHBondContact O-N 3.28Å; L117-Q156 CarbonylContact C-O 3.55Å; L117-Q156 WeakPolarHBondContact CA-O 3.12Å; L117-Q156 HydrophobicContact CD2-CB 4.07Å; L117-Q156 HydrophobicContact CD2-CG 4.49Å; D118-Q156 PolarHBondContact N-O 3.37Å; L154-Q156 HydrophobicContact CD1-CG 3.97Å; L154-Q156 HydrophobicContact CG-CG 4.44Å; Q156-N158 PolarHBondContact N-ND2 3.19Å; Q156-N158 PolarHBondContact O-N 2.64Å; Q156-N158 PolarHBondContact O-ND2 3.14Å
157	R	92.7	Very high	95.3	Very high	118 Å²	118	23.8 Å²	23.8	45%	0.445	11%	0.113	S	C	.	.			trans	56.5	45.7	168.6	-60.4	178.5	-63.3	-76.6	-9.1	113.9	D118 P159 D185	D118-R157 VanDerWaalsContact CA-O 3.26Å; D118-R157 WeakPolarHBondContact CA-O 3.28Å; D118-R157 VanDerWaalsContact CG-NE 3.34Å; D118-R157 WeakPolarHBondContact OD1-CD 3.15Å; D118-R157 IonicContact OD1-CZ 3.25Å; D118-R157 IonicContact OD1-NE 2.57Å; D118-R157 PolarHBondContact OD1-NE 3Å; D118-R157 IonicContact OD1-NH2 3.13Å; D118-R157 IonicContact OD2-CZ 2.62Å; D118-R157 IonicContact OD2-NE 2.79Å; D118-R157 PolarHBondContact OD2-NE 3.14Å; D118-R157 IonicContact OD2-NH2 2.64Å; D118-R157 PolarHBondContact OD2-NH2 2.99Å; R157-P159 WeakPolarHBondContact O-CD 3.03Å; R157-D185 WeakPolarHBondContact CA-OD2 3.4Å; R157-D185 PolarHBondContact N-OD2 2.9Å
158	N	93.6	Very high	95.2	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	12%	0.122	C	C	.	.			trans	-110.7	78.7	177.7	-57.2	-71.3	0	0	0	110.4	V116 N119 I155 Q156 Q160 L161	V116-N158 PolarHBondContact O-ND2 2.85Å; N119-N158 VanDerWaalsContact CB-OD1 3.27Å; N119-N158 WeakPolarHBondContact CB-OD1 3.45Å; N119-N158 PolarHBondContact N-OD1 3.48Å; N119-N158 PolarHBondContact ND2-OD1 3.27Å; I155-N158 WeakPolarHBondContact CG2-ND2 3.04Å; Q156-N158 PolarHBondContact N-ND2 3.19Å; Q156-N158 PolarHBondContact O-N 2.64Å; Q156-N158 PolarHBondContact O-ND2 3.14Å; N158-Q160 PolarHBondContact O-N 3.31Å; N158-L161 HydrophobicContact CB-CB 3.59Å; N158-L161 HydrophobicContact CB-CD2 3.84Å; N158-L161 HydrophobicContact CB-CG 4.38Å; N158-L161 WeakPolarHBondContact O-CB 3.42Å; N158-L161 PolarHBondContact O-N 3.01Å
159	P	91.8	Very high	95.1	Very high	29 Å²	29	26.3 Å²	26.3	19%	0.188	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.9	-164.2	25.4	-35.9	0	0	0	115.3	R157 R188 S189	R157-P159 WeakPolarHBondContact O-CD 3.03Å; P159-R188 CarbonylContact O-C 3.54Å; P159-R188 WeakPolarHBondContact O-CA 3.31Å; P159-S189 PolarHBondContact O-N 3.07Å
160	Q	92.4	Very high	95	Very high	20 Å²	20	31.1 Å²	31.1	9%	0.093	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-7.9	176.2	-60.9	-57.4	-51.1	0	0	113.7	P134 G135 L137 R138 N158	P134-Q160 HydrophobicContact CG-CG 4.47Å; G135-Q160 WeakPolarHBondContact O-CG 3.43Å; L137-Q160 CarbonylContact O-C 3.21Å; L137-Q160 VanDerWaalsContact O-C 3.25Å; L137-Q160 WeakPolarHBondContact O-CB 3.36Å; R138-Q160 WeakPolarHBondContact CA-O 3.39Å; R138-Q160 HydrophobicContact CG-CB 4.2Å; N158-Q160 PolarHBondContact O-N 3.31Å
161	L	94.8	Very high	95	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.125	C	C	.	.			trans	-80.4	127.3	-166.5	-179.9	62.5	0	0	0	112.7	V116 L137 L140 I155 N158 Q164 R188	V116-L161 HydrophobicContact CG1-CD2 4.44Å; L137-L161 HydrophobicContact CD2-CD1 4.44Å; L137-L161 HydrophobicContact CG-CD1 4.33Å; L137-L161 VanDerWaalsContact O-CA 3.29Å; L137-L161 WeakPolarHBondContact O-CA 3.43Å; L137-L161 PolarHBondContact O-N 3.42Å; L137-L161 VanDerWaalsContact O-N 3.15Å; L140-L161 HydrophobicContact CD1-CD1 4.48Å; L140-L161 HydrophobicContact CD1-CD2 4.27Å; L140-L161 HydrophobicContact CG-CD1 4.05Å; I155-L161 HydrophobicContact CG2-CD2 3.83Å; N158-L161 HydrophobicContact CB-CB 3.59Å; N158-L161 HydrophobicContact CB-CD2 3.84Å; N158-L161 HydrophobicContact CB-CG 4.38Å; N158-L161 WeakPolarHBondContact O-CB 3.42Å; N158-L161 PolarHBondContact O-N 3.01Å; L161-Q164 HydrophobicContact CD2-CB 4.22Å; L161-Q164 HydrophobicContact CD2-CG 4.34Å; L161-Q164 PolarHBondContact O-NE2 3.12Å; L161-Q164 PolarHBondContact O-OE1 2.04Å; L161-Q164 VanDerWaalsContact O-OE1 3.08Å; L161-R188 WeakPolarHBondContact O-CD 3.35Å; L161-R188 WeakPolarHBondContact O-CG 3.44Å; L161-R188 PolarHBondContact O-NE 3.46Å
162	C	94.5	Very high	95	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.014	13%	0.126	C	C	.	.			trans	-106.7	161.4	174.9	-71.2	0	0	0	0	112.8	R138 Q164 C192	R138-C162 PolarHBondContact O-N 3.34Å; C162-Q164 VanDerWaalsContact C-N 3.28Å; C162-Q164 PolarHBondContact O-N 2.89Å; C162-Q164 VanDerWaalsContact O-N 3.14Å; C162-Q164 PolarHBondContact O-OE1 3.39Å; C162-C192 WeakPolarHBondContact CA-SG 3.46Å; C162-C192 HydrophobicContact CB-CB 3.78Å; C162-C192 WeakPolarHBondContact CB-SG 3.28Å; C162-C192 VanDerWaalsContact SG-CA 3.53Å; C162-C192 WeakPolarHBondContact SG-CB 3.31Å; C162-C192 CovalentContact SG-SG 2.03Å; C162-C192 PolarHBondContact SG-SG 2.91Å
163	Y	95.5	Very high	95	Very high	8 Å²	8	27 Å²	27	3%	0.031	13%	0.127	C	C	.	.	S	Bend	trans	71	-8.6	169	-47.5	-68.8	0	0	0	118.8	E139 D165 T166 H193 C204 E207	E139-Y163 HydrophobicContact CG-CD2 4.34Å; E139-Y163 HydrophobicContact CG-CE2 4.34Å; Y163-D165 PolarHBondContact O-N 2.79Å; Y163-T166 HydrophobicContact CD1-CG2 4.32Å; Y163-T166 PolarHBondContact O-N 2.77Å; Y163-T166 PolarHBondContact O-OG1 3.4Å; Y163-H193 WeakPolarHBondContact CE1-O 3.31Å; Y163-H193 PolarHBondContact OH-N 2.88Å; Y163-H193 PolarHBondContact OH-O 3.23Å; Y163-C204 WeakPolarHBondContact CB-O 3.42Å; Y163-C204 WeakPolarHBondContact CD1-SG 3.32Å; Y163-E207 HydrophobicContact CE2-CG 4.02Å; Y163-E207 WeakPolarHBondContact OH-CG 3.38Å
164	Q	93.4	Very high	94.7	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.014	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.8	-178.3	71.2	-86.7	32.4	0	0	114.9	I155 L161 C162 W169 I184 D185	I155-Q164 HydrophobicContact CD1-CB 3.88Å; I155-Q164 HydrophobicContact CG2-CB 4.46Å; I155-Q164 HydrophobicContact CG2-CG 4.22Å; L161-Q164 HydrophobicContact CD2-CB 4.22Å; L161-Q164 HydrophobicContact CD2-CG 4.34Å; L161-Q164 PolarHBondContact O-NE2 3.12Å; L161-Q164 PolarHBondContact O-OE1 2.04Å; L161-Q164 VanDerWaalsContact O-OE1 3.08Å; C162-Q164 VanDerWaalsContact C-N 3.28Å; C162-Q164 PolarHBondContact O-N 2.89Å; C162-Q164 VanDerWaalsContact O-N 3.14Å; C162-Q164 PolarHBondContact O-OE1 3.39Å; Q164-W169 PolarHBondContact O-NE1 2.86Å; Q164-I184 HydrophobicContact CB-CG2 4.17Å; Q164-I184 HydrophobicContact CG-CG2 3.53Å; Q164-D185 PolarHBondContact NE2-O 2.91Å
165	D	92.8	Very high	94.2	Very high	79 Å²	79	34.5 Å²	34.5	42%	0.422	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.5	177.7	47.9	-0.5	0	0	0	114.1	Y163 T186 R188	Y163-D165 PolarHBondContact O-N 2.79Å; D165-T186 HydrophobicContact CB-CG2 3.71Å; D165-T186 WeakPolarHBondContact OD2-CG2 3.47Å; D165-R188 IonicContact OD1-CZ 3.99Å; D165-R188 IonicContact OD1-NH1 3.74Å; D165-R188 IonicContact OD1-NH2 3.7Å; D165-R188 PolarHBondContact OD1-NH2 3.35Å; D165-R188 IonicContact OD2-CZ 3.87Å; D165-R188 VanDerWaalsContact OD2-CZ 3.31Å; D165-R188 IonicContact OD2-NH1 3.44Å; D165-R188 PolarHBondContact OD2-NH1 3.44Å; D165-R188 IonicContact OD2-NH2 2.72Å; D165-R188 PolarHBondContact OD2-NH2 2.97Å
166	T	95	Very high	93.7	Very high	36 Å²	36	36.9 Å²	36.9	22%	0.221	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-18.7	177	77.1	0	0	0	0	112.9	Y163 R203 C204	Y163-T166 HydrophobicContact CD1-CG2 4.32Å; Y163-T166 PolarHBondContact O-N 2.77Å; Y163-T166 PolarHBondContact O-OG1 3.4Å; T166-R203 WeakPolarHBondContact O-CB 3.33Å; T166-R203 WeakPolarHBondContact O-CD 3.27Å; T166-R203 WeakPolarHBondContact O-CG 3.39Å; T166-C204 PolarHBondContact OG1-N 2.91Å; T166-C204 PolarHBondContact OG1-O 2.7Å
167	I	96.4	Very high	93.5	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.051	16%	0.163	C	C	.	.	S	Bend	trans	-74.1	131.4	-175.5	-64.1	-59.1	0	0	0	111.7	W169 I172 C204 W205 Q213	I167-W169 HydrophobicContact CB-CD2 4.4Å; I167-W169 HydrophobicContact CB-CZ2 4.09Å; I167-W169 HydrophobicContact CG2-CD2 3.7Å; I167-W169 HydrophobicContact CG2-CE3 4.08Å; I167-W169 HydrophobicContact CG2-CG 4.12Å; I167-W169 HydrophobicContact CG2-CH2 4.33Å; I167-W169 HydrophobicContact CG2-CZ2 3.94Å; I167-W169 HydrophobicContact CG2-CZ3 4.39Å; I167-W169 PolarHBondContact O-N 3.02Å; I167-W169 VanDerWaalsContact O-N 3.11Å; I167-I172 HydrophobicContact CG2-CD1 3.51Å; I167-C204 WeakPolarHBondContact CD1-O 3.18Å; I167-W205 HydrophobicContact CD1-CD2 3.48Å; I167-W205 VanDerWaalsContact CD1-CD2 3.48Å; I167-W205 HydrophobicContact CD1-CE3 3.88Å; I167-W205 HydrophobicContact CD1-CG 3.84Å; I167-W205 HydrophobicContact CD1-CH2 4.37Å; I167-W205 HydrophobicContact CD1-CZ2 4.03Å; I167-W205 HydrophobicContact CD1-CZ3 4.29Å; I167-W205 HydrophobicContact CG1-CD2 3.99Å; I167-W205 HydrophobicContact CG1-CE3 3.82Å; I167-W205 HydrophobicContact CG1-CH2 4.17Å; I167-W205 HydrophobicContact CG1-CZ2 4.32Å; I167-W205 HydrophobicContact CG1-CZ3 3.91Å; I167-W205 HydrophobicContact CG2-CH2 3.92Å; I167-W205 HydrophobicContact CG2-CZ2 4.04Å; I167-W205 HydrophobicContact CG2-CZ3 4.42Å; I167-Q213 HydrophobicContact CD1-CB 4.2Å; I167-Q213 HydrophobicContact CD1-CG 4.35Å
168	L	95.7	Very high	93.1	Very high	36 Å²	36	36.8 Å²	36.8	19%	0.188	18%	0.178	C	C	.	.			trans	-84.4	78.4	174.8	-167.4	63.4	0	0	0	110.3	K170 D171 Q213 L215	L168-K170 HydrophobicContact CD1-CD 4.2Å; L168-K170 HydrophobicContact CD1-CG 3.85Å; L168-K170 HydrophobicContact CG-CG 3.84Å; L168-K170 PolarHBondContact O-N 2.96Å; L168-K170 VanDerWaalsContact O-N 3.12Å; L168-D171 HydrophobicContact CD2-CB 4.43Å; L168-D171 HydrophobicContact CG-CB 4.44Å; L168-D171 WeakPolarHBondContact O-CB 3.29Å; L168-D171 PolarHBondContact O-N 2.86Å; L168-Q213 PolarHBondContact O-NE2 2.98Å; L168-L215 HydrophobicContact CD2-CD2 4.12Å
169	W	95.6	Very high	92.7	Very high	17 Å²	17	39.1 Å²	39.1	6%	0.064	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-30.4	-176.8	-62.9	100.7	0	0	0	114.2	L114 V153 I155 Q164 I167 D171 I172 F173 T182 I184 W205	L114-W169 HydrophobicContact CD2-CH2 3.87Å; L114-W169 HydrophobicContact CD2-CZ3 3.93Å; V153-W169 HydrophobicContact CB-CE3 4.4Å; V153-W169 HydrophobicContact CB-CZ3 4.48Å; V153-W169 HydrophobicContact CG1-CD2 4.44Å; V153-W169 HydrophobicContact CG1-CE3 4.27Å; V153-W169 HydrophobicContact CG1-CH2 3.91Å; V153-W169 HydrophobicContact CG1-CZ2 4.11Å; V153-W169 HydrophobicContact CG1-CZ3 4Å; V153-W169 HydrophobicContact CG2-CD2 4.33Å; V153-W169 HydrophobicContact CG2-CE3 3.66Å; V153-W169 HydrophobicContact CG2-CZ3 3.76Å; I155-W169 HydrophobicContact CD1-CH2 4.38Å; I155-W169 HydrophobicContact CD1-CZ2 3.96Å; Q164-W169 PolarHBondContact O-NE1 2.86Å; I167-W169 HydrophobicContact CB-CD2 4.4Å; I167-W169 HydrophobicContact CB-CZ2 4.09Å; I167-W169 HydrophobicContact CG2-CD2 3.7Å; I167-W169 HydrophobicContact CG2-CE3 4.08Å; I167-W169 HydrophobicContact CG2-CG 4.12Å; I167-W169 HydrophobicContact CG2-CH2 4.33Å; I167-W169 HydrophobicContact CG2-CZ2 3.94Å; I167-W169 HydrophobicContact CG2-CZ3 4.39Å; I167-W169 PolarHBondContact O-N 3.02Å; I167-W169 VanDerWaalsContact O-N 3.11Å; W169-D171 PolarHBondContact O-N 3.16Å; W169-I172 HydrophobicContact CD2-CD1 4.48Å; W169-I172 HydrophobicContact CE3-CD1 3.78Å; W169-I172 HydrophobicContact CZ3-CD1 4.03Å; W169-I172 WeakPolarHBondContact O-CA 3.27Å; W169-I172 WeakPolarHBondContact O-CB 3.17Å; W169-I172 PolarHBondContact O-N 3.19Å; W169-F173 HydrophobicContact CB-CD2 4.4Å; W169-F173 HydrophobicContact CB-CE2 3.9Å; W169-F173 HydrophobicContact CB-CZ 4.45Å; W169-F173 WeakPolarHBondContact O-CD2 3.36Å; W169-F173 PolarHBondContact O-N 2.62Å; W169-T182 HydrophobicContact CB-CG2 3.9Å; W169-T182 HydrophobicContact CG-CG2 4.13Å; W169-I184 HydrophobicContact CD2-CD1 4.49Å; W169-I184 HydrophobicContact CG-CD1 4.45Å; W169-I184 HydrophobicContact CZ2-CD1 4.22Å; W169-W205 AromaticContact CH2-CH2 3.68Å; W169-W205 HydrophobicContact CH2-CH2 3.68Å; W169-W205 AromaticContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CZ2-CH2 4.39Å; W169-W205 HydrophobicContact CZ2-CZ3 4.24Å; W169-W205 AromaticContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CZ3 4.38Å
170	K	93.9	Very high	92.5	Very high	132 Å²	132	39.9 Å²	39.9	57%	0.574	20%	0.199	S	C	*	.	H	α-helix	trans	-65.6	-14.1	174	73.7	172.5	-161.3	-173.4	0	115.4	L168 R217 T218	L168-K170 HydrophobicContact CD1-CD 4.2Å; L168-K170 HydrophobicContact CD1-CG 3.85Å; L168-K170 HydrophobicContact CG-CG 3.84Å; L168-K170 PolarHBondContact O-N 2.96Å; L168-K170 VanDerWaalsContact O-N 3.12Å; K170-R217 PolarHBondContact O-NH1 3.25Å; K170-T218 HydrophobicContact CG-CG2 4.17Å
171	D	95.1	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-83.9	-31.3	169.5	-159.8	92	0	0	0	111.4	L168 W169 L215 T216 R217 T218 R226	L168-D171 HydrophobicContact CD2-CB 4.43Å; L168-D171 HydrophobicContact CG-CB 4.44Å; L168-D171 WeakPolarHBondContact O-CB 3.29Å; L168-D171 PolarHBondContact O-N 2.86Å; W169-D171 PolarHBondContact O-N 3.16Å; D171-L215 HydrophobicContact CB-CG 4.49Å; D171-L215 WeakPolarHBondContact OD2-CA 3.1Å; D171-T216 PolarHBondContact OD2-N 3.18Å; D171-R217 WeakPolarHBondContact O-CB 3.42Å; D171-R217 PolarHBondContact OD1-N 3.21Å; D171-R217 PolarHBondContact OD2-N 3.29Å; D171-T218 HydrophobicContact CB-CG2 4.04Å; D171-T218 WeakPolarHBondContact OD1-CA 3.46Å; D171-T218 VanDerWaalsContact OD1-CB 3.28Å; D171-T218 WeakPolarHBondContact OD1-CB 3.47Å; D171-T218 WeakPolarHBondContact OD1-CG2 3.18Å; D171-T218 PolarHBondContact OD1-N 3.48Å; D171-T218 PolarHBondContact OD1-OG1 3.36Å; D171-R226 PolarHBondContact O-NH1 3.31Å; D171-R226 VanDerWaalsContact O-NH1 3.11Å; D171-R226 PolarHBondContact O-NH2 3.16Å
172	I	96.8	Very high	92.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-78.1	-45.1	-178.1	-58.8	173.2	0	0	0	110.6	L145 T146 E147 I148 I167 W169 H174 W205 R226	L145-I172 HydrophobicContact CG-CG2 4.16Å; T146-I172 WeakPolarHBondContact O-CA 3.48Å; E147-I172 CarbonylContact C-O 3.58Å; E147-I172 VanDerWaalsContact CA-O 3.24Å; E147-I172 WeakPolarHBondContact CA-O 3.49Å; E147-I172 VanDerWaalsContact OE1-O 3.11Å; I148-I172 HydrophobicContact CB-CG2 4.36Å; I148-I172 HydrophobicContact CD1-CG2 3.8Å; I148-I172 HydrophobicContact CG1-CG2 3.73Å; I148-I172 PolarHBondContact N-O 2.88Å; I167-I172 HydrophobicContact CG2-CD1 3.51Å; W169-I172 HydrophobicContact CD2-CD1 4.48Å; W169-I172 HydrophobicContact CE3-CD1 3.78Å; W169-I172 HydrophobicContact CZ3-CD1 4.03Å; W169-I172 WeakPolarHBondContact O-CA 3.27Å; W169-I172 WeakPolarHBondContact O-CB 3.17Å; W169-I172 PolarHBondContact O-N 3.19Å; I172-H174 PolarHBondContact O-N 3.09Å; I172-W205 HydrophobicContact CD1-CH2 3.8Å; I172-W205 HydrophobicContact CD1-CZ2 3.6Å; I172-R226 PolarHBondContact O-NH2 3.19Å; I172-R226 VanDerWaalsContact O-NH2 3.14Å
173	F	96.4	Very high	92.2	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.039	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-62.1	136.3	176.6	-62.4	-53.1	0	0	0	111.8	I148 G151 V153 W169 N177 A180 T182 R217	I148-F173 HydrophobicContact CB-CD1 4.01Å; I148-F173 HydrophobicContact CD1-CD1 4.46Å; I148-F173 HydrophobicContact CD1-CE1 4.28Å; I148-F173 HydrophobicContact CG2-CD1 4.09Å; I148-F173 HydrophobicContact CG2-CE1 4.34Å; G151-F173 VanDerWaalsContact O-CE1 3.31Å; G151-F173 WeakPolarHBondContact O-CE1 3.43Å; V153-F173 HydrophobicContact CB-CZ 4.41Å; V153-F173 HydrophobicContact CG2-CE1 3.83Å; V153-F173 HydrophobicContact CG2-CZ 3.75Å; W169-F173 HydrophobicContact CB-CD2 4.4Å; W169-F173 HydrophobicContact CB-CE2 3.9Å; W169-F173 HydrophobicContact CB-CZ 4.45Å; W169-F173 WeakPolarHBondContact O-CD2 3.36Å; W169-F173 PolarHBondContact O-N 2.62Å; F173-N177 HydrophobicContact CB-CB 4.39Å; F173-N177 WeakPolarHBondContact CD1-ND2 3.48Å; F173-A180 HydrophobicContact CB-CB 4.19Å; F173-A180 HydrophobicContact CD1-CB 4.29Å; F173-A180 HydrophobicContact CD2-CB 3.64Å; F173-A180 HydrophobicContact CE2-CB 3.97Å; F173-A180 HydrophobicContact CG-CB 3.81Å; F173-A180 HydrophobicContact CZ-CB 4.44Å; F173-T182 HydrophobicContact CE2-CG2 3.68Å; F173-T182 HydrophobicContact CZ-CG2 3.83Å; F173-R217 WeakPolarHBondContact O-CD 3.44Å; F173-R217 PolarHBondContact O-NH1 3.41Å
174	H	92.4	Very high	92.1	Very high	25 Å²	25	51.7 Å²	51.7	12%	0.116	26%	0.264	C	S	.	.			trans	-59.5	158.2	174.5	-173.4	-122	0	0	0	112.1	E147 I148 L149 I172 N176 N177 R217	E147-H174 VanDerWaalsContact OE1-CA 3.23Å; E147-H174 WeakPolarHBondContact OE1-CA 3.24Å; E147-H174 VanDerWaalsContact OE1-CB 3.25Å; E147-H174 WeakPolarHBondContact OE1-CB 3.44Å; E147-H174 PolarHBondContact OE1-N 3.09Å; E147-H174 IonicContact OE2-CD2 2.69Å; E147-H174 PolarHBondContact OE2-CD2 2.83Å; I148-H174 PolarHBondContact O-N 3.23Å; L149-H174 HydrophobicContact CD2-CB 4.12Å; I172-H174 PolarHBondContact O-N 3.09Å; H174-N176 PolarHBondContact ND1-N 3.42Å; H174-N176 PolarHBondContact O-N 3.31Å; H174-N177 HydrophobicContact CB-CB 4.33Å; H174-N177 PolarHBondContact O-N 3.47Å; H174-R217 PolarHBondContact O-NH1 2.82Å
175	K	86.9	Confident	92	Very high	138 Å²	138	53.2 Å²	53.2	60%	0.6	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-39.4	176.3	-174.8	-164.8	164.3	-161.1	0	112.3
176	N	87.5	Confident	91.9	Very high	49 Å²	49	52.6 Å²	52.6	26%	0.262	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	15	-170.5	-50.4	-14.2	0	0	0	112.6	H174 Q178 D873	H174-N176 PolarHBondContact ND1-N 3.42Å; H174-N176 PolarHBondContact O-N 3.31Å; N176-Q178 PolarHBondContact O-N 3.47Å; N176-D873 PolarHBondContact ND2-OD1 3.26Å
177	N	90.2	Very high	91.6	Very high	13 Å²	13	56.8 Å²	56.8	7%	0.07	29%	0.293	C	S	.	.			trans	-73.4	98.8	177.8	-174.9	-12.9	0	0	0	110.8	I148 L149 K150 G151 F173 H174 L179 A180	I148-N177 PolarHBondContact O-ND2 3.37Å; L149-N177 WeakPolarHBondContact O-CB 3.38Å; K150-N177 WeakPolarHBondContact CA-OD1 3.26Å; G151-N177 PolarHBondContact N-ND2 3.11Å; G151-N177 PolarHBondContact N-OD1 3.19Å; G151-N177 PolarHBondContact O-ND2 3.26Å; F173-N177 HydrophobicContact CB-CB 4.39Å; F173-N177 WeakPolarHBondContact CD1-ND2 3.48Å; H174-N177 HydrophobicContact CB-CB 4.33Å; H174-N177 PolarHBondContact O-N 3.47Å; N177-L179 PolarHBondContact O-N 3.18Å; N177-L179 PolarHBondContact OD1-N 2.96Å; N177-L179 VanDerWaalsContact OD1-N 3.08Å; N177-A180 WeakPolarHBondContact O-CB 3.09Å
178	Q	83.9	Confident	91.1	Very high	163 Å²	163	59.7 Å²	59.7	76%	0.762	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.2	-177.6	-62.8	176.7	-4.8	0	0	114.3	N176	N176-Q178 PolarHBondContact O-N 3.47Å
179	L	86.4	Confident	90.7	Very high	51 Å²	51	62.8 Å²	62.8	27%	0.267	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	32.1	-175.6	-65.8	173.9	0	0	0	111.7	L107 G151 G152 N177 L181	L107-L179 HydrophobicContact CD1-CD1 3.64Å; G151-L179 CarbonylContact C-O 3.55Å; G152-L179 WeakPolarHBondContact CA-O 3.16Å; G152-L179 PolarHBondContact N-O 2.87Å; N177-L179 PolarHBondContact O-N 3.18Å; N177-L179 PolarHBondContact OD1-N 2.96Å; N177-L179 VanDerWaalsContact OD1-N 3.08Å; L179-L181 PolarHBondContact O-N 2.81Å
180	A	86.3	Confident	90.2	Very high	46 Å²	46	64.8 Å²	64.8	38%	0.38	34%	0.335	S	S	.	.			trans	-70.3	45.4	-176.5	0	0	0	0	0	114.8	F173 N177	F173-A180 HydrophobicContact CB-CB 4.19Å; F173-A180 HydrophobicContact CD1-CB 4.29Å; F173-A180 HydrophobicContact CD2-CB 3.64Å; F173-A180 HydrophobicContact CE2-CB 3.97Å; F173-A180 HydrophobicContact CG-CB 3.81Å; F173-A180 HydrophobicContact CZ-CB 4.44Å; N177-A180 WeakPolarHBondContact O-CB 3.09Å
181	L	89.8	Confident	90	Very high	81 Å²	81	62.8 Å²	62.8	42%	0.424	34%	0.343	S	S	.	.			trans	-76.5	146.9	177.7	-58.7	176	0	0	0	111.2	G152 V153 L179	G152-L181 CarbonylContact C-O 3.6Å; G152-L181 WeakPolarHBondContact CA-O 3.43Å; V153-L181 PolarHBondContact N-O 2.74Å; L179-L181 PolarHBondContact O-N 2.81Å
182	T	91.9	Very high	89.8	Confident	72 Å²	72	65 Å²	65	44%	0.442	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	110	174.3	56.7	0	0	0	0	111.2	V153 W169 F173	V153-T182 WeakPolarHBondContact O-CA 3.26Å; W169-T182 HydrophobicContact CB-CG2 3.9Å; W169-T182 HydrophobicContact CG-CG2 4.13Å; F173-T182 HydrophobicContact CE2-CG2 3.68Å; F173-T182 HydrophobicContact CZ-CG2 3.83Å
183	L	93.3	Very high	89.7	Confident	76 Å²	76	70 Å²	70	40%	0.398	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	101.1	172.1	-82.5	74.3	0	0	0	108	Y112 V153 L154 I155	Y112-L183 HydrophobicContact CE1-CD1 4.5Å; V153-L183 PolarHBondContact O-N 3.01Å; L154-L183 CarbonylContact C-O 3.53Å; L154-L183 WeakPolarHBondContact CA-O 3.47Å; L154-L183 HydrophobicContact CD1-CB 3.64Å; L154-L183 HydrophobicContact CD1-CD2 4.26Å; I155-L183 PolarHBondContact N-O 3.12Å
184	I	94.1	Very high	89.6	Confident	48 Å²	48	74.9 Å²	74.9	25%	0.246	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	112.1	-169.3	-59.9	179.7	0	0	0	110.6	V153 I155 Q164 W169	V153-I184 HydrophobicContact CG1-CD1 4.43Å; I155-I184 HydrophobicContact CB-CB 4.48Å; I155-I184 HydrophobicContact CB-CG1 4.29Å; I155-I184 HydrophobicContact CB-CG2 4.22Å; I155-I184 HydrophobicContact CD1-CD1 4.27Å; I155-I184 HydrophobicContact CD1-CG1 4.24Å; I155-I184 HydrophobicContact CD1-CG2 4.4Å; I155-I184 HydrophobicContact CG1-CG1 4.32Å; I155-I184 WeakPolarHBondContact O-CA 3.48Å; Q164-I184 HydrophobicContact CB-CG2 4.17Å; Q164-I184 HydrophobicContact CG-CG2 3.53Å; W169-I184 HydrophobicContact CD2-CD1 4.49Å; W169-I184 HydrophobicContact CG-CD1 4.45Å; W169-I184 HydrophobicContact CZ2-CD1 4.22Å
185	D	90.9	Very high	89.7	Confident	36 Å²	36	74.6 Å²	74.6	19%	0.193	41%	0.414	C	S	.	.			trans	-76.9	137.9	171.8	-175.8	16.3	0	0	0	111.4	I155 R157 Q164 N187	I155-D185 WeakPolarHBondContact O-CB 3.43Å; I155-D185 PolarHBondContact O-N 3.07Å; R157-D185 WeakPolarHBondContact CA-OD2 3.4Å; R157-D185 PolarHBondContact N-OD2 2.9Å; Q164-D185 PolarHBondContact NE2-O 2.91Å; D185-N187 WeakPolarHBondContact OD1-CB 3.39Å; D185-N187 PolarHBondContact OD1-N 3.11Å; D185-N187 PolarHBondContact OD1-ND2 3.42Å
186	T	90.6	Very high	90.1	Very high	65 Å²	65	69.1 Å²	69.1	40%	0.399	39%	0.394	S	S	.	.			trans	-124.6	6.2	-177.9	55.1	0	0	0	0	112.8	D165 R188	D165-T186 HydrophobicContact CB-CG2 3.71Å; D165-T186 WeakPolarHBondContact OD2-CG2 3.47Å; T186-R188 WeakPolarHBondContact O-CD 3.21Å; T186-R188 WeakPolarHBondContact O-CG 3.39Å; T186-R188 PolarHBondContact O-N 3.32Å; T186-R188 PolarHBondContact O-NH1 3.33Å
187	N	89.1	Confident	90.4	Very high	125 Å²	125	73.2 Å²	73.2	67%	0.668	42%	0.423	S	S	*	.			trans	-66.4	119.2	172.4	-68.8	-63.4	0	0	0	110.4	D185	D185-N187 WeakPolarHBondContact OD1-CB 3.39Å; D185-N187 PolarHBondContact OD1-N 3.11Å; D185-N187 PolarHBondContact OD1-ND2 3.42Å
188	R	87.1	Confident	90.6	Very high	70 Å²	70	79.4 Å²	79.4	26%	0.264	45%	0.453	S	S	.	.			trans	-136.2	140.2	-171.7	-66.6	157.1	177.8	134.6	-18.3	111.2	P159 L161 D165 T186 R190	P159-R188 CarbonylContact O-C 3.54Å; P159-R188 WeakPolarHBondContact O-CA 3.31Å; L161-R188 WeakPolarHBondContact O-CD 3.35Å; L161-R188 WeakPolarHBondContact O-CG 3.44Å; L161-R188 PolarHBondContact O-NE 3.46Å; D165-R188 IonicContact OD1-CZ 3.99Å; D165-R188 IonicContact OD1-NH1 3.74Å; D165-R188 IonicContact OD1-NH2 3.7Å; D165-R188 PolarHBondContact OD1-NH2 3.35Å; D165-R188 IonicContact OD2-CZ 3.87Å; D165-R188 VanDerWaalsContact OD2-CZ 3.31Å; D165-R188 IonicContact OD2-NH1 3.44Å; D165-R188 PolarHBondContact OD2-NH1 3.44Å; D165-R188 IonicContact OD2-NH2 2.72Å; D165-R188 PolarHBondContact OD2-NH2 2.97Å; T186-R188 WeakPolarHBondContact O-CD 3.21Å; T186-R188 WeakPolarHBondContact O-CG 3.39Å; T186-R188 PolarHBondContact O-N 3.32Å; T186-R188 PolarHBondContact O-NH1 3.33Å; R188-R190 WeakPolarHBondContact CB-O 3.48Å
189	S	86	Confident	91	Very high	101 Å²	101	72 Å²	72	71%	0.706	42%	0.419	S	S	*	.	S	Bend	trans	-87.1	-11.3	166.7	-48.1	0	0	0	0	112.4	P159	P159-S189 PolarHBondContact O-N 3.07Å
190	R	85.8	Confident	90.9	Very high	60 Å²	60	79.1 Å²	79.1	23%	0.226	45%	0.448	C	S	.	.	S	Bend	trans	-106.7	135.8	175.4	174.7	175.6	-176.2	-149	-0.6	111	R188 H193 E207	R188-R190 WeakPolarHBondContact CB-O 3.48Å; R190-H193 PolarHBondContact NH2-CD2 3.45Å; R190-E207 IonicContact CZ-OE1 3.08Å; R190-E207 IonicContact NH1-OE1 2.83Å; R190-E207 PolarHBondContact NH1-OE1 2.91Å; R190-E207 IonicContact NH2-OE1 3.48Å; R190-E207 PolarHBondContact NH2-OE1 2.79Å
191	A	89.3	Confident	91.1	Very high	89 Å²	89	79.4 Å²	79.4	74%	0.736	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-76.8	125.7	162.3	0	0	0	0	0	110.3
192	C	92	Very high	91.2	Very high	46 Å²	46	79.7 Å²	79.7	31%	0.311	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-84.3	144.7	178.8	-55.6	0	0	0	0	111.4	C162	C162-C192 WeakPolarHBondContact CA-SG 3.46Å; C162-C192 HydrophobicContact CB-CB 3.78Å; C162-C192 WeakPolarHBondContact CB-SG 3.28Å; C162-C192 VanDerWaalsContact SG-CA 3.53Å; C162-C192 WeakPolarHBondContact SG-CB 3.31Å; C162-C192 CovalentContact SG-SG 2.03Å; C162-C192 PolarHBondContact SG-SG 2.91Å
193	H	94.1	Very high	91.4	Very high	107 Å²	107	79.9 Å²	79.9	50%	0.495	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-72.5	157.1	167	-66	-65.2	0	0	0	110	Y163 R190 E207	Y163-H193 WeakPolarHBondContact CE1-O 3.31Å; Y163-H193 PolarHBondContact OH-N 2.88Å; Y163-H193 PolarHBondContact OH-O 3.23Å; R190-H193 PolarHBondContact NH2-CD2 3.45Å; H193-E207 HydrophobicContact CB-CG 4.29Å; H193-E207 IonicContact CD2-OE1 2.7Å; H193-E207 IonicContact CD2-OE2 2.67Å; H193-E207 PolarHBondContact CD2-OE2 2.78Å
194	P	94	Very high	91.5	Very high	112 Å²	112	76.2 Å²	76.2	73%	0.727	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-66.1	153.6	171.3	29.5	-35.6	0	0	0	111.1
195	C	94.3	Very high	91.6	Very high	18 Å²	18	74.2 Å²	74.2	12%	0.122	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-53.6	149.7	167.9	-67.6	0	0	0	0	111.2	C199 C204	C195-C199 HydrophobicContact CB-CB 4.32Å; C195-C204 WeakPolarHBondContact CA-SG 3.35Å; C195-C204 HydrophobicContact CB-CB 3.79Å; C195-C204 WeakPolarHBondContact CB-SG 3.21Å; C195-C204 WeakPolarHBondContact SG-CB 2.98Å; C195-C204 PolarHBondContact SG-N 3.41Å; C195-C204 VanDerWaalsContact SG-N 3.38Å; C195-C204 CovalentContact SG-SG 2.04Å; C195-C204 PolarHBondContact SG-SG 2.91Å
196	S	95.4	Very high	91.7	Very high	24 Å²	24	72.5 Å²	72.5	17%	0.168	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-50.5	136.4	174	-178	0	0	0	0	111.6	M198 C199	S196-M198 PolarHBondContact O-N 3.14Å; S196-C199 WeakPolarHBondContact O-CB 3.27Å; S196-C199 PolarHBondContact O-N 3.49Å; S196-C199 PolarHBondContact O-SG 3.34Å
197	P	93.9	Very high	91.8	Very high	134 Å²	134	73.2 Å²	73.2	87%	0.87	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.1	178.4	-27.6	35.9	0	0	0	115.3	C199	P197-C199 VanDerWaalsContact C-N 3.3Å
198	M	94.2	Very high	92	Very high	143 Å²	143	69.5 Å²	69.5	70%	0.704	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-26.5	171.7	-62.8	-60.6	-70.4	0	0	112.9	S196 K200	S196-M198 PolarHBondContact O-N 3.14Å; M198-K200 PolarHBondContact O-N 3.01Å
199	C	92.9	Very high	92.3	Very high	8 Å²	8	69.5 Å²	69.5	5%	0.054	41%	0.411	C	S	.	.	S	Bend	trans	-77.8	87.9	-176	-52	0	0	0	0	111	C195 S196 P197 G201 S202 C212	C195-C199 HydrophobicContact CB-CB 4.32Å; S196-C199 WeakPolarHBondContact O-CB 3.27Å; S196-C199 PolarHBondContact O-N 3.49Å; S196-C199 PolarHBondContact O-SG 3.34Å; P197-C199 VanDerWaalsContact C-N 3.3Å; C199-G201 PolarHBondContact O-N 2.58Å; C199-G201 VanDerWaalsContact O-N 3.16Å; C199-S202 PolarHBondContact O-N 3.22Å; C199-C212 WeakPolarHBondContact CA-SG 3.07Å; C199-C212 HydrophobicContact CB-CB 3.68Å; C199-C212 WeakPolarHBondContact CB-SG 3.45Å; C199-C212 PolarHBondContact N-SG 3.13Å; C199-C212 VanDerWaalsContact N-SG 3.44Å; C199-C212 WeakPolarHBondContact SG-CA 3.28Å; C199-C212 WeakPolarHBondContact SG-CB 3.44Å; C199-C212 CovalentContact SG-SG 2.04Å; C199-C212 PolarHBondContact SG-SG 3.05Å
200	K	85.1	Confident	92.7	Very high	201 Å²	201	70.7 Å²	70.7	87%	0.874	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	119.6	-178.6	-67.8	-170.4	179.1	-178.7	0	111.8	M198	M198-K200 PolarHBondContact O-N 3.01Å
201	G	88.7	Confident	93.2	Very high	51 Å²	51	68.1 Å²	68.1	53%	0.526	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	10.4	-175.1	0	0	0	0	0	114.8	C199 R203	C199-G201 PolarHBondContact O-N 2.58Å; C199-G201 VanDerWaalsContact O-N 3.16Å; G201-R203 WeakPolarHBondContact O-CG 3.39Å; G201-R203 PolarHBondContact O-N 2.85Å
202	S	93.3	Very high	93.5	Very high	87 Å²	87	65.3 Å²	65.3	61%	0.608	37%	0.371	S	S	*	.	S	Bend	trans	60.2	43.7	171.9	-50.7	0	0	0	0	114.4	C199	C199-S202 PolarHBondContact O-N 3.22Å
203	R	95.3	Very high	93.7	Very high	76 Å²	76	63.9 Å²	63.9	29%	0.287	36%	0.36	S	S	.	.			trans	-119.2	122.4	180	-47.7	-162.7	179.4	84.2	6.9	110.7	T166 G201 Q213	T166-R203 WeakPolarHBondContact O-CB 3.33Å; T166-R203 WeakPolarHBondContact O-CD 3.27Å; T166-R203 WeakPolarHBondContact O-CG 3.39Å; G201-R203 WeakPolarHBondContact O-CG 3.39Å; G201-R203 PolarHBondContact O-N 2.85Å; R203-Q213 HydrophobicContact CB-CB 3.91Å; R203-Q213 PolarHBondContact O-N 2.86Å
204	C	96.5	Very high	93.7	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-153.4	164	-177.7	63.1	0	0	0	0	111.6	Y163 T166 I167 C195 G206 D211	Y163-C204 WeakPolarHBondContact CB-O 3.42Å; Y163-C204 WeakPolarHBondContact CD1-SG 3.32Å; T166-C204 PolarHBondContact OG1-N 2.91Å; T166-C204 PolarHBondContact OG1-O 2.7Å; I167-C204 WeakPolarHBondContact CD1-O 3.18Å; C195-C204 WeakPolarHBondContact CA-SG 3.35Å; C195-C204 HydrophobicContact CB-CB 3.79Å; C195-C204 WeakPolarHBondContact CB-SG 3.21Å; C195-C204 WeakPolarHBondContact SG-CB 2.98Å; C195-C204 PolarHBondContact SG-N 3.41Å; C195-C204 VanDerWaalsContact SG-N 3.38Å; C195-C204 CovalentContact SG-SG 2.04Å; C195-C204 PolarHBondContact SG-SG 2.91Å; C204-G206 PolarHBondContact SG-O 3.23Å; C204-D211 CarbonylContact C-O 3.51Å; C204-D211 WeakPolarHBondContact CA-O 3.09Å
205	W	95.1	Very high	93.7	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.019	34%	0.335	C	S	.	.	S	Bend	trans	-101.6	-2.5	175.2	-63.1	98.3	0	0	0	113.5	L140 Q141 L142 L145 I167 W169 I172 D211	L140-W205 HydrophobicContact CB-CE3 4.23Å; Q141-W205 PolarHBondContact N-O 3.05Å; L142-W205 HydrophobicContact CB-CD2 4.02Å; L142-W205 HydrophobicContact CB-CE3 3.84Å; L142-W205 HydrophobicContact CB-CH2 3.93Å; L142-W205 HydrophobicContact CB-CZ2 4.1Å; L142-W205 HydrophobicContact CB-CZ3 3.81Å; L142-W205 HydrophobicContact CD1-CH2 4.35Å; L142-W205 HydrophobicContact CD1-CZ3 4.03Å; L142-W205 HydrophobicContact CG-CE3 4.42Å; L142-W205 HydrophobicContact CG-CZ3 4.27Å; L142-W205 VanDerWaalsContact O-CE2 3.24Å; L142-W205 PolarHBondContact O-NE1 2.79Å; L145-W205 HydrophobicContact CB-CZ2 4.35Å; L145-W205 HydrophobicContact CD2-CH2 4.32Å; I167-W205 HydrophobicContact CD1-CD2 3.48Å; I167-W205 VanDerWaalsContact CD1-CD2 3.48Å; I167-W205 HydrophobicContact CD1-CE3 3.88Å; I167-W205 HydrophobicContact CD1-CG 3.84Å; I167-W205 HydrophobicContact CD1-CH2 4.37Å; I167-W205 HydrophobicContact CD1-CZ2 4.03Å; I167-W205 HydrophobicContact CD1-CZ3 4.29Å; I167-W205 HydrophobicContact CG1-CD2 3.99Å; I167-W205 HydrophobicContact CG1-CE3 3.82Å; I167-W205 HydrophobicContact CG1-CH2 4.17Å; I167-W205 HydrophobicContact CG1-CZ2 4.32Å; I167-W205 HydrophobicContact CG1-CZ3 3.91Å; I167-W205 HydrophobicContact CG2-CH2 3.92Å; I167-W205 HydrophobicContact CG2-CZ2 4.04Å; I167-W205 HydrophobicContact CG2-CZ3 4.42Å; W169-W205 AromaticContact CH2-CH2 3.68Å; W169-W205 HydrophobicContact CH2-CH2 3.68Å; W169-W205 AromaticContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CH2-CZ3 3.72Å; W169-W205 HydrophobicContact CZ2-CH2 4.39Å; W169-W205 HydrophobicContact CZ2-CZ3 4.24Å; W169-W205 AromaticContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CH2 3.87Å; W169-W205 HydrophobicContact CZ3-CZ3 4.38Å; I172-W205 HydrophobicContact CD1-CH2 3.8Å; I172-W205 HydrophobicContact CD1-CZ2 3.6Å; W205-D211 HydrophobicContact CB-CB 4.27Å; W205-D211 PolarHBondContact N-O 2.96Å
206	G	93.5	Very high	93.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-178.2	176.6	-172.8	0	0	0	0	0	112	E139 C204 S208	E139-G206 VanDerWaalsContact CD-CA 3.46Å; E139-G206 WeakPolarHBondContact OE1-CA 3.24Å; C204-G206 PolarHBondContact SG-O 3.23Å; G206-S208 PolarHBondContact O-N 3.26Å
207	E	92.8	Very high	93.7	Very high	81 Å²	81	61 Å²	61	38%	0.379	34%	0.338	S	S	.	.	S	Bend	trans	-65	-18.6	-177.4	-73	172.8	-142.6	0	0	114.3	E139 Y163 R190 H193	E139-E207 PolarHBondContact OE1-N 2.81Å; Y163-E207 HydrophobicContact CE2-CG 4.02Å; Y163-E207 WeakPolarHBondContact OH-CG 3.38Å; R190-E207 IonicContact CZ-OE1 3.08Å; R190-E207 IonicContact NH1-OE1 2.83Å; R190-E207 PolarHBondContact NH1-OE1 2.91Å; R190-E207 IonicContact NH2-OE1 3.48Å; R190-E207 PolarHBondContact NH2-OE1 2.79Å; H193-E207 HydrophobicContact CB-CG 4.29Å; H193-E207 IonicContact CD2-OE1 2.7Å; H193-E207 IonicContact CD2-OE2 2.67Å; H193-E207 PolarHBondContact CD2-OE2 2.78Å
208	S	93.6	Very high	93.7	Very high	47 Å²	47	57.5 Å²	57.5	33%	0.329	31%	0.314	S	S	.	.	S	Bend	trans	-76.9	154.5	-172.7	-167.9	0	0	0	0	114.6	G206 E210 D211	G206-S208 PolarHBondContact O-N 3.26Å; S208-E210 PolarHBondContact O-N 3.39Å; S208-E210 PolarHBondContact OG-N 3.42Å; S208-E210 VanDerWaalsContact OG-N 3.12Å; S208-D211 WeakPolarHBondContact CB-OD2 3.49Å; S208-D211 PolarHBondContact O-N 3.31Å
209	S	93.7	Very high	93.7	Very high	70 Å²	70	53.4 Å²	53.4	49%	0.49	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.1	163.3	50.7	0	0	0	0	113.7	C212	S209-C212 PolarHBondContact O-SG 2.79Å; S209-C212 VanDerWaalsContact O-SG 3.38Å
210	E	94.4	Very high	93.7	Very high	125 Å²	125	54.3 Å²	54.3	58%	0.584	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.6	172.5	-63.4	-171.1	-173.2	0	0	113.2	R143 S208	R143-E210 IonicContact CZ-OE2 3.17Å; R143-E210 VanDerWaalsContact CZ-OE2 3.27Å; R143-E210 VanDerWaalsContact NH1-CB 3.33Å; R143-E210 IonicContact NH1-OE2 2.73Å; R143-E210 PolarHBondContact NH1-OE2 3.25Å; R143-E210 IonicContact NH2-OE2 2.69Å; R143-E210 PolarHBondContact NH2-OE2 3.4Å; S208-E210 PolarHBondContact O-N 3.39Å; S208-E210 PolarHBondContact OG-N 3.42Å; S208-E210 VanDerWaalsContact OG-N 3.12Å
211	D	94.8	Very high	93.9	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	27%	0.27	C	S	.	.			trans	-96.7	7.7	-174.9	-62.7	-41.3	0	0	0	113	R143 C204 W205 S208 Q213	R143-D211 WeakPolarHBondContact CD-OD1 3.36Å; R143-D211 IonicContact NH1-OD1 2.86Å; C204-D211 CarbonylContact C-O 3.51Å; C204-D211 WeakPolarHBondContact CA-O 3.09Å; W205-D211 HydrophobicContact CB-CB 4.27Å; W205-D211 PolarHBondContact N-O 2.96Å; S208-D211 WeakPolarHBondContact CB-OD2 3.49Å; S208-D211 PolarHBondContact O-N 3.31Å; D211-Q213 PolarHBondContact O-N 2.95Å
212	C	96.1	Very high	93.9	Very high	30 Å²	30	47.3 Å²	47.3	20%	0.203	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-57.4	135.2	173.2	-57.8	0	0	0	0	111.2	C199 S209 S214	C199-C212 WeakPolarHBondContact CA-SG 3.07Å; C199-C212 HydrophobicContact CB-CB 3.68Å; C199-C212 WeakPolarHBondContact CB-SG 3.45Å; C199-C212 PolarHBondContact N-SG 3.13Å; C199-C212 VanDerWaalsContact N-SG 3.44Å; C199-C212 WeakPolarHBondContact SG-CA 3.28Å; C199-C212 WeakPolarHBondContact SG-CB 3.44Å; C199-C212 CovalentContact SG-SG 2.04Å; C199-C212 PolarHBondContact SG-SG 3.05Å; S209-C212 PolarHBondContact O-SG 2.79Å; S209-C212 VanDerWaalsContact O-SG 3.38Å; C212-S214 PolarHBondContact O-N 2.64Å
213	Q	96	Very high	93.4	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.075	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-65.6	119.1	178.5	-169.2	-169.6	2.8	0	0	110.5	I167 L168 R203 D211 L215	I167-Q213 HydrophobicContact CD1-CB 4.2Å; I167-Q213 HydrophobicContact CD1-CG 4.35Å; L168-Q213 PolarHBondContact O-NE2 2.98Å; R203-Q213 HydrophobicContact CB-CB 3.91Å; R203-Q213 PolarHBondContact O-N 2.86Å; D211-Q213 PolarHBondContact O-N 2.95Å; Q213-L215 HydrophobicContact CB-CD1 4.29Å; Q213-L215 HydrophobicContact CG-CD1 4.11Å; Q213-L215 WeakPolarHBondContact O-CD1 3.5Å
214	S	94.3	Very high	93.1	Very high	66 Å²	66	45.7 Å²	45.7	46%	0.462	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-73.8	126.8	167.6	-169.5	0	0	0	0	109.7	C212	C212-S214 PolarHBondContact O-N 2.64Å
215	L	94.8	Very high	92.9	Very high	48 Å²	48	47.6 Å²	47.6	25%	0.251	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-100.1	127.2	177.2	-85	65.6	0	0	0	109.3	L168 D171 Q213 V219	L168-L215 HydrophobicContact CD2-CD2 4.12Å; D171-L215 HydrophobicContact CB-CG 4.49Å; D171-L215 WeakPolarHBondContact OD2-CA 3.1Å; Q213-L215 HydrophobicContact CB-CD1 4.29Å; Q213-L215 HydrophobicContact CG-CD1 4.11Å; Q213-L215 WeakPolarHBondContact O-CD1 3.5Å; L215-V219 HydrophobicContact CB-CB 4.35Å; L215-V219 HydrophobicContact CB-CG1 4.18Å; L215-V219 WeakPolarHBondContact O-CG1 3.09Å
216	T	95.4	Very high	92.9	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.055	32%	0.316	C	S	.	.	S	Bend	trans	-134.5	2.2	-174.8	59.4	0	0	0	0	113.9	T146 D171 C220 R226 C227	T146-T216 HydrophobicContact CG2-CG2 4.26Å; D171-T216 PolarHBondContact OD2-N 3.18Å; T216-C220 PolarHBondContact O-SG 3.46Å; T216-R226 CarbonylContact O-C 3.53Å; T216-R226 VanDerWaalsContact O-CA 3.3Å; T216-R226 WeakPolarHBondContact O-CA 3.39Å; T216-R226 WeakPolarHBondContact O-CD 3.08Å; T216-R226 PolarHBondContact OG1-NH1 2.57Å; T216-C227 WeakPolarHBondContact CA-O 3.47Å; T216-C227 WeakPolarHBondContact CB-O 3.41Å; T216-C227 PolarHBondContact O-N 2.81Å
217	R	94.3	Very high	93	Very high	77 Å²	77	47.6 Å²	47.6	29%	0.291	32%	0.316	S	S	.	.	S	Bend	trans	-124.8	-50.8	177.1	-177.4	-174.5	168.5	-156.8	-7.7	113.3	K170 D171 F173 H174 C220	K170-R217 PolarHBondContact O-NH1 3.25Å; D171-R217 WeakPolarHBondContact O-CB 3.42Å; D171-R217 PolarHBondContact OD1-N 3.21Å; D171-R217 PolarHBondContact OD2-N 3.29Å; F173-R217 WeakPolarHBondContact O-CD 3.44Å; F173-R217 PolarHBondContact O-NH1 3.41Å; H174-R217 PolarHBondContact O-NH1 2.82Å; R217-C220 PolarHBondContact O-SG 3.19Å
218	T	93.3	Very high	93.1	Very high	60 Å²	60	50.2 Å²	50.2	37%	0.368	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.5	-171.4	62.5	0	0	0	0	114.3	K170 D171	K170-T218 HydrophobicContact CG-CG2 4.17Å; D171-T218 HydrophobicContact CB-CG2 4.04Å; D171-T218 WeakPolarHBondContact OD1-CA 3.46Å; D171-T218 VanDerWaalsContact OD1-CB 3.28Å; D171-T218 WeakPolarHBondContact OD1-CB 3.47Å; D171-T218 WeakPolarHBondContact OD1-CG2 3.18Å; D171-T218 PolarHBondContact OD1-N 3.48Å; D171-T218 PolarHBondContact OD1-OG1 3.36Å
219	V	93.5	Very high	93	Very high	58 Å²	58	48.5 Å²	48.5	35%	0.352	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-9.3	175.7	70.7	0	0	0	0	112.8	L215 P230	L215-V219 HydrophobicContact CB-CB 4.35Å; L215-V219 HydrophobicContact CB-CG1 4.18Å; L215-V219 WeakPolarHBondContact O-CG1 3.09Å; V219-P230 HydrophobicContact CG2-CB 4.3Å; V219-P230 WeakPolarHBondContact O-CA 3.37Å
220	C	93.3	Very high	93	Very high	26 Å²	26	49.2 Å²	49.2	18%	0.176	32%	0.319	C	S	.	.	S	Bend	trans	-74.6	158	-168.3	-51.8	0	0	0	0	114.3	T216 R217 C224 C227	T216-C220 PolarHBondContact O-SG 3.46Å; R217-C220 PolarHBondContact O-SG 3.19Å; C220-C224 HydrophobicContact CB-CB 4.37Å; C220-C227 WeakPolarHBondContact CA-SG 3.24Å; C220-C227 HydrophobicContact CB-CB 3.73Å; C220-C227 WeakPolarHBondContact CB-SG 3.21Å; C220-C227 WeakPolarHBondContact SG-CB 3.21Å; C220-C227 PolarHBondContact SG-N 2.86Å; C220-C227 VanDerWaalsContact SG-N 3.38Å; C220-C227 CovalentContact SG-SG 2.03Å; C220-C227 PolarHBondContact SG-SG 2.79Å
221	A	90.2	Very high	92.9	Very high	21 Å²	21	48 Å²	48	17%	0.174	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-64	151.4	165.5	0	0	0	0	0	111.8	G223 C224 P232	A221-G223 PolarHBondContact O-N 3.04Å; A221-C224 PolarHBondContact O-N 2.84Å; A221-P232 HydrophobicContact CB-CB 4.25Å; A221-P232 HydrophobicContact CB-CG 3.82Å
222	G	87.1	Confident	92.7	Very high	85 Å²	85	52.4 Å²	52.4	88%	0.876	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	135.1	179.5	0	0	0	0	0	112.6
223	G	84.4	Confident	92.5	Very high	89 Å²	89	56.2 Å²	56.2	92%	0.918	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-19.3	-176.6	0	0	0	0	0	114.3	A221	A221-G223 PolarHBondContact O-N 3.04Å
224	C	88.9	Confident	92.4	Very high	39 Å²	39	57.6 Å²	57.6	26%	0.264	38%	0.375	S	S	.	.			trans	-90.6	133.3	-178.4	-52.1	0	0	0	0	112.1	C220 A221 C235	C220-C224 HydrophobicContact CB-CB 4.37Å; A221-C224 PolarHBondContact O-N 2.84Å; C224-C235 HydrophobicContact CB-CB 3.68Å; C224-C235 WeakPolarHBondContact CB-SG 3.33Å; C224-C235 WeakPolarHBondContact SG-CB 3.3Å; C224-C235 CovalentContact SG-SG 2.02Å; C224-C235 PolarHBondContact SG-SG 2.94Å
225	A	90.8	Very high	92.4	Very high	41 Å²	41	55.2 Å²	55.2	34%	0.339	36%	0.359	S	S	.	.	S	Bend	trans	-73.2	-41.5	174.9	0	0	0	0	0	112.3
226	R	95.2	Very high	92.5	Very high	5 Å²	5	53.8 Å²	53.8	2%	0.019	35%	0.352	C	S	.	.	S	Bend	trans	-140.9	155.1	178.9	-69.8	-70.3	-174.6	172.3	-10.5	110.6	T146 E147 D171 I172 T216 C236 A241	T146-R226 VanDerWaalsContact O-CZ 3.23Å; T146-R226 PolarHBondContact O-NH1 2.88Å; T146-R226 PolarHBondContact O-NH2 3.45Å; E147-R226 IonicContact OE1-CZ 3.5Å; E147-R226 IonicContact OE1-NH2 2.71Å; E147-R226 PolarHBondContact OE1-NH2 2.94Å; E147-R226 IonicContact OE2-CZ 3.54Å; E147-R226 VanDerWaalsContact OE2-CZ 3.26Å; E147-R226 IonicContact OE2-NE 2.72Å; E147-R226 PolarHBondContact OE2-NE 3.2Å; E147-R226 IonicContact OE2-NH2 2.72Å; E147-R226 PolarHBondContact OE2-NH2 2.9Å; D171-R226 PolarHBondContact O-NH1 3.31Å; D171-R226 VanDerWaalsContact O-NH1 3.11Å; D171-R226 PolarHBondContact O-NH2 3.16Å; I172-R226 PolarHBondContact O-NH2 3.19Å; I172-R226 VanDerWaalsContact O-NH2 3.14Å; T216-R226 CarbonylContact O-C 3.53Å; T216-R226 VanDerWaalsContact O-CA 3.3Å; T216-R226 WeakPolarHBondContact O-CA 3.39Å; T216-R226 WeakPolarHBondContact O-CD 3.08Å; T216-R226 PolarHBondContact OG1-NH1 2.57Å; R226-C236 HydrophobicContact CB-CB 4.14Å; R226-C236 PolarHBondContact O-N 2.83Å; R226-A241 VanDerWaalsContact CD-O 3.28Å; R226-A241 WeakPolarHBondContact CD-O 3.29Å; R226-A241 VanDerWaalsContact CG-O 3.31Å; R226-A241 WeakPolarHBondContact CG-O 3.4Å; R226-A241 PolarHBondContact NE-O 2.91Å
227	C	95.7	Very high	92.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-151.4	163.7	178.9	63.4	0	0	0	0	112.6	T216 C220 G229 D234 C236	T216-C227 WeakPolarHBondContact CA-O 3.47Å; T216-C227 WeakPolarHBondContact CB-O 3.41Å; T216-C227 PolarHBondContact O-N 2.81Å; C220-C227 WeakPolarHBondContact CA-SG 3.24Å; C220-C227 HydrophobicContact CB-CB 3.73Å; C220-C227 WeakPolarHBondContact CB-SG 3.21Å; C220-C227 WeakPolarHBondContact SG-CB 3.21Å; C220-C227 PolarHBondContact SG-N 2.86Å; C220-C227 VanDerWaalsContact SG-N 3.38Å; C220-C227 CovalentContact SG-SG 2.03Å; C220-C227 PolarHBondContact SG-SG 2.79Å; C227-G229 WeakPolarHBondContact CB-O 3.33Å; C227-G229 PolarHBondContact SG-O 2.87Å; C227-D234 CarbonylContact C-O 3.58Å; C227-D234 WeakPolarHBondContact CA-O 3.28Å; C227-D234 WeakPolarHBondContact CB-O 3.41Å; C227-C236 VanDerWaalsContact CA-SG 3.52Å
228	K	95.4	Very high	92.5	Very high	135 Å²	135	60.1 Å²	60.1	59%	0.587	39%	0.385	S	S	*	.	S	Bend	trans	-92	-11.9	170.1	-171.9	-179.9	178.5	-172.9	0	112.8	D234 T245	K228-D234 HydrophobicContact CB-CB 4.43Å; K228-D234 PolarHBondContact N-O 3.45Å; K228-T245 PolarHBondContact NZ-O 3.38Å
229	G	92.6	Very high	92.6	Very high	11 Å²	11	58.4 Å²	58.4	11%	0.113	37%	0.372	C	S	.	.	S	Bend	trans	-176.6	-178.6	-170.6	0	0	0	0	0	112.9	C227 D234	C227-G229 WeakPolarHBondContact CB-O 3.33Å; C227-G229 PolarHBondContact SG-O 2.87Å; G229-D234 WeakPolarHBondContact CA-OD2 3.43Å
230	P	92.4	Very high	92.7	Very high	86 Å²	86	55.8 Å²	55.8	56%	0.558	36%	0.357	S	S	*	.	S	Bend	trans	-82.6	-10.3	-170	33.7	-36.7	0	0	0	115.2	V219 D234	V219-P230 HydrophobicContact CG2-CB 4.3Å; V219-P230 WeakPolarHBondContact O-CA 3.37Å; P230-D234 WeakPolarHBondContact CD-OD2 3.39Å
231	L	92.6	Very high	92.7	Very high	99 Å²	99	54.6 Å²	54.6	52%	0.518	35%	0.348	S	S	.	.	S	Bend	trans	-86.8	152	-177.8	-56.2	176.3	0	0	0	111	T233 D234	L231-T233 WeakPolarHBondContact CB-OG1 3.2Å; L231-T233 PolarHBondContact O-N 2.98Å; L231-T233 VanDerWaalsContact O-N 3.11Å; L231-D234 WeakPolarHBondContact CB-OD2 3.42Å; L231-D234 PolarHBondContact N-OD2 2.93Å; L231-D234 WeakPolarHBondContact O-CB 3.4Å; L231-D234 PolarHBondContact O-N 3.03Å
232	P	89.8	Confident	92.9	Very high	100 Å²	100	53.6 Å²	53.6	65%	0.649	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-57.4	-24.5	170.9	-24	33.5	0	0	0	113.8	A221 D234 C235	A221-P232 HydrophobicContact CB-CB 4.25Å; A221-P232 HydrophobicContact CB-CG 3.82Å; P232-D234 VanDerWaalsContact C-N 3.28Å; P232-C235 PolarHBondContact O-SG 3.47Å
233	T	92.5	Very high	93.2	Very high	109 Å²	109	49.6 Å²	49.6	67%	0.669	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-73.8	-16.6	173.9	50.4	0	0	0	0	114	L231 C235	L231-T233 WeakPolarHBondContact CB-OG1 3.2Å; L231-T233 PolarHBondContact O-N 2.98Å; L231-T233 VanDerWaalsContact O-N 3.11Å; T233-C235 VanDerWaalsContact C-N 3.34Å
234	D	94.4	Very high	93.8	Very high	45 Å²	45	45.7 Å²	45.7	24%	0.241	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-92.5	0.6	-179.5	-50.7	-28.1	0	0	0	111.8	C227 K228 G229 P230 L231 P232	C227-D234 CarbonylContact C-O 3.58Å; C227-D234 WeakPolarHBondContact CA-O 3.28Å; C227-D234 WeakPolarHBondContact CB-O 3.41Å; K228-D234 HydrophobicContact CB-CB 4.43Å; K228-D234 PolarHBondContact N-O 3.45Å; G229-D234 WeakPolarHBondContact CA-OD2 3.43Å; P230-D234 WeakPolarHBondContact CD-OD2 3.39Å; L231-D234 WeakPolarHBondContact CB-OD2 3.42Å; L231-D234 PolarHBondContact N-OD2 2.93Å; L231-D234 WeakPolarHBondContact O-CB 3.4Å; L231-D234 PolarHBondContact O-N 3.03Å; P232-D234 VanDerWaalsContact C-N 3.28Å
235	C	94.8	Very high	94.2	Very high	17 Å²	17	47.8 Å²	47.8	12%	0.115	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-69.8	140.5	-179.3	-65.4	0	0	0	0	112	C224 P232 T233	C224-C235 HydrophobicContact CB-CB 3.68Å; C224-C235 WeakPolarHBondContact CB-SG 3.33Å; C224-C235 WeakPolarHBondContact SG-CB 3.3Å; C224-C235 CovalentContact SG-SG 2.02Å; C224-C235 PolarHBondContact SG-SG 2.94Å; P232-C235 PolarHBondContact O-SG 3.47Å; T233-C235 VanDerWaalsContact C-N 3.34Å
236	C	96	Very high	94.3	Very high	18 Å²	18	46.6 Å²	46.6	12%	0.122	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-82.3	162.4	179.8	-58.1	0	0	0	0	111.6	R226 C227 C240 C244	R226-C236 HydrophobicContact CB-CB 4.14Å; R226-C236 PolarHBondContact O-N 2.83Å; C227-C236 VanDerWaalsContact CA-SG 3.52Å; C236-C240 HydrophobicContact CB-CB 3.82Å; C236-C244 WeakPolarHBondContact CA-SG 3.4Å; C236-C244 HydrophobicContact CB-CB 3.64Å; C236-C244 WeakPolarHBondContact CB-SG 3.3Å; C236-C244 WeakPolarHBondContact SG-CB 3.31Å; C236-C244 PolarHBondContact SG-N 2.99Å; C236-C244 CovalentContact SG-SG 2.03Å; C236-C244 PolarHBondContact SG-SG 3.02Å
237	H	96	Very high	94.2	Very high	68 Å²	68	50.4 Å²	50.4	32%	0.315	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-59.3	148.3	166.5	-162	-100.2	0	0	0	110.7	Q239 C240 P247 H249	H237-Q239 PolarHBondContact ND1-N 2.86Å; H237-Q239 PolarHBondContact O-N 2.91Å; H237-Q239 VanDerWaalsContact O-N 3.16Å; H237-C240 VanDerWaalsContact O-CB 3.26Å; H237-C240 WeakPolarHBondContact O-CB 3.47Å; H237-C240 PolarHBondContact O-N 3.47Å; H237-C240 PolarHBondContact O-SG 2.7Å; H237-P247 PolarHBondContact N-O 3.47Å; H237-H249 HydrophobicContact CB-CB 4.48Å
238	E	93.7	Very high	94.1	Very high	151 Å²	151	56.4 Å²	56.4	71%	0.706	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	-177.1	-174.3	166.1	-130.6	0	0	113.4	C240	E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.01Å
239	Q	95.3	Very high	93.9	Very high	23 Å²	23	53.3 Å²	53.3	11%	0.107	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	4.8	175.3	-57.5	-57.6	-40.3	0	0	114.2	H237 L256 H257 C264	H237-Q239 PolarHBondContact ND1-N 2.86Å; H237-Q239 PolarHBondContact O-N 2.91Å; H237-Q239 VanDerWaalsContact O-N 3.16Å; Q239-L256 PolarHBondContact O-N 3.39Å; Q239-H257 PolarHBondContact OE1-ND1 3.16Å; Q239-C264 HydrophobicContact CB-CB 3.86Å; Q239-C264 WeakPolarHBondContact CB-O 3.23Å
240	C	95.7	Very high	94	Very high	4 Å²	4	55.4 Å²	55.4	3%	0.027	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-89.9	129.1	173.7	-58.6	0	0	0	0	111.6	C236 H237 E238 C252	C236-C240 HydrophobicContact CB-CB 3.82Å; H237-C240 VanDerWaalsContact O-CB 3.26Å; H237-C240 WeakPolarHBondContact O-CB 3.47Å; H237-C240 PolarHBondContact O-N 3.47Å; H237-C240 PolarHBondContact O-SG 2.7Å; E238-C240 VanDerWaalsContact C-N 3.29Å; E238-C240 PolarHBondContact O-N 3.01Å; C240-C252 WeakPolarHBondContact CA-SG 3.46Å; C240-C252 HydrophobicContact CB-CB 3.63Å; C240-C252 WeakPolarHBondContact CB-SG 3.41Å; C240-C252 WeakPolarHBondContact SG-CA 3.49Å; C240-C252 WeakPolarHBondContact SG-CB 3.37Å; C240-C252 CovalentContact SG-SG 2.03Å; C240-C252 PolarHBondContact SG-SG 2.97Å
241	A	93.3	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-102	-62.6	-177.7	0	0	0	0	0	112.7	I101 E147 L149 R226 G243 A254 L256	I101-A241 HydrophobicContact CD1-CB 3.78Å; E147-A241 HydrophobicContact CG-CB 4.04Å; L149-A241 HydrophobicContact CD2-CB 4.46Å; R226-A241 VanDerWaalsContact CD-O 3.28Å; R226-A241 WeakPolarHBondContact CD-O 3.29Å; R226-A241 VanDerWaalsContact CG-O 3.31Å; R226-A241 WeakPolarHBondContact CG-O 3.4Å; R226-A241 PolarHBondContact NE-O 2.91Å; A241-G243 PolarHBondContact O-N 2.83Å; A241-A254 PolarHBondContact N-O 2.76Å; A241-L256 HydrophobicContact CB-CB 4.29Å; A241-L256 HydrophobicContact CB-CD1 4.32Å
242	A	93.8	Very high	94.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	28%	0.278	C	S	.	.	S	Bend	trans	-74.6	19.3	-179.1	0	0	0	0	0	114.8	R100 T146 E147 L253 A254	R100-A242 HydrophobicContact CB-CB 4.03Å; T146-A242 WeakPolarHBondContact OG1-CA 3.5Å; T146-A242 WeakPolarHBondContact OG1-CB 3.27Å; T146-A242 PolarHBondContact OG1-O 3.29Å; T146-A242 VanDerWaalsContact OG1-O 3.11Å; E147-A242 HydrophobicContact CB-CB 4.46Å; A242-L253 HydrophobicContact CB-CB 4.02Å; A242-L253 WeakPolarHBondContact O-CD1 3.27Å; A242-A254 HydrophobicContact CB-CB 3.7Å
243	G	95.1	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.264	C	S	.	.			trans	84.2	-164.3	-166.6	0	0	0	0	0	113.3	A241 L253	A241-G243 PolarHBondContact O-N 2.83Å; G243-L253 PolarHBondContact O-N 2.85Å
244	C	96.5	Very high	94.7	Very high	8 Å²	8	43 Å²	43	5%	0.054	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-154.7	161.3	-168.8	60.7	0	0	0	0	114.1	C236 G246 D251	C236-C244 WeakPolarHBondContact CA-SG 3.4Å; C236-C244 HydrophobicContact CB-CB 3.64Å; C236-C244 WeakPolarHBondContact CB-SG 3.3Å; C236-C244 WeakPolarHBondContact SG-CB 3.31Å; C236-C244 PolarHBondContact SG-N 2.99Å; C236-C244 CovalentContact SG-SG 2.03Å; C236-C244 PolarHBondContact SG-SG 3.02Å; C244-G246 VanDerWaalsContact CB-O 3.25Å; C244-G246 WeakPolarHBondContact CB-O 3.42Å; C244-G246 PolarHBondContact SG-O 3.29Å; C244-D251 CarbonylContact C-O 3.58Å; C244-D251 WeakPolarHBondContact CA-O 3.48Å
245	T	95.9	Very high	94.7	Very high	83 Å²	83	41 Å²	41	51%	0.509	22%	0.224	S	C	.	.	S	Bend	trans	-91.1	-20.3	171.3	61.7	0	0	0	0	112.8	K228 D251 L253	K228-T245 PolarHBondContact NZ-O 3.38Å; T245-D251 PolarHBondContact N-O 2.93Å; T245-D251 PolarHBondContact OG1-O 3.07Å; T245-L253 HydrophobicContact CG2-CD2 3.86Å
246	G	93	Very high	94.7	Very high	16 Å²	16	41.5 Å²	41.5	17%	0.165	23%	0.226	C	C	.	.	S	Bend	trans	-164.9	-178.4	-178.5	0	0	0	0	0	110.9	C244 D251	C244-G246 VanDerWaalsContact CB-O 3.25Å; C244-G246 WeakPolarHBondContact CB-O 3.42Å; C244-G246 PolarHBondContact SG-O 3.29Å; G246-D251 WeakPolarHBondContact CA-OD2 3.33Å; G246-D251 WeakPolarHBondContact O-CB 3.37Å
247	P	93.2	Very high	94.5	Very high	84 Å²	84	43.9 Å²	43.9	55%	0.545	24%	0.235	S	C	.	.	S	Bend	trans	-84	-5.7	-169.2	33.6	-36.7	0	0	0	115.4	H237	H237-P247 PolarHBondContact N-O 3.47Å
248	K	93.5	Very high	94.3	Very high	127 Å²	127	42.5 Å²	42.5	55%	0.552	23%	0.228	S	C	*	.	S	Bend	trans	-88.5	160.4	-176.7	-56.4	172.8	174.6	-178	0	112.6	S250 D251	K248-S250 WeakPolarHBondContact CB-OG 3.4Å; K248-S250 PolarHBondContact O-N 2.98Å; K248-D251 HydrophobicContact CB-CB 4.49Å; K248-D251 WeakPolarHBondContact CB-OD2 3.14Å; K248-D251 PolarHBondContact N-OD2 3.22Å; K248-D251 WeakPolarHBondContact O-CB 3.43Å; K248-D251 PolarHBondContact O-N 3.48Å
249	H	92.7	Very high	94.3	Very high	70 Å²	70	37.9 Å²	37.9	32%	0.324	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18	168.9	55.2	84.2	0	0	0	114.2	H237 D251 I263 C264	H237-H249 HydrophobicContact CB-CB 4.48Å; H249-D251 VanDerWaalsContact C-N 3.34Å; H249-I263 VanDerWaalsContact ND1-CG2 3.25Å; H249-I263 WeakPolarHBondContact ND1-CG2 3.41Å; H249-C264 PolarHBondContact O-N 3.39Å
250	S	94.8	Very high	94.2	Very high	54 Å²	54	38.3 Å²	38.3	38%	0.378	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-14.4	170.7	51.9	0	0	0	0	114.1	K248	K248-S250 WeakPolarHBondContact CB-OG 3.4Å; K248-S250 PolarHBondContact O-N 2.98Å
251	D	96	Very high	93.9	Very high	35 Å²	35	43.3 Å²	43.3	19%	0.187	25%	0.245	C	C	.	.	S	Bend	trans	-103.6	-0.1	-165.4	-52.4	-10.4	0	0	0	111.9	C244 T245 G246 K248 H249	C244-D251 CarbonylContact C-O 3.58Å; C244-D251 WeakPolarHBondContact CA-O 3.48Å; T245-D251 PolarHBondContact N-O 2.93Å; T245-D251 PolarHBondContact OG1-O 3.07Å; G246-D251 WeakPolarHBondContact CA-OD2 3.33Å; G246-D251 WeakPolarHBondContact O-CB 3.37Å; K248-D251 HydrophobicContact CB-CB 4.49Å; K248-D251 WeakPolarHBondContact CB-OD2 3.14Å; K248-D251 PolarHBondContact N-OD2 3.22Å; K248-D251 WeakPolarHBondContact O-CB 3.43Å; K248-D251 PolarHBondContact O-N 3.48Å; H249-D251 VanDerWaalsContact C-N 3.34Å
252	C	96	Very high	93.6	Very high	24 Å²	24	45.3 Å²	45.3	16%	0.162	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-65.7	149.7	-176.9	-55.3	0	0	0	0	113.1	C240 C264	C240-C252 WeakPolarHBondContact CA-SG 3.46Å; C240-C252 HydrophobicContact CB-CB 3.63Å; C240-C252 WeakPolarHBondContact CB-SG 3.41Å; C240-C252 WeakPolarHBondContact SG-CA 3.49Å; C240-C252 WeakPolarHBondContact SG-CB 3.37Å; C240-C252 CovalentContact SG-SG 2.03Å; C240-C252 PolarHBondContact SG-SG 2.97Å; C252-C264 VanDerWaalsContact CB-SG 3.51Å
253	L	94.9	Very high	93.6	Very high	69 Å²	69	48.2 Å²	48.2	36%	0.361	28%	0.28	S	S	.	.	S	Bend	trans	-84.9	-23.2	174	-66.8	176.3	0	0	0	113.5	R100 A242 G243 T245	R100-L253 WeakPolarHBondContact CD-O 3.1Å; A242-L253 HydrophobicContact CB-CB 4.02Å; A242-L253 WeakPolarHBondContact O-CD1 3.27Å; G243-L253 PolarHBondContact O-N 2.85Å; T245-L253 HydrophobicContact CG2-CD2 3.86Å
254	A	93.9	Very high	93.6	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.041	28%	0.282	C	S	.	.	S	Bend	trans	-158	148.2	167.5	0	0	0	0	0	108.2	I101 A241 A242	I101-A254 HydrophobicContact CB-CB 4.43Å; I101-A254 HydrophobicContact CD1-CB 4.4Å; I101-A254 HydrophobicContact CG2-CB 3.97Å; A241-A254 PolarHBondContact N-O 2.76Å; A242-A254 HydrophobicContact CB-CB 3.7Å
255	C	94.9	Very high	93.3	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.034	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-84.9	139.3	179.3	-57.6	0	0	0	0	111.6	R103 N259 C264	R103-C255 PolarHBondContact NH1-O 2.97Å; R103-C255 PolarHBondContact NH2-O 3.16Å; C255-N259 HydrophobicContact CB-CB 4.38Å; C255-C264 WeakPolarHBondContact CA-SG 3.45Å; C255-C264 HydrophobicContact CB-CB 3.59Å; C255-C264 WeakPolarHBondContact CB-SG 3.18Å; C255-C264 WeakPolarHBondContact SG-CA 3.44Å; C255-C264 WeakPolarHBondContact SG-CB 3.48Å; C255-C264 CovalentContact SG-SG 2.03Å; C255-C264 PolarHBondContact SG-SG 3.16Å
256	L	94.4	Very high	93.1	Very high	27 Å²	27	50.5 Å²	50.5	14%	0.141	29%	0.287	C	S	.	.	S	Bend	trans	-62.9	-52.8	176.1	-176.5	61.5	0	0	0	110.9	R103 L149 Q239 A241	R103-L256 PolarHBondContact NH1-O 3.34Å; L149-L256 HydrophobicContact CD1-CD1 4.44Å; L149-L256 HydrophobicContact CD2-CD1 3.58Å; Q239-L256 PolarHBondContact O-N 3.39Å; A241-L256 HydrophobicContact CB-CB 4.29Å; A241-L256 HydrophobicContact CB-CD1 4.32Å
257	H	92.2	Very high	92.9	Very high	67 Å²	67	55.6 Å²	55.6	31%	0.31	31%	0.307	S	S	.	.	S	Bend	trans	-102.4	-90.5	177.8	-58.8	99.8	0	0	0	111.4	Q239 E265 L266	Q239-H257 PolarHBondContact OE1-ND1 3.16Å; H257-E265 WeakPolarHBondContact CB-O 3.3Å; H257-L266 VanDerWaalsContact CE1-CD1 3.49Å; H257-L266 WeakPolarHBondContact CE1-CD1 3.34Å; H257-L266 WeakPolarHBondContact ND1-CD1 3.4Å
258	F	92.6	Very high	92.8	Very high	40 Å²	40	52.4 Å²	52.4	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.4	-173.7	-57.4	-79.9	0	0	0	113.4	C264 E265 L266 T290 A293	F258-C264 WeakPolarHBondContact O-CA 3.27Å; F258-E265 PolarHBondContact N-O 2.8Å; F258-E265 PolarHBondContact O-N 2.75Å; F258-L266 WeakPolarHBondContact CD2-O 3.36Å; F258-L266 WeakPolarHBondContact CE2-O 3.24Å; F258-T290 HydrophobicContact CD1-CG2 4.09Å; F258-T290 HydrophobicContact CE1-CG2 3.6Å; F258-T290 HydrophobicContact CE2-CG2 4.3Å; F258-T290 HydrophobicContact CZ-CG2 3.72Å; F258-A293 CarbonylContact C-O 3.31Å; F258-A293 WeakPolarHBondContact CA-O 3.45Å
259	N	92.7	Very high	92.6	Very high	53 Å²	53	47.7 Å²	47.7	28%	0.283	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106.4	167.1	-175.1	-13.7	0	0	0	110.1	C255 G262 A293 S294 C295	C255-N259 HydrophobicContact CB-CB 4.38Å; N259-G262 WeakPolarHBondContact OD1-CA 3.48Å; N259-G262 PolarHBondContact OD1-N 2.97Å; N259-A293 PolarHBondContact N-O 3.24Å; N259-S294 WeakPolarHBondContact O-CA 3.3Å; N259-C295 PolarHBondContact O-N 3.47Å
260	H	92.5	Very high	92.4	Very high	32 Å²	32	47.3 Å²	47.3	15%	0.148	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	92.3	171	-176.1	-156.4	0	0	0	109.3	G262 I263 E265 P269 C295	H260-G262 PolarHBondContact O-N 2.81Å; H260-G262 VanDerWaalsContact O-N 3.08Å; H260-I263 PolarHBondContact N-O 2.67Å; H260-I263 WeakPolarHBondContact O-CB 3.39Å; H260-I263 PolarHBondContact O-N 3.24Å; H260-E265 HydrophobicContact CB-CG 4.47Å; H260-E265 IonicContact CE1-OE1 3.38Å; H260-E265 IonicContact CG-OE1 2.78Å; H260-E265 IonicContact CG-OE2 3.55Å; H260-E265 VanDerWaalsContact ND1-CD 3.32Å; H260-E265 IonicContact ND1-OE1 2.73Å; H260-E265 PolarHBondContact ND1-OE1 3.41Å; H260-E265 IonicContact ND1-OE2 3.24Å; H260-E265 PolarHBondContact ND1-OE2 2.83Å; H260-E265 VanDerWaalsContact ND1-OE2 3.12Å; H260-P269 VanDerWaalsContact CE1-CG 3.42Å; H260-P269 WeakPolarHBondContact CE1-CG 3.49Å; H260-C295 HydrophobicContact CB-CB 4.09Å
261	S	89.3	Confident	92.1	Very high	109 Å²	109	46.6 Å²	46.6	76%	0.762	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	31.7	173.2	-53.8	0	0	0	0	115.6
262	G	88	Confident	91.5	Very high	42 Å²	42	49 Å²	49	43%	0.433	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	100	0.6	-176.4	0	0	0	0	0	114.9	N259 H260	N259-G262 WeakPolarHBondContact OD1-CA 3.48Å; N259-G262 PolarHBondContact OD1-N 2.97Å; H260-G262 PolarHBondContact O-N 2.81Å; H260-G262 VanDerWaalsContact O-N 3.08Å
263	I	93.3	Very high	90.8	Very high	62 Å²	62	50.8 Å²	50.8	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	175	-78.5	165.9	0	0	0	109	H249 H260 E265	H249-I263 VanDerWaalsContact ND1-CG2 3.25Å; H249-I263 WeakPolarHBondContact ND1-CG2 3.41Å; H260-I263 PolarHBondContact N-O 2.67Å; H260-I263 WeakPolarHBondContact O-CB 3.39Å; H260-I263 PolarHBondContact O-N 3.24Å; I263-E265 HydrophobicContact CG2-CG 3.84Å; I263-E265 WeakPolarHBondContact CG2-OE1 3.44Å
264	C	94.7	Very high	89.9	Confident	7 Å²	7	52.7 Å²	52.7	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.1	177.9	-60.7	0	0	0	0	112.2	Q239 H249 C252 C255 F258	Q239-C264 HydrophobicContact CB-CB 3.86Å; Q239-C264 WeakPolarHBondContact CB-O 3.23Å; H249-C264 PolarHBondContact O-N 3.39Å; C252-C264 VanDerWaalsContact CB-SG 3.51Å; C255-C264 WeakPolarHBondContact CA-SG 3.45Å; C255-C264 HydrophobicContact CB-CB 3.59Å; C255-C264 WeakPolarHBondContact CB-SG 3.18Å; C255-C264 WeakPolarHBondContact SG-CA 3.44Å; C255-C264 WeakPolarHBondContact SG-CB 3.48Å; C255-C264 CovalentContact SG-SG 2.03Å; C255-C264 PolarHBondContact SG-SG 3.16Å; F258-C264 WeakPolarHBondContact O-CA 3.27Å
265	E	91.2	Very high	89.2	Confident	52 Å²	52	53.9 Å²	53.9	24%	0.243	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.8	-177.5	-75.3	167.2	-157.9	0	0	111.5	H257 F258 H260 I263	H257-E265 WeakPolarHBondContact CB-O 3.3Å; F258-E265 PolarHBondContact N-O 2.8Å; F258-E265 PolarHBondContact O-N 2.75Å; H260-E265 HydrophobicContact CB-CG 4.47Å; H260-E265 IonicContact CE1-OE1 3.38Å; H260-E265 IonicContact CG-OE1 2.78Å; H260-E265 IonicContact CG-OE2 3.55Å; H260-E265 VanDerWaalsContact ND1-CD 3.32Å; H260-E265 IonicContact ND1-OE1 2.73Å; H260-E265 PolarHBondContact ND1-OE1 3.41Å; H260-E265 IonicContact ND1-OE2 3.24Å; H260-E265 PolarHBondContact ND1-OE2 2.83Å; H260-E265 VanDerWaalsContact ND1-OE2 3.12Å; I263-E265 HydrophobicContact CG2-CG 3.84Å; I263-E265 WeakPolarHBondContact CG2-OE1 3.44Å
266	L	91	Very high	88.5	Confident	80 Å²	80	57.5 Å²	57.5	42%	0.419	33%	0.326	S	S	.	.	S	Bend	trans	-71.7	-33.1	176	178.1	60.7	0	0	0	112.2	H257 F258	H257-L266 VanDerWaalsContact CE1-CD1 3.49Å; H257-L266 WeakPolarHBondContact CE1-CD1 3.34Å; H257-L266 WeakPolarHBondContact ND1-CD1 3.4Å; F258-L266 WeakPolarHBondContact CD2-O 3.36Å; F258-L266 WeakPolarHBondContact CE2-O 3.24Å
267	H	90.4	Very high	87.6	Confident	124 Å²	124	62.7 Å²	62.7	57%	0.574	35%	0.354	S	S	*	.	S	Bend	trans	-141.1	146.6	179	-57.3	-37.6	0	0	0	108.7
268	C	89.9	Confident	87	Confident	16 Å²	16	62.7 Å²	62.7	11%	0.108	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-70.2	154.1	169.1	-63.2	0	0	0	0	111.4	A270 R288 T290 C295	C268-A270 PolarHBondContact O-N 3.01Å; C268-R288 HydrophobicContact CB-CB 4.32Å; C268-T290 HydrophobicContact CB-CG2 3.95Å; C268-T290 VanDerWaalsContact SG-CG2 3.56Å; C268-C295 WeakPolarHBondContact CA-SG 3.36Å; C268-C295 HydrophobicContact CB-CB 3.78Å; C268-C295 WeakPolarHBondContact CB-SG 3.24Å; C268-C295 WeakPolarHBondContact SG-CA 3.44Å; C268-C295 WeakPolarHBondContact SG-CB 3.44Å; C268-C295 CovalentContact SG-SG 2.03Å; C268-C295 PolarHBondContact SG-SG 3.24Å
269	P	90	Very high	86.1	Confident	29 Å²	29	66.2 Å²	66.2	19%	0.188	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-55.1	124.7	174.6	-26.6	33.8	0	0	0	112.4	H260 E286 G287 R288	H260-P269 VanDerWaalsContact CE1-CG 3.42Å; H260-P269 WeakPolarHBondContact CE1-CG 3.49Å; P269-E286 VanDerWaalsContact CB-O 3.23Å; P269-E286 WeakPolarHBondContact CB-O 3.38Å; P269-G287 WeakPolarHBondContact O-CA 3.47Å; P269-R288 HydrophobicContact CB-CG 4.49Å; P269-R288 HydrophobicContact CG-CG 4.2Å; P269-R288 PolarHBondContact O-N 3.26Å
270	A	88.4	Confident	85.3	Confident	62 Å²	62	69.6 Å²	69.6	51%	0.512	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-61.3	145.2	-177.2	0	0	0	0	0	112.5	C268 V272 N284 G287	C268-A270 PolarHBondContact O-N 3.01Å; A270-V272 PolarHBondContact O-N 3.32Å; A270-N284 VanDerWaalsContact O-CB 3.3Å; A270-N284 WeakPolarHBondContact O-CB 3.5Å; A270-N284 PolarHBondContact O-ND2 2.95Å; A270-G287 WeakPolarHBondContact O-CA 3.43Å
271	L	87.2	Confident	84.5	Confident	38 Å²	38	72.2 Å²	72.2	20%	0.199	41%	0.41	C	S	.	.	S	Bend	trans	-66.8	-19.2	179.2	-60.7	-174.4	0	0	0	114	N284 Y289	L271-N284 PolarHBondContact O-N 2.7Å; L271-Y289 HydrophobicContact CD1-CD1 4.16Å; L271-Y289 HydrophobicContact CD1-CE1 3.56Å; L271-Y289 HydrophobicContact CD2-CD2 4.2Å; L271-Y289 HydrophobicContact CD2-CE1 4.36Å; L271-Y289 HydrophobicContact CD2-CE2 3.99Å; L271-Y289 HydrophobicContact CD2-CG 4.47Å
272	V	83.3	Confident	84	Confident	85 Å²	85	70.8 Å²	70.8	52%	0.515	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.6	175.3	-67.3	0	0	0	0	110.2	A270 M282	A270-V272 PolarHBondContact O-N 3.32Å; V272-M282 CarbonylContact C-O 3.6Å; V272-M282 VanDerWaalsContact CA-O 3.28Å; V272-M282 WeakPolarHBondContact CA-O 3.27Å
273	T	82.8	Confident	83.8	Confident	63 Å²	63	74.1 Å²	74.1	39%	0.387	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.4	173.5	-173.7	0	0	0	0	109.5	M282 N284	T273-M282 PolarHBondContact N-O 3.37Å; T273-M282 PolarHBondContact O-N 3.25Å; T273-N284 HydrophobicContact CG2-CB 4.19Å
274	Y	76.2	Confident	83.4	Confident	109 Å²	109	73.1 Å²	73.1	43%	0.427	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121	-179.2	-171.1	-101.5	0	0	0	110.4	T276 F279 V1191	Y274-T276 PolarHBondContact O-N 3.31Å; Y274-F279 VanDerWaalsContact CE2-O 3.23Å; Y274-F279 WeakPolarHBondContact CE2-O 3.22Å; Y274-F279 VanDerWaalsContact OH-CA 3.25Å; Y274-F279 WeakPolarHBondContact OH-CA 3.31Å; Y274-F279 VanDerWaalsContact OH-CB 3.31Å; Y274-F279 WeakPolarHBondContact OH-CB 3.48Å; Y274-F279 WeakPolarHBondContact OH-CD1 3.42Å; Y274-F279 PolarHBondContact OH-O 3.43Å; Y274-F279 VanDerWaalsContact OH-O 3.11Å; Y274-V1191 HydrophobicContact CD1-CG2 4Å; Y274-V1191 HydrophobicContact CE1-CG2 3.63Å
275	N	78.8	Confident	83	Confident	30 Å²	30	78.1 Å²	78.1	16%	0.16	43%	0.434	C	S	.	.			trans	-82.1	115.1	175.5	-169.5	-11.8	0	0	0	110	D277 T278 F279 E280 M282	N275-D277 PolarHBondContact O-N 3.4Å; N275-D277 WeakPolarHBondContact OD1-CB 3.45Å; N275-D277 PolarHBondContact OD1-N 2.77Å; N275-T278 PolarHBondContact ND2-OG1 3.41Å; N275-F279 VanDerWaalsContact O-CA 3.28Å; N275-F279 WeakPolarHBondContact O-CA 3.31Å; N275-F279 PolarHBondContact O-N 2.76Å; N275-E280 PolarHBondContact N-O 3.41Å; N275-M282 HydrophobicContact CB-CE 3.86Å; N275-M282 HydrophobicContact CB-CG 4.05Å; N275-M282 HydrophobicContact CB-SD 3.93Å; N275-M282 PolarHBondContact ND2-SD 2.85Å; N275-M282 VanDerWaalsContact ND2-SD 3.35Å
276	T	79.4	Confident	82.9	Confident	81 Å²	81	81.2 Å²	81.2	50%	0.497	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.6	175.8	46.7	0	0	0	0	113.6	Y274	Y274-T276 PolarHBondContact O-N 3.31Å
277	D	75.3	Confident	82.7	Confident	135 Å²	135	77.8 Å²	77.8	72%	0.722	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-28.7	-169	-57	5.2	0	0	0	111.7	N275	N275-D277 PolarHBondContact O-N 3.4Å; N275-D277 WeakPolarHBondContact OD1-CB 3.45Å; N275-D277 PolarHBondContact OD1-N 2.77Å
278	T	81.1	Confident	82.8	Confident	68 Å²	68	73.8 Å²	73.8	42%	0.417	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-11.1	175	70.6	0	0	0	0	114	N275 E280	N275-T278 PolarHBondContact ND2-OG1 3.41Å; T278-E280 PolarHBondContact O-N 3.28Å; T278-E280 PolarHBondContact OG1-OE2 2.88Å
279	F	73.4	Confident	82.9	Confident	114 Å²	114	75.3 Å²	75.3	50%	0.5	42%	0.416	S	S	.	.			trans	63.3	17.9	-174.5	-58.1	-92	0	0	0	114.6	Y274 N275	Y274-F279 VanDerWaalsContact CE2-O 3.23Å; Y274-F279 WeakPolarHBondContact CE2-O 3.22Å; Y274-F279 VanDerWaalsContact OH-CA 3.25Å; Y274-F279 WeakPolarHBondContact OH-CA 3.31Å; Y274-F279 VanDerWaalsContact OH-CB 3.31Å; Y274-F279 WeakPolarHBondContact OH-CB 3.48Å; Y274-F279 WeakPolarHBondContact OH-CD1 3.42Å; Y274-F279 PolarHBondContact OH-O 3.43Å; Y274-F279 VanDerWaalsContact OH-O 3.11Å; N275-F279 VanDerWaalsContact O-CA 3.28Å; N275-F279 WeakPolarHBondContact O-CA 3.31Å; N275-F279 PolarHBondContact O-N 2.76Å
280	E	74.6	Confident	83	Confident	124 Å²	124	75.6 Å²	75.6	58%	0.579	42%	0.418	S	S	*	.	S	Bend	trans	-108.6	154.9	-177.5	-64	169.1	139.8	0	0	112.8	N275 T278	N275-E280 PolarHBondContact N-O 3.41Å; T278-E280 PolarHBondContact O-N 3.28Å; T278-E280 PolarHBondContact OG1-OE2 2.88Å
281	S	77.2	Confident	83.1	Confident	87 Å²	87	73.3 Å²	73.3	61%	0.608	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.6	169.3	-61.3	0	0	0	0	110.4
282	M	77.2	Confident	83	Confident	78 Å²	78	73.3 Å²	73.3	38%	0.384	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	149.4	176.4	-57.1	-166.3	-49.9	0	0	111	V272 T273 N275 N284	V272-M282 CarbonylContact C-O 3.6Å; V272-M282 VanDerWaalsContact CA-O 3.28Å; V272-M282 WeakPolarHBondContact CA-O 3.27Å; T273-M282 PolarHBondContact N-O 3.37Å; T273-M282 PolarHBondContact O-N 3.25Å; N275-M282 HydrophobicContact CB-CE 3.86Å; N275-M282 HydrophobicContact CB-CG 4.05Å; N275-M282 HydrophobicContact CB-SD 3.93Å; N275-M282 PolarHBondContact ND2-SD 2.85Å; N275-M282 VanDerWaalsContact ND2-SD 3.35Å; M282-N284 PolarHBondContact O-N 3.48Å
283	P	83.8	Confident	83.3	Confident	112 Å²	112	70 Å²	70	73%	0.727	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.9	168.1	-22.9	34	0	0	0	111.1	P285	P283-P285 WeakPolarHBondContact O-CD 3.31Å
284	N	86.5	Confident	83.6	Confident	41 Å²	41	68.2 Å²	68.2	22%	0.219	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-90.2	116.6	178.9	179.3	13.3	0	0	0	110.3	A270 L271 T273 M282 E286 G287	A270-N284 VanDerWaalsContact O-CB 3.3Å; A270-N284 WeakPolarHBondContact O-CB 3.5Å; A270-N284 PolarHBondContact O-ND2 2.95Å; L271-N284 PolarHBondContact O-N 2.7Å; T273-N284 HydrophobicContact CG2-CB 4.19Å; M282-N284 PolarHBondContact O-N 3.48Å; N284-E286 PolarHBondContact O-N 2.02Å; N284-E286 PolarHBondContact OD1-N 3.31Å; N284-G287 PolarHBondContact ND2-N 2.82Å; N284-G287 PolarHBondContact O-N 2.95Å
285	P	86	Confident	84.4	Confident	113 Å²	113	63.6 Å²	63.6	73%	0.734	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.4	175.8	-22.7	34.7	0	0	0	113.5	P283 G287 R288	P283-P285 WeakPolarHBondContact O-CD 3.31Å; P285-G287 VanDerWaalsContact C-N 3.31Å; P285-R288 PolarHBondContact O-NH1 3.26Å
286	E	87.7	Confident	84.9	Confident	116 Å²	116	63.7 Å²	63.7	54%	0.542	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	4	176.2	-57.9	-53.7	155.8	0	0	113.4	P269 N284 R288	P269-E286 VanDerWaalsContact CB-O 3.23Å; P269-E286 WeakPolarHBondContact CB-O 3.38Å; N284-E286 PolarHBondContact O-N 2.02Å; N284-E286 PolarHBondContact OD1-N 3.31Å; E286-R288 PolarHBondContact O-NH1 2.86Å; E286-R288 IonicContact OE2-CZ 3.22Å; E286-R288 IonicContact OE2-NH1 2.74Å; E286-R288 IonicContact OE2-NH2 3.41Å; E286-R288 PolarHBondContact OE2-NH2 2.89Å
287	G	87.4	Confident	85.4	Confident	8 Å²	8	64.9 Å²	64.9	8%	0.082	37%	0.369	C	S	.	.			trans	-60.9	144.6	175.8	0	0	0	0	0	112.6	P269 A270 N284 P285	P269-G287 WeakPolarHBondContact O-CA 3.47Å; A270-G287 WeakPolarHBondContact O-CA 3.43Å; N284-G287 PolarHBondContact ND2-N 2.82Å; N284-G287 PolarHBondContact O-N 2.95Å; P285-G287 VanDerWaalsContact C-N 3.31Å
288	R	92.5	Very high	86.1	Confident	41 Å²	41	61.5 Å²	61.5	16%	0.155	36%	0.36	C	S	.	.			trans	-137.4	149.8	179.8	-53.3	-64.5	174.8	-108.3	-3.3	110.4	C268 P269 P285 E286 C295 V296	C268-R288 HydrophobicContact CB-CB 4.32Å; P269-R288 HydrophobicContact CB-CG 4.49Å; P269-R288 HydrophobicContact CG-CG 4.2Å; P269-R288 PolarHBondContact O-N 3.26Å; P285-R288 PolarHBondContact O-NH1 3.26Å; E286-R288 PolarHBondContact O-NH1 2.86Å; E286-R288 IonicContact OE2-CZ 3.22Å; E286-R288 IonicContact OE2-NH1 2.74Å; E286-R288 IonicContact OE2-NH2 3.41Å; E286-R288 PolarHBondContact OE2-NH2 2.89Å; R288-C295 HydrophobicContact CB-CB 3.87Å; R288-C295 HydrophobicContact CG-CB 4.25Å; R288-V296 CarbonylContact C-O 3.52Å; R288-V296 WeakPolarHBondContact CA-O 3.27Å; R288-V296 WeakPolarHBondContact CB-O 3.43Å
289	Y	92.3	Very high	86.5	Confident	47 Å²	47	59.2 Å²	59.2	18%	0.184	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.7	170.7	-60.1	-98.5	0	0	0	110.5	L271 C295 V296 G309 C311	L271-Y289 HydrophobicContact CD1-CD1 4.16Å; L271-Y289 HydrophobicContact CD1-CE1 3.56Å; L271-Y289 HydrophobicContact CD2-CD2 4.2Å; L271-Y289 HydrophobicContact CD2-CE1 4.36Å; L271-Y289 HydrophobicContact CD2-CE2 3.99Å; L271-Y289 HydrophobicContact CD2-CG 4.47Å; Y289-C295 WeakPolarHBondContact O-CA 3.5Å; Y289-V296 PolarHBondContact N-O 2.85Å; Y289-V296 PolarHBondContact O-N 3.34Å; Y289-G309 CarbonylContact C-O 3.53Å; Y289-G309 WeakPolarHBondContact CA-O 3.48Å; Y289-C311 VanDerWaalsContact CB-SG 3.52Å
290	T	92.3	Very high	87.1	Confident	36 Å²	36	56 Å²	56	22%	0.221	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.7	169	49.2	0	0	0	0	110.3	F258 C268 G309 S310 C311	F258-T290 HydrophobicContact CD1-CG2 4.09Å; F258-T290 HydrophobicContact CE1-CG2 3.6Å; F258-T290 HydrophobicContact CE2-CG2 4.3Å; F258-T290 HydrophobicContact CZ-CG2 3.72Å; C268-T290 HydrophobicContact CB-CG2 3.95Å; C268-T290 VanDerWaalsContact SG-CG2 3.56Å; T290-G309 PolarHBondContact N-O 3.38Å; T290-G309 PolarHBondContact OG1-O 3.11Å; T290-S310 VanDerWaalsContact OG1-CA 3.28Å; T290-S310 WeakPolarHBondContact OG1-CA 3.44Å; T290-S310 VanDerWaalsContact OG1-CB 3.25Å; T290-S310 WeakPolarHBondContact OG1-CB 3.49Å; T290-C311 PolarHBondContact O-N 3.01Å
291	F	89.5	Confident	87.7	Confident	14 Å²	14	55.2 Å²	55.2	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	95.6	178.4	177.4	-120.2	0	0	0	110.2	V25 Q57 A293 S294 V296 P300 Y303 C311	V25-F291 HydrophobicContact CG1-CE1 4.23Å; V25-F291 HydrophobicContact CG1-CZ 4.28Å; V25-F291 HydrophobicContact CG2-CE1 4.23Å; Q57-F291 VanDerWaalsContact CD-CZ 3.43Å; Q57-F291 VanDerWaalsContact OE1-CE2 3.22Å; F291-A293 PolarHBondContact O-N 3.06Å; F291-S294 PolarHBondContact N-O 2.74Å; F291-S294 PolarHBondContact O-N 3.23Å; F291-S294 VanDerWaalsContact O-N 3.1Å; F291-S294 PolarHBondContact O-OG 3.02Å; F291-V296 HydrophobicContact CB-CG1 4.11Å; F291-V296 HydrophobicContact CB-CG2 3.78Å; F291-V296 HydrophobicContact CD1-CG1 4.2Å; F291-P300 HydrophobicContact CD1-CG 4.05Å; F291-P300 HydrophobicContact CD2-CG 4.14Å; F291-P300 HydrophobicContact CE1-CG 3.73Å; F291-P300 HydrophobicContact CE2-CG 3.83Å; F291-P300 HydrophobicContact CG-CG 4.25Å; F291-P300 HydrophobicContact CZ-CB 4.43Å; F291-P300 HydrophobicContact CZ-CG 3.61Å; F291-Y303 HydrophobicContact CE2-CD1 4.23Å; F291-Y303 HydrophobicContact CE2-CD2 4.15Å; F291-Y303 AromaticContact CE2-CE1 3.91Å; F291-Y303 HydrophobicContact CE2-CE1 3.91Å; F291-Y303 AromaticContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CG 4.35Å; F291-Y303 AromaticContact CE2-CZ 3.71Å; F291-Y303 HydrophobicContact CZ-CE2 4.34Å; F291-C311 HydrophobicContact CB-CB 4.36Å; F291-C311 HydrophobicContact CD2-CB 3.97Å
292	G	85.9	Confident	88.1	Confident	38 Å²	38	51.7 Å²	51.7	39%	0.392	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-100.6	-173.2	0	0	0	0	0	111.7
293	A	89.1	Confident	88.6	Confident	14 Å²	14	50.5 Å²	50.5	12%	0.116	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	23.6	178.2	0	0	0	0	0	112.9	F258 N259 F291	F258-A293 CarbonylContact C-O 3.31Å; F258-A293 WeakPolarHBondContact CA-O 3.45Å; N259-A293 PolarHBondContact N-O 3.24Å; F291-A293 PolarHBondContact O-N 3.06Å
294	S	90.2	Very high	89	Confident	26 Å²	26	45.2 Å²	45.2	18%	0.182	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163.1	175.4	64.4	0	0	0	0	113.2	N259 F291	N259-S294 WeakPolarHBondContact O-CA 3.3Å; F291-S294 PolarHBondContact N-O 2.74Å; F291-S294 PolarHBondContact O-N 3.23Å; F291-S294 VanDerWaalsContact O-N 3.1Å; F291-S294 PolarHBondContact O-OG 3.02Å
295	C	92	Very high	89.3	Confident	12 Å²	12	43.6 Å²	43.6	8%	0.081	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.9	175.4	-53.4	0	0	0	0	110.1	N259 H260 C268 R288 Y289	N259-C295 PolarHBondContact O-N 3.47Å; H260-C295 HydrophobicContact CB-CB 4.09Å; C268-C295 WeakPolarHBondContact CA-SG 3.36Å; C268-C295 HydrophobicContact CB-CB 3.78Å; C268-C295 WeakPolarHBondContact CB-SG 3.24Å; C268-C295 WeakPolarHBondContact SG-CA 3.44Å; C268-C295 WeakPolarHBondContact SG-CB 3.44Å; C268-C295 CovalentContact SG-SG 2.03Å; C268-C295 PolarHBondContact SG-SG 3.24Å; R288-C295 HydrophobicContact CB-CB 3.87Å; R288-C295 HydrophobicContact CG-CB 4.25Å; Y289-C295 WeakPolarHBondContact O-CA 3.5Å
296	V	90.6	Very high	89.5	Confident	32 Å²	32	38.5 Å²	38.5	19%	0.194	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.9	-176.3	-62.8	0	0	0	0	111.7	R288 Y289 F291 A298	R288-V296 CarbonylContact C-O 3.52Å; R288-V296 WeakPolarHBondContact CA-O 3.27Å; R288-V296 WeakPolarHBondContact CB-O 3.43Å; Y289-V296 PolarHBondContact N-O 2.85Å; Y289-V296 PolarHBondContact O-N 3.34Å; F291-V296 HydrophobicContact CB-CG1 4.11Å; F291-V296 HydrophobicContact CB-CG2 3.78Å; F291-V296 HydrophobicContact CD1-CG1 4.2Å; V296-A298 VanDerWaalsContact CG2-O 3.23Å; V296-A298 WeakPolarHBondContact CG2-O 3.33Å
297	T	89.9	Confident	89.3	Confident	107 Å²	107	37.5 Å²	37.5	66%	0.656	22%	0.218	S	C	*	.	S	Bend	trans	-71.5	-30.9	179.5	45.8	0	0	0	0	113.1
298	A	89.7	Confident	89.2	Confident	63 Å²	63	40.5 Å²	40.5	52%	0.521	24%	0.235	S	C	.	.	S	Bend	trans	-142.5	151.4	171.7	0	0	0	0	0	109.1	V296	V296-A298 VanDerWaalsContact CG2-O 3.23Å; V296-A298 WeakPolarHBondContact CG2-O 3.33Å
299	C	89.6	Confident	88.9	Confident	20 Å²	20	38.9 Å²	38.9	14%	0.135	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-65.4	141.1	174.4	-67.3	0	0	0	0	111.2	S305 C311	C299-S305 PolarHBondContact SG-OG 2.95Å; C299-C311 WeakPolarHBondContact CA-SG 3.23Å; C299-C311 HydrophobicContact CB-CB 3.76Å; C299-C311 WeakPolarHBondContact CB-SG 3.24Å; C299-C311 WeakPolarHBondContact SG-CA 3.24Å; C299-C311 WeakPolarHBondContact SG-CB 3.31Å; C299-C311 CovalentContact SG-SG 2.04Å; C299-C311 PolarHBondContact SG-SG 3.41Å
300	P	85.8	Confident	88.9	Confident	47 Å²	47	38.2 Å²	38.2	31%	0.305	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-59.6	156.1	175.7	-27	38	0	0	0	112.3	F291 Y303	F291-P300 HydrophobicContact CD1-CG 4.05Å; F291-P300 HydrophobicContact CD2-CG 4.14Å; F291-P300 HydrophobicContact CE1-CG 3.73Å; F291-P300 HydrophobicContact CE2-CG 3.83Å; F291-P300 HydrophobicContact CG-CG 4.25Å; F291-P300 HydrophobicContact CZ-CB 4.43Å; F291-P300 HydrophobicContact CZ-CG 3.61Å; P300-Y303 HydrophobicContact CB-CD2 4.24Å; P300-Y303 WeakPolarHBondContact O-CB 3.47Å; P300-Y303 PolarHBondContact O-N 3.02Å; P300-Y303 VanDerWaalsContact O-N 3.12Å
301	Y	86.3	Confident	88.8	Confident	108 Å²	108	37.3 Å²	37.3	42%	0.424	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	143.8	176.1	174.1	-93.1	0	0	0	111.7	Y303 E460 G462 R487	Y301-Y303 PolarHBondContact O-N 2.99Å; Y301-E460 PolarHBondContact OH-OE1 3.4Å; Y301-E460 PolarHBondContact OH-OE2 3.4Å; Y301-G462 WeakPolarHBondContact CE1-O 3.49Å; Y301-R487 HydrophobicContact CD1-CB 3.89Å; Y301-R487 HydrophobicContact CD1-CG 4.48Å; Y301-R487 HydrophobicContact CE1-CB 3.42Å; Y301-R487 VanDerWaalsContact CE1-CB 3.42Å; Y301-R487 HydrophobicContact CE1-CG 3.59Å
302	N	86.5	Confident	88.8	Confident	13 Å²	13	38.6 Å²	38.6	7%	0.07	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	-6.4	-175.4	-158.5	45.7	0	0	0	116.6	R432 R434	N302-R432 PolarHBondContact ND2-O 2.7Å; N302-R432 WeakPolarHBondContact OD1-CB 3.35Å; N302-R432 WeakPolarHBondContact OD1-CD 3.15Å; N302-R432 PolarHBondContact OD1-O 2.58Å; N302-R434 WeakPolarHBondContact O-CD 3.26Å; N302-R434 PolarHBondContact O-NE 3.38Å
303	Y	88.2	Confident	88.7	Confident	53 Å²	53	39.6 Å²	39.6	21%	0.208	23%	0.233	C	C	.	.	S	Bend	trans	-87.4	156.1	164.4	-73.3	-100.9	0	0	0	111.3	Q57 F291 P300 Y301 C311 L313	Q57-Y303 PolarHBondContact OE1-OH 3.36Å; F291-Y303 HydrophobicContact CE2-CD1 4.23Å; F291-Y303 HydrophobicContact CE2-CD2 4.15Å; F291-Y303 AromaticContact CE2-CE1 3.91Å; F291-Y303 HydrophobicContact CE2-CE1 3.91Å; F291-Y303 AromaticContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CE2 3.83Å; F291-Y303 HydrophobicContact CE2-CG 4.35Å; F291-Y303 AromaticContact CE2-CZ 3.71Å; F291-Y303 HydrophobicContact CZ-CE2 4.34Å; P300-Y303 HydrophobicContact CB-CD2 4.24Å; P300-Y303 WeakPolarHBondContact O-CB 3.47Å; P300-Y303 PolarHBondContact O-N 3.02Å; P300-Y303 VanDerWaalsContact O-N 3.12Å; Y301-Y303 PolarHBondContact O-N 2.99Å; Y303-C311 HydrophobicContact CD1-CB 4.37Å; Y303-L313 HydrophobicContact CD1-CD2 3.78Å; Y303-L313 HydrophobicContact CD1-CG 4.1Å; Y303-L313 HydrophobicContact CE1-CD1 4.35Å; Y303-L313 HydrophobicContact CE1-CD2 3.49Å; Y303-L313 VanDerWaalsContact CE1-CD2 3.49Å; Y303-L313 HydrophobicContact CE1-CG 3.71Å; Y303-L313 HydrophobicContact CE2-CD2 4.3Å; Y303-L313 HydrophobicContact CG-CD2 4.29Å
304	L	91.4	Very high	88.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.7	178.3	-55	171.6	0	0	0	110	C311 T312 E321 Q329	L304-C311 WeakPolarHBondContact O-CA 2.96Å; L304-T312 HydrophobicContact CB-CG2 3.88Å; L304-T312 WeakPolarHBondContact CB-O 3.13Å; L304-T312 HydrophobicContact CD1-CG2 4.35Å; L304-T312 PolarHBondContact N-O 2.75Å; L304-T312 PolarHBondContact O-N 3.46Å; L304-E321 HydrophobicContact CD1-CG 3.9Å; L304-E321 HydrophobicContact CD2-CG 3.98Å; L304-Q329 WeakPolarHBondContact CA-O 3.38Å; L304-Q329 HydrophobicContact CD2-CB 3.47Å; L304-Q329 VanDerWaalsContact CD2-CB 3.47Å
305	S	91.9	Very high	88.4	Confident	8 Å²	8	41.6 Å²	41.6	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	129.3	170.9	-58.5	0	0	0	0	111.3	C299 Q329 R330 C331	C299-S305 PolarHBondContact SG-OG 2.95Å; S305-Q329 PolarHBondContact N-O 3.27Å; S305-Q329 VanDerWaalsContact N-O 3.07Å; S305-R330 CarbonylContact O-C 3.45Å; S305-R330 VanDerWaalsContact O-CA 3.32Å; S305-R330 WeakPolarHBondContact O-CA 3.34Å; S305-C331 PolarHBondContact O-N 2.8Å
306	T	90.6	Very high	88	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	151.3	173.4	67.8	0	0	0	0	112.3	V308 G309 S310 T312 P316 C331	T306-V308 PolarHBondContact O-N 3Å; T306-V308 VanDerWaalsContact O-N 3.09Å; T306-V308 VanDerWaalsContact OG1-CG2 3.22Å; T306-V308 WeakPolarHBondContact OG1-CG2 3.03Å; T306-G309 PolarHBondContact O-N 3.04Å; T306-S310 PolarHBondContact N-O 3.25Å; T306-S310 PolarHBondContact OG1-N 3.08Å; T306-S310 PolarHBondContact OG1-O 2.98Å; T306-S310 PolarHBondContact OG1-OG 2.78Å; T306-T312 HydrophobicContact CG2-CG2 3.58Å; T306-P316 HydrophobicContact CG2-CG 4.26Å; T306-C331 HydrophobicContact CG2-CB 4.25Å
307	D	84.7	Confident	87.5	Confident	94 Å²	94	46.6 Å²	46.6	50%	0.503	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-28.9	173.7	-58.7	-23.5	0	0	0	113.3	G309	D307-G309 VanDerWaalsContact C-N 3.26Å; D307-G309 PolarHBondContact O-N 3.49Å
308	V	83.9	Confident	87	Confident	72 Å²	72	46.6 Å²	46.6	44%	0.436	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	7	-177.9	-59	0	0	0	0	113.8	T306 L700	T306-V308 PolarHBondContact O-N 3Å; T306-V308 VanDerWaalsContact O-N 3.09Å; T306-V308 VanDerWaalsContact OG1-CG2 3.22Å; T306-V308 WeakPolarHBondContact OG1-CG2 3.03Å; V308-L700 HydrophobicContact CB-CD2 3.9Å; V308-L700 HydrophobicContact CB-CG 4.39Å; V308-L700 HydrophobicContact CG1-CD1 4.22Å; V308-L700 HydrophobicContact CG1-CD2 4.02Å; V308-L700 HydrophobicContact CG1-CG 3.99Å; V308-L700 HydrophobicContact CG2-CD2 3.84Å
309	G	87.1	Confident	86.8	Confident	7 Å²	7	44.5 Å²	44.5	7%	0.072	24%	0.242	C	C	.	.	S	Bend	trans	76.8	42	177.6	0	0	0	0	0	113.7	Y289 T290 T306 D307	Y289-G309 CarbonylContact C-O 3.53Å; Y289-G309 WeakPolarHBondContact CA-O 3.48Å; T290-G309 PolarHBondContact N-O 3.38Å; T290-G309 PolarHBondContact OG1-O 3.11Å; T306-G309 PolarHBondContact O-N 3.04Å; D307-G309 VanDerWaalsContact C-N 3.26Å; D307-G309 PolarHBondContact O-N 3.49Å
310	S	91.4	Very high	86.8	Confident	33 Å²	33	47.5 Å²	47.5	23%	0.231	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-129.9	153.2	172.6	74.5	0	0	0	0	113.6	T290 T306	T290-S310 VanDerWaalsContact OG1-CA 3.28Å; T290-S310 WeakPolarHBondContact OG1-CA 3.44Å; T290-S310 VanDerWaalsContact OG1-CB 3.25Å; T290-S310 WeakPolarHBondContact OG1-CB 3.49Å; T306-S310 PolarHBondContact N-O 3.25Å; T306-S310 PolarHBondContact OG1-N 3.08Å; T306-S310 PolarHBondContact OG1-O 2.98Å; T306-S310 PolarHBondContact OG1-OG 2.78Å
311	C	91.2	Very high	87	Confident	17 Å²	17	46.9 Å²	46.9	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.4	172.8	-55.4	0	0	0	0	109.6	Y289 T290 F291 C299 Y303 L304	Y289-C311 VanDerWaalsContact CB-SG 3.52Å; T290-C311 PolarHBondContact O-N 3.01Å; F291-C311 HydrophobicContact CB-CB 4.36Å; F291-C311 HydrophobicContact CD2-CB 3.97Å; C299-C311 WeakPolarHBondContact CA-SG 3.23Å; C299-C311 HydrophobicContact CB-CB 3.76Å; C299-C311 WeakPolarHBondContact CB-SG 3.24Å; C299-C311 WeakPolarHBondContact SG-CA 3.24Å; C299-C311 WeakPolarHBondContact SG-CB 3.31Å; C299-C311 CovalentContact SG-SG 2.04Å; C299-C311 PolarHBondContact SG-SG 3.41Å; Y303-C311 HydrophobicContact CD1-CB 4.37Å; L304-C311 WeakPolarHBondContact O-CA 2.96Å
312	T	88.2	Confident	87.1	Confident	41 Å²	41	43.1 Å²	43.1	25%	0.252	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	162.2	-175.5	-174.8	0	0	0	0	112.2	L304 T306 V314	L304-T312 HydrophobicContact CB-CG2 3.88Å; L304-T312 WeakPolarHBondContact CB-O 3.13Å; L304-T312 HydrophobicContact CD1-CG2 4.35Å; L304-T312 PolarHBondContact N-O 2.75Å; L304-T312 PolarHBondContact O-N 3.46Å; T306-T312 HydrophobicContact CG2-CG2 3.58Å; T312-V314 WeakPolarHBondContact CG2-O 3.39Å; T312-V314 PolarHBondContact OG1-N 3.02Å; T312-V314 PolarHBondContact OG1-O 3.45Å
313	L	85.4	Confident	87.2	Confident	59 Å²	59	46.7 Å²	46.7	31%	0.309	26%	0.258	S	S	.	.	S	Bend	trans	-92.6	-21.5	173.4	-66.5	168.9	0	0	0	112.2	Y303 R434	Y303-L313 HydrophobicContact CD1-CD2 3.78Å; Y303-L313 HydrophobicContact CD1-CG 4.1Å; Y303-L313 HydrophobicContact CE1-CD1 4.35Å; Y303-L313 HydrophobicContact CE1-CD2 3.49Å; Y303-L313 VanDerWaalsContact CE1-CD2 3.49Å; Y303-L313 HydrophobicContact CE1-CG 3.71Å; Y303-L313 HydrophobicContact CE2-CD2 4.3Å; Y303-L313 HydrophobicContact CG-CD2 4.29Å; L313-R434 HydrophobicContact CB-CB 4.25Å; L313-R434 HydrophobicContact CD2-CB 3.92Å; L313-R434 HydrophobicContact CD2-CG 4.07Å; L313-R434 WeakPolarHBondContact O-CD 3.17Å; L313-R434 PolarHBondContact O-NH1 3.47Å
314	V	86.1	Confident	86.7	Confident	61 Å²	61	45.7 Å²	45.7	37%	0.37	26%	0.26	S	S	.	.	S	Bend	trans	-137.6	138.1	178.5	-175.1	0	0	0	0	108.4	T312 M347	T312-V314 WeakPolarHBondContact CG2-O 3.39Å; T312-V314 PolarHBondContact OG1-N 3.02Å; T312-V314 PolarHBondContact OG1-O 3.45Å; V314-M347 HydrophobicContact CG1-CE 4.11Å; V314-M347 HydrophobicContact CG2-CE 4.28Å
315	C	87	Confident	86.1	Confident	21 Å²	21	55.9 Å²	55.9	14%	0.142	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-63.6	153.3	178.4	-70.3	0	0	0	0	113	N319 E321 C331	C315-N319 HydrophobicContact CB-CB 4.01Å; C315-E321 VanDerWaalsContact SG-CG 3.51Å; C315-C331 WeakPolarHBondContact CA-SG 3.28Å; C315-C331 HydrophobicContact CB-CB 3.77Å; C315-C331 WeakPolarHBondContact CB-SG 3.29Å; C315-C331 WeakPolarHBondContact SG-CA 3.49Å; C315-C331 WeakPolarHBondContact SG-CB 3.47Å; C315-C331 CovalentContact SG-SG 2.04Å; C315-C331 PolarHBondContact SG-SG 2.82Å
316	P	83.2	Confident	85.5	Confident	37 Å²	37	60.5 Å²	60.5	24%	0.24	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-55	156	167.5	-23.3	33.9	0	0	0	112.3	T306 H318 N319 P699	T306-P316 HydrophobicContact CG2-CG 4.26Å; P316-H318 PolarHBondContact O-N 2.86Å; P316-N319 PolarHBondContact O-N 2.73Å; P316-N319 VanDerWaalsContact O-N 3.08Å; P316-P699 HydrophobicContact CB-CG 4.48Å
317	L	78.9	Confident	85.1	Confident	111 Å²	111	62.5 Å²	62.5	58%	0.581	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.6	175.9	-173.9	69.3	0	0	0	110.5	N319	L317-N319 VanDerWaalsContact C-N 3.29Å; L317-N319 PolarHBondContact O-N 2.79Å
318	H	80.2	Confident	85.1	Confident	107 Å²	107	60.4 Å²	60.4	50%	0.495	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	16.3	-172.1	18.2	63.6	0	0	0	118.9	P316 C334 C338 E698	P316-H318 PolarHBondContact O-N 2.86Å; H318-C334 WeakPolarHBondContact O-CB 3.15Å; H318-C334 PolarHBondContact O-N 3.34Å; H318-C334 VanDerWaalsContact O-N 3.09Å; H318-C334 PolarHBondContact O-SG 2.9Å; H318-C338 VanDerWaalsContact C-SG 3.6Å; H318-C338 VanDerWaalsContact CA-SG 3.55Å; H318-C338 PolarHBondContact O-SG 3.41Å; H318-E698 VanDerWaalsContact CA-OE1 3.3Å; H318-E698 WeakPolarHBondContact CA-OE1 3.37Å; H318-E698 WeakPolarHBondContact CB-OE1 3.31Å; H318-E698 IonicContact CE1-OE1 2.73Å; H318-E698 IonicContact CG-OE1 3.71Å; H318-E698 VanDerWaalsContact CG-OE1 3.26Å; H318-E698 IonicContact ND1-OE1 3.63Å; H318-E698 PolarHBondContact ND1-OE1 3.43Å
319	N	86.1	Confident	85.3	Confident	19 Å²	19	57.5 Å²	57.5	10%	0.102	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	158.5	149.9	-69.8	65.8	0	0	0	111.3	C315 P316 L317 C331 E332 K333	C315-N319 HydrophobicContact CB-CB 4.01Å; P316-N319 PolarHBondContact O-N 2.73Å; P316-N319 VanDerWaalsContact O-N 3.08Å; L317-N319 VanDerWaalsContact C-N 3.29Å; L317-N319 PolarHBondContact O-N 2.79Å; N319-C331 HydrophobicContact CB-CB 4.14Å; N319-C331 PolarHBondContact ND2-O 2.99Å; N319-E332 CarbonylContact C-O 3.57Å; N319-E332 VanDerWaalsContact CA-O 3.23Å; N319-E332 WeakPolarHBondContact CA-O 3.22Å; N319-E332 WeakPolarHBondContact CB-O 3.26Å; N319-K333 PolarHBondContact ND2-N 3.46Å
320	Q	88.7	Confident	85.5	Confident	83 Å²	83	61.8 Å²	61.8	39%	0.388	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.8	172.6	53.4	169.8	32.9	0	0	111.4	V322 C331 E332	Q320-V322 HydrophobicContact CG-CG1 4.27Å; Q320-V322 PolarHBondContact O-N 2.87Å; Q320-C331 WeakPolarHBondContact O-CA 3.41Å; Q320-E332 WeakPolarHBondContact CG-O 3.41Å; Q320-E332 PolarHBondContact N-O 3.47Å; Q320-E332 PolarHBondContact O-N 3.21Å; Q320-E332 VanDerWaalsContact O-N 3.15Å
321	E	90.3	Very high	85.5	Confident	34 Å²	34	60.2 Å²	60.2	16%	0.159	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	113.7	168.9	-76.4	-175.1	-147.1	0	0	110.5	L304 C315 K369 F371 R434	L304-E321 HydrophobicContact CD1-CG 3.9Å; L304-E321 HydrophobicContact CD2-CG 3.98Å; C315-E321 VanDerWaalsContact SG-CG 3.51Å; E321-K369 IonicContact OE2-NZ 3.64Å; E321-K369 PolarHBondContact OE2-NZ 3.15Å; E321-F371 HydrophobicContact CB-CE1 4.41Å; E321-F371 HydrophobicContact CG-CE1 4.13Å; E321-F371 WeakPolarHBondContact OE1-CE1 3.21Å; E321-R434 VanDerWaalsContact CD-NH1 3.33Å; E321-R434 IonicContact OE1-CZ 2.79Å; E321-R434 IonicContact OE1-NH1 3.49Å; E321-R434 PolarHBondContact OE1-NH1 3.42Å; E321-R434 IonicContact OE1-NH2 3.85Å; E321-R434 IonicContact OE2-CZ 3.83Å; E321-R434 IonicContact OE2-NH1 2.63Å; E321-R434 PolarHBondContact OE2-NH1 3.13Å; E321-R434 IonicContact OE2-NH2 2.62Å; E321-R434 PolarHBondContact OE2-NH2 3.03Å
322	V	88.4	Confident	85.4	Confident	30 Å²	30	63.9 Å²	63.9	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	155.4	167	-59.6	0	0	0	0	110.1	Q320 Q329 R330 E332	Q320-V322 HydrophobicContact CG-CG1 4.27Å; Q320-V322 PolarHBondContact O-N 2.87Å; V322-Q329 CarbonylContact O-C 3.58Å; V322-Q329 WeakPolarHBondContact O-CA 3.42Å; V322-R330 HydrophobicContact CG2-CB 3.96Å; V322-R330 WeakPolarHBondContact CG2-O 3.43Å; V322-R330 PolarHBondContact N-O 2.9Å; V322-R330 PolarHBondContact O-N 3.31Å; V322-E332 HydrophobicContact CG1-CB 4.33Å; V322-E332 HydrophobicContact CG1-CG 4.4Å; V322-E332 HydrophobicContact CG2-CB 4.37Å; V322-E332 HydrophobicContact CG2-CG 3.73Å
323	T	87.1	Confident	85.3	Confident	87 Å²	87	65.6 Å²	65.6	53%	0.534	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.8	171.6	-55.6	0	0	0	0	108	Q329	T323-Q329 HydrophobicContact CG2-CG 4.3Å; T323-Q329 PolarHBondContact OG1-NE2 3.42Å
324	A	79.7	Confident	85.3	Confident	32 Å²	32	63.4 Å²	63.4	26%	0.264	34%	0.338	S	S	.	.			trans	-78.1	165.7	178.2	0	0	0	0	0	111.6	D326 G327 T328	A324-D326 WeakPolarHBondContact CB-OD1 3.04Å; A324-D326 PolarHBondContact O-N 3.14Å; A324-D326 VanDerWaalsContact O-N 3.16Å; A324-G327 PolarHBondContact O-N 3.22Å; A324-T328 PolarHBondContact N-O 3.29Å
325	E	78.8	Confident	85.2	Confident	214 Å²	214	64.6 Å²	64.6	100%	1	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.3	178.9	-61.1	-176.9	169.1	0	0	113.3	G327	E325-G327 VanDerWaalsContact C-N 3.28Å
326	D	78.8	Confident	85.1	Confident	106 Å²	106	69.2 Å²	69.2	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.8	173.6	63	25.2	0	0	0	113.9	A324 T328 R330	A324-D326 WeakPolarHBondContact CB-OD1 3.04Å; A324-D326 PolarHBondContact O-N 3.14Å; A324-D326 VanDerWaalsContact O-N 3.16Å; D326-T328 VanDerWaalsContact C-N 3.34Å; D326-T328 VanDerWaalsContact CG-OG1 3.26Å; D326-T328 WeakPolarHBondContact OD1-CA 3.27Å; D326-T328 WeakPolarHBondContact OD1-CB 3.46Å; D326-T328 PolarHBondContact OD1-N 3.1Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; D326-R330 IonicContact OD2-NH2 3.75Å; D326-R330 PolarHBondContact OD2-NH2 2.79Å; D326-R330 VanDerWaalsContact OD2-NH2 3.17Å
327	G	81.5	Confident	85	Confident	47 Å²	47	71.7 Å²	71.7	49%	0.485	38%	0.383	S	S	.	.	S	Bend	trans	85	-4.7	-176.5	0	0	0	0	0	115.1	A324 E325 Q329	A324-G327 PolarHBondContact O-N 3.22Å; E325-G327 VanDerWaalsContact C-N 3.28Å; G327-Q329 PolarHBondContact O-N 3.07Å
328	T	84.5	Confident	85	Confident	51 Å²	51	68.7 Å²	68.7	31%	0.313	37%	0.371	S	S	.	.			trans	-67.5	129.6	176.7	-49.2	0	0	0	0	110.3	A324 D326 R330	A324-T328 PolarHBondContact N-O 3.29Å; D326-T328 VanDerWaalsContact C-N 3.34Å; D326-T328 VanDerWaalsContact CG-OG1 3.26Å; D326-T328 WeakPolarHBondContact OD1-CA 3.27Å; D326-T328 WeakPolarHBondContact OD1-CB 3.46Å; D326-T328 PolarHBondContact OD1-N 3.1Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; T328-R330 HydrophobicContact CG2-CG 4.05Å
329	Q	88.8	Confident	85	Confident	11 Å²	11	67.5 Å²	67.5	5%	0.051	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.4	173.2	-58	-162.4	-57.3	0	0	110.4	L304 S305 V322 T323 G327	L304-Q329 WeakPolarHBondContact CA-O 3.38Å; L304-Q329 HydrophobicContact CD2-CB 3.47Å; L304-Q329 VanDerWaalsContact CD2-CB 3.47Å; S305-Q329 PolarHBondContact N-O 3.27Å; S305-Q329 VanDerWaalsContact N-O 3.07Å; V322-Q329 CarbonylContact O-C 3.58Å; V322-Q329 WeakPolarHBondContact O-CA 3.42Å; T323-Q329 HydrophobicContact CG2-CG 4.3Å; T323-Q329 PolarHBondContact OG1-NE2 3.42Å; G327-Q329 PolarHBondContact O-N 3.07Å
330	R	91.2	Very high	84.5	Confident	96 Å²	96	77.3 Å²	77.3	36%	0.362	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.3	-174.4	-50.1	-172.2	-171.9	169.1	6.6	110.9	S305 V322 D326 T328	S305-R330 CarbonylContact O-C 3.45Å; S305-R330 VanDerWaalsContact O-CA 3.32Å; S305-R330 WeakPolarHBondContact O-CA 3.34Å; V322-R330 HydrophobicContact CG2-CB 3.96Å; V322-R330 WeakPolarHBondContact CG2-O 3.43Å; V322-R330 PolarHBondContact N-O 2.9Å; V322-R330 PolarHBondContact O-N 3.31Å; D326-R330 IonicContact OD2-NH2 3.75Å; D326-R330 PolarHBondContact OD2-NH2 2.79Å; D326-R330 VanDerWaalsContact OD2-NH2 3.17Å; T328-R330 HydrophobicContact CG2-CG 4.05Å
331	C	91.4	Very high	84.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	91.1	179.2	-67.2	0	0	0	0	110.7	S305 T306 C315 N319 Q320	S305-C331 PolarHBondContact O-N 2.8Å; T306-C331 HydrophobicContact CG2-CB 4.25Å; C315-C331 WeakPolarHBondContact CA-SG 3.28Å; C315-C331 HydrophobicContact CB-CB 3.77Å; C315-C331 WeakPolarHBondContact CB-SG 3.29Å; C315-C331 WeakPolarHBondContact SG-CA 3.49Å; C315-C331 WeakPolarHBondContact SG-CB 3.47Å; C315-C331 CovalentContact SG-SG 2.04Å; C315-C331 PolarHBondContact SG-SG 2.82Å; N319-C331 HydrophobicContact CB-CB 4.14Å; N319-C331 PolarHBondContact ND2-O 2.99Å; Q320-C331 WeakPolarHBondContact O-CA 3.41Å
332	E	88.4	Confident	84.4	Confident	95 Å²	95	75.8 Å²	75.8	44%	0.444	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.6	175.6	-72.2	179	-179.3	0	0	111	N319 Q320 V322	N319-E332 CarbonylContact C-O 3.57Å; N319-E332 VanDerWaalsContact CA-O 3.23Å; N319-E332 WeakPolarHBondContact CA-O 3.22Å; N319-E332 WeakPolarHBondContact CB-O 3.26Å; Q320-E332 WeakPolarHBondContact CG-O 3.41Å; Q320-E332 PolarHBondContact N-O 3.47Å; Q320-E332 PolarHBondContact O-N 3.21Å; Q320-E332 VanDerWaalsContact O-N 3.15Å; V322-E332 HydrophobicContact CG1-CB 4.33Å; V322-E332 HydrophobicContact CG1-CG 4.4Å; V322-E332 HydrophobicContact CG2-CB 4.37Å; V322-E332 HydrophobicContact CG2-CG 3.73Å
333	K	87.2	Confident	84.6	Confident	77 Å²	77	77.8 Å²	77.8	34%	0.335	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.3	175.1	-63.5	-174.8	177.2	-170.3	0	111.4	N319 S335 E698	N319-K333 PolarHBondContact ND2-N 3.46Å; K333-S335 PolarHBondContact O-N 2.9Å; K333-S335 VanDerWaalsContact O-N 3.09Å; K333-E698 WeakPolarHBondContact CB-OE2 3.29Å; K333-E698 HydrophobicContact CD-CB 4.08Å; K333-E698 VanDerWaalsContact CD-OE2 3.29Å; K333-E698 WeakPolarHBondContact CD-OE2 3.23Å; K333-E698 VanDerWaalsContact CG-OE2 3.23Å; K333-E698 WeakPolarHBondContact CG-OE2 3.45Å
334	C	85.4	Confident	84.8	Confident	13 Å²	13	73.6 Å²	73.6	9%	0.088	39%	0.394	C	S	.	.			trans	-70.6	108.7	179.6	-61.5	0	0	0	0	110.6	H318 K336 C338	H318-C334 WeakPolarHBondContact O-CB 3.15Å; H318-C334 PolarHBondContact O-N 3.34Å; H318-C334 VanDerWaalsContact O-N 3.09Å; H318-C334 PolarHBondContact O-SG 2.9Å; C334-K336 CarbonylContact C-O 3.46Å; C334-K336 WeakPolarHBondContact CB-O 3.47Å; C334-K336 PolarHBondContact O-N 2.74Å; C334-C338 HydrophobicContact CB-CB 4.01Å; C334-C338 WeakPolarHBondContact CB-SG 3.46Å; C334-C338 VanDerWaalsContact SG-CA 3.57Å; C334-C338 WeakPolarHBondContact SG-CB 3.36Å; C334-C338 CovalentContact SG-SG 2.04Å; C334-C338 PolarHBondContact SG-SG 2.88Å
335	S	84.4	Confident	85.4	Confident	86 Å²	86	72.4 Å²	72.4	60%	0.601	38%	0.383	S	S	*	.	S	Bend	trans	-65.9	14.2	177.4	59.2	0	0	0	0	116.2	K333	K333-S335 PolarHBondContact O-N 2.9Å; K333-S335 VanDerWaalsContact O-N 3.09Å
336	K	83.5	Confident	85.6	Confident	118 Å²	118	64.2 Å²	64.2	51%	0.513	36%	0.356	S	S	.	.	S	Bend	trans	-166.7	163.5	-175.1	-50.7	178.9	-168.6	65.8	0	104.7	C334 C338	C334-K336 CarbonylContact C-O 3.46Å; C334-K336 WeakPolarHBondContact CB-O 3.47Å; C334-K336 PolarHBondContact O-N 2.74Å; K336-C338 PolarHBondContact O-N 3.36Å; K336-C338 VanDerWaalsContact O-N 3.12Å
337	P	81.7	Confident	85.9	Confident	88 Å²	88	60.7 Å²	60.7	57%	0.571	34%	0.336	S	S	*	.	S	Bend	trans	-49.3	125.2	165.4	-27	35.1	0	0	0	110.9	L691	P337-L691 HydrophobicContact CG-CD1 3.52Å; P337-L691 HydrophobicContact CG-CD2 4.04Å; P337-L691 HydrophobicContact CG-CG 4.44Å
338	C	77.9	Confident	86.1	Confident	49 Å²	49	64.1 Å²	64.1	33%	0.331	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-53.2	146.1	-174.6	-59.7	0	0	0	0	111.6	H318 C334 K336 R340	H318-C338 VanDerWaalsContact C-SG 3.6Å; H318-C338 VanDerWaalsContact CA-SG 3.55Å; H318-C338 PolarHBondContact O-SG 3.41Å; C334-C338 HydrophobicContact CB-CB 4.01Å; C334-C338 WeakPolarHBondContact CB-SG 3.46Å; C334-C338 VanDerWaalsContact SG-CA 3.57Å; C334-C338 WeakPolarHBondContact SG-CB 3.36Å; C334-C338 CovalentContact SG-SG 2.04Å; C334-C338 PolarHBondContact SG-SG 2.88Å; K336-C338 PolarHBondContact O-N 3.36Å; K336-C338 VanDerWaalsContact O-N 3.12Å; C338-R340 PolarHBondContact O-N 3.28Å
339	A	80.4	Confident	86.2	Confident	81 Å²	81	67.1 Å²	67.1	67%	0.669	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-58.5	138.5	169.8	0	0	0	0	0	109.6	V341	A339-V341 PolarHBondContact O-N 3.06Å
340	R	77	Confident	86.1	Confident	225 Å²	225	66.8 Å²	66.8	85%	0.849	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-61.6	122.5	172.2	-78.3	-172.7	169.9	-166.5	-5.6	108.6	C338	C338-R340 PolarHBondContact O-N 3.28Å
341	V	85.2	Confident	85.9	Confident	54 Å²	54	70.5 Å²	70.5	33%	0.327	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-94.6	157.5	173.7	-64.1	0	0	0	0	110.2	A339 Y343 F371	A339-V341 PolarHBondContact O-N 3.06Å; V341-Y343 HydrophobicContact CG2-CD1 4.3Å; V341-Y343 HydrophobicContact CG2-CD2 4.42Å; V341-Y343 HydrophobicContact CG2-CE1 3.72Å; V341-Y343 HydrophobicContact CG2-CE2 3.84Å; V341-Y343 VanDerWaalsContact CG2-CZ 3.46Å; V341-F371 HydrophobicContact CB-CD2 3.63Å; V341-F371 HydrophobicContact CB-CE2 3.73Å; V341-F371 HydrophobicContact CB-CG 4.29Å; V341-F371 HydrophobicContact CB-CZ 4.46Å; V341-F371 HydrophobicContact CG1-CD2 3.97Å; V341-F371 HydrophobicContact CG1-CE2 3.55Å; V341-F371 HydrophobicContact CG1-CZ 3.89Å; V341-F371 HydrophobicContact CG2-CD2 4.22Å; V341-F371 HydrophobicContact CG2-CG 4.4Å
342	C	91	Very high	85.4	Confident	32 Å²	32	78.1 Å²	78.1	22%	0.216	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.9	171.8	-54.1	0	0	0	0	109.1	C367 I370 F371	C342-C367 HydrophobicContact CB-CB 3.66Å; C342-C367 WeakPolarHBondContact CB-SG 3.37Å; C342-C367 WeakPolarHBondContact SG-CB 3.34Å; C342-C367 CovalentContact SG-SG 2.02Å; C342-C367 PolarHBondContact SG-SG 3.41Å; C342-I370 HydrophobicContact CB-CD1 3.65Å; C342-F371 PolarHBondContact O-N 3Å
343	Y	92.3	Very high	85.4	Confident	71 Å²	71	76.2 Å²	76.2	28%	0.278	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	144.6	175	-66.6	-69.5	0	0	0	110.8	V341 M347 E348 F364 F371	V341-Y343 HydrophobicContact CG2-CD1 4.3Å; V341-Y343 HydrophobicContact CG2-CD2 4.42Å; V341-Y343 HydrophobicContact CG2-CE1 3.72Å; V341-Y343 HydrophobicContact CG2-CE2 3.84Å; V341-Y343 VanDerWaalsContact CG2-CZ 3.46Å; Y343-M347 HydrophobicContact CD1-CB 3.95Å; Y343-M347 HydrophobicContact CG-CB 4.41Å; Y343-E348 HydrophobicContact CD1-CB 4.43Å; Y343-E348 HydrophobicContact CD1-CG 3.98Å; Y343-E348 HydrophobicContact CD2-CB 4.01Å; Y343-E348 HydrophobicContact CD2-CG 3.99Å; Y343-E348 HydrophobicContact CE1-CG 3.7Å; Y343-E348 HydrophobicContact CE2-CB 4.19Å; Y343-E348 HydrophobicContact CE2-CG 3.73Å; Y343-E348 HydrophobicContact CG-CB 4.14Å; Y343-E348 HydrophobicContact CG-CG 4.11Å; Y343-F364 WeakPolarHBondContact O-CE1 3.45Å; Y343-F371 CarbonylContact C-O 3.56Å; Y343-F371 WeakPolarHBondContact CA-O 3.07Å; Y343-F371 HydrophobicContact CD1-CB 4.12Å; Y343-F371 HydrophobicContact CE1-CB 4.48Å
344	G	92.4	Very high	85.7	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	41%	0.407	C	S	.	.			trans	-96.9	-178.7	170.5	0	0	0	0	0	112	M347 I370 F371 S373	G344-M347 WeakPolarHBondContact O-CB 3.18Å; G344-M347 PolarHBondContact O-N 3.35Å; G344-I370 VanDerWaalsContact CA-CG2 3.47Å; G344-F371 PolarHBondContact N-O 2.99Å; G344-S373 CarbonylContact C-O 3.51Å; G344-S373 WeakPolarHBondContact CA-O 3.36Å
345	L	92.7	Very high	86.1	Confident	6 Å²	6	80.1 Å²	80.1	3%	0.031	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-57.1	140.6	173.6	-53.6	178.9	0	0	0	110.7	L350 V353 V356 S373 A375	L345-L350 HydrophobicContact CD2-CD1 4.44Å; L345-V353 HydrophobicContact CD2-CB 4.24Å; L345-V353 HydrophobicContact CD2-CG1 3.96Å; L345-V356 HydrophobicContact CD1-CG2 4.36Å; L345-S373 WeakPolarHBondContact CB-O 3.45Å; L345-S373 PolarHBondContact N-O 3.19Å; L345-S373 PolarHBondContact O-N 3.19Å; L345-A375 HydrophobicContact CD1-CB 3.58Å; L345-A375 VanDerWaalsContact CD1-N 3.34Å
346	G	82.5	Confident	86.6	Confident	42 Å²	42	76 Å²	76	43%	0.433	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	1.2	-175.3	0	0	0	0	0	115.2	L350	G346-L350 PolarHBondContact N-O 3Å
347	M	85.5	Confident	87.2	Confident	33 Å²	33	71.3 Å²	71.3	16%	0.163	36%	0.356	C	S	.	.	S	Bend	trans	-124.6	141.5	-176.8	-60.8	-68.4	-70.4	0	0	112.5	V314 Y343 G344 H349 L350 R351 F371 I435	V314-M347 HydrophobicContact CG1-CE 4.11Å; V314-M347 HydrophobicContact CG2-CE 4.28Å; Y343-M347 HydrophobicContact CD1-CB 3.95Å; Y343-M347 HydrophobicContact CG-CB 4.41Å; G344-M347 WeakPolarHBondContact O-CB 3.18Å; G344-M347 PolarHBondContact O-N 3.35Å; M347-H349 PolarHBondContact O-N 3.29Å; M347-L350 CarbonylContact O-C 3.52Å; M347-L350 WeakPolarHBondContact O-CA 3.48Å; M347-L350 PolarHBondContact O-N 3.36Å; M347-R351 PolarHBondContact O-N 3.19Å; M347-F371 WeakPolarHBondContact CG-O 3.39Å; M347-I435 HydrophobicContact CG-CD1 4.47Å; M347-I435 HydrophobicContact SD-CD1 3.96Å
348	E	84.2	Confident	87.8	Confident	118 Å²	118	68.7 Å²	68.7	55%	0.551	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	42.4	-113.9	178.2	-64.5	-62.1	164.6	0	0	114.2	Y343 L350 R351	Y343-E348 HydrophobicContact CD1-CB 4.43Å; Y343-E348 HydrophobicContact CD1-CG 3.98Å; Y343-E348 HydrophobicContact CD2-CB 4.01Å; Y343-E348 HydrophobicContact CD2-CG 3.99Å; Y343-E348 HydrophobicContact CE1-CG 3.7Å; Y343-E348 HydrophobicContact CE2-CB 4.19Å; Y343-E348 HydrophobicContact CE2-CG 3.73Å; Y343-E348 HydrophobicContact CG-CB 4.14Å; Y343-E348 HydrophobicContact CG-CG 4.11Å; E348-L350 VanDerWaalsContact C-N 3.31Å; E348-L350 PolarHBondContact O-N 3.43Å; E348-R351 WeakPolarHBondContact O-CB 3.35Å; E348-R351 PolarHBondContact O-N 2.88Å
349	H	86.2	Confident	88.5	Confident	114 Å²	114	69.8 Å²	69.8	53%	0.528	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-76.7	-15.2	-177.7	63.8	-71.2	0	0	0	113.7	M347 E363	M347-H349 PolarHBondContact O-N 3.29Å; H349-E363 IonicContact CD2-OE1 2.89Å; H349-E363 IonicContact CD2-OE2 2.86Å; H349-E363 PolarHBondContact CD2-OE2 2.86Å; H349-E363 IonicContact CE1-OE2 2.67Å; H349-E363 IonicContact NE2-OE1 2.69Å; H349-E363 IonicContact NE2-OE2 3.12Å; H349-E363 PolarHBondContact NE2-OE2 2.79Å
350	L	88.6	Confident	89.2	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.026	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-97.7	13.4	172.7	-61.2	179	0	0	0	112.8	L345 G346 M347 E348 E352 V353 N360 F364	L345-L350 HydrophobicContact CD2-CD1 4.44Å; G346-L350 PolarHBondContact N-O 3Å; M347-L350 CarbonylContact O-C 3.52Å; M347-L350 WeakPolarHBondContact O-CA 3.48Å; M347-L350 PolarHBondContact O-N 3.36Å; E348-L350 VanDerWaalsContact C-N 3.31Å; E348-L350 PolarHBondContact O-N 3.43Å; L350-E352 PolarHBondContact O-N 2.85Å; L350-V353 HydrophobicContact CB-CB 4.4Å; L350-V353 HydrophobicContact CD2-CB 4.31Å; L350-V353 HydrophobicContact CD2-CG1 4.5Å; L350-V353 HydrophobicContact CD2-CG2 4.07Å; L350-V353 PolarHBondContact O-N 3.47Å; L350-V353 VanDerWaalsContact O-N 3.15Å; L350-N360 HydrophobicContact CD2-CB 4.23Å; L350-F364 HydrophobicContact CD1-CE1 4.2Å; L350-F364 HydrophobicContact CD1-CZ 3.91Å
351	R	85.5	Confident	90.1	Very high	173 Å²	173	55.6 Å²	55.6	65%	0.653	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-44.9	-175.3	178.8	-176.2	165.7	140.6	5.9	114.4	M347 E348	M347-R351 PolarHBondContact O-N 3.19Å; E348-R351 WeakPolarHBondContact O-CB 3.35Å; E348-R351 PolarHBondContact O-N 2.88Å
352	E	81.8	Confident	90.4	Very high	161 Å²	161	58.6 Å²	58.6	75%	0.752	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	6.5	-178.7	-51	-58.4	143.7	0	0	112.4	L350	L350-E352 PolarHBondContact O-N 2.85Å
353	V	89.1	Confident	90.5	Very high	54 Å²	54	61.3 Å²	61.3	33%	0.327	30%	0.302	S	S	.	.			trans	-94.8	120.3	-174.7	-175.3	0	0	0	0	109.9	L345 L350	L345-V353 HydrophobicContact CD2-CB 4.24Å; L345-V353 HydrophobicContact CD2-CG1 3.96Å; L350-V353 HydrophobicContact CB-CB 4.4Å; L350-V353 HydrophobicContact CD2-CB 4.31Å; L350-V353 HydrophobicContact CD2-CG1 4.5Å; L350-V353 HydrophobicContact CD2-CG2 4.07Å; L350-V353 PolarHBondContact O-N 3.47Å; L350-V353 VanDerWaalsContact O-N 3.15Å
354	R	91.6	Very high	90.6	Very high	171 Å²	171	58 Å²	58	65%	0.645	29%	0.289	S	S	*	.			trans	-89.8	-12.9	-172.6	72.8	176.6	179.2	-152.7	0.6	116.2	L377 E379	R354-L377 HydrophobicContact CG-CD1 4.01Å; R354-E379 WeakPolarHBondContact CG-OE1 3.45Å; R354-E379 IonicContact CZ-OE1 3.78Å; R354-E379 IonicContact CZ-OE2 3.67Å; R354-E379 VanDerWaalsContact CZ-OE2 3.25Å; R354-E379 IonicContact NE-OE1 2.76Å; R354-E379 PolarHBondContact NE-OE1 2.96Å; R354-E379 IonicContact NE-OE2 3.94Å; R354-E379 PolarHBondContact NE-OE2 2.84Å; R354-E379 VanDerWaalsContact NE-OE2 3.13Å; R354-E379 IonicContact NH2-OE1 3.58Å; R354-E379 IonicContact NH2-OE2 3.65Å; R354-E379 PolarHBondContact NH2-OE2 2.71Å
355	A	94.2	Very high	90.6	Very high	2 Å²	2	61 Å²	61	2%	0.017	31%	0.314	C	S	.	.	S	Bend	trans	-146.9	153.4	-173.5	0	0	0	0	0	113	T357 N360 A375 L377 E379	A355-T357 HydrophobicContact CB-CG2 4.11Å; A355-N360 PolarHBondContact O-ND2 2.9Å; A355-A375 WeakPolarHBondContact CA-O 3.32Å; A355-L377 HydrophobicContact CB-CB 4.29Å; A355-L377 HydrophobicContact CB-CD1 3.92Å; A355-L377 HydrophobicContact CB-CG 3.92Å; A355-E379 HydrophobicContact CB-CG 4.43Å
356	V	96.1	Very high	90.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.34	C	S	.	.			trans	-75.3	129.7	161.5	-179.6	0	0	0	0	108.1	L345 N360 I361 F364 L374 A375 F376 S380 L392 F400	L345-V356 HydrophobicContact CD1-CG2 4.36Å; V356-N360 WeakPolarHBondContact CA-OD1 3.33Å; V356-I361 HydrophobicContact CG1-CB 4.45Å; V356-I361 HydrophobicContact CG1-CD1 3.83Å; V356-F364 HydrophobicContact CG1-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CZ 4.41Å; V356-L374 HydrophobicContact CG2-CD2 4.02Å; V356-A375 PolarHBondContact N-O 3.12Å; V356-F376 HydrophobicContact CB-CD1 4.09Å; V356-F376 HydrophobicContact CB-CE1 3.72Å; V356-F376 HydrophobicContact CB-CZ 4.09Å; V356-F376 HydrophobicContact CG1-CD1 4.49Å; V356-F376 HydrophobicContact CG1-CE1 3.76Å; V356-F376 HydrophobicContact CG1-CZ 4.21Å; V356-F376 HydrophobicContact CG2-CE1 4.14Å; V356-F376 HydrophobicContact CG2-CE2 4.37Å; V356-F376 HydrophobicContact CG2-CZ 3.97Å; V356-S380 WeakPolarHBondContact O-CB 3.42Å; V356-S380 PolarHBondContact O-OG 2.71Å; V356-L392 HydrophobicContact CG1-CD2 4.27Å; V356-F400 HydrophobicContact CG1-CE2 4.3Å; V356-F400 HydrophobicContact CG1-CZ 4.13Å; V356-F400 HydrophobicContact CG2-CZ 4.43Å
357	T	95.4	Very high	91.1	Very high	19 Å²	19	61.8 Å²	61.8	12%	0.117	32%	0.322	C	S	.	.			trans	-143.2	174.8	-175.2	69.3	0	0	0	0	110.9	A355 A359 N360 I361 T389	A355-T357 HydrophobicContact CB-CG2 4.11Å; T357-A359 PolarHBondContact O-N 3.4Å; T357-A359 PolarHBondContact OG1-N 3.18Å; T357-N360 PolarHBondContact N-OD1 3.02Å; T357-N360 PolarHBondContact O-N 2.96Å; T357-N360 PolarHBondContact O-OD1 3.02Å; T357-I361 WeakPolarHBondContact O-CB 3.46Å; T357-I361 PolarHBondContact O-N 3Å; T357-T389 HydrophobicContact CG2-CG2 4.39Å
358	S	94.5	Very high	91.5	Very high	32 Å²	32	66.4 Å²	66.4	22%	0.224	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.7	175.6	81.9	0	0	0	0	113.8	A390	S358-A390 VanDerWaalsContact CB-O 3.27Å; S358-A390 WeakPolarHBondContact CB-O 3.37Å; S358-A390 PolarHBondContact OG-N 2.83Å; S358-A390 PolarHBondContact OG-O 3.5Å; S358-A390 VanDerWaalsContact OG-O 3.11Å
359	A	93.3	Very high	92	Very high	72 Å²	72	62.9 Å²	62.9	60%	0.595	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-30.9	-177.9	0	0	0	0	0	113.2	T357 T389	T357-A359 PolarHBondContact O-N 3.4Å; T357-A359 PolarHBondContact OG1-N 3.18Å; A359-T389 HydrophobicContact CB-CG2 4.32Å
360	N	94.1	Very high	92.4	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.043	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-12.4	-174.6	64.7	25.1	0	0	0	114.7	L350 A355 V356 T357 Q362 E363	L350-N360 HydrophobicContact CD2-CB 4.23Å; A355-N360 PolarHBondContact O-ND2 2.9Å; V356-N360 WeakPolarHBondContact CA-OD1 3.33Å; T357-N360 PolarHBondContact N-OD1 3.02Å; T357-N360 PolarHBondContact O-N 2.96Å; T357-N360 PolarHBondContact O-OD1 3.02Å; N360-Q362 PolarHBondContact O-N 3.24Å; N360-E363 WeakPolarHBondContact O-CB 3.48Å; N360-E363 WeakPolarHBondContact O-CG 3.37Å; N360-E363 PolarHBondContact O-N 3.31Å
361	I	95.1	Very high	92.6	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-51.7	-35.6	-177.3	-176.5	63.2	0	0	0	113.8	V356 T357 E363 F364 L392 Q396 V399 F400	V356-I361 HydrophobicContact CG1-CB 4.45Å; V356-I361 HydrophobicContact CG1-CD1 3.83Å; T357-I361 WeakPolarHBondContact O-CB 3.46Å; T357-I361 PolarHBondContact O-N 3Å; I361-E363 PolarHBondContact O-N 2.79Å; I361-F364 HydrophobicContact CD1-CD2 4.39Å; I361-F364 WeakPolarHBondContact O-CD2 3.29Å; I361-F364 PolarHBondContact O-N 2.91Å; I361-L392 HydrophobicContact CB-CD1 3.88Å; I361-L392 HydrophobicContact CG1-CD1 3.98Å; I361-L392 HydrophobicContact CG2-CD1 3.8Å; I361-Q396 HydrophobicContact CG1-CB 4.22Å; I361-V399 HydrophobicContact CD1-CB 4.25Å; I361-V399 HydrophobicContact CD1-CG1 4.33Å; I361-V399 HydrophobicContact CG1-CB 4.45Å; I361-V399 HydrophobicContact CG1-CG2 4.34Å; I361-F400 HydrophobicContact CD1-CD2 4.24Å; I361-F400 HydrophobicContact CD1-CE2 3.36Å; I361-F400 HydrophobicContact CD1-CZ 3.76Å
362	Q	92.9	Very high	92.9	Very high	117 Å²	117	50.7 Å²	50.7	55%	0.547	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-69.7	-16.2	-178.2	-60.3	-59.4	-40.1	0	0	113.8	N360 F364 A365	N360-Q362 PolarHBondContact O-N 3.24Å; Q362-F364 PolarHBondContact O-N 3.5Å; Q362-A365 WeakPolarHBondContact O-CB 3.32Å; Q362-A365 PolarHBondContact O-N 3.22Å
363	E	92.5	Very high	93.6	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-70.8	-19.6	175.9	-59.2	-177.8	-178.7	0	0	112.6	H349 N360 I361	H349-E363 IonicContact CD2-OE1 2.89Å; H349-E363 IonicContact CD2-OE2 2.86Å; H349-E363 PolarHBondContact CD2-OE2 2.86Å; H349-E363 IonicContact CE1-OE2 2.67Å; H349-E363 IonicContact NE2-OE1 2.69Å; H349-E363 IonicContact NE2-OE2 3.12Å; H349-E363 PolarHBondContact NE2-OE2 2.79Å; N360-E363 WeakPolarHBondContact O-CB 3.48Å; N360-E363 WeakPolarHBondContact O-CG 3.37Å; N360-E363 PolarHBondContact O-N 3.31Å; I361-E363 PolarHBondContact O-N 2.79Å
364	F	94.6	Very high	94	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-90.5	2.4	179.7	-51.2	-66.4	0	0	0	113.5	Y343 L350 V356 I361 Q362 G366 C367 I370 L374 V399 F400	Y343-F364 WeakPolarHBondContact O-CE1 3.45Å; L350-F364 HydrophobicContact CD1-CE1 4.2Å; L350-F364 HydrophobicContact CD1-CZ 3.91Å; V356-F364 HydrophobicContact CG1-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CE2 4.1Å; V356-F364 HydrophobicContact CG2-CZ 4.41Å; I361-F364 HydrophobicContact CD1-CD2 4.39Å; I361-F364 WeakPolarHBondContact O-CD2 3.29Å; I361-F364 PolarHBondContact O-N 2.91Å; Q362-F364 PolarHBondContact O-N 3.5Å; F364-G366 PolarHBondContact O-N 2.92Å; F364-C367 VanDerWaalsContact CA-SG 3.56Å; F364-C367 VanDerWaalsContact O-CB 3.3Å; F364-C367 WeakPolarHBondContact O-CB 3.48Å; F364-C367 PolarHBondContact O-N 2.73Å; F364-C367 PolarHBondContact O-SG 3.2Å; F364-I370 HydrophobicContact CD1-CD1 3.69Å; F364-I370 HydrophobicContact CE1-CD1 4.36Å; F364-L374 HydrophobicContact CD1-CD2 4.36Å; F364-L374 HydrophobicContact CE1-CD2 3.91Å; F364-L374 HydrophobicContact CZ-CD2 4.03Å; F364-V399 VanDerWaalsContact C-CG1 3.44Å; F364-V399 HydrophobicContact CB-CG1 3.68Å; F364-F400 HydrophobicContact CB-CD1 4.17Å; F364-F400 HydrophobicContact CB-CE1 3.51Å; F364-F400 HydrophobicContact CB-CZ 4.03Å; F364-F400 HydrophobicContact CD1-CE1 4.12Å; F364-F400 AromaticContact CD2-CE1 3.78Å; F364-F400 HydrophobicContact CD2-CE1 3.78Å; F364-F400 AromaticContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CE2-CZ 4.18Å; F364-F400 AromaticContact CG-CE1 3.52Å; F364-F400 HydrophobicContact CG-CE1 3.52Å; F364-F400 AromaticContact CG-CZ 3.83Å; F364-F400 HydrophobicContact CG-CZ 3.83Å
365	A	93.3	Very high	94.3	Very high	62 Å²	62	32.5 Å²	32.5	51%	0.512	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	114	-175.3	0	0	0	0	0	113.4	Q362 C367	Q362-A365 WeakPolarHBondContact O-CB 3.32Å; Q362-A365 PolarHBondContact O-N 3.22Å; A365-C367 VanDerWaalsContact C-N 3.32Å
366	G	90.6	Very high	94.5	Very high	57 Å²	57	32.4 Å²	32.4	59%	0.588	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	12.8	179	0	0	0	0	0	114.6	F364 K368 T402	F364-G366 PolarHBondContact O-N 2.92Å; G366-K368 PolarHBondContact O-N 2.73Å; G366-T402 WeakPolarHBondContact CA-OG1 3.41Å
367	C	94.2	Very high	94.4	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.054	20%	0.2	C	C	.	.			trans	-76.4	117.2	-178.8	-64.2	0	0	0	0	112	C342 F364 A365 I370 T402 L403	C342-C367 HydrophobicContact CB-CB 3.66Å; C342-C367 WeakPolarHBondContact CB-SG 3.37Å; C342-C367 WeakPolarHBondContact SG-CB 3.34Å; C342-C367 CovalentContact SG-SG 2.02Å; C342-C367 PolarHBondContact SG-SG 3.41Å; F364-C367 VanDerWaalsContact CA-SG 3.56Å; F364-C367 VanDerWaalsContact O-CB 3.3Å; F364-C367 WeakPolarHBondContact O-CB 3.48Å; F364-C367 PolarHBondContact O-N 2.73Å; F364-C367 PolarHBondContact O-SG 3.2Å; A365-C367 VanDerWaalsContact C-N 3.32Å; C367-I370 HydrophobicContact CB-CD1 3.77Å; C367-T402 PolarHBondContact N-OG1 3.4Å; C367-T402 CarbonylContact O-C 3.39Å; C367-T402 PolarHBondContact O-OG1 3.24Å; C367-L403 WeakPolarHBondContact O-CA 3.48Å
368	K	94.1	Very high	94.4	Very high	130 Å²	130	35.9 Å²	35.9	57%	0.565	21%	0.214	S	C	*	.	S	Bend	trans	-80.3	-26.7	170.9	-76.4	-178.5	170.2	-67	0	114	G366 T402 E404 E405	G366-K368 PolarHBondContact O-N 2.73Å; K368-T402 WeakPolarHBondContact CA-O 3.4Å; K368-E404 IonicContact NZ-OE1 3.55Å; K368-E404 PolarHBondContact NZ-OE1 2.75Å; K368-E404 WeakPolarHBondContact O-CA 3.33Å; K368-E404 WeakPolarHBondContact O-CB 3.2Å; K368-E404 PolarHBondContact O-N 3.46Å; K368-E405 PolarHBondContact O-N 2.8Å; K368-E405 VanDerWaalsContact O-N 3.16Å
369	K	93.9	Very high	94.3	Very high	45 Å²	45	36.9 Å²	36.9	20%	0.196	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	130.1	179.4	176.1	167.5	170.7	161	0	110.8	E321 F371 E405	E321-K369 IonicContact OE2-NZ 3.64Å; E321-K369 PolarHBondContact OE2-NZ 3.15Å; K369-F371 HydrophobicContact CB-CE2 4.37Å; K369-F371 HydrophobicContact CD-CE2 3.87Å; K369-F371 HydrophobicContact CD-CZ 3.95Å; K369-F371 HydrophobicContact CG-CD2 4.12Å; K369-F371 HydrophobicContact CG-CE2 3.76Å; K369-F371 HydrophobicContact CG-CZ 4.34Å; K369-E405 CarbonylContact C-O 3.5Å; K369-E405 VanDerWaalsContact CA-O 3.24Å; K369-E405 WeakPolarHBondContact CA-O 3.04Å; K369-E405 HydrophobicContact CB-CB 4.36Å; K369-E405 HydrophobicContact CD-CB 4.27Å; K369-E405 HydrophobicContact CD-CG 4.19Å; K369-E405 VanDerWaalsContact CE-OE1 3.26Å; K369-E405 WeakPolarHBondContact CE-OE1 3.31Å; K369-E405 HydrophobicContact CG-CB 4.09Å; K369-E405 HydrophobicContact CG-CG 4.27Å; K369-E405 IonicContact NZ-OE1 3.65Å; K369-E405 PolarHBondContact NZ-OE1 3.36Å
370	I	95	Very high	94.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	123.9	173.1	-62.1	-51	0	0	0	109.9	C342 G344 F364 C367 G372 L374 L403 E405 T407	C342-I370 HydrophobicContact CB-CD1 3.65Å; G344-I370 VanDerWaalsContact CA-CG2 3.47Å; F364-I370 HydrophobicContact CD1-CD1 3.69Å; F364-I370 HydrophobicContact CE1-CD1 4.36Å; C367-I370 HydrophobicContact CB-CD1 3.77Å; I370-G372 PolarHBondContact O-N 2.91Å; I370-L374 HydrophobicContact CG2-CD2 4.43Å; I370-L403 HydrophobicContact CB-CD1 4.47Å; I370-L403 HydrophobicContact CG1-CD1 3.75Å; I370-L403 HydrophobicContact CG1-CD2 4.03Å; I370-E405 PolarHBondContact N-O 3.34Å; I370-T407 PolarHBondContact O-N 3.43Å; I370-T407 PolarHBondContact O-OG1 3.32Å
371	F	92.1	Very high	94.4	Very high	36 Å²	36	34.9 Å²	34.9	16%	0.158	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	88.9	172.9	-71.1	-103.6	0	0	0	108.8	E321 V341 C342 Y343 G344 M347 K369 T407	E321-F371 HydrophobicContact CB-CE1 4.41Å; E321-F371 HydrophobicContact CG-CE1 4.13Å; E321-F371 WeakPolarHBondContact OE1-CE1 3.21Å; V341-F371 HydrophobicContact CB-CD2 3.63Å; V341-F371 HydrophobicContact CB-CE2 3.73Å; V341-F371 HydrophobicContact CB-CG 4.29Å; V341-F371 HydrophobicContact CB-CZ 4.46Å; V341-F371 HydrophobicContact CG1-CD2 3.97Å; V341-F371 HydrophobicContact CG1-CE2 3.55Å; V341-F371 HydrophobicContact CG1-CZ 3.89Å; V341-F371 HydrophobicContact CG2-CD2 4.22Å; V341-F371 HydrophobicContact CG2-CG 4.4Å; C342-F371 PolarHBondContact O-N 3Å; Y343-F371 CarbonylContact C-O 3.56Å; Y343-F371 WeakPolarHBondContact CA-O 3.07Å; Y343-F371 HydrophobicContact CD1-CB 4.12Å; Y343-F371 HydrophobicContact CE1-CB 4.48Å; G344-F371 PolarHBondContact N-O 2.99Å; M347-F371 WeakPolarHBondContact CG-O 3.39Å; K369-F371 HydrophobicContact CB-CE2 4.37Å; K369-F371 HydrophobicContact CD-CE2 3.87Å; K369-F371 HydrophobicContact CD-CZ 3.95Å; K369-F371 HydrophobicContact CG-CD2 4.12Å; K369-F371 HydrophobicContact CG-CE2 3.76Å; K369-F371 HydrophobicContact CG-CZ 4.34Å; F371-T407 WeakPolarHBondContact CA-OG1 3.43Å; F371-T407 HydrophobicContact CD1-CG2 4.39Å
372	G	92.6	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	136.6	-161.5	-169.3	0	0	0	0	0	111.1	I370 I406 T407 G408	I370-G372 PolarHBondContact O-N 2.91Å; G372-I406 WeakPolarHBondContact O-CG2 3.26Å; G372-T407 PolarHBondContact N-OG1 3.47Å; G372-G408 VanDerWaalsContact O-CA 3.29Å; G372-G408 WeakPolarHBondContact O-CA 3.19Å; G372-G408 PolarHBondContact O-N 3.44Å
373	S	96.3	Very high	94	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-114.6	164.6	-175.7	-48.5	0	0	0	0	112.1	G344 L345 Y409	G344-S373 CarbonylContact C-O 3.51Å; G344-S373 WeakPolarHBondContact CA-O 3.36Å; L345-S373 WeakPolarHBondContact CB-O 3.45Å; L345-S373 PolarHBondContact N-O 3.19Å; L345-S373 PolarHBondContact O-N 3.19Å; S373-Y409 WeakPolarHBondContact CA-O 3.39Å; S373-Y409 WeakPolarHBondContact CB-O 3.49Å; S373-Y409 WeakPolarHBondContact OG-CD1 3.47Å; S373-Y409 VanDerWaalsContact OG-CE1 3.24Å; S373-Y409 WeakPolarHBondContact OG-CE1 3.32Å; S373-Y409 PolarHBondContact OG-N 3.46Å
374	L	97.9	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.6	169.7	-63.7	178.3	0	0	0	109.6	V356 F364 I370 F376 F400 L403 I406 Y409 L410 Y411 F425	V356-L374 HydrophobicContact CG2-CD2 4.02Å; F364-L374 HydrophobicContact CD1-CD2 4.36Å; F364-L374 HydrophobicContact CE1-CD2 3.91Å; F364-L374 HydrophobicContact CZ-CD2 4.03Å; I370-L374 HydrophobicContact CG2-CD2 4.43Å; L374-F376 HydrophobicContact CB-CE2 4.16Å; L374-F400 HydrophobicContact CD1-CD1 3.99Å; L374-F400 HydrophobicContact CD1-CE1 3.67Å; L374-F400 HydrophobicContact CD1-CZ 4.27Å; L374-F400 HydrophobicContact CD2-CE1 3.95Å; L374-F400 HydrophobicContact CD2-CZ 4.22Å; L374-L403 HydrophobicContact CD1-CD2 3.79Å; L374-I406 HydrophobicContact CD1-CD1 3.97Å; L374-I406 HydrophobicContact CG-CD1 4.49Å; L374-Y409 PolarHBondContact N-O 3.13Å; L374-L410 HydrophobicContact CB-CD1 3.91Å; L374-L410 WeakPolarHBondContact O-CA 3.45Å; L374-Y411 PolarHBondContact O-N 3.12Å; L374-F425 HydrophobicContact CD1-CE1 4.01Å; L374-F425 HydrophobicContact CD1-CZ 4.39Å
375	A	97.6	Very high	93.2	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	129.4	179.3	0	0	0	0	0	110.5	L345 A355 V356 Y411	L345-A375 HydrophobicContact CD1-CB 3.58Å; L345-A375 VanDerWaalsContact CD1-N 3.34Å; A355-A375 WeakPolarHBondContact CA-O 3.32Å; V356-A375 PolarHBondContact N-O 3.12Å; A375-Y411 CarbonylContact C-O 3.6Å; A375-Y411 VanDerWaalsContact CA-O 3.24Å; A375-Y411 WeakPolarHBondContact CA-O 3.35Å; A375-Y411 HydrophobicContact CB-CD1 4.24Å
376	F	97.6	Very high	92.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.6	176.9	-62.3	-93.6	0	0	0	108.6	V356 L374 F381 L397 F400 L410 Y411 I412 S413 A414 W415 F425	V356-F376 HydrophobicContact CB-CD1 4.09Å; V356-F376 HydrophobicContact CB-CE1 3.72Å; V356-F376 HydrophobicContact CB-CZ 4.09Å; V356-F376 HydrophobicContact CG1-CD1 4.49Å; V356-F376 HydrophobicContact CG1-CE1 3.76Å; V356-F376 HydrophobicContact CG1-CZ 4.21Å; V356-F376 HydrophobicContact CG2-CE1 4.14Å; V356-F376 HydrophobicContact CG2-CE2 4.37Å; V356-F376 HydrophobicContact CG2-CZ 3.97Å; L374-F376 HydrophobicContact CB-CE2 4.16Å; F376-F381 HydrophobicContact CB-CE2 4.21Å; F376-F381 HydrophobicContact CB-CZ 4.49Å; F376-F381 HydrophobicContact CD1-CZ 4.06Å; F376-L397 HydrophobicContact CD1-CD2 4.25Å; F376-L397 HydrophobicContact CE1-CD2 3.69Å; F376-F400 HydrophobicContact CE1-CE2 4.07Å; F376-F400 HydrophobicContact CZ-CD2 4.22Å; F376-F400 AromaticContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CZ 4.04Å; F376-L410 HydrophobicContact CE2-CD1 4.23Å; F376-Y411 PolarHBondContact N-O 2.89Å; F376-I412 HydrophobicContact CB-CG2 4.22Å; F376-I412 HydrophobicContact CD2-CG1 4.14Å; F376-S413 PolarHBondContact O-N 2.98Å; F376-S413 PolarHBondContact O-OG 3.08Å; F376-A414 PolarHBondContact O-N 3.25Å; F376-W415 HydrophobicContact CD1-CZ3 4.19Å; F376-W415 HydrophobicContact CD2-CZ3 4.37Å; F376-W415 HydrophobicContact CE1-CZ3 4.36Å; F376-W415 HydrophobicContact CG-CZ3 4.2Å; F376-F425 HydrophobicContact CE2-CE2 4.19Å; F376-F425 AromaticContact CE2-CZ 3.7Å; F376-F425 HydrophobicContact CE2-CZ 3.7Å; F376-F425 AromaticContact CZ-CZ 3.86Å; F376-F425 HydrophobicContact CZ-CZ 3.86Å
377	L	95.6	Very high	92.4	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.141	24%	0.242	C	C	.	.			trans	-120.3	166	-172.6	-57	-170.7	0	0	0	109.3	R354 A355 E379 S380 Y411 S413	R354-L377 HydrophobicContact CG-CD1 4.01Å; A355-L377 HydrophobicContact CB-CB 4.29Å; A355-L377 HydrophobicContact CB-CD1 3.92Å; A355-L377 HydrophobicContact CB-CG 3.92Å; L377-E379 VanDerWaalsContact C-N 3.29Å; L377-E379 HydrophobicContact CB-CG 3.8Å; L377-E379 HydrophobicContact CD1-CG 4.39Å; L377-E379 PolarHBondContact O-N 3.24Å; L377-S380 PolarHBondContact N-OG 2.72Å; L377-S380 VanDerWaalsContact N-OG 3.14Å; L377-S380 WeakPolarHBondContact O-CB 3.39Å; L377-S380 PolarHBondContact O-N 2.64Å; L377-S380 PolarHBondContact O-OG 3.48Å; L377-Y411 HydrophobicContact CD2-CD1 3.84Å; L377-Y411 HydrophobicContact CD2-CE1 3.46Å; L377-Y411 VanDerWaalsContact CD2-CE1 3.46Å; L377-S413 WeakPolarHBondContact CD2-OG 3.46Å
378	P	94.4	Very high	92.1	Very high	64 Å²	64	48.6 Å²	48.6	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-52.1	-45	175.2	-29.1	36	0	0	0	113.3	S380 F381 D382 A414	P378-S380 PolarHBondContact O-N 2.73Å; P378-F381 PolarHBondContact O-N 2.78Å; P378-D382 WeakPolarHBondContact CB-OD2 3.19Å; P378-D382 WeakPolarHBondContact O-CB 3.15Å; P378-D382 PolarHBondContact O-N 3.24Å; P378-A414 HydrophobicContact CB-CB 4.46Å; P378-A414 HydrophobicContact CG-CB 4.17Å
379	E	92	Very high	91.9	Very high	54 Å²	54	43.6 Å²	43.6	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-56.1	-20.2	173.6	65.1	-169.9	-141.1	0	0	115.3	R354 A355 L377 F381 G383	R354-E379 WeakPolarHBondContact CG-OE1 3.45Å; R354-E379 IonicContact CZ-OE1 3.78Å; R354-E379 IonicContact CZ-OE2 3.67Å; R354-E379 VanDerWaalsContact CZ-OE2 3.25Å; R354-E379 IonicContact NE-OE1 2.76Å; R354-E379 PolarHBondContact NE-OE1 2.96Å; R354-E379 IonicContact NE-OE2 3.94Å; R354-E379 PolarHBondContact NE-OE2 2.84Å; R354-E379 VanDerWaalsContact NE-OE2 3.13Å; R354-E379 IonicContact NH2-OE1 3.58Å; R354-E379 IonicContact NH2-OE2 3.65Å; R354-E379 PolarHBondContact NH2-OE2 2.71Å; A355-E379 HydrophobicContact CB-CG 4.43Å; L377-E379 VanDerWaalsContact C-N 3.29Å; L377-E379 HydrophobicContact CB-CG 3.8Å; L377-E379 HydrophobicContact CD1-CG 4.39Å; L377-E379 PolarHBondContact O-N 3.24Å; E379-F381 VanDerWaalsContact C-N 3.31Å; E379-G383 CarbonylContact O-C 3.28Å; E379-G383 VanDerWaalsContact O-CA 3.31Å; E379-G383 WeakPolarHBondContact O-CA 3.2Å; E379-G383 PolarHBondContact O-N 2.73Å
380	S	93.9	Very high	91.8	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-41.5	170.7	-60.5	0	0	0	0	110.8	V356 L377 P378 L392	V356-S380 WeakPolarHBondContact O-CB 3.42Å; V356-S380 PolarHBondContact O-OG 2.71Å; L377-S380 PolarHBondContact N-OG 2.72Å; L377-S380 VanDerWaalsContact N-OG 3.14Å; L377-S380 WeakPolarHBondContact O-CB 3.39Å; L377-S380 PolarHBondContact O-N 2.64Å; L377-S380 PolarHBondContact O-OG 3.48Å; P378-S380 PolarHBondContact O-N 2.73Å; S380-L392 WeakPolarHBondContact O-CB 3.48Å; S380-L392 PolarHBondContact O-N 3.08Å
381	F	95.3	Very high	91.8	Very high	37 Å²	37	46.8 Å²	46.8	16%	0.162	29%	0.287	C	S	.	.	H	α-helix	trans	-105.1	-32.5	-171	-55.7	-73.7	0	0	0	112.9	F376 P378 E379 G383 P391 L392 L397 A414 W415 P416	F376-F381 HydrophobicContact CB-CE2 4.21Å; F376-F381 HydrophobicContact CB-CZ 4.49Å; F376-F381 HydrophobicContact CD1-CZ 4.06Å; P378-F381 PolarHBondContact O-N 2.78Å; E379-F381 VanDerWaalsContact C-N 3.31Å; F381-G383 PolarHBondContact O-N 3.38Å; F381-P391 VanDerWaalsContact O-CB 3.27Å; F381-P391 WeakPolarHBondContact O-CB 3.19Å; F381-L392 HydrophobicContact CD1-CB 4.35Å; F381-L392 HydrophobicContact CE1-CD2 4.24Å; F381-L397 HydrophobicContact CE1-CD1 4.16Å; F381-L397 HydrophobicContact CE1-CD2 4.29Å; F381-L397 HydrophobicContact CZ-CD1 4.49Å; F381-L397 HydrophobicContact CZ-CD2 4.44Å; F381-A414 HydrophobicContact CD2-CB 3.78Å; F381-A414 HydrophobicContact CE2-CB 4.06Å; F381-A414 WeakPolarHBondContact CE2-O 3.28Å; F381-W415 HydrophobicContact CZ-CE3 4.28Å; F381-P416 HydrophobicContact CD1-CG 3.92Å; F381-P416 HydrophobicContact CE1-CG 3.65Å; F381-P416 HydrophobicContact CZ-CG 4.29Å
382	D	92.7	Very high	92	Very high	123 Å²	123	45.2 Å²	45.2	66%	0.658	28%	0.281	S	S	*	.	H	α-helix	trans	-70.1	-24.8	169.8	-62.8	-37.8	0	0	0	111.8	P378	P378-D382 WeakPolarHBondContact CB-OD2 3.19Å; P378-D382 WeakPolarHBondContact O-CB 3.15Å; P378-D382 PolarHBondContact O-N 3.24Å
383	G	86.8	Confident	92.1	Very high	8 Å²	8	49.7 Å²	49.7	8%	0.082	30%	0.302	C	S	.	.			trans	75.4	179	-167.5	0	0	0	0	0	112.6	E379 F381	E379-G383 CarbonylContact O-C 3.28Å; E379-G383 VanDerWaalsContact O-CA 3.31Å; E379-G383 WeakPolarHBondContact O-CA 3.2Å; E379-G383 PolarHBondContact O-N 2.73Å; F381-G383 PolarHBondContact O-N 3.38Å
384	D	86.3	Confident	91.9	Very high	57 Å²	57	51 Å²	51	31%	0.305	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-135.2	105.1	171.4	170.7	31.4	0	0	0	110.7	A386 S387 N388 T389	D384-A386 PolarHBondContact O-N 2.9Å; D384-A386 VanDerWaalsContact OD1-CB 3.31Å; D384-A386 WeakPolarHBondContact OD1-CB 3.13Å; D384-A386 PolarHBondContact OD1-N 2.69Å; D384-S387 PolarHBondContact O-OG 3.14Å; D384-S387 WeakPolarHBondContact OD2-CB 3.45Å; D384-S387 PolarHBondContact OD2-N 3.47Å; D384-S387 PolarHBondContact OD2-OG 2.59Å; D384-N388 PolarHBondContact O-N 3.11Å; D384-N388 VanDerWaalsContact O-N 3.14Å; D384-T389 PolarHBondContact N-O 3.19Å; D384-T389 PolarHBondContact O-N 2.92Å
385	P	84.5	Confident	91.7	Very high	123 Å²	123	57.5 Å²	57.5	80%	0.799	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.3	175	-25	35.3	0	0	0	114.6	N388	P385-N388 PolarHBondContact O-N 2.96Å
386	A	84.2	Confident	91.6	Very high	95 Å²	95	59.9 Å²	59.9	79%	0.785	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-40	-177.3	0	0	0	0	0	112.5	D384 N388	D384-A386 PolarHBondContact O-N 2.9Å; D384-A386 VanDerWaalsContact OD1-CB 3.31Å; D384-A386 WeakPolarHBondContact OD1-CB 3.13Å; D384-A386 PolarHBondContact OD1-N 2.69Å; A386-N388 VanDerWaalsContact C-N 3.3Å
387	S	83.8	Confident	91.5	Very high	68 Å²	68	59.9 Å²	59.9	48%	0.476	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-1.3	169	61.3	0	0	0	0	114.1	D384 T389	D384-S387 PolarHBondContact O-OG 3.14Å; D384-S387 WeakPolarHBondContact OD2-CB 3.45Å; D384-S387 PolarHBondContact OD2-N 3.47Å; D384-S387 PolarHBondContact OD2-OG 2.59Å; S387-T389 PolarHBondContact O-N 3.01Å; S387-T389 WeakPolarHBondContact OG-CB 3.35Å; S387-T389 PolarHBondContact OG-OG1 3.32Å
388	N	87.4	Confident	91.4	Very high	150 Å²	150	63 Å²	63	80%	0.802	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	34.9	-171.2	-171.1	66	0	0	0	112.5	D384 P385 A386	D384-N388 PolarHBondContact O-N 3.11Å; D384-N388 VanDerWaalsContact O-N 3.14Å; P385-N388 PolarHBondContact O-N 2.96Å; A386-N388 VanDerWaalsContact C-N 3.3Å
389	T	89.1	Confident	91.4	Very high	25 Å²	25	61.3 Å²	61.3	15%	0.153	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-91.1	127	176.6	-59.1	0	0	0	0	109.6	T357 A359 D384 S387	T357-T389 HydrophobicContact CG2-CG2 4.39Å; A359-T389 HydrophobicContact CB-CG2 4.32Å; D384-T389 PolarHBondContact N-O 3.19Å; D384-T389 PolarHBondContact O-N 2.92Å; S387-T389 PolarHBondContact O-N 3.01Å; S387-T389 WeakPolarHBondContact OG-CB 3.35Å; S387-T389 PolarHBondContact OG-OG1 3.32Å
390	A	93.2	Very high	91.7	Very high	52 Å²	52	58.9 Å²	58.9	43%	0.43	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-80.6	156.9	-178.1	0	0	0	0	0	112.3	S358 L392	S358-A390 VanDerWaalsContact CB-O 3.27Å; S358-A390 WeakPolarHBondContact CB-O 3.37Å; S358-A390 PolarHBondContact OG-N 2.83Å; S358-A390 PolarHBondContact OG-O 3.5Å; S358-A390 VanDerWaalsContact OG-O 3.11Å; A390-L392 PolarHBondContact O-N 3.31Å
391	P	95	Very high	91.7	Very high	59 Å²	59	63.3 Å²	63.3	38%	0.383	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-46.2	121.5	164.1	-34.4	39.9	0	0	0	113.2	F381 Q393	F381-P391 VanDerWaalsContact O-CB 3.27Å; F381-P391 WeakPolarHBondContact O-CB 3.19Å; P391-Q393 PolarHBondContact O-N 3.06Å; P391-Q393 PolarHBondContact O-NE2 3.05Å
392	L	95.3	Very high	91.6	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	37%	0.373	C	S	.	.			trans	-67.2	115.8	172.6	-177.3	61.8	0	0	0	109.6	V356 I361 S380 F381 A390 Q396 L397	V356-L392 HydrophobicContact CG1-CD2 4.27Å; I361-L392 HydrophobicContact CB-CD1 3.88Å; I361-L392 HydrophobicContact CG1-CD1 3.98Å; I361-L392 HydrophobicContact CG2-CD1 3.8Å; S380-L392 WeakPolarHBondContact O-CB 3.48Å; S380-L392 PolarHBondContact O-N 3.08Å; F381-L392 HydrophobicContact CD1-CB 4.35Å; F381-L392 HydrophobicContact CE1-CD2 4.24Å; A390-L392 PolarHBondContact O-N 3.31Å; L392-Q396 HydrophobicContact CD1-CB 3.85Å; L392-L397 HydrophobicContact CD2-CD2 3.76Å; L392-L397 HydrophobicContact CG-CD2 4.4Å
393	Q	94.3	Very high	91.9	Very high	93 Å²	93	58.6 Å²	58.6	44%	0.435	34%	0.342	S	S	.	.			trans	-75.5	141	-178.3	-54.2	-59.8	-77.4	0	0	110.5	P391 E395 Q396	P391-Q393 PolarHBondContact O-N 3.06Å; P391-Q393 PolarHBondContact O-NE2 3.05Å; Q393-E395 WeakPolarHBondContact CB-OE2 3.38Å; Q393-E395 PolarHBondContact O-N 2.94Å; Q393-E395 VanDerWaalsContact O-N 3.11Å; Q393-Q396 HydrophobicContact CB-CG 4.34Å; Q393-Q396 WeakPolarHBondContact O-CB 3.4Å; Q393-Q396 PolarHBondContact O-N 2.84Å
394	P	93.6	Very high	92.4	Very high	28 Å²	28	61 Å²	61	18%	0.182	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33	-175.3	-26.6	35.6	0	0	0	114.2	Q396 L397 P416 L419	P394-Q396 PolarHBondContact O-N 3.17Å; P394-L397 VanDerWaalsContact O-CB 3.29Å; P394-L397 WeakPolarHBondContact O-CB 3.37Å; P394-L397 WeakPolarHBondContact O-CG 3.41Å; P394-L397 PolarHBondContact O-N 3.03Å; P394-L397 VanDerWaalsContact O-N 3.16Å; P394-P416 HydrophobicContact CB-CB 4.2Å; P394-P416 HydrophobicContact CB-CG 4.06Å; P394-P416 HydrophobicContact CG-CB 3.85Å; P394-P416 HydrophobicContact CG-CG 3.94Å; P394-L419 HydrophobicContact CB-CD1 4.49Å
395	E	94	Very high	92.8	Very high	138 Å²	138	59.6 Å²	59.6	65%	0.645	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-65.5	-29	179.7	-58.2	70.2	-152.4	0	0	112	Q393 L397 Q398	Q393-E395 WeakPolarHBondContact CB-OE2 3.38Å; Q393-E395 PolarHBondContact O-N 2.94Å; Q393-E395 VanDerWaalsContact O-N 3.11Å; E395-L397 PolarHBondContact O-N 2.84Å; E395-Q398 PolarHBondContact O-N 3.47Å
396	Q	94.8	Very high	93.4	Very high	52 Å²	52	53.7 Å²	53.7	24%	0.243	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-70.6	-19.1	178.1	-62.1	-178	67.2	0	0	112.4	I361 L392 Q393 P394 Q398 V399	I361-Q396 HydrophobicContact CG1-CB 4.22Å; L392-Q396 HydrophobicContact CD1-CB 3.85Å; Q393-Q396 HydrophobicContact CB-CG 4.34Å; Q393-Q396 WeakPolarHBondContact O-CB 3.4Å; Q393-Q396 PolarHBondContact O-N 2.84Å; P394-Q396 PolarHBondContact O-N 3.17Å; Q396-Q398 PolarHBondContact O-N 2.84Å; Q396-V399 WeakPolarHBondContact O-CB 3.26Å; Q396-V399 VanDerWaalsContact O-CG2 3.28Å; Q396-V399 WeakPolarHBondContact O-CG2 3.37Å; Q396-V399 PolarHBondContact O-N 2.93Å
397	L	95.9	Very high	93.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-65.4	-25.4	176.3	-60	173.7	0	0	0	112.2	F376 F381 L392 P394 E395 V399 F400 W415 P416 L419 V424	F376-L397 HydrophobicContact CD1-CD2 4.25Å; F376-L397 HydrophobicContact CE1-CD2 3.69Å; F381-L397 HydrophobicContact CE1-CD1 4.16Å; F381-L397 HydrophobicContact CE1-CD2 4.29Å; F381-L397 HydrophobicContact CZ-CD1 4.49Å; F381-L397 HydrophobicContact CZ-CD2 4.44Å; L392-L397 HydrophobicContact CD2-CD2 3.76Å; L392-L397 HydrophobicContact CG-CD2 4.4Å; P394-L397 VanDerWaalsContact O-CB 3.29Å; P394-L397 WeakPolarHBondContact O-CB 3.37Å; P394-L397 WeakPolarHBondContact O-CG 3.41Å; P394-L397 PolarHBondContact O-N 3.03Å; P394-L397 VanDerWaalsContact O-N 3.16Å; E395-L397 PolarHBondContact O-N 2.84Å; L397-V399 PolarHBondContact O-N 2.82Å; L397-F400 WeakPolarHBondContact O-CD2 3.46Å; L397-F400 PolarHBondContact O-N 3.27Å; L397-W415 HydrophobicContact CD1-CH2 3.9Å; L397-W415 HydrophobicContact CD1-CZ2 4.09Å; L397-W415 HydrophobicContact CD1-CZ3 4.12Å; L397-W415 HydrophobicContact CD2-CZ3 4.41Å; L397-P416 HydrophobicContact CD1-CG 3.96Å; L397-L419 HydrophobicContact CD1-CD1 3.9Å; L397-V424 HydrophobicContact CB-CG1 4.1Å; L397-V424 HydrophobicContact CB-CG2 3.77Å; L397-V424 WeakPolarHBondContact O-CG1 3.26Å
398	Q	93.5	Very high	94.5	Very high	94 Å²	94	46.3 Å²	46.3	44%	0.439	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-62.2	-11.2	177.9	-63.1	-64.7	-5	0	0	113.8	E395 Q396 F400 E401	E395-Q398 PolarHBondContact O-N 3.47Å; Q396-Q398 PolarHBondContact O-N 2.84Å; Q398-F400 PolarHBondContact O-N 3.15Å; Q398-F400 VanDerWaalsContact O-N 3.14Å; Q398-E401 WeakPolarHBondContact O-CB 3.26Å; Q398-E401 PolarHBondContact O-N 3.05Å
399	V	94.2	Very high	94.9	Very high	28 Å²	28	41.1 Å²	41.1	17%	0.17	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-48.4	-34.4	164.4	161.6	0	0	0	0	112.5	I361 F364 Q396 L397	I361-V399 HydrophobicContact CD1-CB 4.25Å; I361-V399 HydrophobicContact CD1-CG1 4.33Å; I361-V399 HydrophobicContact CG1-CB 4.45Å; I361-V399 HydrophobicContact CG1-CG2 4.34Å; F364-V399 VanDerWaalsContact C-CG1 3.44Å; F364-V399 HydrophobicContact CB-CG1 3.68Å; Q396-V399 WeakPolarHBondContact O-CB 3.26Å; Q396-V399 VanDerWaalsContact O-CG2 3.28Å; Q396-V399 WeakPolarHBondContact O-CG2 3.37Å; Q396-V399 PolarHBondContact O-N 2.93Å; L397-V399 PolarHBondContact O-N 2.82Å
400	F	96.8	Very high	95.3	Very high	3 Å²	3	40 Å²	40	1%	0.013	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-84.1	0.6	-179.8	-59.6	-71.1	0	0	0	114.8	V356 I361 F364 L374 F376 L397 Q398 T402 L403 V424 F425	V356-F400 HydrophobicContact CG1-CE2 4.3Å; V356-F400 HydrophobicContact CG1-CZ 4.13Å; V356-F400 HydrophobicContact CG2-CZ 4.43Å; I361-F400 HydrophobicContact CD1-CD2 4.24Å; I361-F400 HydrophobicContact CD1-CE2 3.36Å; I361-F400 HydrophobicContact CD1-CZ 3.76Å; F364-F400 HydrophobicContact CB-CD1 4.17Å; F364-F400 HydrophobicContact CB-CE1 3.51Å; F364-F400 HydrophobicContact CB-CZ 4.03Å; F364-F400 HydrophobicContact CD1-CE1 4.12Å; F364-F400 AromaticContact CD2-CE1 3.78Å; F364-F400 HydrophobicContact CD2-CE1 3.78Å; F364-F400 AromaticContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CD2-CZ 3.55Å; F364-F400 HydrophobicContact CE2-CZ 4.18Å; F364-F400 AromaticContact CG-CE1 3.52Å; F364-F400 HydrophobicContact CG-CE1 3.52Å; F364-F400 AromaticContact CG-CZ 3.83Å; F364-F400 HydrophobicContact CG-CZ 3.83Å; L374-F400 HydrophobicContact CD1-CD1 3.99Å; L374-F400 HydrophobicContact CD1-CE1 3.67Å; L374-F400 HydrophobicContact CD1-CZ 4.27Å; L374-F400 HydrophobicContact CD2-CE1 3.95Å; L374-F400 HydrophobicContact CD2-CZ 4.22Å; F376-F400 HydrophobicContact CE1-CE2 4.07Å; F376-F400 HydrophobicContact CZ-CD2 4.22Å; F376-F400 AromaticContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CE2 3.58Å; F376-F400 HydrophobicContact CZ-CZ 4.04Å; L397-F400 WeakPolarHBondContact O-CD2 3.46Å; L397-F400 PolarHBondContact O-N 3.27Å; Q398-F400 PolarHBondContact O-N 3.15Å; Q398-F400 VanDerWaalsContact O-N 3.14Å; F400-T402 PolarHBondContact O-N 2.97Å; F400-T402 VanDerWaalsContact O-N 3.12Å; F400-L403 HydrophobicContact CD1-CD2 3.99Å; F400-L403 WeakPolarHBondContact O-CB 3.18Å; F400-L403 PolarHBondContact O-N 3.19Å; F400-V424 CarbonylContact C-O 3.54Å; F400-V424 HydrophobicContact CB-CG1 3.82Å; F400-V424 HydrophobicContact CD2-CG1 4.24Å; F400-F425 HydrophobicContact CB-CD1 3.94Å; F400-F425 HydrophobicContact CB-CE1 3.54Å; F400-F425 HydrophobicContact CB-CZ 4.32Å; F400-F425 HydrophobicContact CD1-CE1 4.08Å; F400-F425 HydrophobicContact CD2-CE1 4.05Å; F400-F425 HydrophobicContact CD2-CZ 4.1Å; F400-F425 AromaticContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CZ 4.16Å
401	E	94.1	Very high	95.5	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-57.4	-31.7	178.6	-172.4	-175.4	-162.6	0	0	111.8	Q398 L403 Q426 N427	Q398-E401 WeakPolarHBondContact O-CB 3.26Å; Q398-E401 PolarHBondContact O-N 3.05Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 3.49Å; E401-Q426 PolarHBondContact OE1-NE2 3.32Å; E401-N427 WeakPolarHBondContact O-CB 3.43Å; E401-N427 PolarHBondContact O-ND2 2.94Å
402	T	94.7	Very high	95.7	Very high	61 Å²	61	35.9 Å²	35.9	37%	0.374	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-79.4	-3	179.1	61.9	0	0	0	0	114.9	G366 C367 K368 F400	G366-T402 WeakPolarHBondContact CA-OG1 3.41Å; C367-T402 PolarHBondContact N-OG1 3.4Å; C367-T402 CarbonylContact O-C 3.39Å; C367-T402 PolarHBondContact O-OG1 3.24Å; K368-T402 WeakPolarHBondContact CA-O 3.4Å; F400-T402 PolarHBondContact O-N 2.97Å; F400-T402 VanDerWaalsContact O-N 3.12Å
403	L	97.3	Very high	95.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	18%	0.182	C	C	.	.			trans	-81	125.1	-170	-178.9	53.5	0	0	0	112.5	C367 I370 L374 F400 E401 E405 I406 F425 N427 L428	C367-L403 WeakPolarHBondContact O-CA 3.48Å; I370-L403 HydrophobicContact CB-CD1 4.47Å; I370-L403 HydrophobicContact CG1-CD1 3.75Å; I370-L403 HydrophobicContact CG1-CD2 4.03Å; L374-L403 HydrophobicContact CD1-CD2 3.79Å; F400-L403 HydrophobicContact CD1-CD2 3.99Å; F400-L403 WeakPolarHBondContact O-CB 3.18Å; F400-L403 PolarHBondContact O-N 3.19Å; E401-L403 VanDerWaalsContact C-N 3.28Å; E401-L403 PolarHBondContact O-N 3.49Å; L403-E405 WeakPolarHBondContact CD1-O 3.08Å; L403-I406 HydrophobicContact CD1-CG1 4.47Å; L403-I406 HydrophobicContact CD2-CD1 4.05Å; L403-I406 HydrophobicContact CD2-CG1 3.9Å; L403-I406 HydrophobicContact CG-CG1 4.41Å; L403-F425 HydrophobicContact CD2-CD1 4.26Å; L403-F425 HydrophobicContact CD2-CE1 4.16Å; L403-N427 CarbonylContact O-C 3.36Å; L403-L428 HydrophobicContact CG-CD1 4.32Å; L403-L428 WeakPolarHBondContact O-CA 3.3Å; L403-L428 PolarHBondContact O-N 2.72Å; L403-L428 VanDerWaalsContact O-N 3.16Å
404	E	97.3	Very high	95.8	Very high	59 Å²	59	33.3 Å²	33.3	28%	0.276	17%	0.168	S	C	.	.			trans	-114.3	-31.3	-177.6	-61.4	-178.4	-126.6	0	0	113.4	K368 Q429 V430	K368-E404 IonicContact NZ-OE1 3.55Å; K368-E404 PolarHBondContact NZ-OE1 2.75Å; K368-E404 WeakPolarHBondContact O-CA 3.33Å; K368-E404 WeakPolarHBondContact O-CB 3.2Å; K368-E404 PolarHBondContact O-N 3.46Å; E404-Q429 VanDerWaalsContact CG-NE2 3.31Å; E404-Q429 WeakPolarHBondContact O-CB 3.27Å; E404-Q429 PolarHBondContact O-N 2.79Å; E404-Q429 PolarHBondContact OE2-NE2 3.16Å; E404-V430 PolarHBondContact O-N 2.91Å
405	E	96.2	Very high	96	Very high	26 Å²	26	32.7 Å²	32.7	12%	0.121	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.1	-179.8	-178.7	170.2	140	0	0	113.6	K368 K369 I370 L403 V430 R432	K368-E405 PolarHBondContact O-N 2.8Å; K368-E405 VanDerWaalsContact O-N 3.16Å; K369-E405 CarbonylContact C-O 3.5Å; K369-E405 VanDerWaalsContact CA-O 3.24Å; K369-E405 WeakPolarHBondContact CA-O 3.04Å; K369-E405 HydrophobicContact CB-CB 4.36Å; K369-E405 HydrophobicContact CD-CB 4.27Å; K369-E405 HydrophobicContact CD-CG 4.19Å; K369-E405 VanDerWaalsContact CE-OE1 3.26Å; K369-E405 WeakPolarHBondContact CE-OE1 3.31Å; K369-E405 HydrophobicContact CG-CB 4.09Å; K369-E405 HydrophobicContact CG-CG 4.27Å; K369-E405 IonicContact NZ-OE1 3.65Å; K369-E405 PolarHBondContact NZ-OE1 3.36Å; I370-E405 PolarHBondContact N-O 3.34Å; L403-E405 WeakPolarHBondContact CD1-O 3.08Å; E405-V430 WeakPolarHBondContact CA-O 3.12Å; E405-V430 HydrophobicContact CG-CB 4.25Å; E405-R432 HydrophobicContact CG-CG 4.22Å; E405-R432 IonicContact OE1-CZ 3.78Å; E405-R432 IonicContact OE1-NE 3.61Å; E405-R432 PolarHBondContact OE1-NE 3.34Å; E405-R432 IonicContact OE1-NH2 3.73Å; E405-R432 IonicContact OE2-CZ 3.53Å; E405-R432 IonicContact OE2-NE 2.72Å; E405-R432 PolarHBondContact OE2-NE 2.04Å; E405-R432 IonicContact OE2-NH2 3.63Å; E405-R432 PolarHBondContact OE2-NH2 2.76Å
406	I	97.4	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128	168.9	-63.6	170.1	0	0	0	108.3	G372 L374 L403 L410 L428 V430 I431 R432	G372-I406 WeakPolarHBondContact O-CG2 3.26Å; L374-I406 HydrophobicContact CD1-CD1 3.97Å; L374-I406 HydrophobicContact CG-CD1 4.49Å; L403-I406 HydrophobicContact CD1-CG1 4.47Å; L403-I406 HydrophobicContact CD2-CD1 4.05Å; L403-I406 HydrophobicContact CD2-CG1 3.9Å; L403-I406 HydrophobicContact CG-CG1 4.41Å; I406-L410 HydrophobicContact CD1-CB 4.3Å; I406-L428 HydrophobicContact CD1-CD1 3.94Å; I406-L428 HydrophobicContact CD1-CD2 3.91Å; I406-L428 HydrophobicContact CG1-CD1 3.86Å; I406-V430 PolarHBondContact N-O 3.15Å; I406-I431 HydrophobicContact CB-CG2 4.46Å; I406-I431 HydrophobicContact CG2-CG2 4.48Å; I406-R432 PolarHBondContact O-N 3.44Å
407	T	94.5	Very high	95.9	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.043	16%	0.161	C	C	.	.	S	Bend	trans	-82.3	-30	178.7	66.5	0	0	0	0	114	I370 F371 G372 R432 G433 R434	I370-T407 PolarHBondContact O-N 3.43Å; I370-T407 PolarHBondContact O-OG1 3.32Å; F371-T407 WeakPolarHBondContact CA-OG1 3.43Å; F371-T407 HydrophobicContact CD1-CG2 4.39Å; G372-T407 PolarHBondContact N-OG1 3.47Å; T407-R432 WeakPolarHBondContact O-CB 3.46Å; T407-G433 PolarHBondContact O-N 2.99Å; T407-R434 WeakPolarHBondContact O-CB 3.18Å; T407-R434 PolarHBondContact O-N 3.02Å
408	G	94.8	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-88.3	-133.3	173.4	0	0	0	0	0	112.4	G372 I431 G433 I435	G372-G408 VanDerWaalsContact O-CA 3.29Å; G372-G408 WeakPolarHBondContact O-CA 3.19Å; G372-G408 PolarHBondContact O-N 3.44Å; G408-I431 VanDerWaalsContact O-CG2 3.31Å; G408-I431 WeakPolarHBondContact O-CG2 3.33Å; G408-G433 VanDerWaalsContact O-CA 3.27Å; G408-G433 WeakPolarHBondContact O-CA 3.42Å; G408-G433 PolarHBondContact O-N 2.84Å; G408-I435 CarbonylContact C-O 3.1Å; G408-I435 VanDerWaalsContact C-O 3.24Å; G408-I435 WeakPolarHBondContact CA-O 3.22Å
409	Y	96.6	Very high	95.9	Very high	42 Å²	42	32.9 Å²	32.9	17%	0.165	18%	0.18	C	C	.	.			trans	-113.7	166.1	179.2	63.2	-98.4	0	0	0	112.8	S373 L374 I435 L436 H437 S442	S373-Y409 WeakPolarHBondContact CA-O 3.39Å; S373-Y409 WeakPolarHBondContact CB-O 3.49Å; S373-Y409 WeakPolarHBondContact OG-CD1 3.47Å; S373-Y409 VanDerWaalsContact OG-CE1 3.24Å; S373-Y409 WeakPolarHBondContact OG-CE1 3.32Å; S373-Y409 PolarHBondContact OG-N 3.46Å; L374-Y409 PolarHBondContact N-O 3.13Å; Y409-I435 HydrophobicContact CD1-CG2 4.12Å; Y409-I435 HydrophobicContact CE1-CG2 4.08Å; Y409-I435 PolarHBondContact N-O 2.03Å; Y409-L436 VanDerWaalsContact CD1-C 3.47Å; Y409-H437 HydrophobicContact CD1-CB 4.12Å; Y409-H437 HydrophobicContact CD2-CB 3.79Å; Y409-H437 HydrophobicContact CE1-CB 4.2Å; Y409-H437 HydrophobicContact CE2-CB 3.9Å; Y409-H437 HydrophobicContact CG-CB 3.91Å; Y409-S442 CarbonylContact C-O 3.45Å; Y409-S442 VanDerWaalsContact CA-O 3.28Å; Y409-S442 WeakPolarHBondContact CA-O 3.43Å; Y409-S442 WeakPolarHBondContact CB-O 3.3Å
410	L	98.1	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.3	165.6	179.3	60.5	0	0	0	109.6	L374 F376 I406 I412 F425 L428 I431 S442 L443 T444	L374-L410 HydrophobicContact CB-CD1 3.91Å; L374-L410 WeakPolarHBondContact O-CA 3.45Å; F376-L410 HydrophobicContact CE2-CD1 4.23Å; I406-L410 HydrophobicContact CD1-CB 4.3Å; L410-I412 HydrophobicContact CD1-CD1 4.29Å; L410-I412 HydrophobicContact CD1-CG1 4.17Å; L410-I412 HydrophobicContact CD2-CD1 4.43Å; L410-I412 HydrophobicContact CG-CD1 4.34Å; L410-I412 HydrophobicContact CG-CG1 4.26Å; L410-F425 HydrophobicContact CD1-CE2 4.28Å; L410-F425 HydrophobicContact CD1-CZ 4.2Å; L410-F425 HydrophobicContact CD2-CD2 4.35Å; L410-F425 HydrophobicContact CD2-CE2 4.49Å; L410-L428 HydrophobicContact CD2-CD2 4.18Å; L410-I431 HydrophobicContact CB-CD1 3.89Å; L410-I431 HydrophobicContact CD2-CD1 4.33Å; L410-S442 PolarHBondContact N-O 2.9Å; L410-L443 HydrophobicContact CB-CD1 4.14Å; L410-L443 HydrophobicContact CD2-CD1 4.03Å; L410-L443 HydrophobicContact CG-CD1 4.2Å; L410-L443 CarbonylContact O-C 3.53Å; L410-L443 WeakPolarHBondContact O-CA 3.03Å; L410-T444 PolarHBondContact O-N 3.05Å
411	Y	97.7	Very high	95.9	Very high	26 Å²	26	35.1 Å²	35.1	10%	0.102	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128	178.9	-179.5	-91.9	0	0	0	110.2	L374 A375 F376 L377 S413 H437 T444 Q446	L374-Y411 PolarHBondContact O-N 3.12Å; A375-Y411 CarbonylContact C-O 3.6Å; A375-Y411 VanDerWaalsContact CA-O 3.24Å; A375-Y411 WeakPolarHBondContact CA-O 3.35Å; A375-Y411 HydrophobicContact CB-CD1 4.24Å; F376-Y411 PolarHBondContact N-O 2.89Å; L377-Y411 HydrophobicContact CD2-CD1 3.84Å; L377-Y411 HydrophobicContact CD2-CE1 3.46Å; L377-Y411 VanDerWaalsContact CD2-CE1 3.46Å; Y411-S413 WeakPolarHBondContact CE1-OG 3.29Å; Y411-S413 WeakPolarHBondContact OH-CB 3.42Å; Y411-H437 HydrophobicContact CD2-CB 4.5Å; Y411-H437 AromaticContact CD2-CD2 3.93Å; Y411-H437 AromaticContact CD2-CE1 3.44Å; Y411-H437 VanDerWaalsContact CD2-CE1 3.44Å; Y411-H437 WeakPolarHBondContact CD2-CE1 3.48Å; Y411-H437 AromaticContact CD2-CG 3.68Å; Y411-H437 AromaticContact CD2-ND1 3.36Å; Y411-H437 WeakPolarHBondContact CD2-ND1 3.02Å; Y411-H437 AromaticContact CD2-NE2 3.82Å; Y411-H437 AromaticContact CE2-CE1 3.18Å; Y411-H437 WeakPolarHBondContact CE2-CE1 3.39Å; Y411-H437 AromaticContact CE2-ND1 3.54Å; Y411-H437 AromaticContact CE2-NE2 3.72Å; Y411-T444 HydrophobicContact CD2-CG2 3.75Å; Y411-T444 HydrophobicContact CE2-CG2 3.61Å; Y411-Q446 PolarHBondContact OH-OE1 2.89Å
412	I	97.9	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	110.7	178.9	-47.9	-173.6	0	0	0	108.2	F376 L410 A414 W415 L422 F425 T444 L445 Q446 L448	F376-I412 HydrophobicContact CB-CG2 4.22Å; F376-I412 HydrophobicContact CD2-CG1 4.14Å; L410-I412 HydrophobicContact CD1-CD1 4.29Å; L410-I412 HydrophobicContact CD1-CG1 4.17Å; L410-I412 HydrophobicContact CD2-CD1 4.43Å; L410-I412 HydrophobicContact CG-CD1 4.34Å; L410-I412 HydrophobicContact CG-CG1 4.26Å; I412-A414 WeakPolarHBondContact CG2-O 3.47Å; I412-W415 HydrophobicContact CD1-CE3 4.32Å; I412-W415 HydrophobicContact CD1-CZ3 4.25Å; I412-W415 HydrophobicContact CG2-CB 4.24Å; I412-W415 HydrophobicContact CG2-CD2 4.44Å; I412-W415 HydrophobicContact CG2-CE3 3.86Å; I412-L422 HydrophobicContact CD1-CD1 4.01Å; I412-L422 HydrophobicContact CD1-CD2 3.88Å; I412-F425 HydrophobicContact CD1-CE2 4.26Å; I412-T444 PolarHBondContact N-O 2.87Å; I412-L445 HydrophobicContact CB-CD2 3.79Å; I412-L445 HydrophobicContact CD1-CD2 3.72Å; I412-L445 HydrophobicContact CG1-CD2 3.79Å; I412-Q446 PolarHBondContact O-N 2.88Å; I412-L448 HydrophobicContact CB-CD1 4.05Å; I412-L448 HydrophobicContact CG2-CD1 3.65Å; I412-L448 HydrophobicContact CG2-CD2 3.86Å; I412-L448 HydrophobicContact CG2-CG 4.42Å
413	S	96	Very high	96	Very high	25 Å²	25	29.3 Å²	29.3	18%	0.175	17%	0.166	C	C	.	.	S	Bend	trans	-116.2	0.7	172.9	65.6	0	0	0	0	114.3	F376 L377 Y411 Q446	F376-S413 PolarHBondContact O-N 2.98Å; F376-S413 PolarHBondContact O-OG 3.08Å; L377-S413 WeakPolarHBondContact CD2-OG 3.46Å; Y411-S413 WeakPolarHBondContact CE1-OG 3.29Å; Y411-S413 WeakPolarHBondContact OH-CB 3.42Å; S413-Q446 WeakPolarHBondContact CA-O 3.47Å
414	A	96.7	Very high	95.9	Very high	17 Å²	17	29.5 Å²	29.5	14%	0.14	17%	0.167	C	C	.	.			trans	-146.9	150.1	162.6	0	0	0	0	0	109.3	F376 P378 F381 I412	F376-A414 PolarHBondContact O-N 3.25Å; P378-A414 HydrophobicContact CB-CB 4.46Å; P378-A414 HydrophobicContact CG-CB 4.17Å; F381-A414 HydrophobicContact CD2-CB 3.78Å; F381-A414 HydrophobicContact CE2-CB 4.06Å; F381-A414 WeakPolarHBondContact CE2-O 3.28Å; I412-A414 WeakPolarHBondContact CG2-O 3.47Å
415	W	97.2	Very high	95.9	Very high	15 Å²	15	26.7 Å²	26.7	6%	0.057	15%	0.154	C	C	.	.			trans	-154.2	148.8	175.7	-161.9	-112.4	0	0	0	108.7	F376 F381 L397 I412 D417 L419 D421 L422 V424 F425 L448	F376-W415 HydrophobicContact CD1-CZ3 4.19Å; F376-W415 HydrophobicContact CD2-CZ3 4.37Å; F376-W415 HydrophobicContact CE1-CZ3 4.36Å; F376-W415 HydrophobicContact CG-CZ3 4.2Å; F381-W415 HydrophobicContact CZ-CE3 4.28Å; L397-W415 HydrophobicContact CD1-CH2 3.9Å; L397-W415 HydrophobicContact CD1-CZ2 4.09Å; L397-W415 HydrophobicContact CD1-CZ3 4.12Å; L397-W415 HydrophobicContact CD2-CZ3 4.41Å; I412-W415 HydrophobicContact CD1-CE3 4.32Å; I412-W415 HydrophobicContact CD1-CZ3 4.25Å; I412-W415 HydrophobicContact CG2-CB 4.24Å; I412-W415 HydrophobicContact CG2-CD2 4.44Å; I412-W415 HydrophobicContact CG2-CE3 3.86Å; W415-D417 PolarHBondContact O-N 3.39Å; W415-L419 HydrophobicContact CZ2-CD1 4.27Å; W415-D421 PolarHBondContact NE1-O 3.44Å; W415-L422 HydrophobicContact CD2-CD2 3.86Å; W415-L422 HydrophobicContact CE3-CD2 4.44Å; W415-L422 HydrophobicContact CG-CD2 4.13Å; W415-L422 HydrophobicContact CZ2-CD2 4Å; W415-V424 HydrophobicContact CH2-CB 4.03Å; W415-V424 HydrophobicContact CH2-CG1 4.13Å; W415-V424 HydrophobicContact CH2-CG2 4.13Å; W415-V424 HydrophobicContact CZ2-CB 3.94Å; W415-V424 HydrophobicContact CZ2-CG2 3.8Å; W415-F425 HydrophobicContact CH2-CD2 4.33Å; W415-F425 AromaticContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CZ3-CE2 4.14Å; W415-L448 HydrophobicContact CB-CD2 4.05Å
416	P	95.6	Very high	95.9	Very high	16 Å²	16	26.9 Å²	26.9	10%	0.104	16%	0.155	C	C	.	.			trans	-66.3	126.1	-179	-19.9	32.7	0	0	0	112	F381 P394 L397 S418 L419	F381-P416 HydrophobicContact CD1-CG 3.92Å; F381-P416 HydrophobicContact CE1-CG 3.65Å; F381-P416 HydrophobicContact CZ-CG 4.29Å; P394-P416 HydrophobicContact CB-CB 4.2Å; P394-P416 HydrophobicContact CB-CG 4.06Å; P394-P416 HydrophobicContact CG-CB 3.85Å; P394-P416 HydrophobicContact CG-CG 3.94Å; L397-P416 HydrophobicContact CD1-CG 3.96Å; P416-S418 PolarHBondContact O-N 3.09Å; P416-L419 HydrophobicContact CB-CG 4.43Å; P416-L419 HydrophobicContact CG-CD1 4.29Å; P416-L419 PolarHBondContact O-N 2.97Å
417	D	92	Very high	95.9	Very high	143 Å²	143	29.1 Å²	29.1	77%	0.765	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-12.7	178.9	-54.8	-80.5	0	0	0	114	W415 L419	W415-D417 PolarHBondContact O-N 3.39Å; D417-L419 VanDerWaalsContact C-N 3.26Å
418	S	93.8	Very high	96	Very high	89 Å²	89	28.8 Å²	28.8	62%	0.622	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-13.6	170.8	56.2	0	0	0	0	113.8	P416	P416-S418 PolarHBondContact O-N 3.09Å
419	L	94.9	Very high	96.2	Very high	40 Å²	40	30.7 Å²	30.7	21%	0.209	17%	0.174	C	C	.	.			trans	-106.3	114.5	177.3	-60.2	-178.5	0	0	0	109.5	P394 L397 W415 P416 D417 D421 V424	P394-L419 HydrophobicContact CB-CD1 4.49Å; L397-L419 HydrophobicContact CD1-CD1 3.9Å; W415-L419 HydrophobicContact CZ2-CD1 4.27Å; P416-L419 HydrophobicContact CB-CG 4.43Å; P416-L419 HydrophobicContact CG-CD1 4.29Å; P416-L419 PolarHBondContact O-N 2.97Å; D417-L419 VanDerWaalsContact C-N 3.26Å; L419-D421 PolarHBondContact O-N 3.27Å; L419-V424 HydrophobicContact CD1-CG2 4.44Å
420	P	95.3	Very high	96.1	Very high	58 Å²	58	28.8 Å²	28.8	38%	0.377	17%	0.167	S	C	.	.	S	Bend	trans	-74.3	-8.4	-175.7	31.8	-37	0	0	0	113.7	I450 S451 W452	P420-I450 WeakPolarHBondContact O-CA 3.39Å; P420-I450 WeakPolarHBondContact O-CB 3.41Å; P420-S451 PolarHBondContact O-N 3.07Å; P420-W452 HydrophobicContact CB-CH2 3.85Å; P420-W452 HydrophobicContact CB-CZ2 4.04Å; P420-W452 HydrophobicContact CB-CZ3 4.36Å; P420-W452 HydrophobicContact CG-CH2 4.07Å; P420-W452 HydrophobicContact CG-CZ2 3.92Å; P420-W452 PolarHBondContact O-N 3.07Å
421	D	95.9	Very high	96.1	Very high	20 Å²	20	28.8 Å²	28.8	11%	0.107	17%	0.167	C	C	.	.	S	Bend	trans	-154.6	-173.9	-174.7	70.7	13.6	0	0	0	112.7	W415 L419 S423 W452	W415-D421 PolarHBondContact NE1-O 3.44Å; L419-D421 PolarHBondContact O-N 3.27Å; D421-S423 WeakPolarHBondContact OD1-CB 3.02Å; D421-S423 PolarHBondContact OD1-N 3.4Å; D421-S423 PolarHBondContact OD1-OG 3.14Å; D421-S423 VanDerWaalsContact OD1-OG 3.08Å; D421-S423 PolarHBondContact OD2-OG 3.41Å; D421-W452 WeakPolarHBondContact CA-O 3.44Å; D421-W452 VanDerWaalsContact CB-CD1 3.48Å; D421-W452 HydrophobicContact CB-CD2 4.45Å; D421-W452 HydrophobicContact CB-CG 4.17Å; D421-W452 VanDerWaalsContact CB-NE1 3.3Å; D421-W452 WeakPolarHBondContact CB-O 3.18Å; D421-W452 PolarHBondContact OD2-NE1 2.92Å
422	L	97	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.166	C	C	.	.			trans	-101.2	31.9	175.1	-46.8	175.9	0	0	0	112.1	I412 W415 V424 F425 L445 I450 L453 L455	I412-L422 HydrophobicContact CD1-CD1 4.01Å; I412-L422 HydrophobicContact CD1-CD2 3.88Å; W415-L422 HydrophobicContact CD2-CD2 3.86Å; W415-L422 HydrophobicContact CE3-CD2 4.44Å; W415-L422 HydrophobicContact CG-CD2 4.13Å; W415-L422 HydrophobicContact CZ2-CD2 4Å; L422-V424 PolarHBondContact O-N 3.02Å; L422-F425 HydrophobicContact CB-CD2 4.49Å; L422-F425 PolarHBondContact O-N 3.27Å; L422-L445 HydrophobicContact CD1-CD1 3.81Å; L422-L445 HydrophobicContact CD1-CD2 3.67Å; L422-L445 HydrophobicContact CD1-CG 4.42Å; L422-I450 HydrophobicContact CD1-CD1 4.43Å; L422-I450 HydrophobicContact CD2-CD1 4.24Å; L422-I450 HydrophobicContact CD2-CG2 4.44Å; L422-I450 HydrophobicContact CG-CD1 4.13Å; L422-L453 VanDerWaalsContact CB-O 3.27Å; L422-L453 WeakPolarHBondContact CB-O 3.41Å; L422-L453 PolarHBondContact N-O 3.08Å; L422-L453 VanDerWaalsContact N-O 3.1Å; L422-L455 HydrophobicContact CB-CD2 3.89Å; L422-L455 HydrophobicContact CD1-CD1 4.47Å; L422-L455 HydrophobicContact CD1-CD2 4.38Å
423	S	94.2	Very high	95.7	Very high	31 Å²	31	28.9 Å²	28.9	22%	0.217	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.4	-12.6	-179.5	-78.7	0	0	0	0	114.2	D421 F425 Q426	D421-S423 WeakPolarHBondContact OD1-CB 3.02Å; D421-S423 PolarHBondContact OD1-N 3.4Å; D421-S423 PolarHBondContact OD1-OG 3.14Å; D421-S423 VanDerWaalsContact OD1-OG 3.08Å; D421-S423 PolarHBondContact OD2-OG 3.41Å; S423-F425 PolarHBondContact O-N 3.21Å; S423-Q426 WeakPolarHBondContact O-CB 3.05Å; S423-Q426 WeakPolarHBondContact O-CG 3.48Å; S423-Q426 PolarHBondContact O-N 3.3Å
424	V	95.7	Very high	95.4	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.03	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-48.8	-38.3	161.6	165.8	0	0	0	0	112.1	L397 F400 W415 L419 L422	L397-V424 HydrophobicContact CB-CG1 4.1Å; L397-V424 HydrophobicContact CB-CG2 3.77Å; L397-V424 WeakPolarHBondContact O-CG1 3.26Å; F400-V424 CarbonylContact C-O 3.54Å; F400-V424 HydrophobicContact CB-CG1 3.82Å; F400-V424 HydrophobicContact CD2-CG1 4.24Å; W415-V424 HydrophobicContact CH2-CB 4.03Å; W415-V424 HydrophobicContact CH2-CG1 4.13Å; W415-V424 HydrophobicContact CH2-CG2 4.13Å; W415-V424 HydrophobicContact CZ2-CB 3.94Å; W415-V424 HydrophobicContact CZ2-CG2 3.8Å; L419-V424 HydrophobicContact CD1-CG2 4.44Å; L422-V424 PolarHBondContact O-N 3.02Å
425	F	97.5	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-101.3	22.3	178.6	-59.2	-68.4	0	0	0	112.8	L374 F376 F400 L403 L410 I412 W415 L422 S423 N427 L428 L455	L374-F425 HydrophobicContact CD1-CE1 4.01Å; L374-F425 HydrophobicContact CD1-CZ 4.39Å; F376-F425 HydrophobicContact CE2-CE2 4.19Å; F376-F425 AromaticContact CE2-CZ 3.7Å; F376-F425 HydrophobicContact CE2-CZ 3.7Å; F376-F425 AromaticContact CZ-CZ 3.86Å; F376-F425 HydrophobicContact CZ-CZ 3.86Å; F400-F425 HydrophobicContact CB-CD1 3.94Å; F400-F425 HydrophobicContact CB-CE1 3.54Å; F400-F425 HydrophobicContact CB-CZ 4.32Å; F400-F425 HydrophobicContact CD1-CE1 4.08Å; F400-F425 HydrophobicContact CD2-CE1 4.05Å; F400-F425 HydrophobicContact CD2-CZ 4.1Å; F400-F425 AromaticContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CE1 3.63Å; F400-F425 HydrophobicContact CG-CZ 4.16Å; L403-F425 HydrophobicContact CD2-CD1 4.26Å; L403-F425 HydrophobicContact CD2-CE1 4.16Å; L410-F425 HydrophobicContact CD1-CE2 4.28Å; L410-F425 HydrophobicContact CD1-CZ 4.2Å; L410-F425 HydrophobicContact CD2-CD2 4.35Å; L410-F425 HydrophobicContact CD2-CE2 4.49Å; I412-F425 HydrophobicContact CD1-CE2 4.26Å; W415-F425 HydrophobicContact CH2-CD2 4.33Å; W415-F425 AromaticContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CH2-CE2 3.72Å; W415-F425 HydrophobicContact CZ3-CE2 4.14Å; L422-F425 HydrophobicContact CB-CD2 4.49Å; L422-F425 PolarHBondContact O-N 3.27Å; S423-F425 PolarHBondContact O-N 3.21Å; F425-N427 PolarHBondContact O-N 3.42Å; F425-L428 HydrophobicContact CB-CB 4.12Å; F425-L428 HydrophobicContact CB-CD2 4.26Å; F425-L428 WeakPolarHBondContact O-CB 3.24Å; F425-L428 PolarHBondContact O-N 3.2Å; F425-L455 HydrophobicContact CB-CD2 3.7Å
426	Q	95.3	Very high	94.8	Very high	31 Å²	31	30.7 Å²	30.7	15%	0.145	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.2	-178.1	62.3	179.7	-46.1	0	0	114.8	E401 S423 R456 S457	E401-Q426 PolarHBondContact OE1-NE2 3.32Å; S423-Q426 WeakPolarHBondContact O-CB 3.05Å; S423-Q426 WeakPolarHBondContact O-CG 3.48Å; S423-Q426 PolarHBondContact O-N 3.3Å; Q426-R456 HydrophobicContact CB-CG 4.27Å; Q426-R456 WeakPolarHBondContact O-CG 3.16Å; Q426-S457 WeakPolarHBondContact O-CB 3.5Å; Q426-S457 PolarHBondContact O-N 3.36Å; Q426-S457 PolarHBondContact O-OG 2.76Å
427	N	96.8	Very high	94.6	Very high	46 Å²	46	31.1 Å²	31.1	25%	0.246	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-1.7	-178.5	-65.1	-39.4	0	0	0	113.4	E401 L403 F425 Q429	E401-N427 WeakPolarHBondContact O-CB 3.43Å; E401-N427 PolarHBondContact O-ND2 2.94Å; L403-N427 CarbonylContact O-C 3.36Å; F425-N427 PolarHBondContact O-N 3.42Å; N427-Q429 PolarHBondContact O-N 2.77Å
428	L	98	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.			trans	-67.1	113.2	177.9	179.2	61.3	0	0	0	109.4	L403 I406 L410 F425 I431 S457 L458	L403-L428 HydrophobicContact CG-CD1 4.32Å; L403-L428 WeakPolarHBondContact O-CA 3.3Å; L403-L428 PolarHBondContact O-N 2.72Å; L403-L428 VanDerWaalsContact O-N 3.16Å; I406-L428 HydrophobicContact CD1-CD1 3.94Å; I406-L428 HydrophobicContact CD1-CD2 3.91Å; I406-L428 HydrophobicContact CG1-CD1 3.86Å; L410-L428 HydrophobicContact CD2-CD2 4.18Å; F425-L428 HydrophobicContact CB-CB 4.12Å; F425-L428 HydrophobicContact CB-CD2 4.26Å; F425-L428 WeakPolarHBondContact O-CB 3.24Å; F425-L428 PolarHBondContact O-N 3.2Å; L428-I431 HydrophobicContact CD1-CG1 4.47Å; L428-I431 HydrophobicContact CD2-CD1 4.03Å; L428-I431 HydrophobicContact CD2-CG1 3.92Å; L428-I431 HydrophobicContact CG-CG1 4.37Å; L428-S457 CarbonylContact O-C 3.6Å; L428-S457 VanDerWaalsContact O-C 3.3Å; L428-L458 WeakPolarHBondContact O-CA 3.41Å; L428-L458 PolarHBondContact O-N 3.27Å; L428-L458 VanDerWaalsContact O-N 3.09Å
429	Q	97.4	Very high	93.9	Very high	41 Å²	41	21.8 Å²	21.8	19%	0.192	12%	0.119	C	C	.	.			trans	-96.2	-34.5	-175.1	-71.3	159.3	61.9	0	0	112.5	E404 N427 S457 R459 E460	E404-Q429 VanDerWaalsContact CG-NE2 3.31Å; E404-Q429 WeakPolarHBondContact O-CB 3.27Å; E404-Q429 PolarHBondContact O-N 2.79Å; E404-Q429 PolarHBondContact OE2-NE2 3.16Å; N427-Q429 PolarHBondContact O-N 2.77Å; Q429-S457 WeakPolarHBondContact CA-O 3.39Å; Q429-R459 WeakPolarHBondContact O-CG 3.38Å; Q429-R459 PolarHBondContact O-N 3.28Å; Q429-E460 PolarHBondContact O-N 2.73Å
430	V	96.1	Very high	93.7	Very high	2 Å²	2	20 Å²	20	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	130.9	-173.9	-173.8	0	0	0	0	111.7	E404 E405 I406 R432 E460	E404-V430 PolarHBondContact O-N 2.91Å; E405-V430 WeakPolarHBondContact CA-O 3.12Å; E405-V430 HydrophobicContact CG-CB 4.25Å; I406-V430 PolarHBondContact N-O 3.15Å; V430-R432 HydrophobicContact CG1-CG 4.22Å; V430-E460 WeakPolarHBondContact CA-O 3.48Å; V430-E460 HydrophobicContact CB-CB 4.33Å; V430-E460 HydrophobicContact CG1-CB 3.91Å; V430-E460 HydrophobicContact CG1-CG 3.88Å; V430-E460 HydrophobicContact CG2-CB 4.03Å
431	I	97.7	Very high	93.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.2	158.8	-53.3	175.4	0	0	0	106.8	I406 G408 L410 L428 L443 L458 E460 L461 G462	I406-I431 HydrophobicContact CB-CG2 4.46Å; I406-I431 HydrophobicContact CG2-CG2 4.48Å; G408-I431 VanDerWaalsContact O-CG2 3.31Å; G408-I431 WeakPolarHBondContact O-CG2 3.33Å; L410-I431 HydrophobicContact CB-CD1 3.89Å; L410-I431 HydrophobicContact CD2-CD1 4.33Å; L428-I431 HydrophobicContact CD1-CG1 4.47Å; L428-I431 HydrophobicContact CD2-CD1 4.03Å; L428-I431 HydrophobicContact CD2-CG1 3.92Å; L428-I431 HydrophobicContact CG-CG1 4.37Å; I431-L443 HydrophobicContact CD1-CD1 4.26Å; I431-L458 HydrophobicContact CG1-CD1 4.31Å; I431-E460 PolarHBondContact N-O 2.9Å; I431-L461 HydrophobicContact CB-CD2 3.79Å; I431-L461 HydrophobicContact CD1-CD2 3.96Å; I431-L461 HydrophobicContact CG1-CD2 4.14Å; I431-L461 CarbonylContact O-C 3.3Å; I431-L461 WeakPolarHBondContact O-CA 3.18Å; I431-G462 PolarHBondContact O-N 2.71Å
432	R	94.2	Very high	93.6	Very high	25 Å²	25	16.7 Å²	16.7	9%	0.094	9%	0.088	C	C	.	.			trans	-70.8	-36.2	-176.4	-61.1	-78.1	173.4	-149.6	-11	111.6	N302 E405 I406 T407 V430 R434 E460 G462 S463	N302-R432 PolarHBondContact ND2-O 2.7Å; N302-R432 WeakPolarHBondContact OD1-CB 3.35Å; N302-R432 WeakPolarHBondContact OD1-CD 3.15Å; N302-R432 PolarHBondContact OD1-O 2.58Å; E405-R432 HydrophobicContact CG-CG 4.22Å; E405-R432 IonicContact OE1-CZ 3.78Å; E405-R432 IonicContact OE1-NE 3.61Å; E405-R432 PolarHBondContact OE1-NE 3.34Å; E405-R432 IonicContact OE1-NH2 3.73Å; E405-R432 IonicContact OE2-CZ 3.53Å; E405-R432 IonicContact OE2-NE 2.72Å; E405-R432 PolarHBondContact OE2-NE 2.04Å; E405-R432 IonicContact OE2-NH2 3.63Å; E405-R432 PolarHBondContact OE2-NH2 2.76Å; I406-R432 PolarHBondContact O-N 3.44Å; T407-R432 WeakPolarHBondContact O-CB 3.46Å; V430-R432 HydrophobicContact CG1-CG 4.22Å; R432-R434 VanDerWaalsContact C-N 3.32Å; R432-R434 HydrophobicContact CB-CG 4.03Å; R432-R434 PolarHBondContact O-N 2.91Å; R432-E460 IonicContact CZ-OE1 2.75Å; R432-E460 IonicContact NH1-OE1 3.87Å; R432-E460 PolarHBondContact NH1-OE1 2.03Å; R432-G462 CarbonylContact O-C 3.54Å; R432-G462 WeakPolarHBondContact O-CA 3.05Å; R432-S463 PolarHBondContact O-N 3.15Å
433	G	92.9	Very high	93.7	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.021	9%	0.088	C	C	.	.			trans	65.8	32.2	-177.5	0	0	0	0	0	113.5	T407 G408 I435 L436 S463	T407-G433 PolarHBondContact O-N 2.99Å; G408-G433 VanDerWaalsContact O-CA 3.27Å; G408-G433 WeakPolarHBondContact O-CA 3.42Å; G408-G433 PolarHBondContact O-N 2.84Å; G433-I435 VanDerWaalsContact C-N 3.3Å; G433-I435 CarbonylContact C-O 3.5Å; G433-L436 WeakPolarHBondContact O-CD2 3.44Å; G433-L436 WeakPolarHBondContact O-CG 3.28Å; G433-S463 WeakPolarHBondContact O-CB 3.05Å
434	R	89.6	Confident	93.8	Very high	15 Å²	15	15.2 Å²	15.2	6%	0.057	8%	0.078	C	C	.	.	S	Bend	trans	-74.8	-24.5	174.1	-62.3	-164.6	-148	129.4	3.6	112.5	N302 L313 E321 T407 R432	N302-R434 WeakPolarHBondContact O-CD 3.26Å; N302-R434 PolarHBondContact O-NE 3.38Å; L313-R434 HydrophobicContact CB-CB 4.25Å; L313-R434 HydrophobicContact CD2-CB 3.92Å; L313-R434 HydrophobicContact CD2-CG 4.07Å; L313-R434 WeakPolarHBondContact O-CD 3.17Å; L313-R434 PolarHBondContact O-NH1 3.47Å; E321-R434 VanDerWaalsContact CD-NH1 3.33Å; E321-R434 IonicContact OE1-CZ 2.79Å; E321-R434 IonicContact OE1-NH1 3.49Å; E321-R434 PolarHBondContact OE1-NH1 3.42Å; E321-R434 IonicContact OE1-NH2 3.85Å; E321-R434 IonicContact OE2-CZ 3.83Å; E321-R434 IonicContact OE2-NH1 2.63Å; E321-R434 PolarHBondContact OE2-NH1 3.13Å; E321-R434 IonicContact OE2-NH2 2.62Å; E321-R434 PolarHBondContact OE2-NH2 3.03Å; T407-R434 WeakPolarHBondContact O-CB 3.18Å; T407-R434 PolarHBondContact O-N 3.02Å; R432-R434 VanDerWaalsContact C-N 3.32Å; R432-R434 HydrophobicContact CB-CG 4.03Å; R432-R434 PolarHBondContact O-N 2.91Å
435	I	89.4	Confident	93.9	Very high	59 Å²	59	15 Å²	15	30%	0.303	8%	0.077	S	C	.	.	S	Bend	trans	-113.5	137.9	161.6	-56.3	167.8	0	0	0	105.5	M347 G408 Y409 G433	M347-I435 HydrophobicContact CG-CD1 4.47Å; M347-I435 HydrophobicContact SD-CD1 3.96Å; G408-I435 CarbonylContact C-O 3.1Å; G408-I435 VanDerWaalsContact C-O 3.24Å; G408-I435 WeakPolarHBondContact CA-O 3.22Å; Y409-I435 HydrophobicContact CD1-CG2 4.12Å; Y409-I435 HydrophobicContact CE1-CG2 4.08Å; Y409-I435 PolarHBondContact N-O 2.03Å; G433-I435 VanDerWaalsContact C-N 3.3Å; G433-I435 CarbonylContact C-O 3.5Å
436	L	91.1	Very high	93.8	Very high	22 Å²	22	17 Å²	17	12%	0.115	9%	0.086	C	C	.	.			trans	-125.8	137.7	-174.2	-64.9	177.6	0	0	0	111	T27 Y409 G433 N438 G439 Y441	T27-L436 HydrophobicContact CG2-CD1 4.16Å; Y409-L436 VanDerWaalsContact CD1-C 3.47Å; G433-L436 WeakPolarHBondContact O-CD2 3.44Å; G433-L436 WeakPolarHBondContact O-CG 3.28Å; L436-N438 PolarHBondContact O-N 2.96Å; L436-G439 VanDerWaalsContact CB-C 3.42Å; L436-G439 VanDerWaalsContact CD1-O 3.32Å; L436-G439 WeakPolarHBondContact CD1-O 3.1Å; L436-G439 PolarHBondContact O-N 2.79Å; L436-Y441 CarbonylContact C-O 3.16Å; L436-Y441 WeakPolarHBondContact CA-O 3.41Å
437	H	91.5	Very high	93.8	Very high	25 Å²	25	18.2 Å²	18.2	12%	0.116	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-64.6	127.5	174.2	176.7	-114.9	0	0	0	109.5	Y409 Y411 G439 A440 Y441	Y409-H437 HydrophobicContact CD1-CB 4.12Å; Y409-H437 HydrophobicContact CD2-CB 3.79Å; Y409-H437 HydrophobicContact CE1-CB 4.2Å; Y409-H437 HydrophobicContact CE2-CB 3.9Å; Y409-H437 HydrophobicContact CG-CB 3.91Å; Y411-H437 HydrophobicContact CD2-CB 4.5Å; Y411-H437 AromaticContact CD2-CD2 3.93Å; Y411-H437 AromaticContact CD2-CE1 3.44Å; Y411-H437 VanDerWaalsContact CD2-CE1 3.44Å; Y411-H437 WeakPolarHBondContact CD2-CE1 3.48Å; Y411-H437 AromaticContact CD2-CG 3.68Å; Y411-H437 AromaticContact CD2-ND1 3.36Å; Y411-H437 WeakPolarHBondContact CD2-ND1 3.02Å; Y411-H437 AromaticContact CD2-NE2 3.82Å; Y411-H437 AromaticContact CE2-CE1 3.18Å; Y411-H437 WeakPolarHBondContact CE2-CE1 3.39Å; Y411-H437 AromaticContact CE2-ND1 3.54Å; Y411-H437 AromaticContact CE2-NE2 3.72Å; H437-G439 PolarHBondContact O-N 2.9Å; H437-G439 VanDerWaalsContact O-N 3.08Å; H437-A440 PolarHBondContact O-N 2.9Å; H437-Y441 PolarHBondContact N-O 3.03Å; H437-Y441 PolarHBondContact O-N 2.99Å
438	N	87.5	Confident	93.8	Very high	22 Å²	22	16.1 Å²	16.1	12%	0.118	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	24.1	-168.9	-66.6	-25.1	0	0	0	114.1	D30 M31 R34 L436 A440	D30-N438 CarbonylContact C-O 3.48Å; D30-N438 PolarHBondContact N-O 3.09Å; D30-N438 CarbonylContact O-C 3.2Å; D30-N438 WeakPolarHBondContact O-CA 3.32Å; M31-N438 HydrophobicContact CB-CB 4.14Å; M31-N438 PolarHBondContact N-O 3.42Å; R34-N438 PolarHBondContact NH1-OD1 2.85Å; R34-N438 PolarHBondContact NH2-OD1 3.32Å; L436-N438 PolarHBondContact O-N 2.96Å; N438-A440 PolarHBondContact O-N 3.34Å
439	G	84.7	Confident	93.5	Very high	13 Å²	13	17.4 Å²	17.4	13%	0.134	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	-4.3	-174.5	0	0	0	0	0	115.7	G28 L436 H437	G28-G439 VanDerWaalsContact O-O 3.13Å; L436-G439 VanDerWaalsContact CB-C 3.42Å; L436-G439 VanDerWaalsContact CD1-O 3.32Å; L436-G439 WeakPolarHBondContact CD1-O 3.1Å; L436-G439 PolarHBondContact O-N 2.79Å; H437-G439 PolarHBondContact O-N 2.9Å; H437-G439 VanDerWaalsContact O-N 3.08Å
440	A	89.3	Confident	93.5	Very high	2 Å²	2	15.6 Å²	15.6	2%	0.017	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-35.1	-172.3	0	0	0	0	0	114.8	M45 H437 N438 G464 L465	M45-A440 HydrophobicContact CE-CB 4.46Å; M45-A440 HydrophobicContact CG-CB 4.19Å; M45-A440 HydrophobicContact SD-CB 3.84Å; H437-A440 PolarHBondContact O-N 2.9Å; N438-A440 PolarHBondContact O-N 3.34Å; A440-G464 WeakPolarHBondContact O-CA 3.45Å; A440-L465 WeakPolarHBondContact O-CD1 3.44Å; A440-L465 PolarHBondContact O-N 3.17Å
441	Y	94.5	Very high	93.5	Very high	10 Å²	10	17.2 Å²	17.2	4%	0.039	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.2	-166.7	-55.2	-73	0	0	0	113.3	M45 L436 H437 T444 L465 L467 L494	M45-Y441 HydrophobicContact CG-CE1 4.22Å; L436-Y441 CarbonylContact C-O 3.16Å; L436-Y441 WeakPolarHBondContact CA-O 3.41Å; H437-Y441 PolarHBondContact N-O 3.03Å; H437-Y441 PolarHBondContact O-N 2.99Å; Y441-T444 VanDerWaalsContact CB-OG1 3.27Å; Y441-T444 WeakPolarHBondContact CB-OG1 3.42Å; Y441-L465 VanDerWaalsContact CA-O 3.31Å; Y441-L465 WeakPolarHBondContact CA-O 3.46Å; Y441-L465 HydrophobicContact CD1-CB 3.82Å; Y441-L465 HydrophobicContact CE1-CB 4.05Å; Y441-L467 HydrophobicContact CD1-CB 3.67Å; Y441-L467 HydrophobicContact CE1-CB 3.72Å; Y441-L467 HydrophobicContact CE1-CD2 4.15Å; Y441-L467 HydrophobicContact CE1-CG 4.44Å; Y441-L467 HydrophobicContact CE2-CD2 4.12Å; Y441-L467 HydrophobicContact CG-CB 4.28Å; Y441-L494 HydrophobicContact CE1-CD1 4.09Å
442	S	96.3	Very high	93.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-26.8	173.2	50.9	0	0	0	0	112.7	Y409 L410 S463 G464 L465	Y409-S442 CarbonylContact C-O 3.45Å; Y409-S442 VanDerWaalsContact CA-O 3.28Å; Y409-S442 WeakPolarHBondContact CA-O 3.43Å; Y409-S442 WeakPolarHBondContact CB-O 3.3Å; L410-S442 PolarHBondContact N-O 2.9Å; S442-S463 WeakPolarHBondContact CB-O 3.25Å; S442-S463 PolarHBondContact OG-O 2.82Å; S442-G464 PolarHBondContact OG-O 3.27Å; S442-L465 PolarHBondContact N-O 2.83Å
443	L	97.8	Very high	93.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132	169.1	-179.8	62.3	0	0	0	108.9	L410 I431 L445 A466 L467 W482	L410-L443 HydrophobicContact CB-CD1 4.14Å; L410-L443 HydrophobicContact CD2-CD1 4.03Å; L410-L443 HydrophobicContact CG-CD1 4.2Å; L410-L443 CarbonylContact O-C 3.53Å; L410-L443 WeakPolarHBondContact O-CA 3.03Å; I431-L443 HydrophobicContact CD1-CD1 4.26Å; L443-L445 HydrophobicContact CD1-CD2 4.14Å; L443-L445 HydrophobicContact CD1-CG 4.16Å; L443-L445 HydrophobicContact CG-CG 4.39Å; L443-A466 HydrophobicContact CB-CB 4.31Å; L443-A466 WeakPolarHBondContact O-CA 3.07Å; L443-L467 PolarHBondContact O-N 2.84Å; L443-W482 HydrophobicContact CD2-CH2 4.04Å; L443-W482 HydrophobicContact CD2-CZ3 4.05Å
444	T	97.5	Very high	93.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.1	170.8	-55.7	0	0	0	0	110.8	L410 Y411 I412 Y441 L467	L410-T444 PolarHBondContact O-N 3.05Å; Y411-T444 HydrophobicContact CD2-CG2 3.75Å; Y411-T444 HydrophobicContact CE2-CG2 3.61Å; I412-T444 PolarHBondContact N-O 2.87Å; Y441-T444 VanDerWaalsContact CB-OG1 3.27Å; Y441-T444 WeakPolarHBondContact CB-OG1 3.42Å; T444-L467 CarbonylContact C-O 3.56Å; T444-L467 VanDerWaalsContact CA-O 3.24Å; T444-L467 WeakPolarHBondContact CA-O 3.03Å; T444-L467 HydrophobicContact CG2-CB 4.15Å; T444-L467 HydrophobicContact CG2-CD2 4.02Å; T444-L467 HydrophobicContact CG2-CG 4.17Å
445	L	97.3	Very high	94.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	112.3	179.9	-56.6	177.9	0	0	0	108.6	I412 L422 L443 L448 L453 L467 I468 H469 N471	I412-L445 HydrophobicContact CB-CD2 3.79Å; I412-L445 HydrophobicContact CD1-CD2 3.72Å; I412-L445 HydrophobicContact CG1-CD2 3.79Å; L422-L445 HydrophobicContact CD1-CD1 3.81Å; L422-L445 HydrophobicContact CD1-CD2 3.67Å; L422-L445 HydrophobicContact CD1-CG 4.42Å; L443-L445 HydrophobicContact CD1-CD2 4.14Å; L443-L445 HydrophobicContact CD1-CG 4.16Å; L443-L445 HydrophobicContact CG-CG 4.39Å; L445-L448 HydrophobicContact CB-CD1 4.14Å; L445-L448 HydrophobicContact CD2-CD1 4.25Å; L445-L453 HydrophobicContact CD1-CD2 3.45Å; L445-L453 VanDerWaalsContact CD1-CD2 3.45Å; L445-L467 PolarHBondContact N-O 2.84Å; L445-I468 HydrophobicContact CB-CG1 4.35Å; L445-I468 HydrophobicContact CB-CG2 4.44Å; L445-I468 HydrophobicContact CD1-CD1 4.15Å; L445-I468 HydrophobicContact CD1-CG1 4.25Å; L445-I468 HydrophobicContact CG-CG1 4.48Å; L445-I468 WeakPolarHBondContact O-CA 3.43Å; L445-H469 PolarHBondContact O-N 3.37Å; L445-N471 PolarHBondContact O-ND2 2.73Å
446	Q	95.5	Very high	94.3	Very high	43 Å²	43	17.7 Å²	17.7	20%	0.201	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.9	-172.6	62.9	170	98.8	0	0	114.3	Y411 I412 S413 L448 H469	Y411-Q446 PolarHBondContact OH-OE1 2.89Å; I412-Q446 PolarHBondContact O-N 2.88Å; S413-Q446 WeakPolarHBondContact CA-O 3.47Å; Q446-L448 VanDerWaalsContact C-N 3.29Å; Q446-L448 VanDerWaalsContact O-CD2 3.27Å; Q446-L448 WeakPolarHBondContact O-CD2 3.32Å; Q446-L448 PolarHBondContact O-N 3.11Å; Q446-H469 VanDerWaalsContact CA-O 3.29Å; Q446-H469 WeakPolarHBondContact CA-O 3.4Å; Q446-H469 VanDerWaalsContact CB-NE2 3.28Å; Q446-H469 WeakPolarHBondContact CB-NE2 3.48Å
447	G	94.5	Very high	94.6	Very high	55 Å²	55	17.9 Å²	17.9	57%	0.567	11%	0.112	S	C	*	.	S	Bend	trans	69.3	20.7	174.1	0	0	0	0	0	115.2	H469 H470 N471	G447-H469 PolarHBondContact N-O 2.86Å; G447-H470 WeakPolarHBondContact CA-O 3.34Å; G447-N471 PolarHBondContact N-OD1 3.45Å
448	L	96.3	Very high	94.9	Very high	3 Å²	3	17 Å²	17	2%	0.016	11%	0.108	C	C	.	.			trans	-94.2	140.5	-171.3	-48.1	-177.5	0	0	0	112.3	I412 W415 L445 Q446 I450 N471	I412-L448 HydrophobicContact CB-CD1 4.05Å; I412-L448 HydrophobicContact CG2-CD1 3.65Å; I412-L448 HydrophobicContact CG2-CD2 3.86Å; I412-L448 HydrophobicContact CG2-CG 4.42Å; W415-L448 HydrophobicContact CB-CD2 4.05Å; L445-L448 HydrophobicContact CB-CD1 4.14Å; L445-L448 HydrophobicContact CD2-CD1 4.25Å; Q446-L448 VanDerWaalsContact C-N 3.29Å; Q446-L448 VanDerWaalsContact O-CD2 3.27Å; Q446-L448 WeakPolarHBondContact O-CD2 3.32Å; Q446-L448 PolarHBondContact O-N 3.11Å; L448-I450 HydrophobicContact CB-CD1 4.41Å; L448-I450 HydrophobicContact CB-CG1 3.93Å; L448-I450 HydrophobicContact CD1-CD1 4.13Å; L448-I450 PolarHBondContact O-N 3.32Å; L448-N471 VanDerWaalsContact CB-OD1 3.32Å; L448-N471 WeakPolarHBondContact CB-OD1 2.99Å; L448-N471 WeakPolarHBondContact CG-OD1 3.02Å; L448-N471 PolarHBondContact N-OD1 2.91Å; L448-N471 WeakPolarHBondContact O-CA 3.42Å
449	G	92.8	Very high	95.2	Very high	27 Å²	27	22.2 Å²	22.2	28%	0.278	13%	0.126	S	C	.	.			trans	-75	0.5	175.7	0	0	0	0	0	115.7
450	I	96.8	Very high	95.8	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	13%	0.126	C	C	.	.			trans	-61.4	149.2	-176.6	59.9	171.9	0	0	0	113.1	P420 L422 L448 L453 H473 L474	P420-I450 WeakPolarHBondContact O-CA 3.39Å; P420-I450 WeakPolarHBondContact O-CB 3.41Å; L422-I450 HydrophobicContact CD1-CD1 4.43Å; L422-I450 HydrophobicContact CD2-CD1 4.24Å; L422-I450 HydrophobicContact CD2-CG2 4.44Å; L422-I450 HydrophobicContact CG-CD1 4.13Å; L448-I450 HydrophobicContact CB-CD1 4.41Å; L448-I450 HydrophobicContact CB-CG1 3.93Å; L448-I450 HydrophobicContact CD1-CD1 4.13Å; L448-I450 PolarHBondContact O-N 3.32Å; I450-L453 HydrophobicContact CD1-CD2 4.24Å; I450-H473 CarbonylContact O-C 3.34Å; I450-L474 HydrophobicContact CD1-CD1 4.15Å; I450-L474 HydrophobicContact CG1-CD1 4.16Å; I450-L474 VanDerWaalsContact O-CA 3.32Å; I450-L474 WeakPolarHBondContact O-CA 3.32Å; I450-L474 PolarHBondContact O-N 3.12Å
451	S	96.4	Very high	96.1	Very high	37 Å²	37	22.8 Å²	22.8	26%	0.259	13%	0.125	S	C	.	.	S	Bend	trans	-99.5	-25.3	-179.2	-63.5	0	0	0	0	113.7	P420 H473 C475	P420-S451 PolarHBondContact O-N 3.07Å; S451-H473 WeakPolarHBondContact CA-O 3.34Å; S451-C475 PolarHBondContact O-N 2.86Å
452	W	97.3	Very high	95.9	Very high	54 Å²	54	22.4 Å²	22.4	21%	0.205	12%	0.124	C	C	.	.			trans	-151.1	171.9	172	58.8	86.3	0	0	0	110.5	P420 D421 F476 P523	P420-W452 HydrophobicContact CB-CH2 3.85Å; P420-W452 HydrophobicContact CB-CZ2 4.04Å; P420-W452 HydrophobicContact CB-CZ3 4.36Å; P420-W452 HydrophobicContact CG-CH2 4.07Å; P420-W452 HydrophobicContact CG-CZ2 3.92Å; P420-W452 PolarHBondContact O-N 3.07Å; D421-W452 WeakPolarHBondContact CA-O 3.44Å; D421-W452 VanDerWaalsContact CB-CD1 3.48Å; D421-W452 HydrophobicContact CB-CD2 4.45Å; D421-W452 HydrophobicContact CB-CG 4.17Å; D421-W452 VanDerWaalsContact CB-NE1 3.3Å; D421-W452 WeakPolarHBondContact CB-O 3.18Å; D421-W452 PolarHBondContact OD2-NE1 2.92Å; W452-F476 HydrophobicContact CB-CB 4.45Å; W452-F476 HydrophobicContact CB-CD2 3.66Å; W452-F476 HydrophobicContact CB-CE2 4.28Å; W452-F476 HydrophobicContact CB-CG 4.34Å; W452-P523 HydrophobicContact CD2-CG 3.94Å; W452-P523 HydrophobicContact CE3-CG 3.9Å; W452-P523 HydrophobicContact CH2-CG 4.23Å; W452-P523 HydrophobicContact CZ2-CG 4.25Å; W452-P523 HydrophobicContact CZ3-CG 4.05Å
453	L	97	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.			trans	-83.5	-44.7	-173.8	-66.3	-178.5	0	0	0	113.3	L422 L445 I450 L455 I468 L474 V480 W482 W521	L422-L453 VanDerWaalsContact CB-O 3.27Å; L422-L453 WeakPolarHBondContact CB-O 3.41Å; L422-L453 PolarHBondContact N-O 3.08Å; L422-L453 VanDerWaalsContact N-O 3.1Å; L445-L453 HydrophobicContact CD1-CD2 3.45Å; L445-L453 VanDerWaalsContact CD1-CD2 3.45Å; I450-L453 HydrophobicContact CD1-CD2 4.24Å; L453-L455 HydrophobicContact CB-CG 4.48Å; L453-L455 PolarHBondContact O-N 2.83Å; L453-I468 HydrophobicContact CD1-CD1 4.12Å; L453-L474 HydrophobicContact CD2-CD1 3.92Å; L453-L474 HydrophobicContact CD2-CD2 4.04Å; L453-L474 HydrophobicContact CG-CD1 4.21Å; L453-V480 HydrophobicContact CD1-CG2 4.47Å; L453-W482 HydrophobicContact CD1-CH2 4.19Å; L453-W482 HydrophobicContact CD1-CZ2 3.94Å; L453-W521 HydrophobicContact CB-CE3 3.97Å; L453-W521 HydrophobicContact CD1-CE3 3.99Å; L453-W521 HydrophobicContact CD1-CZ3 3.92Å; L453-W521 PolarHBondContact N-O 2.89Å
454	G	95.7	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.			trans	73.3	3.4	177.9	0	0	0	0	0	116.1	R456 W521	G454-R456 PolarHBondContact O-N 3.3Å; G454-W521 PolarHBondContact N-O 2.87Å
455	L	96.9	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.134	C	C	.	.			trans	-76.4	47.1	-177.1	-57.9	179	0	0	0	113.3	L422 F425 L453 S457 L458 W521	L422-L455 HydrophobicContact CB-CD2 3.89Å; L422-L455 HydrophobicContact CD1-CD1 4.47Å; L422-L455 HydrophobicContact CD1-CD2 4.38Å; F425-L455 HydrophobicContact CB-CD2 3.7Å; L453-L455 HydrophobicContact CB-CG 4.48Å; L453-L455 PolarHBondContact O-N 2.83Å; L455-S457 VanDerWaalsContact C-N 3.26Å; L455-S457 PolarHBondContact O-N 2.86Å; L455-L458 HydrophobicContact CB-CB 4.17Å; L455-L458 HydrophobicContact CB-CD2 4.35Å; L455-L458 HydrophobicContact CD1-CD2 4.02Å; L455-L458 VanDerWaalsContact O-CB 3.26Å; L455-L458 WeakPolarHBondContact O-CB 3.3Å; L455-L458 PolarHBondContact O-N 2.92Å; L455-W521 HydrophobicContact CB-CD2 4.29Å; L455-W521 HydrophobicContact CB-CE3 3.9Å; L455-W521 HydrophobicContact CB-CH2 4.41Å; L455-W521 HydrophobicContact CB-CZ3 3.98Å; L455-W521 HydrophobicContact CD1-CZ3 4.42Å
456	R	94.7	Very high	95.1	Very high	57 Å²	57	23.8 Å²	23.8	22%	0.215	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.2	-164.9	59.6	178.9	176.9	165.4	-3.2	116.4	Q426 G454 T526	Q426-R456 HydrophobicContact CB-CG 4.27Å; Q426-R456 WeakPolarHBondContact O-CG 3.16Å; G454-R456 PolarHBondContact O-N 3.3Å; R456-T526 WeakPolarHBondContact CD-O 3.37Å
457	S	96.3	Very high	95.1	Very high	26 Å²	26	21.7 Å²	21.7	18%	0.182	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.4	-179.7	-59.7	0	0	0	0	114.4	Q426 L428 Q429 L455 R459	Q426-S457 WeakPolarHBondContact O-CB 3.5Å; Q426-S457 PolarHBondContact O-N 3.36Å; Q426-S457 PolarHBondContact O-OG 2.76Å; L428-S457 CarbonylContact O-C 3.6Å; L428-S457 VanDerWaalsContact O-C 3.3Å; Q429-S457 WeakPolarHBondContact CA-O 3.39Å; L455-S457 VanDerWaalsContact C-N 3.26Å; L455-S457 PolarHBondContact O-N 2.86Å; S457-R459 PolarHBondContact O-N 3.18Å
458	L	97.3	Very high	95.2	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.026	10%	0.097	C	C	.	.			trans	-69.8	116.2	-171.2	-175.9	60.7	0	0	0	110.6	L428 I431 L455 L461 L485 W521	L428-L458 WeakPolarHBondContact O-CA 3.41Å; L428-L458 PolarHBondContact O-N 3.27Å; L428-L458 VanDerWaalsContact O-N 3.09Å; I431-L458 HydrophobicContact CG1-CD1 4.31Å; L455-L458 HydrophobicContact CB-CB 4.17Å; L455-L458 HydrophobicContact CB-CD2 4.35Å; L455-L458 HydrophobicContact CD1-CD2 4.02Å; L455-L458 VanDerWaalsContact O-CB 3.26Å; L455-L458 WeakPolarHBondContact O-CB 3.3Å; L455-L458 PolarHBondContact O-N 2.92Å; L458-L461 HydrophobicContact CD1-CD2 4.36Å; L458-L461 HydrophobicContact CD2-CD2 4.29Å; L458-L485 VanDerWaalsContact O-CD2 3.3Å; L458-L485 WeakPolarHBondContact O-CD2 3.17Å; L458-W521 HydrophobicContact CB-CH2 4.09Å; L458-W521 HydrophobicContact CB-CZ2 3.88Å; L458-W521 HydrophobicContact CD2-CH2 3.84Å; L458-W521 HydrophobicContact CD2-CZ2 4.46Å; L458-W521 HydrophobicContact CG-CH2 4.24Å; L458-W521 HydrophobicContact CG-CZ2 4.39Å; L458-W521 WeakPolarHBondContact O-CZ2 3.42Å
459	R	95.2	Very high	95.2	Very high	133 Å²	133	19.1 Å²	19.1	50%	0.502	10%	0.097	S	C	.	.			trans	-119.5	-6.7	-176.5	59.1	163.6	179.6	-95.1	-6.6	114.2	Q429 S457 R487	Q429-R459 WeakPolarHBondContact O-CG 3.38Å; Q429-R459 PolarHBondContact O-N 3.28Å; S457-R459 PolarHBondContact O-N 3.18Å; R459-R487 PolarHBondContact O-NH2 2.64Å
460	E	95.5	Very high	95.3	Very high	27 Å²	27	22.1 Å²	22.1	13%	0.126	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	124.4	-168.7	-172.2	155.8	102.5	0	0	112.8	Y301 Q429 V430 I431 R432 L485 R487	Y301-E460 PolarHBondContact OH-OE1 3.4Å; Y301-E460 PolarHBondContact OH-OE2 3.4Å; Q429-E460 PolarHBondContact O-N 2.73Å; V430-E460 WeakPolarHBondContact CA-O 3.48Å; V430-E460 HydrophobicContact CB-CB 4.33Å; V430-E460 HydrophobicContact CG1-CB 3.91Å; V430-E460 HydrophobicContact CG1-CG 3.88Å; V430-E460 HydrophobicContact CG2-CB 4.03Å; I431-E460 PolarHBondContact N-O 2.9Å; R432-E460 IonicContact CZ-OE1 2.75Å; R432-E460 IonicContact NH1-OE1 3.87Å; R432-E460 PolarHBondContact NH1-OE1 2.03Å; E460-L485 WeakPolarHBondContact CA-O 3.27Å; E460-R487 HydrophobicContact CG-CG 4.2Å; E460-R487 IonicContact OE2-CZ 2.66Å; E460-R487 IonicContact OE2-NE 2.73Å; E460-R487 PolarHBondContact OE2-NE 3.21Å; E460-R487 IonicContact OE2-NH2 3.85Å; E460-R487 PolarHBondContact OE2-NH2 3.01Å
461	L	95.9	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	96	162.3	-64.7	-178.6	0	0	0	106.8	I431 L458 S463 A466 W482 L485 F486 Q491	I431-L461 HydrophobicContact CB-CD2 3.79Å; I431-L461 HydrophobicContact CD1-CD2 3.96Å; I431-L461 HydrophobicContact CG1-CD2 4.14Å; I431-L461 CarbonylContact O-C 3.3Å; I431-L461 WeakPolarHBondContact O-CA 3.18Å; L458-L461 HydrophobicContact CD1-CD2 4.36Å; L458-L461 HydrophobicContact CD2-CD2 4.29Å; L461-S463 VanDerWaalsContact C-N 3.28Å; L461-S463 PolarHBondContact O-N 3.25Å; L461-A466 HydrophobicContact CD1-CB 4.24Å; L461-W482 HydrophobicContact CD1-CE3 4.21Å; L461-W482 HydrophobicContact CD1-CZ3 4.02Å; L461-L485 HydrophobicContact CG-CB 4.35Å; L461-L485 PolarHBondContact N-O 2.94Å; L461-F486 HydrophobicContact CB-CD1 4.11Å; L461-F486 HydrophobicContact CB-CE1 4.41Å; L461-F486 HydrophobicContact CD1-CD1 4.19Å; L461-F486 HydrophobicContact CD1-CE1 3.7Å; L461-Q491 PolarHBondContact O-NE2 3.16Å; L461-Q491 PolarHBondContact O-OE1 3.27Å
462	G	91.7	Very high	95.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.116	C	C	.	.			trans	-66.9	-25.2	-166.6	0	0	0	0	0	115	Y301 I431 R432	Y301-G462 WeakPolarHBondContact CE1-O 3.49Å; I431-G462 PolarHBondContact O-N 2.71Å; R432-G462 CarbonylContact O-C 3.54Å; R432-G462 WeakPolarHBondContact O-CA 3.05Å
463	S	90.9	Very high	95.1	Very high	22 Å²	22	26.5 Å²	26.5	15%	0.154	13%	0.128	C	C	.	.	S	Bend	trans	-159.3	175.4	173.5	-169.9	0	0	0	0	109.8	R432 G433 S442 L461 Q491	R432-S463 PolarHBondContact O-N 3.15Å; G433-S463 WeakPolarHBondContact O-CB 3.05Å; S442-S463 WeakPolarHBondContact CB-O 3.25Å; S442-S463 PolarHBondContact OG-O 2.82Å; L461-S463 VanDerWaalsContact C-N 3.28Å; L461-S463 PolarHBondContact O-N 3.25Å; S463-Q491 PolarHBondContact O-NE2 3.09Å
464	G	90.2	Very high	95.1	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	13%	0.129	C	C	.	.	S	Bend	trans	73.6	160	179.5	0	0	0	0	0	114.8	A440 S442 Q491	A440-G464 WeakPolarHBondContact O-CA 3.45Å; S442-G464 PolarHBondContact OG-O 3.27Å; G464-Q491 VanDerWaalsContact O-CG 3.31Å; G464-Q491 WeakPolarHBondContact O-CG 3.42Å; G464-Q491 PolarHBondContact O-NE2 3.17Å
465	L	93.3	Very high	95.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	158.6	174	-65.3	88	0	0	0	110.7	M45 H48 A440 Y441 S442 A492 L494	M45-L465 HydrophobicContact CG-CD1 4.45Å; M45-L465 HydrophobicContact CG-CD2 4.17Å; H48-L465 HydrophobicContact CB-CD2 4.33Å; A440-L465 WeakPolarHBondContact O-CD1 3.44Å; A440-L465 PolarHBondContact O-N 3.17Å; Y441-L465 VanDerWaalsContact CA-O 3.31Å; Y441-L465 WeakPolarHBondContact CA-O 3.46Å; Y441-L465 HydrophobicContact CD1-CB 3.82Å; Y441-L465 HydrophobicContact CE1-CB 4.05Å; S442-L465 PolarHBondContact N-O 2.83Å; L465-A492 HydrophobicContact CD2-CB 4.29Å; L465-L494 HydrophobicContact CD2-CD1 3.95Å; L465-L494 HydrophobicContact CD2-CD2 4.5Å; L465-L494 HydrophobicContact CD2-CG 4.11Å
466	A	96.6	Very high	95.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.4	167.5	0	0	0	0	0	109.5	L443 L461 W482 F486 A492 L493 L494	L443-A466 HydrophobicContact CB-CB 4.31Å; L443-A466 WeakPolarHBondContact O-CA 3.07Å; L461-A466 HydrophobicContact CD1-CB 4.24Å; A466-W482 HydrophobicContact CB-CE3 4.22Å; A466-W482 HydrophobicContact CB-CZ3 3.98Å; A466-F486 HydrophobicContact CB-CE1 4.39Å; A466-F486 HydrophobicContact CB-CZ 4.34Å; A466-A492 PolarHBondContact N-O 3.44Å; A466-L493 HydrophobicContact CB-CD1 3.97Å; A466-L494 PolarHBondContact O-N 3.09Å
467	L	96.4	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.4	176.3	174.5	60.5	0	0	0	110.1	A37 Y441 L443 T444 L445 H469 L494	A37-L467 HydrophobicContact CB-CD2 4.05Å; Y441-L467 HydrophobicContact CD1-CB 3.67Å; Y441-L467 HydrophobicContact CE1-CB 3.72Å; Y441-L467 HydrophobicContact CE1-CD2 4.15Å; Y441-L467 HydrophobicContact CE1-CG 4.44Å; Y441-L467 HydrophobicContact CE2-CD2 4.12Å; Y441-L467 HydrophobicContact CG-CB 4.28Å; L443-L467 PolarHBondContact O-N 2.84Å; T444-L467 CarbonylContact C-O 3.56Å; T444-L467 VanDerWaalsContact CA-O 3.24Å; T444-L467 WeakPolarHBondContact CA-O 3.03Å; T444-L467 HydrophobicContact CG2-CB 4.15Å; T444-L467 HydrophobicContact CG2-CD2 4.02Å; T444-L467 HydrophobicContact CG2-CG 4.17Å; L445-L467 PolarHBondContact N-O 2.84Å; L467-H469 HydrophobicContact CD1-CB 4.26Å; L467-L494 WeakPolarHBondContact CA-O 3.45Å; L467-L494 HydrophobicContact CD1-CB 4.04Å
468	I	96.6	Very high	95	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	102.5	-179.8	-57.8	-176.7	0	0	0	108.1	L445 L453 L474 V477 W482 L493 L494 H495 N498	L445-I468 HydrophobicContact CB-CG1 4.35Å; L445-I468 HydrophobicContact CB-CG2 4.44Å; L445-I468 HydrophobicContact CD1-CD1 4.15Å; L445-I468 HydrophobicContact CD1-CG1 4.25Å; L445-I468 HydrophobicContact CG-CG1 4.48Å; L445-I468 WeakPolarHBondContact O-CA 3.43Å; L453-I468 HydrophobicContact CD1-CD1 4.12Å; I468-L474 HydrophobicContact CG2-CD2 3.46Å; I468-L474 VanDerWaalsContact CG2-CD2 3.46Å; I468-V477 HydrophobicContact CG2-CG2 4.38Å; I468-W482 HydrophobicContact CD1-CH2 3.55Å; I468-W482 HydrophobicContact CD1-CZ2 3.61Å; I468-L493 HydrophobicContact CB-CD1 4.41Å; I468-L493 HydrophobicContact CD1-CD1 3.98Å; I468-L493 HydrophobicContact CG1-CD1 4.05Å; I468-L494 PolarHBondContact N-O 2.85Å; I468-H495 WeakPolarHBondContact O-CA 3.42Å; I468-H495 WeakPolarHBondContact O-CB 3.14Å; I468-N498 PolarHBondContact O-ND2 2.8Å
469	H	94.9	Very high	94.9	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.5	-172	73.7	130	0	0	0	115.6	A37 L445 Q446 G447 L467 N471 T496 N498	A37-H469 PolarHBondContact O-CE1 3.16Å; L445-H469 PolarHBondContact O-N 3.37Å; Q446-H469 VanDerWaalsContact CA-O 3.29Å; Q446-H469 WeakPolarHBondContact CA-O 3.4Å; Q446-H469 VanDerWaalsContact CB-NE2 3.28Å; Q446-H469 WeakPolarHBondContact CB-NE2 3.48Å; G447-H469 PolarHBondContact N-O 2.86Å; L467-H469 HydrophobicContact CD1-CB 4.26Å; H469-N471 VanDerWaalsContact C-N 3.27Å; H469-N471 PolarHBondContact N-ND2 2.65Å; H469-N471 PolarHBondContact O-N 3.46Å; H469-N471 PolarHBondContact O-ND2 3.45Å; H469-N471 VanDerWaalsContact O-ND2 3.11Å; H469-T496 CarbonylContact C-O 3.5Å; H469-T496 WeakPolarHBondContact CA-O 3.46Å; H469-T496 HydrophobicContact CB-CG2 3.73Å; H469-T496 VanDerWaalsContact CB-O 3.26Å; H469-T496 WeakPolarHBondContact CB-O 3.47Å; H469-N498 WeakPolarHBondContact CA-OD1 3.25Å
470	H	94.8	Very high	95	Very high	90 Å²	90	22.2 Å²	22.2	42%	0.417	12%	0.115	S	C	.	.			trans	58.2	30.6	-178.4	-60.4	93.1	0	0	0	114.8	G447 T496 A497	G447-H470 WeakPolarHBondContact CA-O 3.34Å; H470-T496 PolarHBondContact N-O 3.49Å; H470-A497 CarbonylContact C-O 3.59Å; H470-A497 VanDerWaalsContact CA-O 3.23Å; H470-A497 WeakPolarHBondContact CA-O 3.41Å; H470-A497 VanDerWaalsContact CD2-CB 3.44Å; H470-A497 WeakPolarHBondContact CD2-CB 3.46Å; H470-A497 PolarHBondContact N-O 3.16Å
471	N	95.9	Very high	95	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.			trans	-98.8	95.2	176.5	-51.3	-74.2	0	0	0	108.8	L445 G447 L448 H469 H473 L474 N498	L445-N471 PolarHBondContact O-ND2 2.73Å; G447-N471 PolarHBondContact N-OD1 3.45Å; L448-N471 VanDerWaalsContact CB-OD1 3.32Å; L448-N471 WeakPolarHBondContact CB-OD1 2.99Å; L448-N471 WeakPolarHBondContact CG-OD1 3.02Å; L448-N471 PolarHBondContact N-OD1 2.91Å; L448-N471 WeakPolarHBondContact O-CA 3.42Å; H469-N471 VanDerWaalsContact C-N 3.27Å; H469-N471 PolarHBondContact N-ND2 2.65Å; H469-N471 PolarHBondContact O-N 3.46Å; H469-N471 PolarHBondContact O-ND2 3.45Å; H469-N471 VanDerWaalsContact O-ND2 3.11Å; N471-H473 VanDerWaalsContact C-N 3.28Å; N471-H473 PolarHBondContact O-N 3.23Å; N471-H473 VanDerWaalsContact O-N 3.15Å; N471-L474 HydrophobicContact CB-CB 3.56Å; N471-L474 HydrophobicContact CB-CD2 3.73Å; N471-L474 HydrophobicContact CB-CG 4.3Å; N471-L474 WeakPolarHBondContact O-CB 3.45Å; N471-L474 PolarHBondContact O-N 2.83Å; N471-L474 VanDerWaalsContact O-N 3.16Å; N471-N498 WeakPolarHBondContact CB-OD1 3.47Å; N471-N498 PolarHBondContact N-OD1 2.69Å; N471-N498 PolarHBondContact ND2-OD1 2.9Å; N471-N498 WeakPolarHBondContact O-CA 3.44Å
472	T	94.3	Very high	94.9	Very high	87 Å²	87	22.2 Å²	22.2	53%	0.534	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.5	-160.8	48.5	0	0	0	0	115.3
473	H	95.9	Very high	95	Very high	98 Å²	98	29.1 Å²	29.1	45%	0.454	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-2.7	-177.7	-55.9	-56.9	0	0	0	113.1	I450 S451 N471 C475	I450-H473 CarbonylContact O-C 3.34Å; S451-H473 WeakPolarHBondContact CA-O 3.34Å; N471-H473 VanDerWaalsContact C-N 3.28Å; N471-H473 PolarHBondContact O-N 3.23Å; N471-H473 VanDerWaalsContact O-N 3.15Å; H473-C475 PolarHBondContact O-N 2.76Å
474	L	97.2	Very high	95.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.166	C	C	.	.			trans	-75.2	110.1	-168.9	179.1	60.3	0	0	0	112.2	I450 L453 I468 N471 V477 R499	I450-L474 HydrophobicContact CD1-CD1 4.15Å; I450-L474 HydrophobicContact CG1-CD1 4.16Å; I450-L474 VanDerWaalsContact O-CA 3.32Å; I450-L474 WeakPolarHBondContact O-CA 3.32Å; I450-L474 PolarHBondContact O-N 3.12Å; L453-L474 HydrophobicContact CD2-CD1 3.92Å; L453-L474 HydrophobicContact CD2-CD2 4.04Å; L453-L474 HydrophobicContact CG-CD1 4.21Å; I468-L474 HydrophobicContact CG2-CD2 3.46Å; I468-L474 VanDerWaalsContact CG2-CD2 3.46Å; N471-L474 HydrophobicContact CB-CB 3.56Å; N471-L474 HydrophobicContact CB-CD2 3.73Å; N471-L474 HydrophobicContact CB-CG 4.3Å; N471-L474 WeakPolarHBondContact O-CB 3.45Å; N471-L474 PolarHBondContact O-N 2.83Å; N471-L474 VanDerWaalsContact O-N 3.16Å; L474-V477 HydrophobicContact CD2-CG2 3.83Å; L474-V477 HydrophobicContact CG-CG2 3.74Å; L474-R499 PolarHBondContact O-N 2.72Å
475	C	96.2	Very high	95.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.166	C	C	.	.			trans	-94.6	-175.7	167.3	-66.9	0	0	0	0	111	S451 H473 V477 C504 L509	S451-C475 PolarHBondContact O-N 2.86Å; H473-C475 PolarHBondContact O-N 2.76Å; C475-V477 VanDerWaalsContact C-N 3.25Å; C475-V477 PolarHBondContact O-N 2.76Å; C475-C504 WeakPolarHBondContact CA-SG 3.37Å; C475-C504 HydrophobicContact CB-CB 3.7Å; C475-C504 WeakPolarHBondContact CB-SG 3.13Å; C475-C504 WeakPolarHBondContact SG-CB 3.33Å; C475-C504 CovalentContact SG-SG 2.03Å; C475-C504 PolarHBondContact SG-SG 2.95Å; C475-L509 HydrophobicContact CB-CB 4.45Å; C475-L509 HydrophobicContact CB-CD1 4.5Å
476	F	96.4	Very high	95.5	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	17%	0.169	C	C	.	.			trans	62.8	21.3	173.5	-56.5	-88.7	0	0	0	115.7	W452 T479 L509 C520 P523	W452-F476 HydrophobicContact CB-CB 4.45Å; W452-F476 HydrophobicContact CB-CD2 3.66Å; W452-F476 HydrophobicContact CB-CE2 4.28Å; W452-F476 HydrophobicContact CB-CG 4.34Å; F476-T479 VanDerWaalsContact CA-OG1 3.24Å; F476-T479 WeakPolarHBondContact CA-OG1 3.44Å; F476-T479 WeakPolarHBondContact CB-OG1 3.45Å; F476-T479 HydrophobicContact CD1-CG2 4.42Å; F476-T479 PolarHBondContact O-OG1 2.73Å; F476-T479 VanDerWaalsContact O-OG1 3.05Å; F476-L509 HydrophobicContact CE2-CB 3.97Å; F476-L509 HydrophobicContact CZ-CB 4.16Å; F476-C520 WeakPolarHBondContact CD1-SG 3.45Å; F476-P523 HydrophobicContact CZ-CB 4.11Å
477	V	95.6	Very high	95.1	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	19%	0.187	C	C	.	.	S	Bend	trans	-76.7	-42.8	176.5	-176.4	0	0	0	0	111.1	I468 L474 C475 W482 L493	I468-V477 HydrophobicContact CG2-CG2 4.38Å; L474-V477 HydrophobicContact CD2-CG2 3.83Å; L474-V477 HydrophobicContact CG-CG2 3.74Å; C475-V477 VanDerWaalsContact C-N 3.25Å; C475-V477 PolarHBondContact O-N 2.76Å; V477-W482 PolarHBondContact O-NE1 3.37Å; V477-L493 HydrophobicContact CG1-CD2 3.92Å
478	H	94.1	Very high	94.3	Very high	101 Å²	101	40.4 Å²	40.4	47%	0.468	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.5	-179.3	-50	100.4	0	0	0	113.2	V480 H495 E501	H478-V480 VanDerWaalsContact C-N 3.28Å; H478-V480 PolarHBondContact O-N 2.7Å; H478-H495 AromaticContact CD2-CE1 3.77Å; H478-H495 AromaticContact NE2-CE1 3.17Å; H478-H495 PolarHBondContact NE2-CE1 3.09Å; H478-H495 AromaticContact NE2-ND1 3.62Å; H478-E501 IonicContact CE1-OE2 2.82Å; H478-E501 IonicContact CG-OE2 3.26Å; H478-E501 IonicContact ND1-OE2 3.91Å; H478-E501 PolarHBondContact ND1-OE2 2.83Å
479	T	95.5	Very high	93.4	Very high	19 Å²	19	46.1 Å²	46.1	12%	0.117	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.2	177.3	57.6	0	0	0	0	113.4	F476 C511 H519 C520	F476-T479 VanDerWaalsContact CA-OG1 3.24Å; F476-T479 WeakPolarHBondContact CA-OG1 3.44Å; F476-T479 WeakPolarHBondContact CB-OG1 3.45Å; F476-T479 HydrophobicContact CD1-CG2 4.42Å; F476-T479 PolarHBondContact O-OG1 2.73Å; F476-T479 VanDerWaalsContact O-OG1 3.05Å; T479-C511 VanDerWaalsContact CB-SG 3.53Å; T479-H519 WeakPolarHBondContact O-CA 3.41Å; T479-C520 CarbonylContact C-O 3.58Å; T479-C520 PolarHBondContact O-N 2.8Å; T479-C520 VanDerWaalsContact O-N 3.12Å; T479-C520 PolarHBondContact OG1-O 3.1Å
480	V	96.2	Very high	92.9	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.03	24%	0.24	C	C	.	.	S	Bend	trans	-86.4	127.6	174.3	172	0	0	0	0	109.2	L453 H478 W482 L485 W521	L453-V480 HydrophobicContact CD1-CG2 4.47Å; H478-V480 VanDerWaalsContact C-N 3.28Å; H478-V480 PolarHBondContact O-N 2.7Å; V480-W482 VanDerWaalsContact C-N 3.3Å; V480-W482 HydrophobicContact CB-CZ2 4.05Å; V480-W482 HydrophobicContact CG1-CD2 3.85Å; V480-W482 HydrophobicContact CG1-CE3 4.42Å; V480-W482 HydrophobicContact CG1-CG 4.17Å; V480-W482 HydrophobicContact CG1-CH2 4.36Å; V480-W482 HydrophobicContact CG1-CZ2 3.8Å; V480-W482 PolarHBondContact O-N 2.83Å; V480-W482 PolarHBondContact O-NE1 2.75Å; V480-L485 HydrophobicContact CG1-CD1 3.83Å; V480-W521 HydrophobicContact CB-CE3 4.46Å; V480-W521 HydrophobicContact CB-CZ3 4.32Å; V480-W521 HydrophobicContact CG1-CE3 4.19Å; V480-W521 HydrophobicContact CG1-CH2 3.49Å; V480-W521 VanDerWaalsContact CG1-CH2 3.49Å; V480-W521 HydrophobicContact CG1-CZ2 3.89Å; V480-W521 HydrophobicContact CG1-CZ3 3.67Å; V480-W521 HydrophobicContact CG2-CD2 3.78Å; V480-W521 HydrophobicContact CG2-CE3 3.4Å; V480-W521 VanDerWaalsContact CG2-CE3 3.4Å; V480-W521 HydrophobicContact CG2-CG 4.4Å; V480-W521 HydrophobicContact CG2-CH2 4.28Å; V480-W521 HydrophobicContact CG2-CZ3 3.68Å
481	P	95.5	Very high	92.7	Very high	12 Å²	12	43.6 Å²	43.6	8%	0.078	22%	0.224	C	C	.	.			trans	-82.9	71.8	-178.4	33.9	-35.3	0	0	0	111.2	D483 Q484 H519 V529	P481-D483 PolarHBondContact O-N 2.7Å; P481-D483 VanDerWaalsContact O-N 3.12Å; P481-Q484 HydrophobicContact CB-CB 4.47Å; P481-Q484 HydrophobicContact CB-CG 4.32Å; P481-Q484 WeakPolarHBondContact O-CB 3.31Å; P481-Q484 PolarHBondContact O-N 3.12Å; P481-H519 HydrophobicContact CG-CB 4.34Å; P481-V529 HydrophobicContact CG-CG1 4.05Å; P481-V529 HydrophobicContact CG-CG2 4.3Å
482	W	95.4	Very high	92.6	Very high	15 Å²	15	44.2 Å²	44.2	6%	0.057	23%	0.229	C	C	.	.	H	α-helix	trans	-52	-36.8	-173.4	-64.4	94.5	0	0	0	114.2	L443 L453 L461 A466 I468 V477 V480 Q484 L485 F486 L493 W521	L443-W482 HydrophobicContact CD2-CH2 4.04Å; L443-W482 HydrophobicContact CD2-CZ3 4.05Å; L453-W482 HydrophobicContact CD1-CH2 4.19Å; L453-W482 HydrophobicContact CD1-CZ2 3.94Å; L461-W482 HydrophobicContact CD1-CE3 4.21Å; L461-W482 HydrophobicContact CD1-CZ3 4.02Å; A466-W482 HydrophobicContact CB-CE3 4.22Å; A466-W482 HydrophobicContact CB-CZ3 3.98Å; I468-W482 HydrophobicContact CD1-CH2 3.55Å; I468-W482 HydrophobicContact CD1-CZ2 3.61Å; V477-W482 PolarHBondContact O-NE1 3.37Å; V480-W482 VanDerWaalsContact C-N 3.3Å; V480-W482 HydrophobicContact CB-CZ2 4.05Å; V480-W482 HydrophobicContact CG1-CD2 3.85Å; V480-W482 HydrophobicContact CG1-CE3 4.42Å; V480-W482 HydrophobicContact CG1-CG 4.17Å; V480-W482 HydrophobicContact CG1-CH2 4.36Å; V480-W482 HydrophobicContact CG1-CZ2 3.8Å; V480-W482 PolarHBondContact O-N 2.83Å; V480-W482 PolarHBondContact O-NE1 2.75Å; W482-Q484 PolarHBondContact O-N 3.28Å; W482-Q484 VanDerWaalsContact O-N 3.11Å; W482-L485 HydrophobicContact CD2-CD1 4.42Å; W482-L485 HydrophobicContact CE3-CD1 3.88Å; W482-L485 HydrophobicContact CZ3-CD1 4.16Å; W482-L485 WeakPolarHBondContact O-CA 3.16Å; W482-L485 WeakPolarHBondContact O-CB 3.19Å; W482-L485 PolarHBondContact O-N 3.11Å; W482-F486 HydrophobicContact CB-CD2 4.4Å; W482-F486 HydrophobicContact CB-CE2 3.72Å; W482-F486 HydrophobicContact CB-CZ 4.1Å; W482-F486 HydrophobicContact CE3-CZ 4.27Å; W482-F486 VanDerWaalsContact O-CD2 3.23Å; W482-F486 WeakPolarHBondContact O-CD2 3.19Å; W482-F486 WeakPolarHBondContact O-CG 3.16Å; W482-F486 PolarHBondContact O-N 2.7Å; W482-L493 HydrophobicContact CD2-CB 4.39Å; W482-L493 HydrophobicContact CD2-CD1 4.16Å; W482-L493 HydrophobicContact CD2-CD2 4.44Å; W482-L493 HydrophobicContact CE3-CD1 4.43Å; W482-L493 HydrophobicContact CG-CB 4.19Å; W482-L493 HydrophobicContact CG-CD2 4.28Å; W482-L493 HydrophobicContact CH2-CD1 4.49Å; W482-L493 HydrophobicContact CZ2-CD1 4.18Å; W482-W521 HydrophobicContact CH2-CZ3 4.27Å
483	D	93.4	Very high	92.6	Very high	146 Å²	146	41.6 Å²	41.6	78%	0.781	21%	0.211	S	C	*	.	H	α-helix	trans	-59.3	-23.2	176.2	-50.8	-64.3	0	0	0	114	P481	P481-D483 PolarHBondContact O-N 2.7Å; P481-D483 VanDerWaalsContact O-N 3.12Å
484	Q	93.9	Very high	92.5	Very high	95 Å²	95	37.4 Å²	37.4	44%	0.444	19%	0.192	S	C	.	.	H	α-helix	trans	-88.2	-14.9	176.5	-62.9	169.8	42.1	0	0	112.4	P481 W482 R487	P481-Q484 HydrophobicContact CB-CB 4.47Å; P481-Q484 HydrophobicContact CB-CG 4.32Å; P481-Q484 WeakPolarHBondContact O-CB 3.31Å; P481-Q484 PolarHBondContact O-N 3.12Å; W482-Q484 PolarHBondContact O-N 3.28Å; W482-Q484 VanDerWaalsContact O-N 3.11Å; Q484-R487 PolarHBondContact O-NH1 3.08Å
485	L	95.3	Very high	92.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-88.5	-37.7	174.8	-53.5	179.4	0	0	0	111.2	L458 E460 L461 V480 W482 R487 W521	L458-L485 VanDerWaalsContact O-CD2 3.3Å; L458-L485 WeakPolarHBondContact O-CD2 3.17Å; E460-L485 WeakPolarHBondContact CA-O 3.27Å; L461-L485 HydrophobicContact CG-CB 4.35Å; L461-L485 PolarHBondContact N-O 2.94Å; V480-L485 HydrophobicContact CG1-CD1 3.83Å; W482-L485 HydrophobicContact CD2-CD1 4.42Å; W482-L485 HydrophobicContact CE3-CD1 3.88Å; W482-L485 HydrophobicContact CZ3-CD1 4.16Å; W482-L485 WeakPolarHBondContact O-CA 3.16Å; W482-L485 WeakPolarHBondContact O-CB 3.19Å; W482-L485 PolarHBondContact O-N 3.11Å; L485-R487 PolarHBondContact O-NH1 3.34Å; L485-R487 VanDerWaalsContact O-NH1 3.16Å; L485-W521 HydrophobicContact CD1-CH2 3.6Å; L485-W521 HydrophobicContact CD1-CZ2 3.91Å; L485-W521 HydrophobicContact CD2-CZ2 4.4Å
486	F	94.5	Very high	92.2	Very high	21 Å²	21	43.2 Å²	43.2	9%	0.092	22%	0.222	C	C	.	.			trans	-67.2	162	176.9	-58.9	-42.5	0	0	0	112.8	L461 A466 W482 Q491	L461-F486 HydrophobicContact CB-CD1 4.11Å; L461-F486 HydrophobicContact CB-CE1 4.41Å; L461-F486 HydrophobicContact CD1-CD1 4.19Å; L461-F486 HydrophobicContact CD1-CE1 3.7Å; A466-F486 HydrophobicContact CB-CE1 4.39Å; A466-F486 HydrophobicContact CB-CZ 4.34Å; W482-F486 HydrophobicContact CB-CD2 4.4Å; W482-F486 HydrophobicContact CB-CE2 3.72Å; W482-F486 HydrophobicContact CB-CZ 4.1Å; W482-F486 HydrophobicContact CE3-CZ 4.27Å; W482-F486 VanDerWaalsContact O-CD2 3.23Å; W482-F486 WeakPolarHBondContact O-CD2 3.19Å; W482-F486 WeakPolarHBondContact O-CG 3.16Å; W482-F486 PolarHBondContact O-N 2.7Å; F486-Q491 HydrophobicContact CB-CB 3.96Å; F486-Q491 HydrophobicContact CD1-CB 3.55Å; F486-Q491 HydrophobicContact CD1-CG 4.28Å; F486-Q491 HydrophobicContact CD2-CB 4.21Å; F486-Q491 HydrophobicContact CE1-CB 4.07Å; F486-Q491 HydrophobicContact CG-CB 3.65Å
487	R	89.4	Confident	92	Very high	98 Å²	98	45.6 Å²	45.6	37%	0.37	24%	0.242	S	C	.	.			trans	-138.2	-29	-172.9	-64.4	-68.2	-180	-89.9	-4.2	113.8	Y301 R459 E460 Q484 L485	Y301-R487 HydrophobicContact CD1-CB 3.89Å; Y301-R487 HydrophobicContact CD1-CG 4.48Å; Y301-R487 HydrophobicContact CE1-CB 3.42Å; Y301-R487 VanDerWaalsContact CE1-CB 3.42Å; Y301-R487 HydrophobicContact CE1-CG 3.59Å; R459-R487 PolarHBondContact O-NH2 2.64Å; E460-R487 HydrophobicContact CG-CG 4.2Å; E460-R487 IonicContact OE2-CZ 2.66Å; E460-R487 IonicContact OE2-NE 2.73Å; E460-R487 PolarHBondContact OE2-NE 3.21Å; E460-R487 IonicContact OE2-NH2 3.85Å; E460-R487 PolarHBondContact OE2-NH2 3.01Å; Q484-R487 PolarHBondContact O-NH1 3.08Å; L485-R487 PolarHBondContact O-NH1 3.34Å; L485-R487 VanDerWaalsContact O-NH1 3.16Å
488	N	78.8	Confident	91.9	Very high	46 Å²	46	46.8 Å²	46.8	25%	0.246	25%	0.248	C	C	.	.	S	Bend	trans	-115.9	152.4	175.7	88	66.1	0	0	0	111.2	H490 Q491	N488-H490 PolarHBondContact O-N 3.26Å; N488-H490 WeakPolarHBondContact OD1-CB 3.17Å; N488-H490 PolarHBondContact OD1-N 2.04Å; N488-Q491 WeakPolarHBondContact ND2-CG 3.39Å; N488-Q491 PolarHBondContact ND2-OE1 2.83Å; N488-Q491 PolarHBondContact O-N 3.4Å
489	P	78.9	Confident	92	Very high	119 Å²	119	44.2 Å²	44.2	77%	0.773	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.8	-168.9	32	-37.3	0	0	0	114.7
490	H	83.6	Confident	91.9	Very high	26 Å²	26	46.4 Å²	46.4	12%	0.12	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	4.2	178.8	-59.4	-68.8	0	0	0	112.8	H48 L49 Q51 N488	H48-H490 WeakPolarHBondContact O-CB 3.27Å; H48-H490 PolarHBondContact O-ND1 3.03Å; L49-H490 PolarHBondContact O-ND1 2.91Å; Q51-H490 PolarHBondContact O-CE1 3.17Å; N488-H490 PolarHBondContact O-N 3.26Å; N488-H490 WeakPolarHBondContact OD1-CB 3.17Å; N488-H490 PolarHBondContact OD1-N 2.04Å
491	Q	90.3	Very high	91.5	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	26%	0.259	C	S	.	.			trans	-88.2	143.6	174.8	-55.3	-178.5	-96.8	0	0	110.9	L461 S463 G464 F486 N488	L461-Q491 PolarHBondContact O-NE2 3.16Å; L461-Q491 PolarHBondContact O-OE1 3.27Å; S463-Q491 PolarHBondContact O-NE2 3.09Å; G464-Q491 VanDerWaalsContact O-CG 3.31Å; G464-Q491 WeakPolarHBondContact O-CG 3.42Å; G464-Q491 PolarHBondContact O-NE2 3.17Å; F486-Q491 HydrophobicContact CB-CB 3.96Å; F486-Q491 HydrophobicContact CD1-CB 3.55Å; F486-Q491 HydrophobicContact CD1-CG 4.28Å; F486-Q491 HydrophobicContact CD2-CB 4.21Å; F486-Q491 HydrophobicContact CE1-CB 4.07Å; F486-Q491 HydrophobicContact CG-CB 3.65Å; N488-Q491 WeakPolarHBondContact ND2-CG 3.39Å; N488-Q491 PolarHBondContact ND2-OE1 2.83Å; N488-Q491 PolarHBondContact O-N 3.4Å
492	A	93.3	Very high	91.4	Very high	13 Å²	13	55 Å²	55	11%	0.107	29%	0.293	C	S	.	.			trans	-149.9	160.3	171.5	0	0	0	0	0	109.8	L465 A466	L465-A492 HydrophobicContact CD2-CB 4.29Å; A466-A492 PolarHBondContact N-O 3.44Å
493	L	95.7	Very high	91.3	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.168	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	125.2	158.6	176.6	73.8	0	0	0	108.1	A466 I468 V477 W482 H495	A466-L493 HydrophobicContact CB-CD1 3.97Å; I468-L493 HydrophobicContact CB-CD1 4.41Å; I468-L493 HydrophobicContact CD1-CD1 3.98Å; I468-L493 HydrophobicContact CG1-CD1 4.05Å; V477-L493 HydrophobicContact CG1-CD2 3.92Å; W482-L493 HydrophobicContact CD2-CB 4.39Å; W482-L493 HydrophobicContact CD2-CD1 4.16Å; W482-L493 HydrophobicContact CD2-CD2 4.44Å; W482-L493 HydrophobicContact CE3-CD1 4.43Å; W482-L493 HydrophobicContact CG-CB 4.19Å; W482-L493 HydrophobicContact CG-CD2 4.28Å; W482-L493 HydrophobicContact CH2-CD1 4.49Å; W482-L493 HydrophobicContact CZ2-CD1 4.18Å; L493-H495 HydrophobicContact CD2-CB 4.23Å; L493-H495 HydrophobicContact CG-CB 4.27Å
494	L	94.1	Very high	91.4	Very high	10 Å²	10	51.9 Å²	51.9	5%	0.052	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	164.4	-55.4	-175.2	0	0	0	108	T41 D44 M45 Y441 L465 A466 L467 I468	T41-L494 HydrophobicContact CG2-CB 4.36Å; D44-L494 HydrophobicContact CB-CD2 4.5Å; M45-L494 HydrophobicContact CB-CD1 3.62Å; M45-L494 HydrophobicContact CG-CD1 4.28Å; Y441-L494 HydrophobicContact CE1-CD1 4.09Å; L465-L494 HydrophobicContact CD2-CD1 3.95Å; L465-L494 HydrophobicContact CD2-CD2 4.5Å; L465-L494 HydrophobicContact CD2-CG 4.11Å; A466-L494 PolarHBondContact O-N 3.09Å; L467-L494 WeakPolarHBondContact CA-O 3.45Å; L467-L494 HydrophobicContact CD1-CB 4.04Å; I468-L494 PolarHBondContact N-O 2.85Å
495	H	93.4	Very high	91.4	Very high	79 Å²	79	51.2 Å²	51.2	37%	0.366	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140	-179.1	64.8	106.5	0	0	0	111.7	I468 H478 L493	I468-H495 WeakPolarHBondContact O-CA 3.42Å; I468-H495 WeakPolarHBondContact O-CB 3.14Å; H478-H495 AromaticContact CD2-CE1 3.77Å; H478-H495 AromaticContact NE2-CE1 3.17Å; H478-H495 PolarHBondContact NE2-CE1 3.09Å; H478-H495 AromaticContact NE2-ND1 3.62Å; L493-H495 HydrophobicContact CD2-CB 4.23Å; L493-H495 HydrophobicContact CG-CB 4.27Å
496	T	92.8	Very high	91.3	Very high	45 Å²	45	54.1 Å²	54.1	28%	0.276	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	153.8	177.2	-174.4	0	0	0	0	110.1	T41 H469 H470 N498	T41-T496 HydrophobicContact CG2-CG2 4.13Å; H469-T496 CarbonylContact C-O 3.5Å; H469-T496 WeakPolarHBondContact CA-O 3.46Å; H469-T496 HydrophobicContact CB-CG2 3.73Å; H469-T496 VanDerWaalsContact CB-O 3.26Å; H469-T496 WeakPolarHBondContact CB-O 3.47Å; H470-T496 PolarHBondContact N-O 3.49Å; T496-N498 PolarHBondContact O-N 3.15Å
497	A	92.5	Very high	91.2	Very high	51 Å²	51	59 Å²	59	42%	0.421	33%	0.331	S	S	.	.	S	Bend	trans	53.2	26.1	177	0	0	0	0	0	116.3	H470	H470-A497 CarbonylContact C-O 3.59Å; H470-A497 VanDerWaalsContact CA-O 3.23Å; H470-A497 WeakPolarHBondContact CA-O 3.41Å; H470-A497 VanDerWaalsContact CD2-CB 3.44Å; H470-A497 WeakPolarHBondContact CD2-CB 3.46Å; H470-A497 PolarHBondContact N-O 3.16Å
498	N	93.6	Very high	91.3	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.15	34%	0.342	C	S	.	.	S	Bend	trans	-87.3	177.2	161.2	-49.5	-49.5	0	0	0	109.3	I468 H469 N471 T496	I468-N498 PolarHBondContact O-ND2 2.8Å; H469-N498 WeakPolarHBondContact CA-OD1 3.25Å; N471-N498 WeakPolarHBondContact CB-OD1 3.47Å; N471-N498 PolarHBondContact N-OD1 2.69Å; N471-N498 PolarHBondContact ND2-OD1 2.9Å; N471-N498 WeakPolarHBondContact O-CA 3.44Å; T496-N498 PolarHBondContact O-N 3.15Å
499	R	95	Very high	92.1	Very high	47 Å²	47	57.2 Å²	57.2	18%	0.177	34%	0.342	C	S	.	.			trans	-63.4	140.1	179	-164.5	170.8	-171	-170.2	1.1	111.9	L474 E503 E507	L474-R499 PolarHBondContact O-N 2.72Å; R499-E503 HydrophobicContact CG-CB 4.39Å; R499-E503 IonicContact CZ-OE2 3.06Å; R499-E503 IonicContact NE-OE2 2.74Å; R499-E503 PolarHBondContact NE-OE2 2.78Å; R499-E503 IonicContact NH2-OE2 3.51Å; R499-E503 PolarHBondContact NH2-OE2 2.81Å; R499-E507 IonicContact CZ-OE1 3.66Å; R499-E507 IonicContact CZ-OE2 2.67Å; R499-E507 VanDerWaalsContact NH1-CD 3.29Å; R499-E507 IonicContact NH1-OE1 3.91Å; R499-E507 PolarHBondContact NH1-OE1 2.83Å; R499-E507 IonicContact NH1-OE2 2.84Å; R499-E507 PolarHBondContact NH1-OE2 2.87Å; R499-E507 VanDerWaalsContact NH2-CD 3.3Å; R499-E507 IonicContact NH2-OE1 3.17Å; R499-E507 PolarHBondContact NH2-OE1 3.09Å; R499-E507 IonicContact NH2-OE2 3.44Å
500	P	93.5	Very high	92.8	Very high	66 Å²	66	53.8 Å²	53.8	43%	0.429	32%	0.324	S	S	.	.			trans	-63.4	136	175.1	-23	34.5	0	0	0	112.6	D502 E503 C504	P500-D502 VanDerWaalsContact C-N 3.28Å; P500-D502 PolarHBondContact O-N 3.44Å; P500-E503 HydrophobicContact CB-CG 4.27Å; P500-E503 HydrophobicContact CG-CG 4.42Å; P500-E503 WeakPolarHBondContact O-CB 3.41Å; P500-E503 PolarHBondContact O-N 2.8Å; P500-C504 PolarHBondContact O-N 3.49Å
501	E	89.1	Confident	93.4	Very high	48 Å²	48	53.8 Å²	53.8	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-38	-178.1	-167.1	69.2	-157.9	0	0	112.3	H478 E503 C504 V505	H478-E501 IonicContact CE1-OE2 2.82Å; H478-E501 IonicContact CG-OE2 3.26Å; H478-E501 IonicContact ND1-OE2 3.91Å; H478-E501 PolarHBondContact ND1-OE2 2.83Å; E501-E503 VanDerWaalsContact C-N 3.27Å; E501-E503 PolarHBondContact O-N 2.89Å; E501-C504 WeakPolarHBondContact O-CB 3.05Å; E501-C504 PolarHBondContact O-N 3.5Å; E501-V505 WeakPolarHBondContact O-CG2 3.46Å; E501-V505 PolarHBondContact O-N 2.87Å
502	D	92	Very high	93.6	Very high	148 Å²	148	56.5 Å²	56.5	79%	0.791	34%	0.339	S	S	*	.	H	α-helix	trans	-63.2	-30.9	177.7	-65.6	-48.1	0	0	0	112.8	P500 G506	P500-D502 VanDerWaalsContact C-N 3.28Å; P500-D502 PolarHBondContact O-N 3.44Å; D502-G506 PolarHBondContact O-N 2.98Å
503	E	94.7	Very high	93.8	Very high	96 Å²	96	64.6 Å²	64.6	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-73.3	-42.9	173.1	-69.6	-175.3	-155.8	0	0	111.6	R499 P500 E501 V505 G506 E507	R499-E503 HydrophobicContact CG-CB 4.39Å; R499-E503 IonicContact CZ-OE2 3.06Å; R499-E503 IonicContact NE-OE2 2.74Å; R499-E503 PolarHBondContact NE-OE2 2.78Å; R499-E503 IonicContact NH2-OE2 3.51Å; R499-E503 PolarHBondContact NH2-OE2 2.81Å; P500-E503 HydrophobicContact CB-CG 4.27Å; P500-E503 HydrophobicContact CG-CG 4.42Å; P500-E503 WeakPolarHBondContact O-CB 3.41Å; P500-E503 PolarHBondContact O-N 2.8Å; E501-E503 VanDerWaalsContact C-N 3.27Å; E501-E503 PolarHBondContact O-N 2.89Å; E503-V505 PolarHBondContact O-N 2.86Å; E503-G506 WeakPolarHBondContact O-CA 3.16Å; E503-G506 PolarHBondContact O-N 2.82Å; E503-G506 VanDerWaalsContact O-N 3.13Å; E503-E507 PolarHBondContact O-N 3.42Å
504	C	94.9	Very high	93.8	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-56.9	-51.2	176.6	-63.8	0	0	0	0	110.8	C475 P500 E501 G506 E507 G508 L509	C475-C504 WeakPolarHBondContact CA-SG 3.37Å; C475-C504 HydrophobicContact CB-CB 3.7Å; C475-C504 WeakPolarHBondContact CB-SG 3.13Å; C475-C504 WeakPolarHBondContact SG-CB 3.33Å; C475-C504 CovalentContact SG-SG 2.03Å; C475-C504 PolarHBondContact SG-SG 2.95Å; P500-C504 PolarHBondContact O-N 3.49Å; E501-C504 WeakPolarHBondContact O-CB 3.05Å; E501-C504 PolarHBondContact O-N 3.5Å; C504-G506 VanDerWaalsContact C-N 3.29Å; C504-G506 PolarHBondContact O-N 3.06Å; C504-E507 PolarHBondContact O-N 2.92Å; C504-G508 PolarHBondContact O-N 3.12Å; C504-L509 HydrophobicContact CB-CB 4.24Å; C504-L509 WeakPolarHBondContact O-CA 3.45Å; C504-L509 VanDerWaalsContact O-CB 3.31Å; C504-L509 WeakPolarHBondContact O-CB 3.14Å; C504-L509 PolarHBondContact O-N 2.04Å
505	V	93.3	Very high	93.9	Very high	82 Å²	82	64 Å²	64	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-34.9	176.2	178.6	0	0	0	0	111.3	E501 E503 E507 G508	E501-V505 WeakPolarHBondContact O-CG2 3.46Å; E501-V505 PolarHBondContact O-N 2.87Å; E503-V505 PolarHBondContact O-N 2.86Å; V505-E507 VanDerWaalsContact C-N 3.32Å; V505-E507 PolarHBondContact O-N 3.41Å; V505-G508 PolarHBondContact O-N 2.93Å
506	G	93.2	Very high	94	Very high	66 Å²	66	61.4 Å²	61.4	68%	0.68	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-33	174.9	0	0	0	0	0	114.7	D502 E503 C504	D502-G506 PolarHBondContact O-N 2.98Å; E503-G506 WeakPolarHBondContact O-CA 3.16Å; E503-G506 PolarHBondContact O-N 2.82Å; E503-G506 VanDerWaalsContact O-N 3.13Å; C504-G506 VanDerWaalsContact C-N 3.29Å; C504-G506 PolarHBondContact O-N 3.06Å
507	E	93.3	Very high	94	Very high	125 Å²	125	69.4 Å²	69.4	58%	0.584	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.1	172.8	-74.1	179.8	-168.8	0	0	113.6	R499 E503 C504 V505 L509	R499-E507 IonicContact CZ-OE1 3.66Å; R499-E507 IonicContact CZ-OE2 2.67Å; R499-E507 VanDerWaalsContact NH1-CD 3.29Å; R499-E507 IonicContact NH1-OE1 3.91Å; R499-E507 PolarHBondContact NH1-OE1 2.83Å; R499-E507 IonicContact NH1-OE2 2.84Å; R499-E507 PolarHBondContact NH1-OE2 2.87Å; R499-E507 VanDerWaalsContact NH2-CD 3.3Å; R499-E507 IonicContact NH2-OE1 3.17Å; R499-E507 PolarHBondContact NH2-OE1 3.09Å; R499-E507 IonicContact NH2-OE2 3.44Å; E503-E507 PolarHBondContact O-N 3.42Å; C504-E507 PolarHBondContact O-N 2.92Å; V505-E507 VanDerWaalsContact C-N 3.32Å; V505-E507 PolarHBondContact O-N 3.41Å; E507-L509 HydrophobicContact CB-CG 4.41Å
508	G	92.1	Very high	94	Very high	58 Å²	58	68.7 Å²	68.7	60%	0.598	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	10.9	-178.1	0	0	0	0	0	114.6	C504 V505 A510	C504-G508 PolarHBondContact O-N 3.12Å; V505-G508 PolarHBondContact O-N 2.93Å; G508-A510 PolarHBondContact O-N 2.95Å
509	L	93.9	Very high	94.2	Very high	47 Å²	47	69.5 Å²	69.5	25%	0.246	39%	0.389	C	S	.	.			trans	-77.7	72.6	173.5	-58.3	174.2	0	0	0	109.9	C475 F476 C504 E507	C475-L509 HydrophobicContact CB-CB 4.45Å; C475-L509 HydrophobicContact CB-CD1 4.5Å; F476-L509 HydrophobicContact CE2-CB 3.97Å; F476-L509 HydrophobicContact CZ-CB 4.16Å; C504-L509 HydrophobicContact CB-CB 4.24Å; C504-L509 WeakPolarHBondContact O-CA 3.45Å; C504-L509 VanDerWaalsContact O-CB 3.31Å; C504-L509 WeakPolarHBondContact O-CB 3.14Å; C504-L509 PolarHBondContact O-N 2.04Å; E507-L509 HydrophobicContact CB-CG 4.41Å
510	A	94.1	Very high	94.3	Very high	47 Å²	47	67.3 Å²	67.3	39%	0.388	38%	0.381	S	S	.	.			trans	-128.3	162	178.5	0	0	0	0	0	111.3	G508	G508-A510 PolarHBondContact O-N 2.95Å
511	C	96	Very high	94.4	Very high	27 Å²	27	64.2 Å²	64.2	18%	0.182	36%	0.361	C	S	.	.			trans	-62.3	145.5	-178.7	-66.6	0	0	0	0	113	T479 C515 G518 C520	T479-C511 VanDerWaalsContact CB-SG 3.53Å; C511-C515 HydrophobicContact CB-CB 4.22Å; C511-G518 PolarHBondContact SG-O 3.48Å; C511-C520 WeakPolarHBondContact CA-SG 3.2Å; C511-C520 HydrophobicContact CB-CB 3.84Å; C511-C520 WeakPolarHBondContact CB-SG 3.08Å; C511-C520 WeakPolarHBondContact SG-CB 3.3Å; C511-C520 PolarHBondContact SG-N 3.17Å; C511-C520 VanDerWaalsContact SG-N 3.4Å; C511-C520 CovalentContact SG-SG 2.03Å; C511-C520 PolarHBondContact SG-SG 2.81Å
512	H	96.2	Very high	94.8	Very high	72 Å²	72	61.9 Å²	61.9	33%	0.333	35%	0.35	S	S	.	.			trans	-60.4	146.9	177.5	-167.9	-111.9	0	0	0	111.6	L514 C515	H512-L514 PolarHBondContact O-N 2.77Å; H512-C515 VanDerWaalsContact O-CB 3.26Å; H512-C515 WeakPolarHBondContact O-CB 3.5Å; H512-C515 PolarHBondContact O-N 3.37Å; H512-C515 PolarHBondContact O-SG 3.28Å; H512-C515 VanDerWaalsContact O-SG 3.42Å
513	Q	95.6	Very high	94.9	Very high	183 Å²	183	57.1 Å²	57.1	86%	0.855	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.8	-174.4	-60.5	-179.1	11.1	0	0	113.5
514	L	96.8	Very high	94.9	Very high	22 Å²	22	53.7 Å²	53.7	12%	0.115	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3	174.6	-55.5	178.6	0	0	0	113.9	H512 A516 C531 S532 C540 E542	H512-L514 PolarHBondContact O-N 2.77Å; L514-A516 PolarHBondContact O-N 2.93Å; L514-C531 CarbonylContact O-C 3.58Å; L514-C531 WeakPolarHBondContact O-CA 3.32Å; L514-S532 WeakPolarHBondContact CA-OG 3.49Å; L514-S532 PolarHBondContact O-N 2.8Å; L514-S532 PolarHBondContact O-OG 3.4Å; L514-C540 HydrophobicContact CB-CB 3.86Å; L514-C540 VanDerWaalsContact CD1-O 3.25Å; L514-C540 WeakPolarHBondContact CD1-O 3.49Å; L514-E542 HydrophobicContact CD1-CG 4.09Å; L514-E542 HydrophobicContact CD2-CG 3.76Å
515	C	96.2	Very high	95	Very high	7 Å²	7	55 Å²	55	5%	0.047	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-78.2	119.1	173.8	-57.5	0	0	0	0	110.5	C511 H512 R517 G518 C520 C528	C511-C515 HydrophobicContact CB-CB 4.22Å; H512-C515 VanDerWaalsContact O-CB 3.26Å; H512-C515 WeakPolarHBondContact O-CB 3.5Å; H512-C515 PolarHBondContact O-N 3.37Å; H512-C515 PolarHBondContact O-SG 3.28Å; H512-C515 VanDerWaalsContact O-SG 3.42Å; C515-R517 PolarHBondContact O-N 3.14Å; C515-G518 PolarHBondContact O-N 3.15Å; C515-G518 VanDerWaalsContact O-N 3.16Å; C515-C520 HydrophobicContact CB-CB 4.5Å; C515-C528 WeakPolarHBondContact CA-SG 3.48Å; C515-C528 HydrophobicContact CB-CB 3.63Å; C515-C528 WeakPolarHBondContact CB-SG 3.47Å; C515-C528 PolarHBondContact N-SG 3.03Å; C515-C528 WeakPolarHBondContact SG-CA 3.09Å; C515-C528 WeakPolarHBondContact SG-CB 3Å; C515-C528 CovalentContact SG-SG 2.04Å; C515-C528 PolarHBondContact SG-SG 3.1Å
516	A	94.7	Very high	95.1	Very high	24 Å²	24	53.7 Å²	53.7	20%	0.198	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-61.1	132	-179.1	0	0	0	0	0	110.7	L514 G518 H519 N530	L514-A516 PolarHBondContact O-N 2.93Å; A516-G518 PolarHBondContact O-N 2.73Å; A516-G518 VanDerWaalsContact O-N 3.07Å; A516-H519 PolarHBondContact O-N 3.44Å; A516-H519 VanDerWaalsContact O-N 3.13Å; A516-N530 HydrophobicContact CB-CB 4Å; A516-N530 WeakPolarHBondContact CB-O 3.49Å; A516-N530 PolarHBondContact N-O 2.96Å
517	R	94.1	Very high	95.3	Very high	214 Å²	214	51.1 Å²	51.1	81%	0.808	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	59	11.6	-178	-51.8	179.7	-176.6	169.3	3	115.1	C515 H519	C515-R517 PolarHBondContact O-N 3.14Å; R517-H519 PolarHBondContact O-CD2 3.2Å
518	G	92.9	Very high	95.4	Very high	35 Å²	35	46 Å²	46	36%	0.361	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	72.7	25.7	-173.3	0	0	0	0	0	113.6	C511 C515 A516	C511-G518 PolarHBondContact SG-O 3.48Å; C515-G518 PolarHBondContact O-N 3.15Å; C515-G518 VanDerWaalsContact O-N 3.16Å; A516-G518 PolarHBondContact O-N 2.73Å; A516-G518 VanDerWaalsContact O-N 3.07Å
519	H	96.3	Very high	95.5	Very high	46 Å²	46	45 Å²	45	21%	0.213	25%	0.248	C	C	.	.			trans	-93.8	119	179.2	-63.1	177.7	0	0	0	112.1	T479 P481 A516 R517 V529	T479-H519 WeakPolarHBondContact O-CA 3.41Å; P481-H519 HydrophobicContact CG-CB 4.34Å; A516-H519 PolarHBondContact O-N 3.44Å; A516-H519 VanDerWaalsContact O-N 3.13Å; R517-H519 PolarHBondContact O-CD2 3.2Å; H519-V529 HydrophobicContact CB-CB 3.99Å; H519-V529 HydrophobicContact CB-CG2 4.02Å; H519-V529 PolarHBondContact O-N 3.14Å
520	C	96.9	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-157.1	162.7	178.6	74.4	0	0	0	0	113.5	F476 T479 C511 C515 G522 Q527	F476-C520 WeakPolarHBondContact CD1-SG 3.45Å; T479-C520 CarbonylContact C-O 3.58Å; T479-C520 PolarHBondContact O-N 2.8Å; T479-C520 VanDerWaalsContact O-N 3.12Å; T479-C520 PolarHBondContact OG1-O 3.1Å; C511-C520 WeakPolarHBondContact CA-SG 3.2Å; C511-C520 HydrophobicContact CB-CB 3.84Å; C511-C520 WeakPolarHBondContact CB-SG 3.08Å; C511-C520 WeakPolarHBondContact SG-CB 3.3Å; C511-C520 PolarHBondContact SG-N 3.17Å; C511-C520 VanDerWaalsContact SG-N 3.4Å; C511-C520 CovalentContact SG-SG 2.03Å; C511-C520 PolarHBondContact SG-SG 2.81Å; C515-C520 HydrophobicContact CB-CB 4.5Å; C520-G522 PolarHBondContact SG-O 3.07Å; C520-Q527 CarbonylContact C-O 3.5Å; C520-Q527 VanDerWaalsContact CA-O 3.23Å; C520-Q527 WeakPolarHBondContact CA-O 3.12Å; C520-Q527 WeakPolarHBondContact CB-O 3.29Å
521	W	96.9	Very high	95.6	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	25%	0.249	C	C	.	.	S	Bend	trans	-97.3	0.9	180	-67.5	100.1	0	0	0	114.6	L453 G454 L455 L458 V480 W482 L485 Q527	L453-W521 HydrophobicContact CB-CE3 3.97Å; L453-W521 HydrophobicContact CD1-CE3 3.99Å; L453-W521 HydrophobicContact CD1-CZ3 3.92Å; L453-W521 PolarHBondContact N-O 2.89Å; G454-W521 PolarHBondContact N-O 2.87Å; L455-W521 HydrophobicContact CB-CD2 4.29Å; L455-W521 HydrophobicContact CB-CE3 3.9Å; L455-W521 HydrophobicContact CB-CH2 4.41Å; L455-W521 HydrophobicContact CB-CZ3 3.98Å; L455-W521 HydrophobicContact CD1-CZ3 4.42Å; L458-W521 HydrophobicContact CB-CH2 4.09Å; L458-W521 HydrophobicContact CB-CZ2 3.88Å; L458-W521 HydrophobicContact CD2-CH2 3.84Å; L458-W521 HydrophobicContact CD2-CZ2 4.46Å; L458-W521 HydrophobicContact CG-CH2 4.24Å; L458-W521 HydrophobicContact CG-CZ2 4.39Å; L458-W521 WeakPolarHBondContact O-CZ2 3.42Å; V480-W521 HydrophobicContact CB-CE3 4.46Å; V480-W521 HydrophobicContact CB-CZ3 4.32Å; V480-W521 HydrophobicContact CG1-CE3 4.19Å; V480-W521 HydrophobicContact CG1-CH2 3.49Å; V480-W521 VanDerWaalsContact CG1-CH2 3.49Å; V480-W521 HydrophobicContact CG1-CZ2 3.89Å; V480-W521 HydrophobicContact CG1-CZ3 3.67Å; V480-W521 HydrophobicContact CG2-CD2 3.78Å; V480-W521 HydrophobicContact CG2-CE3 3.4Å; V480-W521 VanDerWaalsContact CG2-CE3 3.4Å; V480-W521 HydrophobicContact CG2-CG 4.4Å; V480-W521 HydrophobicContact CG2-CH2 4.28Å; V480-W521 HydrophobicContact CG2-CZ3 3.68Å; W482-W521 HydrophobicContact CH2-CZ3 4.27Å; L485-W521 HydrophobicContact CD1-CH2 3.6Å; L485-W521 HydrophobicContact CD1-CZ2 3.91Å; L485-W521 HydrophobicContact CD2-CZ2 4.4Å; W521-Q527 PolarHBondContact N-O 3.27Å
522	G	96.1	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	162	-175.1	-170.9	0	0	0	0	0	112.1	C520 Q527	C520-G522 PolarHBondContact SG-O 3.07Å; G522-Q527 WeakPolarHBondContact O-CB 3.48Å
523	P	95.1	Very high	95.3	Very high	47 Å²	47	48.3 Å²	48.3	31%	0.305	26%	0.261	S	S	.	.	S	Bend	trans	-73.2	151.3	-177.7	30.3	-34.2	0	0	0	113	W452 F476 Q527	W452-P523 HydrophobicContact CD2-CG 3.94Å; W452-P523 HydrophobicContact CE3-CG 3.9Å; W452-P523 HydrophobicContact CH2-CG 4.23Å; W452-P523 HydrophobicContact CZ2-CG 4.25Å; W452-P523 HydrophobicContact CZ3-CG 4.05Å; F476-P523 HydrophobicContact CZ-CB 4.11Å; P523-Q527 WeakPolarHBondContact O-CG 3.23Å
524	G	94.7	Very high	95.4	Very high	24 Å²	24	42.2 Å²	42.2	25%	0.247	23%	0.232	C	C	.	.	S	Bend	trans	89.8	166.9	170.7	0	0	0	0	0	116.3	T526 Q527	G524-T526 PolarHBondContact O-N 2.95Å; G524-Q527 PolarHBondContact O-N 3.08Å
525	P	96.1	Very high	95.3	Very high	27 Å²	27	42.8 Å²	42.8	18%	0.175	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.4	-174.8	26.4	-34.7	0	0	0	114.9	E539 C540	P525-E539 HydrophobicContact CB-CG 3.9Å; P525-E539 HydrophobicContact CG-CG 3.84Å; P525-C540 HydrophobicContact CB-CB 4.32Å; P525-C540 WeakPolarHBondContact CB-O 3.41Å; P525-C540 PolarHBondContact O-N 3.39Å
526	T	96.1	Very high	95.2	Very high	55 Å²	55	44.8 Å²	44.8	34%	0.337	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.1	-178.8	51.7	0	0	0	0	114.2	R456 G524 Q538 E539	R456-T526 WeakPolarHBondContact CD-O 3.37Å; G524-T526 PolarHBondContact O-N 2.95Å; T526-Q538 WeakPolarHBondContact CA-O 3.04Å; T526-E539 HydrophobicContact CG2-CB 4.05Å; T526-E539 HydrophobicContact CG2-CG 4.15Å
527	Q	96.8	Very high	95.1	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.061	26%	0.26	C	S	.	.	S	Bend	trans	-109.2	0.6	-177.2	-64.3	-66.7	-6.9	0	0	113.2	C520 W521 G522 P523 G524	C520-Q527 CarbonylContact C-O 3.5Å; C520-Q527 VanDerWaalsContact CA-O 3.23Å; C520-Q527 WeakPolarHBondContact CA-O 3.12Å; C520-Q527 WeakPolarHBondContact CB-O 3.29Å; W521-Q527 PolarHBondContact N-O 3.27Å; G522-Q527 WeakPolarHBondContact O-CB 3.48Å; P523-Q527 WeakPolarHBondContact O-CG 3.23Å; G524-Q527 PolarHBondContact O-N 3.08Å
528	C	96.1	Very high	95	Very high	16 Å²	16	41.1 Å²	41.1	11%	0.108	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-67.3	136.7	179.2	-57.3	0	0	0	0	111.9	C515 N530 C540	C515-C528 WeakPolarHBondContact CA-SG 3.48Å; C515-C528 HydrophobicContact CB-CB 3.63Å; C515-C528 WeakPolarHBondContact CB-SG 3.47Å; C515-C528 PolarHBondContact N-SG 3.03Å; C515-C528 WeakPolarHBondContact SG-CA 3.09Å; C515-C528 WeakPolarHBondContact SG-CB 3Å; C515-C528 CovalentContact SG-SG 2.04Å; C515-C528 PolarHBondContact SG-SG 3.1Å; C528-N530 VanDerWaalsContact C-N 3.3Å; C528-N530 PolarHBondContact O-N 3.12Å; C528-C540 VanDerWaalsContact CB-SG 3.52Å
529	V	94.5	Very high	95.1	Very high	37 Å²	37	43.5 Å²	43.5	22%	0.224	25%	0.247	C	C	.	.	S	Bend	trans	-70.2	-30.1	175.9	-178.8	0	0	0	0	111.7	P481 H519	P481-V529 HydrophobicContact CG-CG1 4.05Å; P481-V529 HydrophobicContact CG-CG2 4.3Å; H519-V529 HydrophobicContact CB-CB 3.99Å; H519-V529 HydrophobicContact CB-CG2 4.02Å; H519-V529 PolarHBondContact O-N 3.14Å
530	N	93.9	Very high	95.1	Very high	105 Å²	105	41.5 Å²	41.5	56%	0.561	24%	0.238	S	C	*	.	S	Bend	trans	-151.6	148.9	171.6	-91.5	-82.4	0	0	0	108.7	A516 C528	A516-N530 HydrophobicContact CB-CB 4Å; A516-N530 WeakPolarHBondContact CB-O 3.49Å; A516-N530 PolarHBondContact N-O 2.96Å; C528-N530 VanDerWaalsContact C-N 3.3Å; C528-N530 PolarHBondContact O-N 3.12Å
531	C	94.8	Very high	95	Very high	15 Å²	15	42.2 Å²	42.2	10%	0.101	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-85.3	140.4	174.8	-52.5	0	0	0	0	112	L514 F534 L535 C540 R558	L514-C531 CarbonylContact O-C 3.58Å; L514-C531 WeakPolarHBondContact O-CA 3.32Å; C531-F534 WeakPolarHBondContact CB-O 3.44Å; C531-F534 PolarHBondContact SG-O 3.06Å; C531-L535 WeakPolarHBondContact SG-CD1 3.5Å; C531-C540 WeakPolarHBondContact CA-SG 3.38Å; C531-C540 HydrophobicContact CB-CB 3.72Å; C531-C540 WeakPolarHBondContact CB-SG 3.01Å; C531-C540 WeakPolarHBondContact SG-CA 3.39Å; C531-C540 WeakPolarHBondContact SG-CB 3.2Å; C531-C540 CovalentContact SG-SG 2.03Å; C531-C540 PolarHBondContact SG-SG 3.03Å; C531-R558 PolarHBondContact O-NH1 2.8Å
532	S	94.2	Very high	94.9	Very high	43 Å²	43	49 Å²	49	30%	0.301	27%	0.274	S	S	.	.	S	Bend	trans	-65	-42.8	172.8	60.9	0	0	0	0	111.4	L514 R558	L514-S532 WeakPolarHBondContact CA-OG 3.49Å; L514-S532 PolarHBondContact O-N 2.8Å; L514-S532 PolarHBondContact O-OG 3.4Å; S532-R558 PolarHBondContact O-NH1 3.05Å
533	Q	93.2	Very high	94.8	Very high	100 Å²	100	56.3 Å²	56.3	47%	0.467	31%	0.308	S	S	.	.	S	Bend	trans	-103.4	-103.9	175.5	-55.7	-64.6	11	0	0	111.3	R558	Q533-R558 PolarHBondContact O-NH1 2.84Å
534	F	96	Very high	94.8	Very high	55 Å²	55	54.8 Å²	54.8	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	161.9	-173.2	-53.1	-80	0	0	0	112.9	C531 C540 V541 E542 C544 V555 R558	C531-F534 WeakPolarHBondContact CB-O 3.44Å; C531-F534 PolarHBondContact SG-O 3.06Å; F534-C540 WeakPolarHBondContact O-CA 3.35Å; F534-V541 HydrophobicContact CB-CG2 4.18Å; F534-V541 PolarHBondContact N-O 3.48Å; F534-V541 PolarHBondContact O-N 2.7Å; F534-E542 VanDerWaalsContact CD2-O 3.31Å; F534-E542 WeakPolarHBondContact CD2-O 3.33Å; F534-C544 VanDerWaalsContact CG-SG 3.6Å; F534-V555 HydrophobicContact CD1-CG1 4.04Å; F534-V555 HydrophobicContact CE1-CG1 3.81Å; F534-V555 HydrophobicContact CE1-CG2 4.19Å; F534-R558 CarbonylContact C-O 3.57Å; F534-R558 WeakPolarHBondContact CA-O 3.45Å; F534-R558 WeakPolarHBondContact CB-O 3.31Å
535	L	95.1	Very high	94.8	Very high	34 Å²	34	58 Å²	58	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.3	173.4	-174.4	74.6	0	0	0	110	C531 G537 R558 H559 C560	C531-L535 WeakPolarHBondContact SG-CD1 3.5Å; L535-G537 WeakPolarHBondContact CD2-O 3.39Å; L535-R558 PolarHBondContact N-O 3.25Å; L535-H559 CarbonylContact O-C 3.55Å; L535-H559 WeakPolarHBondContact O-CA 3.39Å; L535-C560 PolarHBondContact O-N 3.29Å
536	R	94.7	Very high	94.7	Very high	50 Å²	50	58.3 Å²	58.3	19%	0.189	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	104.6	169.7	179.6	179.7	-70.4	104	14.5	108.7	Q538 E539 V541 E543 E553 C560	R536-Q538 PolarHBondContact O-N 2.7Å; R536-E539 PolarHBondContact N-O 3.12Å; R536-E539 PolarHBondContact O-N 2.97Å; R536-V541 HydrophobicContact CB-CG1 4.17Å; R536-V541 HydrophobicContact CB-CG2 3.95Å; R536-E543 PolarHBondContact NH2-O 3.23Å; R536-E553 IonicContact CZ-OE1 3.31Å; R536-E553 IonicContact CZ-OE2 3.57Å; R536-E553 IonicContact NE-OE1 3.92Å; R536-E553 PolarHBondContact NE-OE1 3.38Å; R536-E553 IonicContact NE-OE2 2.86Å; R536-E553 PolarHBondContact NE-OE2 3.26Å; R536-E553 IonicContact NH2-OE1 3.12Å; R536-E553 IonicContact NH2-OE2 3.47Å; R536-E553 PolarHBondContact NH2-OE2 3.2Å; R536-C560 HydrophobicContact CB-CB 4.16Å
537	G	91.6	Very high	94.5	Very high	57 Å²	57	60.4 Å²	60.4	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-96.1	-174.5	0	0	0	0	0	111.6	L535	L535-G537 WeakPolarHBondContact CD2-O 3.39Å
538	Q	91.9	Very high	94.1	Very high	104 Å²	104	67.9 Å²	67.9	49%	0.486	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	24.2	178.3	-65	-71.2	4.9	0	0	112.3	T526 R536	T526-Q538 WeakPolarHBondContact CA-O 3.04Å; R536-Q538 PolarHBondContact O-N 2.7Å
539	E	95.5	Very high	93.8	Very high	85 Å²	85	68.7 Å²	68.7	40%	0.397	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.5	-179.2	-175	-177.3	-156	0	0	110.8	P525 T526 R536 V541	P525-E539 HydrophobicContact CB-CG 3.9Å; P525-E539 HydrophobicContact CG-CG 3.84Å; T526-E539 HydrophobicContact CG2-CB 4.05Å; T526-E539 HydrophobicContact CG2-CG 4.15Å; R536-E539 PolarHBondContact N-O 3.12Å; R536-E539 PolarHBondContact O-N 2.97Å; E539-V541 HydrophobicContact CG-CG1 4.12Å
540	C	96.3	Very high	93.3	Very high	3 Å²	3	72.9 Å²	72.9	2%	0.02	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	130.4	173.1	-66.2	0	0	0	0	111.5	L514 P525 C528 C531 F534	L514-C540 HydrophobicContact CB-CB 3.86Å; L514-C540 VanDerWaalsContact CD1-O 3.25Å; L514-C540 WeakPolarHBondContact CD1-O 3.49Å; P525-C540 HydrophobicContact CB-CB 4.32Å; P525-C540 WeakPolarHBondContact CB-O 3.41Å; P525-C540 PolarHBondContact O-N 3.39Å; C528-C540 VanDerWaalsContact CB-SG 3.52Å; C531-C540 WeakPolarHBondContact CA-SG 3.38Å; C531-C540 HydrophobicContact CB-CB 3.72Å; C531-C540 WeakPolarHBondContact CB-SG 3.01Å; C531-C540 WeakPolarHBondContact SG-CA 3.39Å; C531-C540 WeakPolarHBondContact SG-CB 3.2Å; C531-C540 CovalentContact SG-SG 2.03Å; C531-C540 PolarHBondContact SG-SG 3.03Å; F534-C540 WeakPolarHBondContact O-CA 3.35Å
541	V	96.3	Very high	93.3	Very high	15 Å²	15	71.5 Å²	71.5	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.3	-172.4	-61.2	0	0	0	0	111.8	F534 R536 E539	F534-V541 HydrophobicContact CB-CG2 4.18Å; F534-V541 PolarHBondContact N-O 3.48Å; F534-V541 PolarHBondContact O-N 2.7Å; R536-V541 HydrophobicContact CB-CG1 4.17Å; R536-V541 HydrophobicContact CB-CG2 3.95Å; E539-V541 HydrophobicContact CG-CG1 4.12Å
542	E	94.3	Very high	93.2	Very high	143 Å²	143	71.4 Å²	71.4	67%	0.668	37%	0.374	S	S	*	.	S	Bend	trans	-66.8	-41.7	-178.8	-68.9	175	179.7	0	0	112.5	L514 F534	L514-E542 HydrophobicContact CD1-CG 4.09Å; L514-E542 HydrophobicContact CD2-CG 3.76Å; F534-E542 VanDerWaalsContact CD2-O 3.31Å; F534-E542 WeakPolarHBondContact CD2-O 3.33Å
543	E	94.3	Very high	93.3	Very high	154 Å²	154	69.8 Å²	69.8	72%	0.72	36%	0.361	S	S	*	.			trans	-141.2	148.7	-176.8	-62.5	-169.7	167.1	0	0	113.3	R536	R536-E543 PolarHBondContact NH2-O 3.23Å
544	C	94.3	Very high	93.4	Very high	15 Å²	15	66.2 Å²	66.2	10%	0.101	34%	0.344	C	S	.	.			trans	-88.3	151.6	167.4	-56.3	0	0	0	0	111.2	F534 V546 E553 V555 C560	F534-C544 VanDerWaalsContact CG-SG 3.6Å; C544-V546 HydrophobicContact CB-CG2 3.96Å; C544-V546 PolarHBondContact O-N 3.38Å; C544-E553 WeakPolarHBondContact CA-OE2 3.44Å; C544-E553 HydrophobicContact CB-CB 4.42Å; C544-V555 HydrophobicContact CB-CG2 4.01Å; C544-C560 WeakPolarHBondContact CA-SG 3.02Å; C544-C560 HydrophobicContact CB-CB 3.72Å; C544-C560 WeakPolarHBondContact CB-SG 3.35Å; C544-C560 WeakPolarHBondContact SG-CA 3.42Å; C544-C560 WeakPolarHBondContact SG-CB 3.48Å; C544-C560 CovalentContact SG-SG 2.04Å; C544-C560 PolarHBondContact SG-SG 3.3Å
545	R	94.8	Very high	93.3	Very high	91 Å²	91	66.8 Å²	66.8	34%	0.343	35%	0.352	S	S	.	.	S	Bend	trans	-76.5	49.9	-175.4	-61.2	171.7	-169	179.1	10.1	113	Q548 L550 P551 R552 E553	R545-Q548 CarbonylContact C-O 3.51Å; R545-Q548 WeakPolarHBondContact CA-O 3.12Å; R545-Q548 WeakPolarHBondContact CB-O 3.48Å; R545-L550 PolarHBondContact NH1-O 2.8Å; R545-P551 WeakPolarHBondContact CB-O 3.33Å; R545-P551 WeakPolarHBondContact CD-O 3.29Å; R545-R552 WeakPolarHBondContact O-CA 3.45Å; R545-R552 WeakPolarHBondContact O-CD 3.31Å; R545-E553 HydrophobicContact CB-CB 4.11Å; R545-E553 HydrophobicContact CB-CG 3.94Å; R545-E553 WeakPolarHBondContact CD-OE1 3.23Å; R545-E553 PolarHBondContact N-OE2 3.01Å; R545-E553 IonicContact NE-OE1 2.71Å; R545-E553 PolarHBondContact O-N 3.45Å
546	V	93.9	Very high	93.3	Very high	34 Å²	34	69.6 Å²	69.6	21%	0.206	37%	0.367	C	S	.	.	S	Bend	trans	-75.1	-54.8	-173.9	-179.9	0	0	0	0	110.5	C544 R552 E553 V555 V574	C544-V546 HydrophobicContact CB-CG2 3.96Å; C544-V546 PolarHBondContact O-N 3.38Å; V546-R552 PolarHBondContact O-NH1 3.13Å; V546-E553 WeakPolarHBondContact CA-O 3.23Å; V546-E553 WeakPolarHBondContact CG2-O 3.41Å; V546-V555 HydrophobicContact CG2-CG2 4.04Å; V546-V574 HydrophobicContact CG1-CB 4.21Å; V546-V574 HydrophobicContact CG1-CG2 4.05Å
547	L	91.8	Very high	93.1	Very high	100 Å²	100	71 Å²	71	52%	0.524	39%	0.389	S	S	.	.	S	Bend	trans	-95.2	-26.2	-176.7	-56.7	-178.7	0	0	0	113.5	R552 S573	L547-R552 VanDerWaalsContact C-NH1 3.3Å; L547-R552 VanDerWaalsContact O-CZ 3.25Å; L547-R552 PolarHBondContact O-NH1 3.07Å; L547-R552 VanDerWaalsContact O-NH1 3.13Å; L547-R552 PolarHBondContact O-NH2 2.72Å; L547-S573 VanDerWaalsContact CD2-C 3.44Å
548	Q	89.5	Confident	93.1	Very high	169 Å²	169	75.2 Å²	75.2	79%	0.79	39%	0.387	S	S	*	.	S	Bend	trans	-151.1	151.4	-175.6	-177	167.7	-19.3	0	0	110.4	R545	R545-Q548 CarbonylContact C-O 3.51Å; R545-Q548 WeakPolarHBondContact CA-O 3.12Å; R545-Q548 WeakPolarHBondContact CB-O 3.48Å
549	G	87.9	Confident	93.2	Very high	33 Å²	33	74.2 Å²	74.2	34%	0.34	38%	0.382	S	S	.	.	S	Bend	trans	107.6	167.1	-176.2	0	0	0	0	0	113.3	R552	G549-R552 WeakPolarHBondContact O-CD 3.31Å; G549-R552 PolarHBondContact O-NE 2.87Å
550	L	85.6	Confident	93.2	Very high	126 Å²	126	70.5 Å²	70.5	66%	0.66	37%	0.366	S	S	*	.	S	Bend	trans	-136.8	140.5	174.3	-69.4	175.6	0	0	0	109.3	R545 P569	R545-L550 PolarHBondContact NH1-O 2.8Å; L550-P569 HydrophobicContact CD2-CG 4.15Å
551	P	92.4	Very high	93.2	Very high	76 Å²	76	73 Å²	73	49%	0.494	38%	0.378	S	S	.	.	S	Bend	cis	-56.6	161.6	-15.5	29.8	-36.9	0	0	0	111.2	R545	R545-P551 WeakPolarHBondContact CB-O 3.33Å; R545-P551 WeakPolarHBondContact CD-O 3.29Å
552	R	94.2	Very high	93.1	Very high	12 Å²	12	76 Å²	76	5%	0.045	40%	0.398	C	S	.	.			trans	-76.7	145.5	170.8	-74.3	-66.5	-169.2	106.6	12	109.7	R545 V546 L547 G549 P562 C563 P569 Q570 N571 S573 T575	R545-R552 WeakPolarHBondContact O-CA 3.45Å; R545-R552 WeakPolarHBondContact O-CD 3.31Å; V546-R552 PolarHBondContact O-NH1 3.13Å; L547-R552 VanDerWaalsContact C-NH1 3.3Å; L547-R552 VanDerWaalsContact O-CZ 3.25Å; L547-R552 PolarHBondContact O-NH1 3.07Å; L547-R552 VanDerWaalsContact O-NH1 3.13Å; L547-R552 PolarHBondContact O-NH2 2.72Å; G549-R552 WeakPolarHBondContact O-CD 3.31Å; G549-R552 PolarHBondContact O-NE 2.87Å; R552-P562 WeakPolarHBondContact O-CA 3.06Å; R552-C563 HydrophobicContact CB-CB 4.45Å; R552-C563 PolarHBondContact O-N 3.45Å; R552-P569 HydrophobicContact CG-CB 4.01Å; R552-P569 HydrophobicContact CG-CG 4.39Å; R552-Q570 VanDerWaalsContact CZ-O 3.28Å; R552-Q570 PolarHBondContact NH1-O 2.87Å; R552-Q570 PolarHBondContact NH2-O 2.9Å; R552-N571 PolarHBondContact NH2-OD1 2.92Å; R552-N571 VanDerWaalsContact NH2-OD1 3.16Å; R552-S573 PolarHBondContact NH1-O 2.94Å; R552-S573 VanDerWaalsContact NH1-O 3.08Å; R552-T575 HydrophobicContact CB-CG2 3.84Å; R552-T575 HydrophobicContact CG-CG2 4.02Å; R552-T575 WeakPolarHBondContact CG-OG1 3.24Å; R552-T575 PolarHBondContact NH1-OG1 3.05Å
553	E	96	Very high	93.2	Very high	9 Å²	9	69.9 Å²	69.9	4%	0.042	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.5	-172.8	-67.6	164.8	-178.9	0	0	110.9	R536 C544 R545 V546 C560 L561	R536-E553 IonicContact CZ-OE1 3.31Å; R536-E553 IonicContact CZ-OE2 3.57Å; R536-E553 IonicContact NE-OE1 3.92Å; R536-E553 PolarHBondContact NE-OE1 3.38Å; R536-E553 IonicContact NE-OE2 2.86Å; R536-E553 PolarHBondContact NE-OE2 3.26Å; R536-E553 IonicContact NH2-OE1 3.12Å; R536-E553 IonicContact NH2-OE2 3.47Å; R536-E553 PolarHBondContact NH2-OE2 3.2Å; C544-E553 WeakPolarHBondContact CA-OE2 3.44Å; C544-E553 HydrophobicContact CB-CB 4.42Å; R545-E553 HydrophobicContact CB-CB 4.11Å; R545-E553 HydrophobicContact CB-CG 3.94Å; R545-E553 WeakPolarHBondContact CD-OE1 3.23Å; R545-E553 PolarHBondContact N-OE2 3.01Å; R545-E553 IonicContact NE-OE1 2.71Å; R545-E553 PolarHBondContact O-N 3.45Å; V546-E553 WeakPolarHBondContact CA-O 3.23Å; V546-E553 WeakPolarHBondContact CG2-O 3.41Å; E553-C560 WeakPolarHBondContact OE2-CB 3.13Å; E553-L561 CarbonylContact C-O 3.46Å; E553-L561 WeakPolarHBondContact CA-O 3.47Å; E553-L561 WeakPolarHBondContact CB-O 3.46Å
554	Y	95.2	Very high	93.2	Very high	25 Å²	25	65.6 Å²	65.6	10%	0.098	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	168	162.5	72.4	-77.7	0	0	0	109.8	N556 L561 P562 P579	Y554-N556 HydrophobicContact CD2-CB 4.39Å; Y554-N556 HydrophobicContact CE2-CB 3.86Å; Y554-L561 HydrophobicContact CD1-CB 4.07Å; Y554-L561 WeakPolarHBondContact CD1-O 3.4Å; Y554-L561 HydrophobicContact CE1-CB 3.45Å; Y554-L561 VanDerWaalsContact CE1-CB 3.45Å; Y554-L561 HydrophobicContact CE2-CB 4.26Å; Y554-L561 HydrophobicContact CE2-CD1 4.19Å; Y554-L561 PolarHBondContact N-O 2.93Å; Y554-L561 PolarHBondContact O-N 2.83Å; Y554-L561 VanDerWaalsContact OH-CD1 3.31Å; Y554-L561 WeakPolarHBondContact OH-CD1 3.38Å; Y554-P562 WeakPolarHBondContact CE1-O 3.1Å; Y554-P579 HydrophobicContact CE1-CB 4Å; Y554-P579 WeakPolarHBondContact OH-CB 3.22Å; Y554-P579 VanDerWaalsContact OH-CD 3.28Å; Y554-P579 WeakPolarHBondContact OH-CD 3.33Å; Y554-P579 WeakPolarHBondContact OH-CG 3.37Å
555	V	94.8	Very high	93.2	Very high	68 Å²	68	70.2 Å²	70.2	41%	0.412	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.3	179.1	-177.1	0	0	0	0	109.6	F534 C544 V546 H559	F534-V555 HydrophobicContact CD1-CG1 4.04Å; F534-V555 HydrophobicContact CE1-CG1 3.81Å; F534-V555 HydrophobicContact CE1-CG2 4.19Å; C544-V555 HydrophobicContact CB-CG2 4.01Å; V546-V555 HydrophobicContact CG2-CG2 4.04Å; V555-H559 WeakPolarHBondContact CA-O 2.92Å
556	N	93.5	Very high	93.3	Very high	92 Å²	92	67 Å²	67	49%	0.492	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	126.5	167.3	-176.5	16.1	0	0	0	109.8	Y554 R558 H559 L561	Y554-N556 HydrophobicContact CD2-CB 4.39Å; Y554-N556 HydrophobicContact CE2-CB 3.86Å; N556-R558 VanDerWaalsContact C-N 3.26Å; N556-R558 PolarHBondContact O-N 2.75Å; N556-R558 VanDerWaalsContact O-N 3.13Å; N556-H559 PolarHBondContact N-O 2.97Å; N556-H559 VanDerWaalsContact N-O 3.08Å; N556-H559 WeakPolarHBondContact O-CA 3.5Å; N556-H559 WeakPolarHBondContact O-CB 3.37Å; N556-H559 PolarHBondContact O-N 2.75Å; N556-L561 HydrophobicContact CB-CD1 3.98Å
557	A	90.3	Very high	93.3	Very high	79 Å²	79	65.8 Å²	65.8	65%	0.653	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.8	46.9	179.4	0	0	0	0	0	113.9	H559	A557-H559 PolarHBondContact O-N 2.72Å; A557-H559 PolarHBondContact O-ND1 2.83Å
558	R	91.4	Very high	93.4	Very high	147 Å²	147	65.4 Å²	65.4	56%	0.555	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	-0.1	-173.2	-57	176.6	167.9	-123.3	-7.6	117.1	C531 S532 Q533 F534 L535 N556	C531-R558 PolarHBondContact O-NH1 2.8Å; S532-R558 PolarHBondContact O-NH1 3.05Å; Q533-R558 PolarHBondContact O-NH1 2.84Å; F534-R558 CarbonylContact C-O 3.57Å; F534-R558 WeakPolarHBondContact CA-O 3.45Å; F534-R558 WeakPolarHBondContact CB-O 3.31Å; L535-R558 PolarHBondContact N-O 3.25Å; N556-R558 VanDerWaalsContact C-N 3.26Å; N556-R558 PolarHBondContact O-N 2.75Å; N556-R558 VanDerWaalsContact O-N 3.13Å
559	H	94.4	Very high	93.6	Very high	82 Å²	82	60.3 Å²	60.3	38%	0.38	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.3	175.3	-62.2	65.5	0	0	0	110.4	L535 V555 N556 A557 L561	L535-H559 CarbonylContact O-C 3.55Å; L535-H559 WeakPolarHBondContact O-CA 3.39Å; V555-H559 WeakPolarHBondContact CA-O 2.92Å; N556-H559 PolarHBondContact N-O 2.97Å; N556-H559 VanDerWaalsContact N-O 3.08Å; N556-H559 WeakPolarHBondContact O-CA 3.5Å; N556-H559 WeakPolarHBondContact O-CB 3.37Å; N556-H559 PolarHBondContact O-N 2.75Å; A557-H559 PolarHBondContact O-N 2.72Å; A557-H559 PolarHBondContact O-ND1 2.83Å; H559-L561 HydrophobicContact CB-CD2 4.2Å; H559-L561 HydrophobicContact CB-CG 4.11Å
560	C	96	Very high	93.9	Very high	7 Å²	7	60.9 Å²	60.9	5%	0.047	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.4	166.5	-52.6	0	0	0	0	108.6	L535 R536 C544 E553	L535-C560 PolarHBondContact O-N 3.29Å; R536-C560 HydrophobicContact CB-CB 4.16Å; C544-C560 WeakPolarHBondContact CA-SG 3.02Å; C544-C560 HydrophobicContact CB-CB 3.72Å; C544-C560 WeakPolarHBondContact CB-SG 3.35Å; C544-C560 WeakPolarHBondContact SG-CA 3.42Å; C544-C560 WeakPolarHBondContact SG-CB 3.48Å; C544-C560 CovalentContact SG-SG 2.04Å; C544-C560 PolarHBondContact SG-SG 3.3Å; E553-C560 WeakPolarHBondContact OE2-CB 3.13Å
561	L	95.7	Very high	94	Very high	55 Å²	55	62 Å²	62	29%	0.288	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.2	-177.5	-62.9	178.1	0	0	0	110	E553 Y554 N556 H559	E553-L561 CarbonylContact C-O 3.46Å; E553-L561 WeakPolarHBondContact CA-O 3.47Å; E553-L561 WeakPolarHBondContact CB-O 3.46Å; Y554-L561 HydrophobicContact CD1-CB 4.07Å; Y554-L561 WeakPolarHBondContact CD1-O 3.4Å; Y554-L561 HydrophobicContact CE1-CB 3.45Å; Y554-L561 VanDerWaalsContact CE1-CB 3.45Å; Y554-L561 HydrophobicContact CE2-CB 4.26Å; Y554-L561 HydrophobicContact CE2-CD1 4.19Å; Y554-L561 PolarHBondContact N-O 2.93Å; Y554-L561 PolarHBondContact O-N 2.83Å; Y554-L561 VanDerWaalsContact OH-CD1 3.31Å; Y554-L561 WeakPolarHBondContact OH-CD1 3.38Å; N556-L561 HydrophobicContact CB-CD1 3.98Å; H559-L561 HydrophobicContact CB-CD2 4.2Å; H559-L561 HydrophobicContact CB-CG 4.11Å
562	P	95.1	Very high	93.8	Very high	78 Å²	78	61.8 Å²	61.8	51%	0.506	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.9	-176.1	29	-35	0	0	0	111.9	R552 Y554	R552-P562 WeakPolarHBondContact O-CA 3.06Å; Y554-P562 WeakPolarHBondContact CE1-O 3.1Å
563	C	95.3	Very high	93.7	Very high	15 Å²	15	63.9 Å²	63.9	10%	0.101	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.8	157.1	164.7	-65.7	0	0	0	0	111.3	R552 C567 T575 C576	R552-C563 HydrophobicContact CB-CB 4.45Å; R552-C563 PolarHBondContact O-N 3.45Å; C563-C567 HydrophobicContact CB-CB 4.09Å; C563-T575 HydrophobicContact CB-CG2 4.49Å; C563-C576 WeakPolarHBondContact CA-SG 3.22Å; C563-C576 HydrophobicContact CB-CB 3.73Å; C563-C576 WeakPolarHBondContact CB-SG 3.34Å; C563-C576 WeakPolarHBondContact SG-CB 3.46Å; C563-C576 CovalentContact SG-SG 2.03Å; C563-C576 PolarHBondContact SG-SG 2.89Å
564	H	95.5	Very high	93.6	Very high	64 Å²	64	65.2 Å²	65.2	30%	0.296	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-55.6	141.7	169.7	-167.9	-103.7	0	0	0	111	E566 C567 A581	H564-E566 WeakPolarHBondContact ND1-CB 3.5Å; H564-E566 PolarHBondContact ND1-N 2.77Å; H564-E566 PolarHBondContact O-N 2.94Å; H564-E566 VanDerWaalsContact O-N 3.08Å; H564-C567 WeakPolarHBondContact O-CB 3.02Å; H564-C567 PolarHBondContact O-N 3.35Å; H564-C567 PolarHBondContact O-SG 3.01Å; H564-C567 VanDerWaalsContact O-SG 3.41Å; H564-A581 WeakPolarHBondContact ND1-CB 3.28Å
565	P	95.1	Very high	93.6	Very high	112 Å²	112	64 Å²	64	73%	0.727	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-26.9	-178.3	-28.6	36.7	0	0	0	114.9	C567	P565-C567 VanDerWaalsContact C-N 3.27Å; P565-C567 PolarHBondContact O-N 3.4Å
566	E	95	Very high	93.6	Very high	25 Å²	25	60.9 Å²	60.9	12%	0.117	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.8	176.3	-60.4	-60.4	131.1	0	0	114.3	H564 C587 A588 H589 C596 A598	H564-E566 WeakPolarHBondContact ND1-CB 3.5Å; H564-E566 PolarHBondContact ND1-N 2.77Å; H564-E566 PolarHBondContact O-N 2.94Å; H564-E566 VanDerWaalsContact O-N 3.08Å; E566-C587 CarbonylContact O-C 3.51Å; E566-C587 WeakPolarHBondContact O-CA 3.29Å; E566-A588 WeakPolarHBondContact O-CB 3.23Å; E566-A588 PolarHBondContact O-N 3.04Å; E566-H589 IonicContact OE1-CE1 2.68Å; E566-H589 IonicContact OE1-ND1 2.81Å; E566-H589 IonicContact OE2-CE1 3.55Å; E566-H589 IonicContact OE2-CG 3.42Å; E566-H589 IonicContact OE2-ND1 2.72Å; E566-H589 PolarHBondContact OE2-ND1 2.89Å; E566-C596 HydrophobicContact CB-CB 3.73Å; E566-A598 WeakPolarHBondContact OE1-CB 3.37Å; E566-A598 WeakPolarHBondContact OE2-CA 3.44Å; E566-A598 PolarHBondContact OE2-N 3.37Å
567	C	95	Very high	93.7	Very high	8 Å²	8	63.5 Å²	63.5	5%	0.054	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-82.6	116.1	175.1	-58.2	0	0	0	0	111.1	C563 H564 P565 P569 T575 C584	C563-C567 HydrophobicContact CB-CB 4.09Å; H564-C567 WeakPolarHBondContact O-CB 3.02Å; H564-C567 PolarHBondContact O-N 3.35Å; H564-C567 PolarHBondContact O-SG 3.01Å; H564-C567 VanDerWaalsContact O-SG 3.41Å; P565-C567 VanDerWaalsContact C-N 3.27Å; P565-C567 PolarHBondContact O-N 3.4Å; C567-P569 WeakPolarHBondContact O-CD 3.15Å; C567-T575 HydrophobicContact CB-CG2 3.77Å; C567-C584 WeakPolarHBondContact CA-SG 3.27Å; C567-C584 HydrophobicContact CB-CB 3.67Å; C567-C584 WeakPolarHBondContact CB-SG 3.39Å; C567-C584 PolarHBondContact N-SG 3.16Å; C567-C584 WeakPolarHBondContact SG-CA 3.2Å; C567-C584 WeakPolarHBondContact SG-CB 3.42Å; C567-C584 CovalentContact SG-SG 2.04Å; C567-C584 PolarHBondContact SG-SG 3.09Å
568	Q	93.7	Very high	93.8	Very high	91 Å²	91	59.9 Å²	59.9	43%	0.425	33%	0.331	S	S	.	.			trans	-66.7	123	179.1	-171.1	-167.7	44.8	0	0	111.2	Q570 T575 A586	Q568-Q570 PolarHBondContact O-N 3.06Å; Q568-Q570 VanDerWaalsContact O-N 3.14Å; Q568-Q570 PolarHBondContact O-NE2 3.19Å; Q568-T575 WeakPolarHBondContact O-CG2 3.29Å; Q568-A586 HydrophobicContact CB-CB 4.26Å; Q568-A586 PolarHBondContact N-O 3.38Å
569	P	94.1	Very high	93.9	Very high	62 Å²	62	56 Å²	56	40%	0.403	32%	0.324	S	S	.	.			trans	-59.9	114.8	-178.7	-26.9	36.2	0	0	0	114	L550 R552 C567 N571	L550-P569 HydrophobicContact CD2-CG 4.15Å; R552-P569 HydrophobicContact CG-CB 4.01Å; R552-P569 HydrophobicContact CG-CG 4.39Å; C567-P569 WeakPolarHBondContact O-CD 3.15Å; P569-N571 PolarHBondContact O-N 3.19Å
570	Q	93.3	Very high	93.9	Very high	45 Å²	45	57.2 Å²	57.2	21%	0.21	33%	0.33	C	S	.	.			trans	-88.8	102.7	-176.1	-61	-57.8	-60.4	0	0	111.2	R552 Q568 G572 S573 V574 T575 V585	R552-Q570 VanDerWaalsContact CZ-O 3.28Å; R552-Q570 PolarHBondContact NH1-O 2.87Å; R552-Q570 PolarHBondContact NH2-O 2.9Å; Q568-Q570 PolarHBondContact O-N 3.06Å; Q568-Q570 VanDerWaalsContact O-N 3.14Å; Q568-Q570 PolarHBondContact O-NE2 3.19Å; Q570-G572 PolarHBondContact O-N 3.06Å; Q570-S573 PolarHBondContact O-N 2.81Å; Q570-V574 WeakPolarHBondContact CB-O 3.46Å; Q570-V574 WeakPolarHBondContact CG-O 3.31Å; Q570-T575 PolarHBondContact N-OG1 2.71Å; Q570-V585 HydrophobicContact CG-CB 4.12Å; Q570-V585 HydrophobicContact CG-CG1 4.06Å
571	N	89.1	Confident	93.7	Very high	150 Å²	150	57.4 Å²	57.4	80%	0.802	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	121.9	-178.1	-71.7	-22.3	0	0	0	111.4	R552 P569 S573	R552-N571 PolarHBondContact NH2-OD1 2.92Å; R552-N571 VanDerWaalsContact NH2-OD1 3.16Å; P569-N571 PolarHBondContact O-N 3.19Å; N571-S573 VanDerWaalsContact C-N 3.32Å
572	G	87.1	Confident	93.6	Very high	71 Å²	71	57.7 Å²	57.7	73%	0.732	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	6.4	-175.7	0	0	0	0	0	115.2	Q570	Q570-G572 PolarHBondContact O-N 3.06Å
573	S	91.6	Very high	93.6	Very high	56 Å²	56	56.7 Å²	56.7	39%	0.392	32%	0.323	S	S	.	.	S	Bend	trans	-142.2	171.2	177.1	-167	0	0	0	0	111.7	L547 R552 Q570 N571	L547-S573 VanDerWaalsContact CD2-C 3.44Å; R552-S573 PolarHBondContact NH1-O 2.94Å; R552-S573 VanDerWaalsContact NH1-O 3.08Å; Q570-S573 PolarHBondContact O-N 2.81Å; N571-S573 VanDerWaalsContact C-N 3.32Å
574	V	94.2	Very high	93.5	Very high	38 Å²	38	56.5 Å²	56.5	23%	0.23	32%	0.322	C	S	.	.			trans	-66.5	143.3	171.7	60.1	0	0	0	0	110.4	V546 Q570 C576 F577 V585	V546-V574 HydrophobicContact CG1-CB 4.21Å; V546-V574 HydrophobicContact CG1-CG2 4.05Å; Q570-V574 WeakPolarHBondContact CB-O 3.46Å; Q570-V574 WeakPolarHBondContact CG-O 3.31Å; V574-C576 WeakPolarHBondContact CG2-O 3.25Å; V574-F577 HydrophobicContact CG1-CE1 3.81Å; V574-F577 HydrophobicContact CG1-CZ 3.93Å; V574-F577 HydrophobicContact CG2-CE1 4.44Å; V574-V585 HydrophobicContact CG1-CG2 4.32Å; V574-V585 WeakPolarHBondContact O-CG2 3.32Å
575	T	95.1	Very high	93.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.326	C	S	.	.			trans	-98.4	-34.4	-177.9	-66.8	0	0	0	0	113.6	R552 C563 C567 Q568 Q570 V585	R552-T575 HydrophobicContact CB-CG2 3.84Å; R552-T575 HydrophobicContact CG-CG2 4.02Å; R552-T575 WeakPolarHBondContact CG-OG1 3.24Å; R552-T575 PolarHBondContact NH1-OG1 3.05Å; C563-T575 HydrophobicContact CB-CG2 4.49Å; C567-T575 HydrophobicContact CB-CG2 3.77Å; Q568-T575 WeakPolarHBondContact O-CG2 3.29Å; Q570-T575 PolarHBondContact N-OG1 2.71Å; T575-V585 PolarHBondContact O-N 2.9Å
576	C	95.3	Very high	93.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-148.5	158.7	177	68.1	0	0	0	0	110.6	C563 V574 G578 Q583	C563-C576 WeakPolarHBondContact CA-SG 3.22Å; C563-C576 HydrophobicContact CB-CB 3.73Å; C563-C576 WeakPolarHBondContact CB-SG 3.34Å; C563-C576 WeakPolarHBondContact SG-CB 3.46Å; C563-C576 CovalentContact SG-SG 2.03Å; C563-C576 PolarHBondContact SG-SG 2.89Å; V574-C576 WeakPolarHBondContact CG2-O 3.25Å; C576-G578 PolarHBondContact SG-O 2.77Å; C576-G578 VanDerWaalsContact SG-O 3.38Å; C576-Q583 CarbonylContact C-O 3.39Å; C576-Q583 VanDerWaalsContact CA-O 3.24Å; C576-Q583 WeakPolarHBondContact CA-O 3.39Å
577	F	94.9	Very high	93.3	Very high	148 Å²	148	52.7 Å²	52.7	65%	0.649	31%	0.307	S	S	*	.	S	Bend	trans	-101	-5.2	174.9	-60.2	-72.5	0	0	0	113.5	V574 Q583 V585	V574-F577 HydrophobicContact CG1-CE1 3.81Å; V574-F577 HydrophobicContact CG1-CZ 3.93Å; V574-F577 HydrophobicContact CG2-CE1 4.44Å; F577-Q583 PolarHBondContact N-O 3.46Å; F577-V585 HydrophobicContact CD2-CG2 4.32Å; F577-V585 HydrophobicContact CE2-CG2 3.63Å; F577-V585 HydrophobicContact CZ-CG2 4.01Å
578	G	93.6	Very high	93.3	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.031	32%	0.32	C	S	.	.	S	Bend	trans	-176.1	-168.7	-179.9	0	0	0	0	0	112	C576 Q583	C576-G578 PolarHBondContact SG-O 2.77Å; C576-G578 VanDerWaalsContact SG-O 3.38Å; G578-Q583 VanDerWaalsContact C-OE1 3.31Å
579	P	93.3	Very high	93.2	Very high	64 Å²	64	55.3 Å²	55.3	42%	0.416	33%	0.325	S	S	.	.	S	Bend	trans	-85.2	-14.8	-168.7	32.7	-32.2	0	0	0	114.2	Y554 Q583	Y554-P579 HydrophobicContact CE1-CB 4Å; Y554-P579 WeakPolarHBondContact OH-CB 3.22Å; Y554-P579 VanDerWaalsContact OH-CD 3.28Å; Y554-P579 WeakPolarHBondContact OH-CD 3.33Å; Y554-P579 WeakPolarHBondContact OH-CG 3.37Å; P579-Q583 VanDerWaalsContact CD-OE1 3.29Å
580	E	93.7	Very high	93.1	Very high	108 Å²	108	56.4 Å²	56.4	51%	0.505	32%	0.322	S	S	.	.	S	Bend	trans	-90.9	158.4	-172.7	-68.9	-176.6	-127.7	0	0	113.3	D582 Q583	E580-D582 VanDerWaalsContact C-N 3.26Å; E580-D582 WeakPolarHBondContact CB-OD1 3.34Å; E580-D582 PolarHBondContact O-N 3Å; E580-Q583 PolarHBondContact O-N 3.01Å; E580-Q583 VanDerWaalsContact O-N 3.12Å
581	A	93	Very high	93	Very high	11 Å²	11	58.6 Å²	58.6	9%	0.091	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	-171.8	0	0	0	0	0	114.5	H564 F595 C596	H564-A581 WeakPolarHBondContact ND1-CB 3.28Å; A581-F595 HydrophobicContact CB-CB 4.1Å; A581-F595 HydrophobicContact CB-CD1 4.31Å; A581-C596 WeakPolarHBondContact O-CB 3.44Å; A581-C596 PolarHBondContact O-N 2.87Å; A581-C596 PolarHBondContact O-SG 2.85Å; A581-C596 VanDerWaalsContact O-SG 3.42Å
582	D	92.6	Very high	92.9	Very high	62 Å²	62	52.9 Å²	52.9	33%	0.332	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-23	171.1	67	-35.8	0	0	0	112.4	E580 C584 P594 F595	E580-D582 VanDerWaalsContact C-N 3.26Å; E580-D582 WeakPolarHBondContact CB-OD1 3.34Å; E580-D582 PolarHBondContact O-N 3Å; D582-C584 VanDerWaalsContact C-N 3.31Å; D582-C584 PolarHBondContact O-N 2.95Å; D582-P594 HydrophobicContact CB-CB 4.12Å; D582-P594 HydrophobicContact CB-CG 4.45Å; D582-F595 HydrophobicContact CB-CD1 3.79Å; D582-F595 HydrophobicContact CB-CE1 4.12Å
583	Q	94.9	Very high	92.8	Very high	57 Å²	57	53.9 Å²	53.9	27%	0.266	29%	0.294	S	S	.	.	S	Bend	trans	-88	4.6	-176.6	-68.1	152.3	28.5	0	0	113.3	C576 F577 G578 P579 E580	C576-Q583 CarbonylContact C-O 3.39Å; C576-Q583 VanDerWaalsContact CA-O 3.24Å; C576-Q583 WeakPolarHBondContact CA-O 3.39Å; F577-Q583 PolarHBondContact N-O 3.46Å; G578-Q583 VanDerWaalsContact C-OE1 3.31Å; P579-Q583 VanDerWaalsContact CD-OE1 3.29Å; E580-Q583 PolarHBondContact O-N 3.01Å; E580-Q583 VanDerWaalsContact O-N 3.12Å
584	C	94.4	Very high	92.5	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.074	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-68.6	139.3	168	-58.3	0	0	0	0	111.5	C567 D582	C567-C584 WeakPolarHBondContact CA-SG 3.27Å; C567-C584 HydrophobicContact CB-CB 3.67Å; C567-C584 WeakPolarHBondContact CB-SG 3.39Å; C567-C584 PolarHBondContact N-SG 3.16Å; C567-C584 WeakPolarHBondContact SG-CA 3.2Å; C567-C584 WeakPolarHBondContact SG-CB 3.42Å; C567-C584 CovalentContact SG-SG 2.04Å; C567-C584 PolarHBondContact SG-SG 3.09Å; D582-C584 VanDerWaalsContact C-N 3.31Å; D582-C584 PolarHBondContact O-N 2.95Å
585	V	94.5	Very high	92.3	Very high	63 Å²	63	57.1 Å²	57.1	38%	0.382	31%	0.305	S	S	.	.	S	Bend	trans	-67.5	-38.3	173	172.8	0	0	0	0	111.5	Q570 V574 T575 F577	Q570-V585 HydrophobicContact CG-CB 4.12Å; Q570-V585 HydrophobicContact CG-CG1 4.06Å; V574-V585 HydrophobicContact CG1-CG2 4.32Å; V574-V585 WeakPolarHBondContact O-CG2 3.32Å; T575-V585 PolarHBondContact O-N 2.9Å; F577-V585 HydrophobicContact CD2-CG2 4.32Å; F577-V585 HydrophobicContact CE2-CG2 3.63Å; F577-V585 HydrophobicContact CZ-CG2 4.01Å
586	A	92.9	Very high	92.3	Very high	30 Å²	30	57.3 Å²	57.3	25%	0.248	31%	0.306	C	S	.	.	S	Bend	trans	-146.6	152.3	172.1	0	0	0	0	0	110.2	Q568	Q568-A586 HydrophobicContact CB-CB 4.26Å; Q568-A586 PolarHBondContact N-O 3.38Å
587	C	93.8	Very high	92.1	Very high	28 Å²	28	58.9 Å²	58.9	19%	0.189	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-84.9	144	179.3	-53.8	0	0	0	0	111.3	E566 Y590 C596	E566-C587 CarbonylContact O-C 3.51Å; E566-C587 WeakPolarHBondContact O-CA 3.29Å; C587-Y590 WeakPolarHBondContact CB-O 3.48Å; C587-C596 WeakPolarHBondContact CA-SG 3.01Å; C587-C596 HydrophobicContact CB-CB 3.55Å; C587-C596 WeakPolarHBondContact CB-SG 3.4Å; C587-C596 WeakPolarHBondContact SG-CA 3.2Å; C587-C596 WeakPolarHBondContact SG-CB 3.44Å; C587-C596 CovalentContact SG-SG 2.03Å; C587-C596 PolarHBondContact SG-SG 2.8Å
588	A	93.3	Very high	92	Very high	42 Å²	42	54.5 Å²	54.5	35%	0.347	31%	0.307	S	S	.	.	S	Bend	trans	-76.5	-31.8	178.1	0	0	0	0	0	113.1	E566	E566-A588 WeakPolarHBondContact O-CB 3.23Å; E566-A588 PolarHBondContact O-N 3.04Å
589	H	92.3	Very high	91.7	Very high	112 Å²	112	63 Å²	63	52%	0.519	34%	0.338	S	S	.	.	S	Bend	trans	-122.2	-81.5	-179.4	-55.2	106.3	0	0	0	111.8	E566	E566-H589 IonicContact OE1-CE1 2.68Å; E566-H589 IonicContact OE1-ND1 2.81Å; E566-H589 IonicContact OE2-CE1 3.55Å; E566-H589 IonicContact OE2-CG 3.42Å; E566-H589 IonicContact OE2-ND1 2.72Å; E566-H589 PolarHBondContact OE2-ND1 2.89Å
590	Y	92.2	Very high	91.4	Very high	85 Å²	85	60.2 Å²	60.2	33%	0.333	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	167.4	-176.4	-53.3	-77	0	0	0	111.8	C587 C596 V597 A598 P617 G621	C587-Y590 WeakPolarHBondContact CB-O 3.48Å; Y590-C596 WeakPolarHBondContact O-CA 3.19Å; Y590-V597 WeakPolarHBondContact CB-O 3.32Å; Y590-V597 PolarHBondContact N-O 2.04Å; Y590-V597 PolarHBondContact O-N 3.08Å; Y590-A598 WeakPolarHBondContact CD2-O 3.2Å; Y590-P617 HydrophobicContact CD1-CB 3.51Å; Y590-P617 HydrophobicContact CD1-CG 4.26Å; Y590-P617 HydrophobicContact CE1-CB 3.5Å; Y590-P617 VanDerWaalsContact CE1-CB 3.5Å; Y590-P617 HydrophobicContact CE1-CG 3.81Å; Y590-P617 HydrophobicContact CG-CB 4.48Å; Y590-G621 CarbonylContact C-O 3.55Å; Y590-G621 VanDerWaalsContact CA-O 3.26Å; Y590-G621 WeakPolarHBondContact CA-O 3.44Å; Y590-G621 WeakPolarHBondContact CB-O 3.19Å
591	K	91.1	Very high	90.9	Very high	90 Å²	90	56.3 Å²	56.3	39%	0.391	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119	175.8	-168.3	163.2	-171.7	157.5	0	111.5	P594 G621 A622 C623	K591-P594 WeakPolarHBondContact CE-O 3.1Å; K591-G621 PolarHBondContact N-O 3.43Å; K591-A622 CarbonylContact O-C 3.56Å; K591-A622 WeakPolarHBondContact O-CA 3.36Å; K591-C623 PolarHBondContact O-N 3.38Å
592	D	87.3	Confident	90.1	Very high	31 Å²	31	57.8 Å²	57.8	17%	0.166	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	96.3	169.8	-169.7	18.1	0	0	0	109.5	F595 V597 P601 K615 C623	D592-F595 CarbonylContact C-O 3.47Å; D592-F595 PolarHBondContact N-O 2.98Å; D592-F595 PolarHBondContact O-N 3.21Å; D592-F595 VanDerWaalsContact O-O 3.12Å; D592-V597 HydrophobicContact CB-CG1 4.11Å; D592-V597 HydrophobicContact CB-CG2 3.87Å; D592-P601 WeakPolarHBondContact OD2-CD 3.08Å; D592-P601 WeakPolarHBondContact OD2-CG 3.41Å; D592-K615 IonicContact OD1-NZ 3.05Å; D592-K615 PolarHBondContact OD1-NZ 3.04Å; D592-C623 HydrophobicContact CB-CB 3.92Å
593	P	84.8	Confident	89.1	Confident	92 Å²	92	56.1 Å²	56.1	60%	0.597	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	128	-162.8	-30.2	36.1	0	0	0	114.3
594	P	84.9	Confident	87.9	Confident	72 Å²	72	57 Å²	57	47%	0.468	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.9	-15.6	10	33.2	-36.7	0	0	0	116.4	D582 K591	D582-P594 HydrophobicContact CB-CB 4.12Å; D582-P594 HydrophobicContact CB-CG 4.45Å; K591-P594 WeakPolarHBondContact CE-O 3.1Å
595	F	91.2	Very high	86.6	Confident	90 Å²	90	63 Å²	63	40%	0.395	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	153.2	-161.2	-51	-75.6	0	0	0	115	A581 D582 D592	A581-F595 HydrophobicContact CB-CB 4.1Å; A581-F595 HydrophobicContact CB-CD1 4.31Å; D582-F595 HydrophobicContact CB-CD1 3.79Å; D582-F595 HydrophobicContact CB-CE1 4.12Å; D592-F595 CarbonylContact C-O 3.47Å; D592-F595 PolarHBondContact N-O 2.98Å; D592-F595 PolarHBondContact O-N 3.21Å; D592-F595 VanDerWaalsContact O-O 3.12Å
596	C	93.6	Very high	85.3	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.02	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.7	163	-63	0	0	0	0	111.3	E566 A581 C587 Y590	E566-C596 HydrophobicContact CB-CB 3.73Å; A581-C596 WeakPolarHBondContact O-CB 3.44Å; A581-C596 PolarHBondContact O-N 2.87Å; A581-C596 PolarHBondContact O-SG 2.85Å; A581-C596 VanDerWaalsContact O-SG 3.42Å; C587-C596 WeakPolarHBondContact CA-SG 3.01Å; C587-C596 HydrophobicContact CB-CB 3.55Å; C587-C596 WeakPolarHBondContact CB-SG 3.4Å; C587-C596 WeakPolarHBondContact SG-CA 3.2Å; C587-C596 WeakPolarHBondContact SG-CB 3.44Å; C587-C596 CovalentContact SG-SG 2.03Å; C587-C596 PolarHBondContact SG-SG 2.8Å; Y590-C596 WeakPolarHBondContact O-CA 3.19Å
597	V	91.8	Very high	83.9	Confident	34 Å²	34	66.1 Å²	66.1	21%	0.206	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	142.7	-175.1	-61.7	0	0	0	0	112.6	Y590 D592 R599	Y590-V597 WeakPolarHBondContact CB-O 3.32Å; Y590-V597 PolarHBondContact N-O 2.04Å; Y590-V597 PolarHBondContact O-N 3.08Å; D592-V597 HydrophobicContact CB-CG1 4.11Å; D592-V597 HydrophobicContact CB-CG2 3.87Å; V597-R599 PolarHBondContact O-N 2.85Å
598	A	91.9	Very high	82.4	Confident	57 Å²	57	72.9 Å²	72.9	47%	0.471	39%	0.393	S	S	.	.	S	Bend	trans	-64.7	-23.6	177.1	0	0	0	0	0	113.8	E566 Y590	E566-A598 WeakPolarHBondContact OE1-CB 3.37Å; E566-A598 WeakPolarHBondContact OE2-CA 3.44Å; E566-A598 PolarHBondContact OE2-N 3.37Å; Y590-A598 WeakPolarHBondContact CD2-O 3.2Å
599	R	89.1	Confident	80.7	Confident	181 Å²	181	75.8 Å²	75.8	68%	0.683	41%	0.411	S	S	*	.	S	Bend	trans	-159	141.6	178.2	-170	175.3	-176.7	161.7	4.7	110.2	V597	V597-R599 PolarHBondContact O-N 2.85Å
600	C	86.5	Confident	79.2	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.034	41%	0.414	C	S	.	.			trans	-61.5	142.7	173.7	-62.5	0	0	0	0	112.3	S602 K615 C623	C600-S602 PolarHBondContact O-N 3.45Å; C600-K615 HydrophobicContact CB-CB 4.08Å; C600-C623 WeakPolarHBondContact CA-SG 3.4Å; C600-C623 HydrophobicContact CB-CB 3.66Å; C600-C623 WeakPolarHBondContact CB-SG 3.02Å; C600-C623 WeakPolarHBondContact SG-CA 3.46Å; C600-C623 WeakPolarHBondContact SG-CB 3.07Å; C600-C623 CovalentContact SG-SG 2.04Å; C600-C623 PolarHBondContact SG-SG 3.24Å
601	P	82.9	Confident	77.9	Confident	27 Å²	27	81.2 Å²	81.2	18%	0.175	44%	0.436	C	S	.	.			trans	-63.1	121.7	-175.4	-21.9	29.6	0	0	0	114	D592 V604 I613 W614 K615	D592-P601 WeakPolarHBondContact OD2-CD 3.08Å; D592-P601 WeakPolarHBondContact OD2-CG 3.41Å; P601-V604 HydrophobicContact CB-CG1 4.41Å; P601-V604 HydrophobicContact CB-CG2 3.64Å; P601-I613 HydrophobicContact CB-CG2 4.46Å; P601-W614 CarbonylContact O-C 3.55Å; P601-W614 WeakPolarHBondContact O-CA 3.41Å; P601-K615 HydrophobicContact CG-CD 4.29Å; P601-K615 PolarHBondContact O-N 3.19Å
602	S	77.1	Confident	76.9	Confident	42 Å²	42	79.5 Å²	79.5	29%	0.294	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.8	-178.7	-69.4	0	0	0	0	111.3	C600 V604	C600-S602 PolarHBondContact O-N 3.45Å; S602-V604 VanDerWaalsContact C-N 3.31Å; S602-V604 PolarHBondContact O-N 2.04Å
603	G	70.2	Confident	76.2	Confident	27 Å²	27	81.1 Å²	81.1	28%	0.278	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.1	9.5	177.6	0	0	0	0	0	114.6	I613 W614	G603-I613 PolarHBondContact N-O 3.46Å; G603-W614 VanDerWaalsContact N-CE3 3.31Å
604	V	69.9	Low	75.9	Confident	74 Å²	74	80.1 Å²	80.1	45%	0.448	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.1	176.8	-58.9	0	0	0	0	110.5	P601 S602 P612 I613	P601-V604 HydrophobicContact CB-CG1 4.41Å; P601-V604 HydrophobicContact CB-CG2 3.64Å; S602-V604 VanDerWaalsContact C-N 3.31Å; S602-V604 PolarHBondContact O-N 2.04Å; V604-P612 CarbonylContact O-C 3.52Å; V604-P612 VanDerWaalsContact O-CA 3.27Å; V604-P612 WeakPolarHBondContact O-CA 3.29Å; V604-I613 HydrophobicContact CG2-CB 4.09Å; V604-I613 PolarHBondContact N-O 3Å; V604-I613 PolarHBondContact O-N 3.38Å
605	K	68.1	Low	75.7	Confident	138 Å²	138	78.6 Å²	78.6	60%	0.6	41%	0.412	S	S	*	.			trans	-102.2	116.1	174.5	-67.1	-176.6	178.6	-176.1	0	109.4	D607 P612	K605-D607 PolarHBondContact O-N 3.44Å; K605-P612 HydrophobicContact CG-CB 4.5Å; K605-P612 HydrophobicContact CG-CG 4.27Å
606	P	66.2	Low	75.3	Confident	79 Å²	79	77.7 Å²	77.7	51%	0.513	41%	0.408	S	S	.	.	S	Bend	trans	-58.9	-31.7	176.3	-28	35.3	0	0	0	114.2	Y610 I613	P606-Y610 HydrophobicContact CB-CD1 4.49Å; P606-Y610 HydrophobicContact CG-CD1 4.05Å; P606-I613 HydrophobicContact CG-CD1 3.49Å; P606-I613 VanDerWaalsContact CG-CD1 3.49Å; P606-I613 HydrophobicContact CG-CG1 3.82Å
607	D	63.6	Low	74.9	Confident	80 Å²	80	79.6 Å²	79.6	43%	0.428	42%	0.421	S	S	.	.	S	Bend	trans	-148.8	163.8	175.3	169.8	54.1	0	0	0	109.5	K605 S609 Y610	K605-D607 PolarHBondContact O-N 3.44Å; D607-S609 PolarHBondContact O-N 3.17Å; D607-S609 VanDerWaalsContact O-N 3.12Å; D607-S609 VanDerWaalsContact OD2-CB 3.28Å; D607-S609 WeakPolarHBondContact OD2-CB 3.07Å; D607-S609 PolarHBondContact OD2-N 2.87Å; D607-S609 PolarHBondContact OD2-OG 2.94Å; D607-Y610 PolarHBondContact O-N 3.07Å; D607-Y610 VanDerWaalsContact O-N 3.13Å
608	L	63.4	Low	74.6	Confident	170 Å²	170	79.8 Å²	79.8	89%	0.89	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-29.3	172.4	-72.3	165.9	0	0	0	113.7
609	S	57	Low	74.3	Confident	102 Å²	102	86.2 Å²	86.2	71%	0.713	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.9	-179.3	70.1	0	0	0	0	115.5	D607	D607-S609 PolarHBondContact O-N 3.17Å; D607-S609 VanDerWaalsContact O-N 3.12Å; D607-S609 VanDerWaalsContact OD2-CB 3.28Å; D607-S609 WeakPolarHBondContact OD2-CB 3.07Å; D607-S609 PolarHBondContact OD2-N 2.87Å; D607-S609 PolarHBondContact OD2-OG 2.94Å
610	Y	60.9	Low	74	Confident	153 Å²	153	85.6 Å²	85.6	60%	0.6	45%	0.446	S	S	*	.	S	Bend	trans	-92.4	155	-165.8	-139.8	-96.3	0	0	0	113.8	P606 D607	P606-Y610 HydrophobicContact CB-CD1 4.49Å; P606-Y610 HydrophobicContact CG-CD1 4.05Å; D607-Y610 PolarHBondContact O-N 3.07Å; D607-Y610 VanDerWaalsContact O-N 3.13Å
611	M	65.2	Low	73.8	Confident	158 Å²	158	86.1 Å²	86.1	78%	0.778	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-63.2	143.2	172.4	-83.4	-175.6	154.3	0	0	111.1	I613	M611-I613 PolarHBondContact O-N 2.99Å
612	P	69.3	Low	74.1	Confident	54 Å²	54	86 Å²	86	35%	0.351	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-62.4	128.4	174.6	-19.3	31.6	0	0	0	111.2	V604 K605	V604-P612 CarbonylContact O-C 3.52Å; V604-P612 VanDerWaalsContact O-CA 3.27Å; V604-P612 WeakPolarHBondContact O-CA 3.29Å; K605-P612 HydrophobicContact CG-CB 4.5Å; K605-P612 HydrophobicContact CG-CG 4.27Å
613	I	73.6	Confident	74.6	Confident	66 Å²	66	84.2 Å²	84.2	34%	0.338	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131	172.2	-65.4	-177.2	0	0	0	108.6	P601 G603 V604 P606 M611 K615	P601-I613 HydrophobicContact CB-CG2 4.46Å; G603-I613 PolarHBondContact N-O 3.46Å; V604-I613 HydrophobicContact CG2-CB 4.09Å; V604-I613 PolarHBondContact N-O 3Å; V604-I613 PolarHBondContact O-N 3.38Å; P606-I613 HydrophobicContact CG-CD1 3.49Å; P606-I613 VanDerWaalsContact CG-CD1 3.49Å; P606-I613 HydrophobicContact CG-CG1 3.82Å; M611-I613 PolarHBondContact O-N 2.99Å; I613-K615 HydrophobicContact CG2-CD 4.34Å; I613-K615 HydrophobicContact CG2-CG 3.99Å
614	W	77.5	Confident	75.3	Confident	70 Å²	70	86.9 Å²	86.9	27%	0.265	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124.8	170.3	-60.6	93.9	0	0	0	109	P601 G603 C626	P601-W614 CarbonylContact O-C 3.55Å; P601-W614 WeakPolarHBondContact O-CA 3.41Å; G603-W614 VanDerWaalsContact N-CE3 3.31Å; W614-C626 HydrophobicContact CB-CB 3.94Å; W614-C626 VanDerWaalsContact CB-SG 3.52Å; W614-C626 PolarHBondContact O-N 3.37Å
615	K	82	Confident	75.9	Confident	40 Å²	40	87.3 Å²	87.3	17%	0.174	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	147.9	176.3	-71.4	-176.1	160.8	-142.4	0	110.4	D592 C600 P601 I613 C623 Q624	D592-K615 IonicContact OD1-NZ 3.05Å; D592-K615 PolarHBondContact OD1-NZ 3.04Å; C600-K615 HydrophobicContact CB-CB 4.08Å; P601-K615 HydrophobicContact CG-CD 4.29Å; P601-K615 PolarHBondContact O-N 3.19Å; I613-K615 HydrophobicContact CG2-CD 4.34Å; I613-K615 HydrophobicContact CG2-CG 3.99Å; K615-C623 HydrophobicContact CB-CB 4.22Å; K615-C623 HydrophobicContact CD-CB 3.98Å; K615-C623 WeakPolarHBondContact CD-O 3.47Å; K615-C623 PolarHBondContact NZ-O 2.89Å; K615-Q624 CarbonylContact C-O 3.56Å; K615-Q624 WeakPolarHBondContact CA-O 3.49Å; K615-Q624 WeakPolarHBondContact CB-O 3.07Å
616	F	81.9	Confident	76.1	Confident	71 Å²	71	81.4 Å²	81.4	31%	0.311	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.3	173.3	68.1	-75.8	0	0	0	109.1	C623 Q624 C634 V635	F616-C623 CarbonylContact O-C 3.57Å; F616-C623 WeakPolarHBondContact O-CA 3.47Å; F616-Q624 HydrophobicContact CD1-CB 4.27Å; F616-Q624 VanDerWaalsContact CD1-O 3.31Å; F616-Q624 WeakPolarHBondContact CD1-O 3.15Å; F616-Q624 HydrophobicContact CE1-CB 3.74Å; F616-Q624 HydrophobicContact CE2-CB 4.39Å; F616-Q624 HydrophobicContact CZ-CB 3.81Å; F616-Q624 PolarHBondContact N-O 3.47Å; F616-Q624 PolarHBondContact O-N 2.98Å; F616-C634 WeakPolarHBondContact CD1-SG 3.17Å; F616-V635 HydrophobicContact CB-CG2 4.16Å
617	P	85.7	Confident	76.3	Confident	43 Å²	43	81.9 Å²	81.9	28%	0.279	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139.2	170.3	31.5	-33.3	0	0	0	110.4	Y590 A622	Y590-P617 HydrophobicContact CD1-CB 3.51Å; Y590-P617 HydrophobicContact CD1-CG 4.26Å; Y590-P617 HydrophobicContact CE1-CB 3.5Å; Y590-P617 VanDerWaalsContact CE1-CB 3.5Å; Y590-P617 HydrophobicContact CE1-CG 3.81Å; Y590-P617 HydrophobicContact CG-CB 4.48Å; P617-A622 WeakPolarHBondContact CA-O 3.4Å
618	D	85.6	Confident	76.2	Confident	39 Å²	39	86.4 Å²	86.4	21%	0.209	45%	0.452	C	S	.	.			trans	-81	178.6	160.4	55.1	31.7	0	0	0	111.7	E620 G621 A622 Q624	D618-E620 PolarHBondContact O-N 2.67Å; D618-E620 PolarHBondContact OD1-N 2.9Å; D618-G621 PolarHBondContact O-N 3.46Å; D618-G621 PolarHBondContact OD1-N 2.89Å; D618-A622 PolarHBondContact N-O 3.49Å; D618-A622 WeakPolarHBondContact OD1-CA 3.36Å; D618-A622 PolarHBondContact OD1-N 3.1Å; D618-Q624 HydrophobicContact CB-CG 4.07Å; D618-Q624 VanDerWaalsContact OD2-CG 3.24Å; D618-Q624 WeakPolarHBondContact OD2-CG 3.31Å; D618-Q624 PolarHBondContact OD2-NE2 3.26Å
619	E	83.9	Confident	75.9	Confident	192 Å²	192	85.6 Å²	85.6	90%	0.897	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.7	179.4	-58.6	-69.4	163.2	0	0	111.9	G621	E619-G621 VanDerWaalsContact C-N 3.29Å
620	E	82.7	Confident	75.5	Confident	167 Å²	167	82.5 Å²	82.5	78%	0.78	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.9	173.4	-65.8	76.2	-166.5	0	0	113.7	D618	D618-E620 PolarHBondContact O-N 2.67Å; D618-E620 PolarHBondContact OD1-N 2.9Å
621	G	84.1	Confident	75.3	Confident	16 Å²	16	81.3 Å²	81.3	17%	0.165	44%	0.435	C	S	.	.	S	Bend	trans	79	11.9	178	0	0	0	0	0	115.1	Y590 K591 D618 E619	Y590-G621 CarbonylContact C-O 3.55Å; Y590-G621 VanDerWaalsContact CA-O 3.26Å; Y590-G621 WeakPolarHBondContact CA-O 3.44Å; Y590-G621 WeakPolarHBondContact CB-O 3.19Å; K591-G621 PolarHBondContact N-O 3.43Å; D618-G621 PolarHBondContact O-N 3.46Å; D618-G621 PolarHBondContact OD1-N 2.89Å; E619-G621 VanDerWaalsContact C-N 3.29Å
622	A	88.8	Confident	74.8	Confident	26 Å²	26	77.3 Å²	77.3	22%	0.215	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-88.6	143.4	175.3	0	0	0	0	0	112	K591 P617 D618 Q624	K591-A622 CarbonylContact O-C 3.56Å; K591-A622 WeakPolarHBondContact O-CA 3.36Å; P617-A622 WeakPolarHBondContact CA-O 3.4Å; D618-A622 PolarHBondContact N-O 3.49Å; D618-A622 WeakPolarHBondContact OD1-CA 3.36Å; D618-A622 PolarHBondContact OD1-N 3.1Å; A622-Q624 PolarHBondContact O-N 3.39Å
623	C	87.4	Confident	74.3	Confident	4 Å²	4	76.5 Å²	76.5	3%	0.027	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	94	-172.3	-62.5	0	0	0	0	112.6	K591 D592 C600 K615 F616	K591-C623 PolarHBondContact O-N 3.38Å; D592-C623 HydrophobicContact CB-CB 3.92Å; C600-C623 WeakPolarHBondContact CA-SG 3.4Å; C600-C623 HydrophobicContact CB-CB 3.66Å; C600-C623 WeakPolarHBondContact CB-SG 3.02Å; C600-C623 WeakPolarHBondContact SG-CA 3.46Å; C600-C623 WeakPolarHBondContact SG-CB 3.07Å; C600-C623 CovalentContact SG-SG 2.04Å; C600-C623 PolarHBondContact SG-SG 3.24Å; K615-C623 HydrophobicContact CB-CB 4.22Å; K615-C623 HydrophobicContact CD-CB 3.98Å; K615-C623 WeakPolarHBondContact CD-O 3.47Å; K615-C623 PolarHBondContact NZ-O 2.89Å; F616-C623 CarbonylContact O-C 3.57Å; F616-C623 WeakPolarHBondContact O-CA 3.47Å
624	Q	85.2	Confident	73.7	Confident	83 Å²	83	74.2 Å²	74.2	39%	0.388	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	144	179	-58.5	-58.7	-17.7	0	0	112.2	K615 F616 D618 A622	K615-Q624 CarbonylContact C-O 3.56Å; K615-Q624 WeakPolarHBondContact CA-O 3.49Å; K615-Q624 WeakPolarHBondContact CB-O 3.07Å; F616-Q624 HydrophobicContact CD1-CB 4.27Å; F616-Q624 VanDerWaalsContact CD1-O 3.31Å; F616-Q624 WeakPolarHBondContact CD1-O 3.15Å; F616-Q624 HydrophobicContact CE1-CB 3.74Å; F616-Q624 HydrophobicContact CE2-CB 4.39Å; F616-Q624 HydrophobicContact CZ-CB 3.81Å; F616-Q624 PolarHBondContact N-O 3.47Å; F616-Q624 PolarHBondContact O-N 2.98Å; D618-Q624 HydrophobicContact CB-CG 4.07Å; D618-Q624 VanDerWaalsContact OD2-CG 3.24Å; D618-Q624 WeakPolarHBondContact OD2-CG 3.31Å; D618-Q624 PolarHBondContact OD2-NE2 3.26Å; A622-Q624 PolarHBondContact O-N 3.39Å
625	P	81.5	Confident	72.8	Confident	83 Å²	83	74.1 Å²	74.1	54%	0.539	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.5	177.4	29.4	-34.1	0	0	0	112.3
626	C	73.6	Confident	71.4	Confident	13 Å²	13	78.2 Å²	78.2	9%	0.088	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-60.2	146.6	169.9	-64.8	0	0	0	0	110.7	W614 I628 C634	W614-C626 HydrophobicContact CB-CB 3.94Å; W614-C626 VanDerWaalsContact CB-SG 3.52Å; W614-C626 PolarHBondContact O-N 3.37Å; C626-I628 PolarHBondContact O-N 3.16Å; C626-C634 HydrophobicContact CB-CB 3.78Å; C626-C634 WeakPolarHBondContact CB-SG 3.32Å; C626-C634 WeakPolarHBondContact SG-CB 3.15Å; C626-C634 CovalentContact SG-SG 2.04Å; C626-C634 PolarHBondContact SG-SG 3.07Å
627	P	69.9	Low	70.2	Confident	90 Å²	90	79.2 Å²	79.2	58%	0.584	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-55.8	135.8	174	-26.7	35.8	0	0	0	113	N629 C630	P627-N629 PolarHBondContact O-N 3.04Å; P627-C630 WeakPolarHBondContact O-CB 3.31Å; P627-C630 PolarHBondContact O-N 2.84Å; P627-C630 PolarHBondContact O-SG 3.45Å; P627-C630 VanDerWaalsContact O-SG 3.34Å
628	I	60.9	Low	68.6	Low	175 Å²	175	81.2 Å²	81.2	90%	0.897	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	0.4	-166.3	59	174.3	0	0	0	117.3	C626	C626-I628 PolarHBondContact O-N 3.16Å
629	N	57.8	Low	67.1	Low	152 Å²	152	88 Å²	88	81%	0.813	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.7	172.3	-77.7	-7.7	0	0	0	113.4	P627 T631	P627-N629 PolarHBondContact O-N 3.04Å; N629-T631 PolarHBondContact O-N 3.42Å
630	C	49	Very low	65.5	Low	37 Å²	37	87.3 Å²	87.3	25%	0.25	48%	0.477	C	S	.	.			trans	-78.3	108.4	-176.8	-63.2	0	0	0	0	111.8	P627 H632	P627-C630 WeakPolarHBondContact O-CB 3.31Å; P627-C630 PolarHBondContact O-N 2.84Å; P627-C630 PolarHBondContact O-SG 3.45Å; P627-C630 VanDerWaalsContact O-SG 3.34Å; C630-H632 WeakPolarHBondContact CB-O 3.32Å; C630-H632 PolarHBondContact O-N 2.97Å
631	T	55.5	Low	63.9	Low	128 Å²	128	81.6 Å²	81.6	79%	0.785	46%	0.464	S	S	*	.	S	Bend	trans	-81.2	5.4	169.1	51.4	0	0	0	0	113.3	N629	N629-T631 PolarHBondContact O-N 3.42Å
632	H	55.5	Low	62	Low	74 Å²	74	84 Å²	84	34%	0.343	48%	0.477	S	S	.	.	S	Bend	trans	-151.1	166.1	-166.7	42.7	-92.9	0	0	0	109.3	C630 C634 P643	C630-H632 WeakPolarHBondContact CB-O 3.32Å; C630-H632 PolarHBondContact O-N 2.97Å; H632-C634 PolarHBondContact O-N 3.44Å; H632-P643 VanDerWaalsContact CD2-CG 3.44Å; H632-P643 WeakPolarHBondContact CD2-CG 3.37Å; H632-P643 WeakPolarHBondContact NE2-CG 3.29Å
633	S	57.4	Low	59.9	Low	37 Å²	37	85.9 Å²	85.9	26%	0.259	49%	0.487	S	S	.	.			trans	-51.7	134.5	177.6	-178.3	0	0	0	0	112.4	V635	S633-V635 VanDerWaalsContact C-N 3.33Å; S633-V635 WeakPolarHBondContact OG-CB 3.38Å; S633-V635 PolarHBondContact OG-N 3.29Å; S633-V635 VanDerWaalsContact OG-N 3.15Å
634	C	62.3	Low	57.9	Low	18 Å²	18	90 Å²	90	12%	0.122	52%	0.521	C	S	.	.	S	Bend	trans	-92.2	11.5	169.3	73.2	0	0	0	0	113.6	F616 C626 H632	F616-C634 WeakPolarHBondContact CD1-SG 3.17Å; C626-C634 HydrophobicContact CB-CB 3.78Å; C626-C634 WeakPolarHBondContact CB-SG 3.32Å; C626-C634 WeakPolarHBondContact SG-CB 3.15Å; C626-C634 CovalentContact SG-SG 2.04Å; C626-C634 PolarHBondContact SG-SG 3.07Å; H632-C634 PolarHBondContact O-N 3.44Å
635	V	57.6	Low	55.8	Low	68 Å²	68	94.6 Å²	94.6	41%	0.412	54%	0.543	S	S	.	.	S	Bend	trans	-91.6	-15.7	-174.9	-173.3	0	0	0	0	113.2	F616 S633	F616-V635 HydrophobicContact CB-CG2 4.16Å; S633-V635 VanDerWaalsContact C-N 3.33Å; S633-V635 WeakPolarHBondContact OG-CB 3.38Å; S633-V635 PolarHBondContact OG-N 3.29Å; S633-V635 VanDerWaalsContact OG-N 3.15Å
636	D	54.2	Low	53.8	Low	127 Å²	127	99.6 Å²	99.6	68%	0.679	56%	0.559	S	S	*	*	S	Bend	trans	-124	95.8	173.4	-78.9	-64.9	0	0	0	109.4
637	L	55.5	Low	52	Low	91 Å²	91	110.2 Å²	110.2	48%	0.476	60%	0.597	S	S	.	*			trans	-127.5	137.7	176.4	-66.3	174.9	0	0	0	109.7
638	D	52.2	Low	50.4	Low	86 Å²	86	110.7 Å²	110.7	46%	0.46	61%	0.609	S	S	.	*			trans	-78.8	177.6	172.7	76.2	-10.5	0	0	0	112.6	K640 G641 C642	D638-K640 PolarHBondContact O-N 3.37Å; D638-K640 VanDerWaalsContact OD1-C 3.3Å; D638-K640 WeakPolarHBondContact OD1-CA 3.44Å; D638-K640 WeakPolarHBondContact OD1-CB 3.43Å; D638-K640 PolarHBondContact OD1-N 3.23Å; D638-G641 PolarHBondContact O-N 2.62Å; D638-G641 PolarHBondContact OD1-N 2.93Å; D638-C642 PolarHBondContact N-O 3.21Å; D638-C642 PolarHBondContact OD1-N 3.01Å
639	D	55	Low	49.7	Very low	181 Å²	181	106.8 Å²	106.8	97%	0.968	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	1.4	174	-73.2	-39.8	0	0	0	114.6
640	K	48.6	Very low	48.9	Very low	177 Å²	177	105.6 Å²	105.6	77%	0.77	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	4.6	179.6	-63.1	173.6	-175.9	167.7	0	113	D638	D638-K640 PolarHBondContact O-N 3.37Å; D638-K640 VanDerWaalsContact OD1-C 3.3Å; D638-K640 WeakPolarHBondContact OD1-CA 3.44Å; D638-K640 WeakPolarHBondContact OD1-CB 3.43Å; D638-K640 PolarHBondContact OD1-N 3.23Å
641	G	49.7	Very low	48.7	Very low	48 Å²	48	110.7 Å²	110.7	50%	0.495	62%	0.622	S	S	.	*	S	Bend	trans	71.4	28.3	179.8	0	0	0	0	0	113.9	D638	D638-G641 PolarHBondContact O-N 2.62Å; D638-G641 PolarHBondContact OD1-N 2.93Å
642	C	44.1	Very low	48.5	Very low	66 Å²	66	109.3 Å²	109.3	45%	0.446	61%	0.613	S	S	.	*			trans	-108	137.3	179.8	-68.3	0	0	0	0	112.1	D638	D638-C642 PolarHBondContact N-O 3.21Å; D638-C642 PolarHBondContact OD1-N 3.01Å
643	P	46.2	Very low	48.2	Very low	65 Å²	65	110.6 Å²	110.6	42%	0.422	63%	0.63	S	S	.	*			trans	-70	141.1	171.6	-17.4	31.2	0	0	0	112.2	H632 E645	H632-P643 VanDerWaalsContact CD2-CG 3.44Å; H632-P643 WeakPolarHBondContact CD2-CG 3.37Å; H632-P643 WeakPolarHBondContact NE2-CG 3.29Å; P643-E645 PolarHBondContact O-N 3.2Å; P643-E645 VanDerWaalsContact O-N 3.15Å
644	A	43.4	Very low	48.1	Very low	91 Å²	91	115.3 Å²	115.3	75%	0.752	65%	0.651	S	S	*	*			trans	-71	107.1	180	0	0	0	0	0	112.5	Q646	A644-Q646 PolarHBondContact O-N 3.48Å
645	E	41.7	Very low	47.8	Very low	180 Å²	180	119.1 Å²	119.1	84%	0.841	67%	0.67	S	S	*	*			trans	-71.1	97.6	-176.8	-165.3	179.9	-130.5	0	0	112.3	P643 R647	P643-E645 PolarHBondContact O-N 3.2Å; P643-E645 VanDerWaalsContact O-N 3.15Å; E645-R647 PolarHBondContact O-N 3.01Å; E645-R647 VanDerWaalsContact O-N 3.07Å
646	Q	39.2	Very low	47.7	Very low	187 Å²	187	119.3 Å²	119.3	87%	0.874	67%	0.674	S	S	*	*			trans	-69	105.1	175.7	-73.9	-166.2	-4.9	0	0	111.4	A644 A648	A644-Q646 PolarHBondContact O-N 3.48Å; Q646-A648 PolarHBondContact O-N 3.21Å
647	R	37.1	Very low	48	Very low	236 Å²	236	116 Å²	116	89%	0.891	66%	0.664	S	S	*	*			trans	-59.7	104.9	178.6	-70.2	176.5	172.6	162.6	-2.1	112.6	E645 S649	E645-R647 PolarHBondContact O-N 3.01Å; E645-R647 VanDerWaalsContact O-N 3.07Å; R647-S649 PolarHBondContact O-N 2.76Å
648	A	36.1	Very low	48.5	Very low	100 Å²	100	115.5 Å²	115.5	83%	0.826	67%	0.665	S	S	*	*			trans	-67.9	127.2	165.6	0	0	0	0	0	110.7	Q646	Q646-A648 PolarHBondContact O-N 3.21Å
649	S	45	Very low	49.3	Very low	94 Å²	94	114.8 Å²	114.8	66%	0.657	66%	0.663	S	S	*	*			trans	-84.9	146.2	-179.2	54.5	0	0	0	0	112.5	R647 L651	R647-S649 PolarHBondContact O-N 2.76Å; S649-L651 PolarHBondContact O-N 2.76Å
650	P	41.7	Very low	50.2	Low	127 Å²	127	107.6 Å²	107.6	83%	0.825	63%	0.632	S	S	*	*	S	Bend	trans	-82.6	79.6	-169.2	33.1	-36.8	0	0	0	113.1
651	L	45	Very low	51.6	Low	144 Å²	144	104.8 Å²	104.8	75%	0.754	62%	0.624	S	S	*	*			trans	-130.1	2.3	168.9	-128	91	0	0	0	114.5	S649 S653	S649-L651 PolarHBondContact O-N 2.76Å; L651-S653 VanDerWaalsContact C-N 3.34Å; L651-S653 PolarHBondContact O-N 3.32Å
652	T	50.8	Low	52.9	Low	98 Å²	98	107.3 Å²	107.3	60%	0.601	63%	0.626	S	S	*	*	H	α-helix	trans	-76.1	-10.3	-166.3	48.2	0	0	0	0	115.8	I654 I655 S656	T652-I654 PolarHBondContact O-N 3.12Å; T652-I655 PolarHBondContact O-N 2.76Å; T652-S656 WeakPolarHBondContact O-CB 3.46Å; T652-S656 PolarHBondContact O-N 2.89Å; T652-S656 PolarHBondContact O-OG 3.49Å
653	S	49.9	Very low	54.7	Low	101 Å²	101	108.6 Å²	108.6	71%	0.706	63%	0.628	S	S	*	*	H	α-helix	trans	-72.1	-20.1	-169.9	-156.2	0	0	0	0	115.5	L651 S656	L651-S653 VanDerWaalsContact C-N 3.34Å; L651-S653 PolarHBondContact O-N 3.32Å; S653-S656 PolarHBondContact O-OG 2.71Å; S653-S656 VanDerWaalsContact O-OG 3.07Å
654	I	53.9	Low	56.3	Low	137 Å²	137	110.5 Å²	110.5	70%	0.703	64%	0.638	S	S	*	*	H	α-helix	trans	-92.6	-37.2	173.1	-59.1	177.2	0	0	0	110.2	T652 S656 A657 V658	T652-I654 PolarHBondContact O-N 3.12Å; I654-S656 VanDerWaalsContact C-N 3.31Å; I654-S656 PolarHBondContact O-N 3.47Å; I654-A657 PolarHBondContact O-N 2.68Å; I654-V658 PolarHBondContact O-N 2.83Å
655	I	56.3	Low	58.1	Low	98 Å²	98	110.1 Å²	110.1	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-63.7	-37.3	177.1	-62.5	172.6	0	0	0	110.5	T652 A657 V658 V659	T652-I655 PolarHBondContact O-N 2.76Å; I655-A657 VanDerWaalsContact C-N 3.29Å; I655-A657 PolarHBondContact O-N 2.76Å; I655-V658 PolarHBondContact O-N 3.07Å; I655-V659 HydrophobicContact CG2-CG2 3.7Å; I655-V659 VanDerWaalsContact O-CB 3.27Å; I655-V659 WeakPolarHBondContact O-CB 3.32Å; I655-V659 VanDerWaalsContact O-CG2 3.29Å; I655-V659 WeakPolarHBondContact O-CG2 3.5Å; I655-V659 PolarHBondContact O-N 3.34Å
656	S	55.2	Low	60.1	Low	71 Å²	71	105.2 Å²	105.2	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-59.5	-34.7	177.7	60.4	0	0	0	0	113.7	T652 S653 I654 G660	T652-S656 WeakPolarHBondContact O-CB 3.46Å; T652-S656 PolarHBondContact O-N 2.89Å; T652-S656 PolarHBondContact O-OG 3.49Å; S653-S656 PolarHBondContact O-OG 2.71Å; S653-S656 VanDerWaalsContact O-OG 3.07Å; I654-S656 VanDerWaalsContact C-N 3.31Å; I654-S656 PolarHBondContact O-N 3.47Å; S656-G660 WeakPolarHBondContact O-CA 3.46Å; S656-G660 PolarHBondContact O-N 3.12Å
657	A	60.4	Low	62.1	Low	57 Å²	57	101.2 Å²	101.2	47%	0.471	59%	0.592	S	S	.	*	H	α-helix	trans	-71.5	-45.2	175.9	0	0	0	0	0	111.8	I654 I655 G660 I661	I654-A657 PolarHBondContact O-N 2.68Å; I655-A657 VanDerWaalsContact C-N 3.29Å; I655-A657 PolarHBondContact O-N 2.76Å; A657-G660 PolarHBondContact O-N 3.08Å; A657-I661 WeakPolarHBondContact O-CG1 3.34Å; A657-I661 PolarHBondContact O-N 3.29Å
658	V	67.8	Low	64.3	Low	82 Å²	82	92.2 Å²	92.2	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-67.1	-44.2	178.3	179.1	0	0	0	0	111.1	I654 I655 G660 I661 L662	I654-V658 PolarHBondContact O-N 2.83Å; I655-V658 PolarHBondContact O-N 3.07Å; V658-G660 VanDerWaalsContact C-N 3.33Å; V658-I661 PolarHBondContact O-N 3.2Å; V658-L662 HydrophobicContact CG1-CD1 4.37Å; V658-L662 WeakPolarHBondContact O-CB 3.22Å; V658-L662 PolarHBondContact O-N 2.98Å
659	V	69.2	Low	66.5	Low	70 Å²	70	91.4 Å²	91.4	42%	0.424	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-36.9	173.8	171.1	0	0	0	0	111	I655 L662 L663	I655-V659 HydrophobicContact CG2-CG2 3.7Å; I655-V659 VanDerWaalsContact O-CB 3.27Å; I655-V659 WeakPolarHBondContact O-CB 3.32Å; I655-V659 VanDerWaalsContact O-CG2 3.29Å; I655-V659 WeakPolarHBondContact O-CG2 3.5Å; I655-V659 PolarHBondContact O-N 3.34Å; V659-L662 PolarHBondContact O-N 2.95Å; V659-L663 HydrophobicContact CG1-CD1 4.48Å; V659-L663 WeakPolarHBondContact O-CB 3.27Å; V659-L663 PolarHBondContact O-N 3.48Å
660	G	72.8	Confident	68.2	Low	31 Å²	31	90 Å²	90	32%	0.32	55%	0.545	S	S	.	.	H	α-helix	trans	-62.8	-45.3	174.1	0	0	0	0	0	112.6	S656 A657 V658 L663 V664	S656-G660 WeakPolarHBondContact O-CA 3.46Å; S656-G660 PolarHBondContact O-N 3.12Å; A657-G660 PolarHBondContact O-N 3.08Å; V658-G660 VanDerWaalsContact C-N 3.33Å; G660-L663 PolarHBondContact O-N 3.06Å; G660-V664 WeakPolarHBondContact O-CG2 3.5Å; G660-V664 PolarHBondContact O-N 3.11Å
661	I	77.6	Confident	70.2	Confident	117 Å²	117	90.5 Å²	90.5	60%	0.6	53%	0.534	S	S	*	.	H	α-helix	trans	-64.7	-44	174.9	-68.2	165.2	0	0	0	110.5	A657 V658 L663 V664 V665	A657-I661 WeakPolarHBondContact O-CG1 3.34Å; A657-I661 PolarHBondContact O-N 3.29Å; V658-I661 PolarHBondContact O-N 3.2Å; I661-L663 VanDerWaalsContact C-N 3.32Å; I661-L663 PolarHBondContact O-N 3.28Å; I661-V664 PolarHBondContact O-N 2.92Å; I661-V665 WeakPolarHBondContact O-CG2 3.43Å; I661-V665 PolarHBondContact O-N 3.14Å
662	L	78.5	Confident	71.9	Confident	101 Å²	101	85.4 Å²	85.4	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-37.5	173.7	-95.3	162.4	0	0	0	112.3	V658 V659 V665 V666	V658-L662 HydrophobicContact CG1-CD1 4.37Å; V658-L662 WeakPolarHBondContact O-CB 3.22Å; V658-L662 PolarHBondContact O-N 2.98Å; V659-L662 PolarHBondContact O-N 2.95Å; L662-V665 PolarHBondContact O-N 3.06Å; L662-V666 VanDerWaalsContact O-CB 3.27Å; L662-V666 WeakPolarHBondContact O-CB 3.43Å; L662-V666 VanDerWaalsContact O-CG2 3.24Å; L662-V666 WeakPolarHBondContact O-CG2 3.49Å; L662-V666 PolarHBondContact O-N 2.97Å
663	L	80.9	Confident	73.4	Confident	94 Å²	94	84.5 Å²	84.5	49%	0.492	51%	0.507	S	S	.	.	H	α-helix	trans	-65.9	-40.6	173.6	-109.2	164.7	0	0	0	111.5	V659 G660 I661 V666 L667	V659-L663 HydrophobicContact CG1-CD1 4.48Å; V659-L663 WeakPolarHBondContact O-CB 3.27Å; V659-L663 PolarHBondContact O-N 3.48Å; G660-L663 PolarHBondContact O-N 3.06Å; I661-L663 VanDerWaalsContact C-N 3.32Å; I661-L663 PolarHBondContact O-N 3.28Å; L663-V666 PolarHBondContact O-N 2.95Å; L663-L667 HydrophobicContact CD2-CD1 4.12Å; L663-L667 HydrophobicContact CD2-CG 4.19Å; L663-L667 WeakPolarHBondContact O-CB 3.41Å; L663-L667 WeakPolarHBondContact O-CG 3.35Å; L663-L667 PolarHBondContact O-N 2.82Å
664	V	80.1	Confident	74.8	Confident	105 Å²	105	84.2 Å²	84.2	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-67.3	-38.6	175.3	171.9	0	0	0	0	111.4	G660 I661 G668	G660-V664 WeakPolarHBondContact O-CG2 3.5Å; G660-V664 PolarHBondContact O-N 3.11Å; I661-V664 PolarHBondContact O-N 2.92Å; V664-G668 PolarHBondContact O-N 3.19Å
665	V	82	Confident	76.1	Confident	82 Å²	82	81 Å²	81	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-68.3	-44.7	174.5	172.2	0	0	0	0	111.2	I661 L662 G668 V669	I661-V665 WeakPolarHBondContact O-CG2 3.43Å; I661-V665 PolarHBondContact O-N 3.14Å; L662-V665 PolarHBondContact O-N 3.06Å; V665-G668 CarbonylContact O-C 3.5Å; V665-G668 PolarHBondContact O-N 3.44Å; V665-V669 HydrophobicContact CG1-CG2 4.48Å; V665-V669 WeakPolarHBondContact O-CB 3.25Å; V665-V669 WeakPolarHBondContact O-CG2 3.37Å; V665-V669 PolarHBondContact O-N 2.81Å
666	V	82.2	Confident	77	Confident	77 Å²	77	82.9 Å²	82.9	47%	0.467	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-40.3	176.7	169.1	0	0	0	0	111	L662 L663 G668 V669 V670	L662-V666 VanDerWaalsContact O-CB 3.27Å; L662-V666 WeakPolarHBondContact O-CB 3.43Å; L662-V666 VanDerWaalsContact O-CG2 3.24Å; L662-V666 WeakPolarHBondContact O-CG2 3.49Å; L662-V666 PolarHBondContact O-N 2.97Å; L663-V666 PolarHBondContact O-N 2.95Å; V666-G668 VanDerWaalsContact C-N 3.34Å; V666-V669 PolarHBondContact O-N 3.11Å; V666-V670 HydrophobicContact CG1-CG2 4.19Å; V666-V670 WeakPolarHBondContact O-CB 3.28Å; V666-V670 WeakPolarHBondContact O-CG2 3.21Å; V666-V670 PolarHBondContact O-N 2.91Å
667	L	82.4	Confident	78	Confident	104 Å²	104	87.2 Å²	87.2	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-34.9	172.1	-72.2	170.5	0	0	0	111.4	L663 F671	L663-L667 HydrophobicContact CD2-CD1 4.12Å; L663-L667 HydrophobicContact CD2-CG 4.19Å; L663-L667 WeakPolarHBondContact O-CB 3.41Å; L663-L667 WeakPolarHBondContact O-CG 3.35Å; L663-L667 PolarHBondContact O-N 2.82Å; L667-F671 WeakPolarHBondContact O-CA 3.24Å; L667-F671 WeakPolarHBondContact O-CB 3.47Å; L667-F671 PolarHBondContact O-N 3.26Å
668	G	82.6	Confident	78.8	Confident	46 Å²	46	93.3 Å²	93.3	47%	0.474	50%	0.501	S	S	.	.	H	α-helix	trans	-66.5	-42.2	173.1	0	0	0	0	0	112.7	V664 V665 V666 G672	V664-G668 PolarHBondContact O-N 3.19Å; V665-G668 CarbonylContact O-C 3.5Å; V665-G668 PolarHBondContact O-N 3.44Å; V666-G668 VanDerWaalsContact C-N 3.34Å; G668-G672 PolarHBondContact O-N 2.91Å
669	V	82.5	Confident	78.9	Confident	84 Å²	84	95.1 Å²	95.1	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-70.3	-40.6	174.5	169.6	0	0	0	0	111.1	V665 V666 G672 I673	V665-V669 HydrophobicContact CG1-CG2 4.48Å; V665-V669 WeakPolarHBondContact O-CB 3.25Å; V665-V669 WeakPolarHBondContact O-CG2 3.37Å; V665-V669 PolarHBondContact O-N 2.81Å; V666-V669 PolarHBondContact O-N 3.11Å; V669-G672 CarbonylContact O-C 3.54Å; V669-G672 PolarHBondContact O-N 2.79Å; V669-I673 HydrophobicContact CG1-CD1 3.76Å; V669-I673 HydrophobicContact CG1-CG1 4.45Å; V669-I673 VanDerWaalsContact O-CB 3.28Å; V669-I673 WeakPolarHBondContact O-CB 3.37Å; V669-I673 WeakPolarHBondContact O-CG1 3.42Å; V669-I673 PolarHBondContact O-N 2.81Å
670	V	81.3	Confident	78.7	Confident	65 Å²	65	96.9 Å²	96.9	39%	0.394	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-39.9	174.8	167.3	0	0	0	0	110.8	V666 I673 L674	V666-V670 HydrophobicContact CG1-CG2 4.19Å; V666-V670 WeakPolarHBondContact O-CB 3.28Å; V666-V670 WeakPolarHBondContact O-CG2 3.21Å; V666-V670 PolarHBondContact O-N 2.91Å; V670-I673 CarbonylContact O-C 3.59Å; V670-I673 PolarHBondContact O-N 2.03Å; V670-L674 HydrophobicContact CG1-CD1 3.85Å; V670-L674 HydrophobicContact CG1-CG 4.28Å; V670-L674 VanDerWaalsContact O-CB 3.26Å; V670-L674 WeakPolarHBondContact O-CB 3.23Å; V670-L674 WeakPolarHBondContact O-CG 3.3Å; V670-L674 PolarHBondContact O-N 2.88Å
671	F	82.3	Confident	78.1	Confident	137 Å²	137	101.6 Å²	101.6	60%	0.601	52%	0.519	S	S	*	.	H	α-helix	trans	-70.1	-35.9	174.5	-166.4	-111.6	0	0	0	111.2	L667 L674 I675	L667-F671 WeakPolarHBondContact O-CA 3.24Å; L667-F671 WeakPolarHBondContact O-CB 3.47Å; L667-F671 PolarHBondContact O-N 3.26Å; F671-L674 CarbonylContact O-C 3.59Å; F671-L674 PolarHBondContact O-N 3.05Å; F671-I675 HydrophobicContact CD1-CD1 3.68Å; F671-I675 HydrophobicContact CD1-CG1 4.38Å; F671-I675 HydrophobicContact CE1-CD1 3.46Å; F671-I675 VanDerWaalsContact CE1-CD1 3.46Å; F671-I675 HydrophobicContact CE1-CG1 4.28Å; F671-I675 HydrophobicContact CZ-CD1 4.12Å; F671-I675 WeakPolarHBondContact O-CB 3.4Å; F671-I675 WeakPolarHBondContact O-CG1 3.48Å; F671-I675 PolarHBondContact O-N 2.86Å
672	G	82	Confident	77.6	Confident	36 Å²	36	100.7 Å²	100.7	37%	0.371	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-39.7	169.2	0	0	0	0	0	112.7	G668 V669 K676	G668-G672 PolarHBondContact O-N 2.91Å; V669-G672 CarbonylContact O-C 3.54Å; V669-G672 PolarHBondContact O-N 2.79Å; G672-K676 WeakPolarHBondContact O-CB 3.02Å; G672-K676 PolarHBondContact O-N 3Å
673	I	81.4	Confident	76.8	Confident	80 Å²	80	105.4 Å²	105.4	41%	0.41	53%	0.526	S	S	.	.	H	α-helix	trans	-70.9	-33	172.4	-73.3	166.6	0	0	0	110.8	V669 V670 R677	V669-I673 HydrophobicContact CG1-CD1 3.76Å; V669-I673 HydrophobicContact CG1-CG1 4.45Å; V669-I673 VanDerWaalsContact O-CB 3.28Å; V669-I673 WeakPolarHBondContact O-CB 3.37Å; V669-I673 WeakPolarHBondContact O-CG1 3.42Å; V669-I673 PolarHBondContact O-N 2.81Å; V670-I673 CarbonylContact O-C 3.59Å; V670-I673 PolarHBondContact O-N 2.03Å; I673-R677 HydrophobicContact CG2-CG 4.25Å; I673-R677 WeakPolarHBondContact O-CA 3.37Å; I673-R677 WeakPolarHBondContact O-CB 3.42Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.25Å
674	L	80.3	Confident	75.8	Confident	94 Å²	94	107.6 Å²	107.6	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-77.2	-30.5	175.5	-75.2	170.6	0	0	0	111.9	V670 F671 R678	V670-L674 HydrophobicContact CG1-CD1 3.85Å; V670-L674 HydrophobicContact CG1-CG 4.28Å; V670-L674 VanDerWaalsContact O-CB 3.26Å; V670-L674 WeakPolarHBondContact O-CB 3.23Å; V670-L674 WeakPolarHBondContact O-CG 3.3Å; V670-L674 PolarHBondContact O-N 2.88Å; F671-L674 CarbonylContact O-C 3.59Å; F671-L674 PolarHBondContact O-N 3.05Å; L674-R678 WeakPolarHBondContact O-CA 3.45Å; L674-R678 WeakPolarHBondContact O-CB 3.49Å; L674-R678 WeakPolarHBondContact O-CG 3.37Å; L674-R678 PolarHBondContact O-N 2.98Å
675	I	79.9	Confident	74.8	Confident	70 Å²	70	109.3 Å²	109.3	36%	0.359	53%	0.527	S	S	.	.	H	α-helix	trans	-71.6	-47.1	167.9	-75	173.4	0	0	0	109.4	F671 R677 R678 Q679	F671-I675 HydrophobicContact CD1-CD1 3.68Å; F671-I675 HydrophobicContact CD1-CG1 4.38Å; F671-I675 HydrophobicContact CE1-CD1 3.46Å; F671-I675 VanDerWaalsContact CE1-CD1 3.46Å; F671-I675 HydrophobicContact CE1-CG1 4.28Å; F671-I675 HydrophobicContact CZ-CD1 4.12Å; F671-I675 WeakPolarHBondContact O-CB 3.4Å; F671-I675 WeakPolarHBondContact O-CG1 3.48Å; F671-I675 PolarHBondContact O-N 2.86Å; I675-R677 VanDerWaalsContact C-N 3.33Å; I675-R677 PolarHBondContact O-N 3.34Å; I675-R678 CarbonylContact O-C 3.3Å; I675-R678 PolarHBondContact O-N 2.86Å; I675-R678 VanDerWaalsContact O-N 3.09Å; I675-Q679 HydrophobicContact CG2-CG 4.4Å; I675-Q679 WeakPolarHBondContact O-CB 3.06Å; I675-Q679 WeakPolarHBondContact O-CG 3.45Å; I675-Q679 PolarHBondContact O-N 2.86Å
676	K	76.2	Confident	73.7	Confident	137 Å²	137	108 Å²	108	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-65	-36.3	176.5	-164.7	169.9	-175.1	175.7	0	111.2	G672 Q680	G672-K676 WeakPolarHBondContact O-CB 3.02Å; G672-K676 PolarHBondContact O-N 3Å; K676-Q680 WeakPolarHBondContact O-CB 3.06Å; K676-Q680 WeakPolarHBondContact O-CG 3.42Å; K676-Q680 PolarHBondContact O-N 3.49Å
677	R	76.7	Confident	72.3	Confident	163 Å²	163	108.8 Å²	108.8	62%	0.615	52%	0.519	S	S	*	.	H	α-helix	trans	-74.1	-27.9	169.4	-75.1	176.7	171.6	-173.1	-3.1	113.1	I673 I675 K681	I673-R677 HydrophobicContact CG2-CG 4.25Å; I673-R677 WeakPolarHBondContact O-CA 3.37Å; I673-R677 WeakPolarHBondContact O-CB 3.42Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.25Å; I675-R677 VanDerWaalsContact C-N 3.33Å; I675-R677 PolarHBondContact O-N 3.34Å; R677-K681 WeakPolarHBondContact O-CA 3.34Å; R677-K681 WeakPolarHBondContact O-CB 3.28Å; R677-K681 WeakPolarHBondContact O-CG 3.23Å; R677-K681 PolarHBondContact O-N 3.11Å
678	R	75.2	Confident	71	Confident	185 Å²	185	110.2 Å²	110.2	70%	0.698	52%	0.517	S	S	*	.	H	α-helix	trans	-72.5	-42	169.4	-95.9	-175	161.4	-172.6	-5.1	110.8	L674 I675 K681 I682	L674-R678 WeakPolarHBondContact O-CA 3.45Å; L674-R678 WeakPolarHBondContact O-CB 3.49Å; L674-R678 WeakPolarHBondContact O-CG 3.37Å; L674-R678 PolarHBondContact O-N 2.98Å; I675-R678 CarbonylContact O-C 3.3Å; I675-R678 PolarHBondContact O-N 2.86Å; I675-R678 VanDerWaalsContact O-N 3.09Å; R678-K681 PolarHBondContact O-N 2.88Å; R678-I682 WeakPolarHBondContact O-CA 3.42Å; R678-I682 WeakPolarHBondContact O-CB 3.31Å; R678-I682 WeakPolarHBondContact O-CD1 3.33Å; R678-I682 WeakPolarHBondContact O-CG1 3.28Å; R678-I682 PolarHBondContact O-N 3.25Å
679	Q	70.5	Confident	69.4	Low	120 Å²	120	113.9 Å²	113.9	56%	0.561	52%	0.517	S	S	*	.	H	α-helix	trans	-69.8	-35.8	174.4	-73.2	178.2	-17.3	0	0	111.5	I675 R683	I675-Q679 HydrophobicContact CG2-CG 4.4Å; I675-Q679 WeakPolarHBondContact O-CB 3.06Å; I675-Q679 WeakPolarHBondContact O-CG 3.45Å; I675-Q679 PolarHBondContact O-N 2.86Å; Q679-R683 WeakPolarHBondContact O-CB 3.04Å; Q679-R683 VanDerWaalsContact O-CG 3.27Å; Q679-R683 WeakPolarHBondContact O-CG 3.4Å; Q679-R683 PolarHBondContact O-N 3.38Å
680	Q	65.5	Low	67.8	Low	107 Å²	107	112.2 Å²	112.2	50%	0.5	51%	0.505	S	S	.	.	H	α-helix	trans	-73.6	-33.1	170.4	-76.2	176	-27.8	0	0	112.6	K676 K684	K676-Q680 WeakPolarHBondContact O-CB 3.06Å; K676-Q680 WeakPolarHBondContact O-CG 3.42Å; K676-Q680 PolarHBondContact O-N 3.49Å; Q680-K684 WeakPolarHBondContact O-CB 3.44Å; Q680-K684 VanDerWaalsContact O-CG 3.25Å; Q680-K684 WeakPolarHBondContact O-CG 3.4Å; Q680-K684 PolarHBondContact O-N 2.92Å
681	K	60.8	Low	66.2	Low	129 Å²	129	111.6 Å²	111.6	56%	0.561	50%	0.499	S	S	*	.	H	α-helix	trans	-69.5	-46.2	170.3	-87.7	-167.6	170.7	-166.9	0	110.8	R677 R678 K684 Y685	R677-K681 WeakPolarHBondContact O-CA 3.34Å; R677-K681 WeakPolarHBondContact O-CB 3.28Å; R677-K681 WeakPolarHBondContact O-CG 3.23Å; R677-K681 PolarHBondContact O-N 3.11Å; R678-K681 PolarHBondContact O-N 2.88Å; K681-K684 CarbonylContact O-C 3.35Å; K681-K684 VanDerWaalsContact O-C 3.28Å; K681-K684 WeakPolarHBondContact O-CA 3.43Å; K681-K684 PolarHBondContact O-N 3.08Å; K681-K684 VanDerWaalsContact O-N 3.11Å; K681-Y685 HydrophobicContact CB-CD2 4.13Å; K681-Y685 HydrophobicContact CB-CE2 4.14Å; K681-Y685 HydrophobicContact CD-CE2 4.31Å; K681-Y685 HydrophobicContact CG-CE2 4.46Å; K681-Y685 WeakPolarHBondContact O-CB 3.17Å; K681-Y685 WeakPolarHBondContact O-CD2 3.5Å; K681-Y685 PolarHBondContact O-N 2.92Å
682	I	66.9	Low	64.3	Low	99 Å²	99	111.5 Å²	111.5	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-50	176.6	-70.6	164.1	0	0	0	109	R678 K684 Y685 T686	R678-I682 WeakPolarHBondContact O-CA 3.42Å; R678-I682 WeakPolarHBondContact O-CB 3.31Å; R678-I682 WeakPolarHBondContact O-CD1 3.33Å; R678-I682 WeakPolarHBondContact O-CG1 3.28Å; R678-I682 PolarHBondContact O-N 3.25Å; I682-K684 VanDerWaalsContact C-N 3.29Å; I682-K684 PolarHBondContact O-N 3.12Å; I682-Y685 CarbonylContact O-C 3.49Å; I682-Y685 WeakPolarHBondContact O-CA 3.2Å; I682-Y685 PolarHBondContact O-N 2.88Å; I682-T686 WeakPolarHBondContact O-CB 3.46Å; I682-T686 PolarHBondContact O-N 2.03Å; I682-T686 PolarHBondContact O-OG1 2.96Å; I682-T686 VanDerWaalsContact O-OG1 3.13Å
683	R	61.4	Low	62.5	Low	199 Å²	199	115.4 Å²	115.4	75%	0.751	51%	0.509	S	S	*	.	H	α-helix	trans	-55.6	-40.6	169.7	-76.1	-178.4	174.4	-172	-2.1	112	Q679 Y685 M687	Q679-R683 WeakPolarHBondContact O-CB 3.04Å; Q679-R683 VanDerWaalsContact O-CG 3.27Å; Q679-R683 WeakPolarHBondContact O-CG 3.4Å; Q679-R683 PolarHBondContact O-N 3.38Å; R683-Y685 VanDerWaalsContact C-N 3.33Å; R683-Y685 PolarHBondContact O-N 2.8Å; R683-M687 WeakPolarHBondContact O-CA 3.2Å; R683-M687 WeakPolarHBondContact O-CB 3.26Å; R683-M687 PolarHBondContact O-N 2.86Å
684	K	60	Low	60.6	Low	140 Å²	140	114.8 Å²	114.8	61%	0.609	51%	0.509	S	S	*	.	H	α-helix	trans	-72.8	-14.7	172.6	-78.4	-175.2	173.6	-171.9	0	114.9	Q680 K681 I682 R688	Q680-K684 WeakPolarHBondContact O-CB 3.44Å; Q680-K684 VanDerWaalsContact O-CG 3.25Å; Q680-K684 WeakPolarHBondContact O-CG 3.4Å; Q680-K684 PolarHBondContact O-N 2.92Å; K681-K684 CarbonylContact O-C 3.35Å; K681-K684 VanDerWaalsContact O-C 3.28Å; K681-K684 WeakPolarHBondContact O-CA 3.43Å; K681-K684 PolarHBondContact O-N 3.08Å; K681-K684 VanDerWaalsContact O-N 3.11Å; I682-K684 VanDerWaalsContact C-N 3.29Å; I682-K684 PolarHBondContact O-N 3.12Å; K684-R688 WeakPolarHBondContact O-CB 3.19Å; K684-R688 VanDerWaalsContact O-CD 3.32Å; K684-R688 WeakPolarHBondContact O-CD 3.37Å; K684-R688 WeakPolarHBondContact O-CG 3.12Å; K684-R688 PolarHBondContact O-N 3.03Å
685	Y	58.8	Low	58.5	Low	142 Å²	142	113.5 Å²	113.5	56%	0.557	50%	0.5	S	S	*	.	H	α-helix	trans	-95.2	-43.6	176.5	-82.9	-63.2	0	0	0	110.6	K681 I682 R683 R688 R689	K681-Y685 HydrophobicContact CB-CD2 4.13Å; K681-Y685 HydrophobicContact CB-CE2 4.14Å; K681-Y685 HydrophobicContact CD-CE2 4.31Å; K681-Y685 HydrophobicContact CG-CE2 4.46Å; K681-Y685 WeakPolarHBondContact O-CB 3.17Å; K681-Y685 WeakPolarHBondContact O-CD2 3.5Å; K681-Y685 PolarHBondContact O-N 2.92Å; I682-Y685 CarbonylContact O-C 3.49Å; I682-Y685 WeakPolarHBondContact O-CA 3.2Å; I682-Y685 PolarHBondContact O-N 2.88Å; R683-Y685 VanDerWaalsContact C-N 3.33Å; R683-Y685 PolarHBondContact O-N 2.8Å; Y685-R688 CarbonylContact O-C 3.55Å; Y685-R688 PolarHBondContact O-N 2.88Å; Y685-R689 WeakPolarHBondContact O-CB 3.43Å; Y685-R689 PolarHBondContact O-N 3.21Å
686	T	58.6	Low	56.1	Low	55 Å²	55	117 Å²	117	34%	0.337	52%	0.519	S	S	.	.	H	α-helix	trans	-61.9	-47.2	167.5	-49.9	0	0	0	0	110.3	I682 R688 R689 L690 E744	I682-T686 WeakPolarHBondContact O-CB 3.46Å; I682-T686 PolarHBondContact O-N 2.03Å; I682-T686 PolarHBondContact O-OG1 2.96Å; I682-T686 VanDerWaalsContact O-OG1 3.13Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.02Å; T686-R689 CarbonylContact O-C 3.6Å; T686-R689 PolarHBondContact O-N 3.34Å; T686-L690 HydrophobicContact CG2-CD1 4.4Å; T686-L690 WeakPolarHBondContact O-CB 3.22Å; T686-L690 PolarHBondContact O-N 3.44Å; T686-E744 HydrophobicContact CG2-CG 4.21Å
687	M	53.4	Low	53.8	Low	93 Å²	93	114 Å²	114	46%	0.458	51%	0.512	S	S	.	.	H	α-helix	trans	-69.2	-30.4	175.9	-165	169.7	76.1	0	0	112.6	R683 L691	R683-M687 WeakPolarHBondContact O-CA 3.2Å; R683-M687 WeakPolarHBondContact O-CB 3.26Å; R683-M687 PolarHBondContact O-N 2.86Å; M687-L691 WeakPolarHBondContact O-CB 3.49Å; M687-L691 WeakPolarHBondContact O-CD1 3.3Å; M687-L691 WeakPolarHBondContact O-CG 3.45Å; M687-L691 PolarHBondContact O-N 2.67Å
688	R	53.8	Low	51.7	Low	134 Å²	134	108.1 Å²	108.1	51%	0.506	49%	0.492	S	S	.	.	H	α-helix	trans	-69.5	-33.2	166.8	-87.3	176	178.1	-174.4	-2.2	112.5	K684 Y685 T686 L691 Q692	K684-R688 WeakPolarHBondContact O-CB 3.19Å; K684-R688 VanDerWaalsContact O-CD 3.32Å; K684-R688 WeakPolarHBondContact O-CD 3.37Å; K684-R688 WeakPolarHBondContact O-CG 3.12Å; K684-R688 PolarHBondContact O-N 3.03Å; Y685-R688 CarbonylContact O-C 3.55Å; Y685-R688 PolarHBondContact O-N 2.88Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.02Å; R688-L691 PolarHBondContact O-N 3.42Å; R688-Q692 WeakPolarHBondContact O-CA 3.45Å; R688-Q692 WeakPolarHBondContact O-CB 3.36Å; R688-Q692 PolarHBondContact O-N 3.16Å
689	R	49.5	Very low	49.5	Very low	122 Å²	122	101.5 Å²	101.5	46%	0.46	47%	0.473	S	S	.	.	H	α-helix	trans	-75.7	-37.7	178.8	-171.2	171.4	177.1	-139.1	-27.3	111.4	Y685 T686 Q692 E693 D742	Y685-R689 WeakPolarHBondContact O-CB 3.43Å; Y685-R689 PolarHBondContact O-N 3.21Å; T686-R689 CarbonylContact O-C 3.6Å; T686-R689 PolarHBondContact O-N 3.34Å; R689-Q692 PolarHBondContact O-N 2.74Å; R689-E693 HydrophobicContact CG-CG 4.27Å; R689-E693 WeakPolarHBondContact CG-OE1 3.22Å; R689-E693 IonicContact CZ-OE1 3.46Å; R689-E693 IonicContact NE-OE1 3.74Å; R689-E693 PolarHBondContact NE-OE1 3.25Å; R689-E693 IonicContact NH2-OE1 3.62Å; R689-E693 PolarHBondContact NH2-OE1 3.35Å; R689-E693 IonicContact NH2-OE2 3.2Å; R689-E693 VanDerWaalsContact O-CB 3.29Å; R689-E693 WeakPolarHBondContact O-CB 3.31Å; R689-E693 WeakPolarHBondContact O-CG 3.42Å; R689-E693 PolarHBondContact O-N 3.47Å; R689-D742 PolarHBondContact NH2-O 3.36Å
690	L	49.7	Very low	47.4	Very low	49 Å²	49	101.8 Å²	101.8	26%	0.257	48%	0.477	S	S	.	.	H	α-helix	trans	-54.8	-52.6	164.5	-87.1	157.7	0	0	0	111.2	T686 T694 E744 Y1023	T686-L690 HydrophobicContact CG2-CD1 4.4Å; T686-L690 WeakPolarHBondContact O-CB 3.22Å; T686-L690 PolarHBondContact O-N 3.44Å; L690-T694 WeakPolarHBondContact O-CG2 3.43Å; L690-T694 PolarHBondContact O-N 2.62Å; L690-T694 PolarHBondContact O-OG1 2.84Å; L690-E744 WeakPolarHBondContact CD2-OE1 3Å; L690-E744 WeakPolarHBondContact CG-OE1 3.44Å; L690-Y1023 HydrophobicContact CD2-CE2 4.18Å; L690-Y1023 WeakPolarHBondContact CD2-OH 3.27Å
691	L	46.6	Very low	45.9	Very low	53 Å²	53	102.8 Å²	102.8	28%	0.277	49%	0.491	S	S	.	.	H	α-helix	trans	-58.4	-49.4	174.2	-85.6	156	0	0	0	111.3	P337 M687 R688 E693 T694 E695	P337-L691 HydrophobicContact CG-CD1 3.52Å; P337-L691 HydrophobicContact CG-CD2 4.04Å; P337-L691 HydrophobicContact CG-CG 4.44Å; M687-L691 WeakPolarHBondContact O-CB 3.49Å; M687-L691 WeakPolarHBondContact O-CD1 3.3Å; M687-L691 WeakPolarHBondContact O-CG 3.45Å; M687-L691 PolarHBondContact O-N 2.67Å; R688-L691 PolarHBondContact O-N 3.42Å; L691-E693 PolarHBondContact O-N 3.21Å; L691-T694 WeakPolarHBondContact CA-OG1 3.38Å; L691-T694 CarbonylContact O-C 3.56Å; L691-T694 VanDerWaalsContact O-CA 3.27Å; L691-T694 WeakPolarHBondContact O-CA 3.37Å; L691-T694 PolarHBondContact O-N 2.85Å; L691-T694 PolarHBondContact O-OG1 2.92Å; L691-E695 WeakPolarHBondContact O-CG 3.48Å; L691-E695 PolarHBondContact O-N 3.23Å
692	Q	43.4	Very low	44.4	Very low	134 Å²	134	102.4 Å²	102.4	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-75.2	-25.2	-172.1	-166.4	166.5	15.8	0	0	114.1	R688 R689	R688-Q692 WeakPolarHBondContact O-CA 3.45Å; R688-Q692 WeakPolarHBondContact O-CB 3.36Å; R688-Q692 PolarHBondContact O-N 3.16Å; R689-Q692 PolarHBondContact O-N 2.74Å
693	E	44.9	Very low	42.6	Very low	119 Å²	119	103 Å²	103	56%	0.556	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	2.3	166.1	-65.9	-179.7	-166.7	0	0	111.9	R689 L691	R689-E693 HydrophobicContact CG-CG 4.27Å; R689-E693 WeakPolarHBondContact CG-OE1 3.22Å; R689-E693 IonicContact CZ-OE1 3.46Å; R689-E693 IonicContact NE-OE1 3.74Å; R689-E693 PolarHBondContact NE-OE1 3.25Å; R689-E693 IonicContact NH2-OE1 3.62Å; R689-E693 PolarHBondContact NH2-OE1 3.35Å; R689-E693 IonicContact NH2-OE2 3.2Å; R689-E693 VanDerWaalsContact O-CB 3.29Å; R689-E693 WeakPolarHBondContact O-CB 3.31Å; R689-E693 WeakPolarHBondContact O-CG 3.42Å; R689-E693 PolarHBondContact O-N 3.47Å; L691-E693 PolarHBondContact O-N 3.21Å
694	T	40.2	Very low	41.2	Very low	66 Å²	66	96.3 Å²	96.3	41%	0.405	51%	0.507	S	S	.	.	S	Bend	trans	-115.3	0.3	163.1	60.9	0	0	0	0	114.4	L690 L691 L696	L690-T694 WeakPolarHBondContact O-CG2 3.43Å; L690-T694 PolarHBondContact O-N 2.62Å; L690-T694 PolarHBondContact O-OG1 2.84Å; L691-T694 WeakPolarHBondContact CA-OG1 3.38Å; L691-T694 CarbonylContact O-C 3.56Å; L691-T694 VanDerWaalsContact O-CA 3.27Å; L691-T694 WeakPolarHBondContact O-CA 3.37Å; L691-T694 PolarHBondContact O-N 2.85Å; L691-T694 PolarHBondContact O-OG1 2.92Å; T694-L696 PolarHBondContact O-N 2.99Å
695	E	36.6	Very low	40	Very low	67 Å²	67	91.5 Å²	91.5	31%	0.313	49%	0.494	S	S	.	.			trans	-83.8	10.2	179.6	-85.5	167.1	-176.1	0	0	112.7	L691	L691-E695 WeakPolarHBondContact O-CG 3.48Å; L691-E695 PolarHBondContact O-N 3.23Å
696	L	30.2	Very low	39	Very low	144 Å²	144	91.3 Å²	91.3	75%	0.754	50%	0.5	S	S	*	.	S	Bend	trans	-87.8	116.2	163.2	-119.9	80.5	0	0	0	111.1	T694	T694-L696 PolarHBondContact O-N 2.99Å
697	V	28.2	Very low	38	Very low	73 Å²	73	90.4 Å²	90.4	44%	0.442	50%	0.495	S	S	.	.			trans	80	135.3	167.7	-158.8	0	0	0	0	115.9	A710	V697-A710 HydrophobicContact CB-CB 3.45Å; V697-A710 VanDerWaalsContact CB-CB 3.45Å; V697-A710 HydrophobicContact CG1-CB 3.49Å; V697-A710 VanDerWaalsContact CG1-CB 3.49Å; V697-A710 HydrophobicContact CG2-CB 4.45Å
698	E	32.1	Very low	37.5	Very low	40 Å²	40	88.6 Å²	88.6	19%	0.187	49%	0.487	C	S	.	.			trans	-150	164.3	-169.5	-99	-171.9	113.7	0	0	108.8	H318 K333	H318-E698 VanDerWaalsContact CA-OE1 3.3Å; H318-E698 WeakPolarHBondContact CA-OE1 3.37Å; H318-E698 WeakPolarHBondContact CB-OE1 3.31Å; H318-E698 IonicContact CE1-OE1 2.73Å; H318-E698 IonicContact CG-OE1 3.71Å; H318-E698 VanDerWaalsContact CG-OE1 3.26Å; H318-E698 IonicContact ND1-OE1 3.63Å; H318-E698 PolarHBondContact ND1-OE1 3.43Å; K333-E698 WeakPolarHBondContact CB-OE2 3.29Å; K333-E698 HydrophobicContact CD-CB 4.08Å; K333-E698 VanDerWaalsContact CD-OE2 3.29Å; K333-E698 WeakPolarHBondContact CD-OE2 3.23Å; K333-E698 VanDerWaalsContact CG-OE2 3.23Å; K333-E698 WeakPolarHBondContact CG-OE2 3.45Å
699	P	28.3	Very low	36.8	Very low	46 Å²	46	87.3 Å²	87.3	30%	0.299	49%	0.487	S	S	.	.			trans	-84.5	141.3	-133.6	29.8	-36.3	0	0	0	116.1	P316	P316-P699 HydrophobicContact CB-CG 4.48Å
700	L	27.5	Very low	36.5	Very low	126 Å²	126	82.8 Å²	82.8	66%	0.66	48%	0.475	S	S	*	.			trans	-113.6	102	164.1	-92.8	173.6	0	0	0	111.2	V308	V308-L700 HydrophobicContact CB-CD2 3.9Å; V308-L700 HydrophobicContact CB-CG 4.39Å; V308-L700 HydrophobicContact CG1-CD1 4.22Å; V308-L700 HydrophobicContact CG1-CD2 4.02Å; V308-L700 HydrophobicContact CG1-CG 3.99Å; V308-L700 HydrophobicContact CG2-CD2 3.84Å
701	T	32.2	Very low	36.8	Very low	129 Å²	129	83.2 Å²	83.2	79%	0.791	48%	0.476	S	S	*	.			trans	-149	147.7	149.7	39.1	0	0	0	0	106.4
702	P	30.5	Very low	37.8	Very low	121 Å²	121	81.9 Å²	81.9	79%	0.786	47%	0.469	S	S	*	.	S	Bend	cis	-110.6	154.9	26.6	35.8	-25.4	0	0	0	116
703	S	29	Very low	39.4	Very low	112 Å²	112	79.2 Å²	79.2	78%	0.783	45%	0.453	S	S	*	.	S	Bend	trans	70.2	62.1	162.1	-52	0	0	0	0	118
704	G	32.8	Very low	41.1	Very low	57 Å²	57	79.4 Å²	79.4	59%	0.588	46%	0.456	S	S	*	.			trans	-156.6	124	161.5	0	0	0	0	0	110	M706	G704-M706 PolarHBondContact O-N 2.99Å; G704-M706 VanDerWaalsContact O-N 3.1Å
705	A	34.2	Very low	43.3	Very low	40 Å²	40	76.6 Å²	76.6	33%	0.331	44%	0.439	S	S	.	.			trans	-85.3	84.2	-165.3	0	0	0	0	0	113.3	L869 I872	A705-L869 HydrophobicContact CB-CD2 3.85Å; A705-I872 HydrophobicContact CB-CD1 4.48Å; A705-I872 HydrophobicContact CB-CG1 4.05Å
706	M	37	Very low	45.6	Very low	138 Å²	138	78.8 Å²	78.8	68%	0.68	45%	0.447	S	S	*	.			trans	-144.3	148.3	162.9	-113.7	-170.9	177	0	0	111	G704	G704-M706 PolarHBondContact O-N 2.99Å; G704-M706 VanDerWaalsContact O-N 3.1Å
707	P	38.1	Very low	48.2	Very low	36 Å²	36	77.5 Å²	77.5	23%	0.234	44%	0.437	C	S	.	.			trans	-65.2	149.4	174.1	-15.9	30	0	0	0	111.4	Q709 Y772 V773	P707-Q709 PolarHBondContact O-N 3.21Å; P707-Y772 WeakPolarHBondContact CB-O 3.36Å; P707-V773 HydrophobicContact CB-CG2 4.33Å; P707-V773 HydrophobicContact CG-CB 4.49Å; P707-V773 HydrophobicContact CG-CG2 3.56Å
708	N	42.1	Very low	50.9	Low	54 Å²	54	79.6 Å²	79.6	29%	0.289	45%	0.45	S	S	.	.			trans	-72.4	89.3	-176.1	-169	8.9	0	0	0	111.5	A710 Q711	N708-A710 PolarHBondContact O-N 3.09Å; N708-A710 WeakPolarHBondContact OD1-CB 3.38Å; N708-Q711 PolarHBondContact O-N 2.93Å; N708-Q711 VanDerWaalsContact O-N 3.15Å
709	Q	40.7	Very low	53.6	Low	108 Å²	108	78.5 Å²	78.5	51%	0.505	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-50.7	-25.4	-177.2	-64.3	-177.7	2.7	0	0	113.6	P707 Q711 M712 Y772	P707-Q709 PolarHBondContact O-N 3.21Å; Q709-Q711 PolarHBondContact O-N 2.88Å; Q709-M712 PolarHBondContact O-N 2.83Å; Q709-Y772 HydrophobicContact CB-CD1 4.11Å; Q709-Y772 HydrophobicContact CB-CE1 3.86Å; Q709-Y772 HydrophobicContact CG-CD1 3.94Å; Q709-Y772 HydrophobicContact CG-CE1 3.84Å
710	A	42.9	Very low	56.4	Low	26 Å²	26	77 Å²	77	22%	0.215	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-44	-36.2	173.5	0	0	0	0	0	115.9	V697 N708	V697-A710 HydrophobicContact CB-CB 3.45Å; V697-A710 VanDerWaalsContact CB-CB 3.45Å; V697-A710 HydrophobicContact CG1-CB 3.49Å; V697-A710 VanDerWaalsContact CG1-CB 3.49Å; V697-A710 HydrophobicContact CG2-CB 4.45Å; N708-A710 PolarHBondContact O-N 3.09Å; N708-A710 WeakPolarHBondContact OD1-CB 3.38Å
711	Q	55.8	Low	59.4	Low	58 Å²	58	76.1 Å²	76.1	27%	0.271	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-93.4	-1.9	-161.3	-65.6	-165.7	8.1	0	0	113.8	N708 Q709 A775 R784	N708-Q711 PolarHBondContact O-N 2.93Å; N708-Q711 VanDerWaalsContact O-N 3.15Å; Q709-Q711 PolarHBondContact O-N 2.88Å; Q711-A775 HydrophobicContact CB-CB 4.29Å; Q711-A775 VanDerWaalsContact CB-O 3.31Å; Q711-A775 WeakPolarHBondContact CB-O 3.27Å; Q711-A775 PolarHBondContact OE1-O 2.7Å; Q711-A775 VanDerWaalsContact OE1-O 3.14Å; Q711-R784 VanDerWaalsContact OE1-CZ 3.22Å
712	M	67.1	Low	62.1	Low	26 Å²	26	73.6 Å²	73.6	13%	0.128	40%	0.401	C	S	.	.			trans	-96.1	100	-172.7	-175.5	161	159.3	0	0	111.8	Q709 L768 A771 Y772 A775 I788	Q709-M712 PolarHBondContact O-N 2.83Å; M712-L768 HydrophobicContact CE-CD2 3.76Å; M712-A771 HydrophobicContact CE-CB 3.54Å; M712-A771 HydrophobicContact SD-CB 3.85Å; M712-Y772 HydrophobicContact CB-CD1 4.04Å; M712-Y772 HydrophobicContact CB-CE1 4.1Å; M712-Y772 HydrophobicContact CG-CD1 4.35Å; M712-Y772 HydrophobicContact CG-CE1 4.33Å; M712-Y772 HydrophobicContact SD-CD1 3.31Å; M712-Y772 WeakPolarHBondContact SD-CD1 3.4Å; M712-Y772 HydrophobicContact SD-CD2 4.24Å; M712-Y772 HydrophobicContact SD-CE1 3.51Å; M712-Y772 VanDerWaalsContact SD-CE1 3.51Å; M712-Y772 HydrophobicContact SD-CE2 4.4Å; M712-Y772 HydrophobicContact SD-CG 3.7Å; M712-A775 HydrophobicContact CB-CB 3.75Å; M712-A775 HydrophobicContact CG-CB 4.35Å; M712-I788 HydrophobicContact CE-CB 4.19Å; M712-I788 HydrophobicContact CE-CD1 3.7Å; M712-I788 HydrophobicContact CE-CG2 3.69Å; M712-I788 HydrophobicContact CG-CG2 4.31Å
713	R	76.1	Confident	64.7	Low	77 Å²	77	70.5 Å²	70.5	29%	0.291	38%	0.38	S	S	.	.			trans	-78.7	131.1	177.8	-57.5	-176.1	-177.7	-161.8	1.2	111.1	L715 G787 I788 L1024	R713-L715 HydrophobicContact CB-CD2 4.06Å; R713-G787 CarbonylContact O-C 3.46Å; R713-G787 WeakPolarHBondContact O-CA 3.26Å; R713-I788 PolarHBondContact O-N 3.02Å; R713-L1024 VanDerWaalsContact NH2-CD2 3.26Å
714	I	82.2	Confident	67.4	Low	124 Å²	124	68.6 Å²	68.6	64%	0.636	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.6	169.1	-56.5	176.8	0	0	0	108	I788	I714-I788 WeakPolarHBondContact CA-O 3.13Å; I714-I788 HydrophobicContact CG1-CG2 4.28Å
715	L	85	Confident	70	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.037	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.2	-179.1	-53.7	-177.5	0	0	0	110.3	R713 E719 L720 W739 I788 C789 V797	R713-L715 HydrophobicContact CB-CD2 4.06Å; L715-E719 WeakPolarHBondContact CA-OE2 3.31Å; L715-L720 HydrophobicContact CB-CD1 4.12Å; L715-L720 HydrophobicContact CD1-CD1 4.38Å; L715-L720 HydrophobicContact CD1-CD2 4.2Å; L715-W739 HydrophobicContact CD1-CD2 4.49Å; L715-W739 HydrophobicContact CD2-CZ2 3.7Å; L715-I788 PolarHBondContact N-O 2.6Å; L715-C789 PolarHBondContact O-SG 2.83Å; L715-V797 HydrophobicContact CD1-CB 4.07Å; L715-V797 HydrophobicContact CD1-CG1 4.25Å; L715-V797 HydrophobicContact CD1-CG2 3.99Å
716	K	84.9	Confident	72.3	Confident	112 Å²	112	69.8 Å²	69.8	49%	0.487	35%	0.347	S	S	.	.			trans	-84	151.3	177.1	-56.8	170.7	-166.7	170.5	0	110	T718 E719 D742	K716-T718 WeakPolarHBondContact CB-OG1 3.44Å; K716-T718 PolarHBondContact O-N 3.2Å; K716-E719 HydrophobicContact CB-CG 4.18Å; K716-E719 PolarHBondContact N-OE2 3.37Å; K716-E719 WeakPolarHBondContact O-CB 3.39Å; K716-E719 PolarHBondContact O-N 2.99Å; K716-D742 IonicContact NZ-OD2 3.42Å; K716-D742 PolarHBondContact NZ-OD2 3.46Å
717	E	84.7	Confident	74.1	Confident	117 Å²	117	64.8 Å²	64.8	55%	0.547	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-62.6	-26.5	175.1	-172.1	158.8	-137.5	0	0	112.3	E719 L720 T791	E717-E719 VanDerWaalsContact C-N 3.25Å; E717-E719 PolarHBondContact O-N 3.42Å; E717-L720 PolarHBondContact O-N 3.49Å; E717-T791 HydrophobicContact CB-CG2 3.93Å; E717-T791 HydrophobicContact CG-CG2 4.33Å
718	T	86.6	Confident	75.8	Confident	117 Å²	117	67.1 Å²	67.1	72%	0.718	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.8	-24.3	173.2	49.7	0	0	0	0	114.1	K716	K716-T718 WeakPolarHBondContact CB-OG1 3.44Å; K716-T718 PolarHBondContact O-N 3.2Å
719	E	87.1	Confident	76.8	Confident	18 Å²	18	66.3 Å²	66.3	8%	0.084	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-87.2	-11.6	179.8	-61.3	177.3	103.6	0	0	112.6	L715 K716 E717 W739 I740 P741 D742	L715-E719 WeakPolarHBondContact CA-OE2 3.31Å; K716-E719 HydrophobicContact CB-CG 4.18Å; K716-E719 PolarHBondContact N-OE2 3.37Å; K716-E719 WeakPolarHBondContact O-CB 3.39Å; K716-E719 PolarHBondContact O-N 2.99Å; E717-E719 VanDerWaalsContact C-N 3.25Å; E717-E719 PolarHBondContact O-N 3.42Å; E719-W739 CarbonylContact O-C 3.52Å; E719-W739 WeakPolarHBondContact O-CA 3.47Å; E719-I740 WeakPolarHBondContact CA-O 3.34Å; E719-I740 VanDerWaalsContact CB-O 3.3Å; E719-I740 WeakPolarHBondContact CB-O 3.43Å; E719-I740 WeakPolarHBondContact CG-O 3.3Å; E719-I740 PolarHBondContact O-N 3.23Å; E719-P741 WeakPolarHBondContact OE1-CA 3.39Å; E719-D742 HydrophobicContact CG-CB 4.09Å; E719-D742 PolarHBondContact OE1-N 2.95Å
720	L	88.5	Confident	77.7	Confident	14 Å²	14	64.4 Å²	64.4	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	99.4	-166.7	-70.2	175.9	0	0	0	113.2	L715 E717 K722 W739 I752 C789 V797	L715-L720 HydrophobicContact CB-CD1 4.12Å; L715-L720 HydrophobicContact CD1-CD1 4.38Å; L715-L720 HydrophobicContact CD1-CD2 4.2Å; E717-L720 PolarHBondContact O-N 3.49Å; L720-K722 PolarHBondContact O-N 3.31Å; L720-W739 HydrophobicContact CD2-CB 3.89Å; L720-W739 HydrophobicContact CD2-CG 4.09Å; L720-I752 HydrophobicContact CB-CD1 4.22Å; L720-I752 HydrophobicContact CD2-CD1 4.12Å; L720-C789 HydrophobicContact CD1-CB 3.59Å; L720-V797 HydrophobicContact CD1-CG2 3.86Å; L720-V797 HydrophobicContact CD2-CG1 4.29Å; L720-V797 HydrophobicContact CD2-CG2 4.14Å
721	R	89.3	Confident	78.6	Confident	107 Å²	107	68.4 Å²	68.4	40%	0.404	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	101.8	176.3	-162.6	-179.2	75.7	175.3	6.5	111.4	G737 I738 D1013	R721-G737 CarbonylContact O-C 3.46Å; R721-G737 WeakPolarHBondContact O-CA 3.28Å; R721-I738 PolarHBondContact N-O 3.43Å; R721-I738 PolarHBondContact O-N 2.92Å; R721-D1013 IonicContact CZ-OD2 3.95Å; R721-D1013 IonicContact NH1-OD2 3.58Å; R721-D1013 PolarHBondContact NH1-OD2 3.17Å; R721-D1013 IonicContact NH2-OD2 2.8Å; R721-D1013 PolarHBondContact NH2-OD2 3.21Å
722	K	89.4	Confident	79.5	Confident	76 Å²	76	65.9 Å²	65.9	33%	0.33	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.1	170.1	-65.1	159.2	-173.8	158.6	0	109.8	L720 Y735 I752 Q795	L720-K722 PolarHBondContact O-N 3.31Å; K722-Y735 HydrophobicContact CB-CD1 4.27Å; K722-Y735 HydrophobicContact CB-CG 4.43Å; K722-Y735 HydrophobicContact CG-CG 4.33Å; K722-I752 HydrophobicContact CG-CD1 4.03Å; K722-Q795 VanDerWaalsContact NZ-CD 3.29Å; K722-Q795 VanDerWaalsContact NZ-NE2 3.12Å
723	V	85.2	Confident	80.3	Confident	57 Å²	57	66.2 Å²	66.2	35%	0.345	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-58.9	-174.8	-177.8	0	0	0	0	112	K736 I738	V723-K736 WeakPolarHBondContact CA-O 3.21Å; V723-K736 HydrophobicContact CB-CD 4.47Å; V723-K736 HydrophobicContact CB-CG 4.45Å; V723-K736 WeakPolarHBondContact CB-O 3.23Å; V723-K736 HydrophobicContact CG1-CD 4.38Å; V723-K736 PolarHBondContact N-O 3.03Å; V723-I738 HydrophobicContact CG2-CG1 4.37Å
724	K	85.9	Confident	80.8	Confident	72 Å²	72	64.6 Å²	64.6	31%	0.313	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.3	-170.4	178.8	174.6	175.4	175.9	0	110.1	Y735 K736 S1007	K724-Y735 CarbonylContact O-C 3.58Å; K724-Y735 VanDerWaalsContact O-CA 3.28Å; K724-Y735 WeakPolarHBondContact O-CA 3.33Å; K724-K736 HydrophobicContact CB-CB 4.21Å; K724-K736 HydrophobicContact CB-CD 4.46Å; K724-K736 PolarHBondContact N-O 2.9Å; K724-K736 PolarHBondContact O-N 2.95Å; K724-S1007 PolarHBondContact NZ-O 3.42Å
725	V	86.7	Confident	81.2	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.1	173.2	177	0	0	0	0	109.3	T733 Y735	V725-T733 HydrophobicContact CG1-CG2 3.86Å; V725-T733 HydrophobicContact CG2-CG2 4.22Å; V725-Y735 HydrophobicContact CG2-CD1 3.84Å; V725-Y735 HydrophobicContact CG2-CE1 3.53Å
726	L	82.2	Confident	81.3	Confident	47 Å²	47	61.7 Å²	61.7	25%	0.246	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-34.4	174.1	-63.9	175.6	0	0	0	111.9	V734 K736 L800 F1004 L1008	L726-V734 HydrophobicContact CB-CG1 4.42Å; L726-V734 HydrophobicContact CD1-CG1 4.35Å; L726-V734 PolarHBondContact N-O 3.16Å; L726-K736 HydrophobicContact CD1-CB 4.15Å; L726-K736 HydrophobicContact CD2-CB 4.02Å; L726-K736 HydrophobicContact CG-CB 4.05Å; L726-L800 HydrophobicContact CD1-CD1 3.62Å; L726-F1004 HydrophobicContact CD2-CE2 3.88Å; L726-F1004 HydrophobicContact CD2-CZ 3.85Å; L726-L1008 HydrophobicContact CD2-CD2 3.88Å
727	G	76.1	Confident	81.5	Confident	33 Å²	33	56.4 Å²	56.4	34%	0.34	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	162.5	177.6	0	0	0	0	0	112.6	V734	G727-V734 PolarHBondContact N-O 2.79Å; G727-V734 PolarHBondContact O-N 3.48Å
728	S	72.7	Confident	81.8	Confident	86 Å²	86	50.9 Å²	50.9	60%	0.601	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.7	178.8	-61.1	0	0	0	0	109.3
729	G	63.7	Low	81.9	Confident	37 Å²	37	45.7 Å²	45.7	38%	0.381	26%	0.259	S	S	.	.			trans	-143.3	-169.6	-176.1	0	0	0	0	0	113.2	F731 G732 R756	G729-F731 VanDerWaalsContact C-N 3.33Å; G729-F731 PolarHBondContact O-N 2.69Å; G729-G732 PolarHBondContact N-O 2.89Å; G729-R756 PolarHBondContact O-NE 3.2Å; G729-R756 PolarHBondContact O-NH2 2.83Å
730	A	58.9	Low	81.9	Confident	67 Å²	67	47.6 Å²	47.6	55%	0.554	27%	0.27	S	S	*	.	S	Bend	trans	-60.6	-41.2	-179.6	0	0	0	0	0	112.5	R756	A730-R756 PolarHBondContact O-NE 3.28Å
731	F	63.4	Low	81.6	Confident	110 Å²	110	47.3 Å²	47.3	48%	0.482	27%	0.268	S	S	.	.	S	Bend	trans	-80.5	-26.4	-175.7	-56.5	-76.6	0	0	0	114.2	G729 L755 R756 L866	G729-F731 VanDerWaalsContact C-N 3.33Å; G729-F731 PolarHBondContact O-N 2.69Å; F731-L755 HydrophobicContact CB-CD2 4.49Å; F731-L755 WeakPolarHBondContact O-CA 3.4Å; F731-R756 PolarHBondContact O-N 3.22Å; F731-L866 HydrophobicContact CE1-CD2 4.3Å; F731-L866 HydrophobicContact CZ-CD2 4.22Å; F731-L866 HydrophobicContact CZ-CG 4.42Å
732	G	74	Confident	81.1	Confident	5 Å²	5	45.2 Å²	45.2	5%	0.052	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	-168.2	-168.7	0	0	0	0	0	115	G729 V754	G729-G732 PolarHBondContact N-O 2.89Å; G732-V754 CarbonylContact C-O 3.48Å; G732-V754 WeakPolarHBondContact CA-O 3.49Å
733	T	83.5	Confident	80.2	Confident	33 Å²	33	44.6 Å²	44.6	20%	0.202	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.5	173.3	-58	0	0	0	0	109.4	V725 Y735 V754	V725-T733 HydrophobicContact CG1-CG2 3.86Å; V725-T733 HydrophobicContact CG2-CG2 4.22Å; T733-Y735 HydrophobicContact CG2-CD2 4.18Å; T733-Y735 HydrophobicContact CG2-CE2 3.56Å; T733-V754 PolarHBondContact N-O 2.78Å; T733-V754 PolarHBondContact O-N 2.73Å
734	V	87.5	Confident	79.8	Confident	44 Å²	44	43.6 Å²	43.6	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.5	178.9	-172	0	0	0	0	109.8	L726 G727 A751 I752 K753	L726-V734 HydrophobicContact CB-CG1 4.42Å; L726-V734 HydrophobicContact CD1-CG1 4.35Å; L726-V734 PolarHBondContact N-O 3.16Å; G727-V734 PolarHBondContact N-O 2.79Å; G727-V734 PolarHBondContact O-N 3.48Å; V734-A751 HydrophobicContact CG1-CB 4.12Å; V734-I752 CarbonylContact C-O 3.44Å; V734-I752 WeakPolarHBondContact CA-O 3.38Å; V734-K753 HydrophobicContact CG2-CB 4.12Å; V734-K753 HydrophobicContact CG2-CG 4.12Å
735	Y	90.2	Very high	79.2	Confident	67 Å²	67	48.3 Å²	48.3	26%	0.263	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.4	177	-62.5	-101.5	0	0	0	111	K722 K724 V725 T733 G737 A751 I752 V754	K722-Y735 HydrophobicContact CB-CD1 4.27Å; K722-Y735 HydrophobicContact CB-CG 4.43Å; K722-Y735 HydrophobicContact CG-CG 4.33Å; K724-Y735 CarbonylContact O-C 3.58Å; K724-Y735 VanDerWaalsContact O-CA 3.28Å; K724-Y735 WeakPolarHBondContact O-CA 3.33Å; V725-Y735 HydrophobicContact CG2-CD1 3.84Å; V725-Y735 HydrophobicContact CG2-CE1 3.53Å; T733-Y735 HydrophobicContact CG2-CD2 4.18Å; T733-Y735 HydrophobicContact CG2-CE2 3.56Å; Y735-G737 PolarHBondContact O-N 3.46Å; Y735-A751 CarbonylContact O-C 3.59Å; Y735-A751 WeakPolarHBondContact O-CA 3.46Å; Y735-I752 PolarHBondContact N-O 3.16Å; Y735-I752 PolarHBondContact O-N 2.94Å; Y735-V754 HydrophobicContact CD2-CG2 3.84Å; Y735-V754 HydrophobicContact CE2-CB 4.2Å; Y735-V754 HydrophobicContact CE2-CG2 3.74Å
736	K	87.7	Confident	78.8	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124	152.8	-179	-171.4	178.4	-176.2	0	106.1	V723 K724 L726 L800 L1008 D1011	V723-K736 WeakPolarHBondContact CA-O 3.21Å; V723-K736 HydrophobicContact CB-CD 4.47Å; V723-K736 HydrophobicContact CB-CG 4.45Å; V723-K736 WeakPolarHBondContact CB-O 3.23Å; V723-K736 HydrophobicContact CG1-CD 4.38Å; V723-K736 PolarHBondContact N-O 3.03Å; K724-K736 HydrophobicContact CB-CB 4.21Å; K724-K736 HydrophobicContact CB-CD 4.46Å; K724-K736 PolarHBondContact N-O 2.9Å; K724-K736 PolarHBondContact O-N 2.95Å; L726-K736 HydrophobicContact CD1-CB 4.15Å; L726-K736 HydrophobicContact CD2-CB 4.02Å; L726-K736 HydrophobicContact CG-CB 4.05Å; K736-L800 HydrophobicContact CG-CD2 4.19Å; K736-L1008 HydrophobicContact CD-CD2 3.84Å; K736-L1008 HydrophobicContact CG-CD2 4.31Å; K736-L1008 PolarHBondContact NZ-O 3.23Å; K736-D1011 IonicContact NZ-OD2 3.68Å; K736-D1011 PolarHBondContact NZ-OD2 3.27Å
737	G	89	Confident	78.8	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	169.9	176.6	0	0	0	0	0	111.9	R721 Y735 V750	R721-G737 CarbonylContact O-C 3.46Å; R721-G737 WeakPolarHBondContact O-CA 3.28Å; Y735-G737 PolarHBondContact O-N 3.46Å; G737-V750 PolarHBondContact N-O 3.29Å; G737-V750 PolarHBondContact O-N 3.08Å
738	I	89.5	Confident	79.1	Confident	2 Å²	2	45 Å²	45	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127	165.6	-57.7	-174.6	0	0	0	107.2	R721 V723 I740 K747 I748 M1014 L1017	R721-I738 PolarHBondContact N-O 3.43Å; R721-I738 PolarHBondContact O-N 2.92Å; V723-I738 HydrophobicContact CG2-CG1 4.37Å; I738-I740 HydrophobicContact CG2-CG1 3.95Å; I738-K747 HydrophobicContact CG2-CB 3.73Å; I738-K747 HydrophobicContact CG2-CG 4.1Å; I738-I748 WeakPolarHBondContact CA-O 3.34Å; I738-M1014 HydrophobicContact CD1-SD 4.32Å; I738-L1017 HydrophobicContact CD1-CD2 4.48Å
739	W	88.5	Confident	79.9	Confident	7 Å²	7	42 Å²	42	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	167.9	176.6	38.4	0	0	0	108.7	L715 E719 L720 P741 I748 V750 Y1023	L715-W739 HydrophobicContact CD1-CD2 4.49Å; L715-W739 HydrophobicContact CD2-CZ2 3.7Å; E719-W739 CarbonylContact O-C 3.52Å; E719-W739 WeakPolarHBondContact O-CA 3.47Å; L720-W739 HydrophobicContact CD2-CB 3.89Å; L720-W739 HydrophobicContact CD2-CG 4.09Å; W739-P741 HydrophobicContact CD2-CG 4.26Å; W739-P741 HydrophobicContact CH2-CG 4.4Å; W739-P741 HydrophobicContact CZ2-CB 4.28Å; W739-P741 HydrophobicContact CZ2-CG 3.96Å; W739-I748 HydrophobicContact CB-CB 4.4Å; W739-I748 HydrophobicContact CD2-CD1 4.16Å; W739-I748 HydrophobicContact CE3-CB 4.29Å; W739-I748 HydrophobicContact CE3-CD1 3.46Å; W739-I748 VanDerWaalsContact CE3-CD1 3.46Å; W739-I748 HydrophobicContact CE3-CG1 4.47Å; W739-I748 HydrophobicContact CE3-CG2 4.34Å; W739-I748 HydrophobicContact CH2-CD1 4.49Å; W739-I748 HydrophobicContact CZ3-CD1 3.66Å; W739-I748 PolarHBondContact N-O 2.94Å; W739-I748 PolarHBondContact O-N 2.66Å; W739-V750 HydrophobicContact CB-CG1 3.86Å; W739-V750 HydrophobicContact CB-CG2 4.1Å; W739-Y1023 HydrophobicContact CH2-CD1 4.43Å; W739-Y1023 AromaticContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CZ3-CD1 4.12Å; W739-Y1023 AromaticContact CZ3-CE1 3.92Å; W739-Y1023 HydrophobicContact CZ3-CE1 3.92Å
740	I	87.6	Confident	81.1	Confident	59 Å²	59	40.2 Å²	40.2	30%	0.303	23%	0.232	S	C	.	.			trans	-125	99.8	178.7	-53.7	179.1	0	0	0	106.6	E719 I738	E719-I740 WeakPolarHBondContact CA-O 3.34Å; E719-I740 VanDerWaalsContact CB-O 3.3Å; E719-I740 WeakPolarHBondContact CB-O 3.43Å; E719-I740 WeakPolarHBondContact CG-O 3.3Å; E719-I740 PolarHBondContact O-N 3.23Å; I738-I740 HydrophobicContact CG2-CG1 3.95Å
741	P	82.5	Confident	82.6	Confident	7 Å²	7	37.6 Å²	37.6	5%	0.045	21%	0.21	C	C	.	.			trans	-62.7	142.3	-174.8	-23.2	33.7	0	0	0	113.7	E719 W739 G743 E744 V746 I748 Y1023	E719-P741 WeakPolarHBondContact OE1-CA 3.39Å; W739-P741 HydrophobicContact CD2-CG 4.26Å; W739-P741 HydrophobicContact CH2-CG 4.4Å; W739-P741 HydrophobicContact CZ2-CB 4.28Å; W739-P741 HydrophobicContact CZ2-CG 3.96Å; P741-G743 PolarHBondContact O-N 2.89Å; P741-E744 HydrophobicContact CB-CB 4.32Å; P741-E744 PolarHBondContact O-N 3.06Å; P741-V746 WeakPolarHBondContact CD-O 3.08Å; P741-I748 HydrophobicContact CG-CD1 3.94Å; P741-Y1023 WeakPolarHBondContact CB-OH 3.49Å; P741-Y1023 HydrophobicContact CG-CE1 4.22Å; P741-Y1023 HydrophobicContact CG-CE2 4.37Å; P741-Y1023 VanDerWaalsContact CG-OH 3.22Å; P741-Y1023 WeakPolarHBondContact CG-OH 3.45Å
742	D	78	Confident	83.9	Confident	63 Å²	63	32.3 Å²	32.3	34%	0.337	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	95.5	-167.6	-133.4	35.4	0	0	0	114.5	R689 K716 E719	R689-D742 PolarHBondContact NH2-O 3.36Å; K716-D742 IonicContact NZ-OD2 3.42Å; K716-D742 PolarHBondContact NZ-OD2 3.46Å; E719-D742 HydrophobicContact CG-CB 4.09Å; E719-D742 PolarHBondContact OE1-N 2.95Å
743	G	72.4	Confident	84.5	Confident	63 Å²	63	33.2 Å²	33.2	65%	0.649	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.7	8.5	-176.8	0	0	0	0	0	114.6	P741	P741-G743 PolarHBondContact O-N 2.89Å
744	E	76	Confident	84.7	Confident	36 Å²	36	32.6 Å²	32.6	17%	0.168	19%	0.186	C	C	.	.			trans	-116	154.5	173.7	-65	-166.7	-133.5	0	0	112.5	T686 L690 P741 V746 Y1023	T686-E744 HydrophobicContact CG2-CG 4.21Å; L690-E744 WeakPolarHBondContact CD2-OE1 3Å; L690-E744 WeakPolarHBondContact CG-OE1 3.44Å; P741-E744 HydrophobicContact CB-CB 4.32Å; P741-E744 PolarHBondContact O-N 3.06Å; E744-V746 VanDerWaalsContact C-N 3.35Å; E744-V746 HydrophobicContact CB-CG2 4.43Å; E744-Y1023 PolarHBondContact OE1-OH 3.31Å
745	N	73.5	Confident	84.2	Confident	171 Å²	171	31.2 Å²	31.2	91%	0.914	18%	0.177	S	C	*	.			trans	-99.4	24.6	178	-65.7	-21	0	0	0	111.9
746	V	79	Confident	83.1	Confident	34 Å²	34	35.2 Å²	35.2	21%	0.206	19%	0.191	C	C	.	.			trans	-94.9	133.1	-177.9	-174.4	0	0	0	0	109.4	P741 E744 I748 V1018 Y1023	P741-V746 WeakPolarHBondContact CD-O 3.08Å; E744-V746 VanDerWaalsContact C-N 3.35Å; E744-V746 HydrophobicContact CB-CG2 4.43Å; V746-I748 HydrophobicContact CG1-CD1 4.48Å; V746-I748 HydrophobicContact CG1-CG1 3.95Å; V746-V1018 HydrophobicContact CG1-CB 3.96Å; V746-V1018 HydrophobicContact CG1-CG2 3.77Å; V746-Y1023 HydrophobicContact CB-CE2 4.37Å; V746-Y1023 HydrophobicContact CG1-CD2 4.06Å; V746-Y1023 HydrophobicContact CG1-CE2 4.27Å; V746-Y1023 HydrophobicContact CG2-CE2 4.38Å
747	K	80.8	Confident	81.7	Confident	51 Å²	51	41.2 Å²	41.2	22%	0.222	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-104.9	120.7	172.3	-67.8	176	179.4	174.5	0	109.4	I738 D1013 L1017 V1018	I738-K747 HydrophobicContact CG2-CB 3.73Å; I738-K747 HydrophobicContact CG2-CG 4.1Å; K747-D1013 PolarHBondContact NZ-O 3.21Å; K747-D1013 IonicContact NZ-OD1 3.51Å; K747-D1013 PolarHBondContact NZ-OD1 3.07Å; K747-D1013 IonicContact NZ-OD2 2.65Å; K747-L1017 HydrophobicContact CB-CD2 3.67Å; K747-L1017 HydrophobicContact CD-CD2 4.5Å; K747-V1018 PolarHBondContact O-N 3.35Å
748	I	83.7	Confident	79.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.3	-177.8	-55.5	165.9	0	0	0	108.9	I738 W739 P741 V746 V750 A1020 Y1023	I738-I748 WeakPolarHBondContact CA-O 3.34Å; W739-I748 HydrophobicContact CB-CB 4.4Å; W739-I748 HydrophobicContact CD2-CD1 4.16Å; W739-I748 HydrophobicContact CE3-CB 4.29Å; W739-I748 HydrophobicContact CE3-CD1 3.46Å; W739-I748 VanDerWaalsContact CE3-CD1 3.46Å; W739-I748 HydrophobicContact CE3-CG1 4.47Å; W739-I748 HydrophobicContact CE3-CG2 4.34Å; W739-I748 HydrophobicContact CH2-CD1 4.49Å; W739-I748 HydrophobicContact CZ3-CD1 3.66Å; W739-I748 PolarHBondContact N-O 2.94Å; W739-I748 PolarHBondContact O-N 2.66Å; P741-I748 HydrophobicContact CG-CD1 3.94Å; V746-I748 HydrophobicContact CG1-CD1 4.48Å; V746-I748 HydrophobicContact CG1-CG1 3.95Å; I748-V750 HydrophobicContact CG2-CG1 4.14Å; I748-V750 PolarHBondContact O-N 2.94Å; I748-A1020 HydrophobicContact CG2-CB 3.78Å; I748-Y1023 HydrophobicContact CD1-CD1 3.4Å; I748-Y1023 HydrophobicContact CD1-CD2 3.83Å; I748-Y1023 HydrophobicContact CD1-CE1 3.63Å; I748-Y1023 HydrophobicContact CD1-CE2 4.04Å; I748-Y1023 HydrophobicContact CD1-CG 3.5Å; I748-Y1023 HydrophobicContact CG1-CD2 4.49Å; I748-Y1023 HydrophobicContact CG1-CG 4.3Å
749	P	87.8	Confident	77.9	Confident	23 Å²	23	53.3 Å²	53.3	15%	0.149	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.8	179.5	30.8	-31.6	0	0	0	111	L800 V1018	P749-L800 HydrophobicContact CB-CB 4.25Å; P749-L800 HydrophobicContact CB-CD2 4.09Å; P749-L800 WeakPolarHBondContact O-CB 3.46Å; P749-L800 PolarHBondContact O-N 3.23Å; P749-V1018 WeakPolarHBondContact CD-O 3Å
750	V	90.7	Very high	75.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.8	-172.3	-64.5	0	0	0	0	112.7	G737 W739 I748 I752 L786 V797 T798	G737-V750 PolarHBondContact N-O 3.29Å; G737-V750 PolarHBondContact O-N 3.08Å; W739-V750 HydrophobicContact CB-CG1 3.86Å; W739-V750 HydrophobicContact CB-CG2 4.1Å; I748-V750 HydrophobicContact CG2-CG1 4.14Å; I748-V750 PolarHBondContact O-N 2.94Å; V750-I752 HydrophobicContact CG2-CD1 4.14Å; V750-I752 HydrophobicContact CG2-CG1 3.87Å; V750-L786 HydrophobicContact CG1-CD1 3.64Å; V750-V797 HydrophobicContact CB-CG1 3.73Å; V750-V797 HydrophobicContact CG1-CG1 3.91Å; V750-V797 HydrophobicContact CG2-CG1 3.99Å; V750-T798 CarbonylContact C-O 3.57Å; V750-T798 WeakPolarHBondContact CA-O 3.26Å; V750-T798 WeakPolarHBondContact CB-O 3.24Å
751	A	90.3	Very high	74.1	Confident	11 Å²	11	58 Å²	58	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.9	164.8	0	0	0	0	0	109	V734 Y735 V797 T798 L800	V734-A751 HydrophobicContact CG1-CB 4.12Å; Y735-A751 CarbonylContact O-C 3.59Å; Y735-A751 WeakPolarHBondContact O-CA 3.46Å; A751-V797 WeakPolarHBondContact O-CA 3.39Å; A751-T798 PolarHBondContact N-O 2.9Å; A751-T798 PolarHBondContact O-N 3.28Å; A751-L800 HydrophobicContact CB-CD1 4.36Å
752	I	89.6	Confident	72.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	102.1	-176.9	-54.1	174.8	0	0	0	108.4	L720 K722 V734 Y735 V750 V754 Q795 V797	L720-I752 HydrophobicContact CB-CD1 4.22Å; L720-I752 HydrophobicContact CD2-CD1 4.12Å; K722-I752 HydrophobicContact CG-CD1 4.03Å; V734-I752 CarbonylContact C-O 3.44Å; V734-I752 WeakPolarHBondContact CA-O 3.38Å; Y735-I752 PolarHBondContact N-O 3.16Å; Y735-I752 PolarHBondContact O-N 2.94Å; V750-I752 HydrophobicContact CG2-CD1 4.14Å; V750-I752 HydrophobicContact CG2-CG1 3.87Å; I752-V754 HydrophobicContact CG2-CG2 4.13Å; I752-V754 PolarHBondContact O-N 3.44Å; I752-Q795 HydrophobicContact CG2-CB 3.95Å; I752-V797 HydrophobicContact CG1-CG1 4.5Å; I752-V797 HydrophobicContact CG1-CG2 4.38Å; I752-V797 HydrophobicContact CG2-CG2 4.44Å
753	K	87.2	Confident	71.4	Confident	24 Å²	24	61.5 Å²	61.5	10%	0.104	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	94.9	177.3	179.6	-179.9	175.2	-173.2	0	109	V734 L755 Q795 L796 D863	V734-K753 HydrophobicContact CG2-CB 4.12Å; V734-K753 HydrophobicContact CG2-CG 4.12Å; K753-L755 HydrophobicContact CD-CD2 4.41Å; K753-L755 HydrophobicContact CG-CD2 4.1Å; K753-L755 PolarHBondContact O-N 3.35Å; K753-Q795 WeakPolarHBondContact O-CA 3.46Å; K753-L796 HydrophobicContact CB-CB 4.32Å; K753-L796 PolarHBondContact N-O 3.05Å; K753-L796 PolarHBondContact O-N 2.81Å; K753-D863 IonicContact NZ-OD1 2.79Å; K753-D863 PolarHBondContact NZ-OD1 2.75Å
754	V	86.4	Confident	70.9	Confident	20 Å²	20	62.5 Å²	62.5	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115	175.6	-178.1	0	0	0	0	108.5	G732 T733 Y735 I752 T793 Q795	G732-V754 CarbonylContact C-O 3.48Å; G732-V754 WeakPolarHBondContact CA-O 3.49Å; T733-V754 PolarHBondContact N-O 2.78Å; T733-V754 PolarHBondContact O-N 2.73Å; Y735-V754 HydrophobicContact CD2-CG2 3.84Å; Y735-V754 HydrophobicContact CE2-CB 4.2Å; Y735-V754 HydrophobicContact CE2-CG2 3.74Å; I752-V754 HydrophobicContact CG2-CG2 4.13Å; I752-V754 PolarHBondContact O-N 3.44Å; V754-T793 HydrophobicContact CG1-CG2 4.12Å; V754-T793 WeakPolarHBondContact CG1-OG1 3.25Å; V754-Q795 HydrophobicContact CG2-CB 4.32Å; V754-Q795 HydrophobicContact CG2-CG 4.2Å
755	L	77.1	Confident	70.2	Confident	15 Å²	15	67.1 Å²	67.1	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	151	-178.4	-56.6	179.6	0	0	0	111.3	F731 K753 I767 V794 L796	F731-L755 HydrophobicContact CB-CD2 4.49Å; F731-L755 WeakPolarHBondContact O-CA 3.4Å; K753-L755 HydrophobicContact CD-CD2 4.41Å; K753-L755 HydrophobicContact CG-CD2 4.1Å; K753-L755 PolarHBondContact O-N 3.35Å; L755-I767 HydrophobicContact CD1-CD1 4.14Å; L755-I767 HydrophobicContact CD1-CG1 4.19Å; L755-I767 HydrophobicContact CD1-CG2 3.58Å; L755-V794 HydrophobicContact CD1-CB 4.12Å; L755-V794 HydrophobicContact CD1-CG1 4.03Å; L755-V794 PolarHBondContact N-O 3.44Å; L755-L796 HydrophobicContact CD1-CD1 4.24Å; L755-L796 HydrophobicContact CD1-CG 4.36Å; L755-L796 HydrophobicContact CD2-CD1 4.36Å
756	R	68.5	Low	69.7	Low	150 Å²	150	62.3 Å²	62.3	57%	0.566	32%	0.322	S	S	*	.			trans	-73.2	140.4	175.6	-59	-172.5	-174.1	-136.7	2.7	110.6	G729 A730 F731 N758	G729-R756 PolarHBondContact O-NE 3.2Å; G729-R756 PolarHBondContact O-NH2 2.83Å; A730-R756 PolarHBondContact O-NE 3.28Å; F731-R756 PolarHBondContact O-N 3.22Å; R756-N758 PolarHBondContact O-N 2.82Å; R756-N758 VanDerWaalsContact O-N 3.14Å
757	E	58.3	Low	69.1	Low	128 Å²	128	62.1 Å²	62.1	60%	0.598	32%	0.319	S	S	*	.			trans	-65.2	110	179.5	-62.9	-178.6	174	0	0	111.7	T793	E757-T793 HydrophobicContact CG-CG2 3.62Å
758	N	50.9	Low	68.5	Low	115 Å²	115	62.5 Å²	62.5	62%	0.615	32%	0.324	S	S	*	.			trans	-116.1	102.8	168.2	-80.9	-26.5	0	0	0	108.3	R756 S760 A763	R756-N758 PolarHBondContact O-N 2.82Å; R756-N758 VanDerWaalsContact O-N 3.14Å; N758-S760 PolarHBondContact O-N 3.17Å; N758-A763 HydrophobicContact CB-CB 4.41Å
759	T	47	Very low	67.6	Low	143 Å²	143	65.9 Å²	65.9	88%	0.877	34%	0.342	S	S	*	.			trans	-73.1	28.5	-164.4	49.3	0	0	0	0	116.2
760	S	47.2	Very low	66.5	Low	54 Å²	54	66.4 Å²	66.4	38%	0.378	34%	0.342	S	S	.	.			trans	-104	134.5	178.3	79.1	0	0	0	0	112.2	N758 K762 A763 N764	N758-S760 PolarHBondContact O-N 3.17Å; S760-K762 PolarHBondContact O-N 3.49Å; S760-A763 PolarHBondContact O-N 3.15Å; S760-A763 VanDerWaalsContact O-N 3.17Å; S760-A763 VanDerWaalsContact OG-CB 3.29Å; S760-A763 WeakPolarHBondContact OG-CB 3.01Å; S760-A763 PolarHBondContact OG-N 3.35Å; S760-N764 PolarHBondContact O-N 3.24Å
761	P	49.9	Very low	65.6	Low	111 Å²	111	66.4 Å²	66.4	72%	0.721	34%	0.342	S	S	*	.	H	α-helix	trans	-58.6	-29.4	174	-27.1	35.8	0	0	0	113.9	N764 K765	P761-N764 PolarHBondContact O-N 2.8Å; P761-K765 PolarHBondContact O-N 3.15Å
762	K	46.4	Very low	64.7	Low	127 Å²	127	69.1 Å²	69.1	55%	0.552	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-46.4	175.8	-170	-176.1	177.3	-169.4	0	111.4	S760 N764 K765 E766	S760-K762 PolarHBondContact O-N 3.49Å; K762-N764 VanDerWaalsContact C-N 3.33Å; K762-N764 PolarHBondContact O-N 2.83Å; K762-K765 PolarHBondContact O-N 2.79Å; K762-E766 VanDerWaalsContact CE-OE1 3.26Å; K762-E766 WeakPolarHBondContact CE-OE1 3.25Å; K762-E766 IonicContact NZ-OE1 2.9Å; K762-E766 PolarHBondContact O-N 2.94Å
763	A	56.5	Low	63.7	Low	16 Å²	16	69.8 Å²	69.8	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-62.2	-39.5	177.6	0	0	0	0	0	112	N758 S760 K765 E766 I767	N758-A763 HydrophobicContact CB-CB 4.41Å; S760-A763 PolarHBondContact O-N 3.15Å; S760-A763 VanDerWaalsContact O-N 3.17Å; S760-A763 VanDerWaalsContact OG-CB 3.29Å; S760-A763 WeakPolarHBondContact OG-CB 3.01Å; S760-A763 PolarHBondContact OG-N 3.35Å; A763-K765 VanDerWaalsContact C-N 3.31Å; A763-K765 PolarHBondContact O-N 3.47Å; A763-E766 PolarHBondContact O-N 2.91Å; A763-I767 WeakPolarHBondContact O-CB 3.45Å; A763-I767 WeakPolarHBondContact O-CD1 3.4Å; A763-I767 VanDerWaalsContact O-CG1 3.24Å; A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 3.23Å
764	N	61.8	Low	63.1	Low	84 Å²	84	68.9 Å²	68.9	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-38.3	176.6	-73.1	-2.6	0	0	0	112.4	S760 P761 K762 L768	S760-N764 PolarHBondContact O-N 3.24Å; P761-N764 PolarHBondContact O-N 2.8Å; K762-N764 VanDerWaalsContact C-N 3.33Å; K762-N764 PolarHBondContact O-N 2.83Å; N764-L768 VanDerWaalsContact O-CG 3.31Å; N764-L768 WeakPolarHBondContact O-CG 3.33Å; N764-L768 PolarHBondContact O-N 2.83Å
765	K	62.3	Low	62.6	Low	133 Å²	133	68 Å²	68	58%	0.578	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-50.3	172.6	-178.3	178.3	172.2	178.9	0	111.1	P761 K762 A763 I767 L768 D769	P761-K765 PolarHBondContact O-N 3.15Å; K762-K765 PolarHBondContact O-N 2.79Å; A763-K765 VanDerWaalsContact C-N 3.31Å; A763-K765 PolarHBondContact O-N 3.47Å; K765-I767 VanDerWaalsContact C-N 3.26Å; K765-I767 PolarHBondContact O-N 3.45Å; K765-L768 PolarHBondContact O-N 3.42Å; K765-D769 WeakPolarHBondContact CE-OD2 2.97Å; K765-D769 WeakPolarHBondContact CG-OD2 3.37Å; K765-D769 PolarHBondContact O-N 3.11Å
766	E	63.4	Low	62.4	Low	70 Å²	70	68.3 Å²	68.3	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-35.8	-177.1	-68.4	177.9	153.3	0	0	112.2	K762 A763 E770 R868	K762-E766 VanDerWaalsContact CE-OE1 3.26Å; K762-E766 WeakPolarHBondContact CE-OE1 3.25Å; K762-E766 IonicContact NZ-OE1 2.9Å; K762-E766 PolarHBondContact O-N 2.94Å; A763-E766 PolarHBondContact O-N 2.91Å; E766-E770 WeakPolarHBondContact O-CB 3.29Å; E766-E770 PolarHBondContact O-N 2.95Å; E766-R868 VanDerWaalsContact CD-NH2 3.33Å; E766-R868 IonicContact OE1-CZ 3.89Å; E766-R868 IonicContact OE1-NH2 3.26Å; E766-R868 PolarHBondContact OE1-NH2 2.72Å
767	I	65.7	Low	62.8	Low	29 Å²	29	61.3 Å²	61.3	15%	0.149	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-35.6	173.5	-70	163.4	0	0	0	112.5	L755 A763 K765 A771 V794	L755-I767 HydrophobicContact CD1-CD1 4.14Å; L755-I767 HydrophobicContact CD1-CG1 4.19Å; L755-I767 HydrophobicContact CD1-CG2 3.58Å; A763-I767 WeakPolarHBondContact O-CB 3.45Å; A763-I767 WeakPolarHBondContact O-CD1 3.4Å; A763-I767 VanDerWaalsContact O-CG1 3.24Å; A763-I767 WeakPolarHBondContact O-CG1 3.4Å; A763-I767 PolarHBondContact O-N 3.23Å; K765-I767 VanDerWaalsContact C-N 3.26Å; K765-I767 PolarHBondContact O-N 3.45Å; I767-A771 WeakPolarHBondContact O-CB 3.4Å; I767-A771 PolarHBondContact O-N 3.31Å; I767-V794 HydrophobicContact CG2-CB 4.35Å; I767-V794 HydrophobicContact CG2-CG1 3.83Å; I767-V794 HydrophobicContact CG2-CG2 4.47Å
768	L	68	Low	63.8	Low	59 Å²	59	58 Å²	58	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-73	-42.4	175.9	-73.2	169.6	0	0	0	111.3	M712 N764 K765 E770 A771 Y772 I788 L790	M712-L768 HydrophobicContact CE-CD2 3.76Å; N764-L768 VanDerWaalsContact O-CG 3.31Å; N764-L768 WeakPolarHBondContact O-CG 3.33Å; N764-L768 PolarHBondContact O-N 2.83Å; K765-L768 PolarHBondContact O-N 3.42Å; L768-E770 VanDerWaalsContact C-N 3.32Å; L768-E770 PolarHBondContact O-N 2.93Å; L768-A771 PolarHBondContact O-N 3.29Å; L768-Y772 WeakPolarHBondContact O-CD2 3.43Å; L768-Y772 PolarHBondContact O-N 2.87Å; L768-I788 HydrophobicContact CD2-CD1 4Å; L768-L790 HydrophobicContact CD2-CD2 4.4Å
769	D	64.1	Low	65.5	Low	72 Å²	72	53.2 Å²	53.2	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-41.8	174.3	-66.2	-21.3	0	0	0	110.7	K765 Y772 V773	K765-D769 WeakPolarHBondContact CE-OD2 2.97Å; K765-D769 WeakPolarHBondContact CG-OD2 3.37Å; K765-D769 PolarHBondContact O-N 3.11Å; D769-Y772 PolarHBondContact O-N 3.15Å; D769-V773 WeakPolarHBondContact O-CG2 3.45Å; D769-V773 PolarHBondContact O-N 2.92Å; D769-V773 VanDerWaalsContact O-N 3.14Å
770	E	65	Low	67.6	Low	33 Å²	33	49.6 Å²	49.6	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-49.9	170	-177.2	-170.5	160.6	0	0	111.7	E766 L768 Y772 V773 M774 G865	E766-E770 WeakPolarHBondContact O-CB 3.29Å; E766-E770 PolarHBondContact O-N 2.95Å; L768-E770 VanDerWaalsContact C-N 3.32Å; L768-E770 PolarHBondContact O-N 2.93Å; E770-Y772 PolarHBondContact O-N 3.14Å; E770-V773 WeakPolarHBondContact O-CB 3.38Å; E770-V773 PolarHBondContact O-N 3.09Å; E770-M774 HydrophobicContact CG-SD 4.39Å; E770-M774 WeakPolarHBondContact O-CG 3.29Å; E770-M774 PolarHBondContact O-N 3.17Å; E770-G865 VanDerWaalsContact CD-CA 3.47Å; E770-G865 WeakPolarHBondContact OE1-CA 3.47Å
771	A	72.2	Confident	69.8	Low	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.9	-36.9	-178.9	0	0	0	0	0	112.9	M712 I767 L768 M774 A775 L785 I788 L796	M712-A771 HydrophobicContact CE-CB 3.54Å; M712-A771 HydrophobicContact SD-CB 3.85Å; I767-A771 WeakPolarHBondContact O-CB 3.4Å; I767-A771 PolarHBondContact O-N 3.31Å; L768-A771 PolarHBondContact O-N 3.29Å; A771-M774 PolarHBondContact O-N 2.8Å; A771-A775 WeakPolarHBondContact O-CB 3.29Å; A771-A775 PolarHBondContact O-N 3.1Å; A771-L785 HydrophobicContact CB-CD2 3.92Å; A771-I788 HydrophobicContact CB-CD1 3.98Å; A771-L796 HydrophobicContact CB-CD2 3.97Å
772	Y	71.6	Confident	71.8	Confident	69 Å²	69	44.7 Å²	44.7	27%	0.271	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-41.6	173.2	-78.3	-58.7	0	0	0	112	P707 Q709 M712 L768 D769 E770 A775 G776	P707-Y772 WeakPolarHBondContact CB-O 3.36Å; Q709-Y772 HydrophobicContact CB-CD1 4.11Å; Q709-Y772 HydrophobicContact CB-CE1 3.86Å; Q709-Y772 HydrophobicContact CG-CD1 3.94Å; Q709-Y772 HydrophobicContact CG-CE1 3.84Å; M712-Y772 HydrophobicContact CB-CD1 4.04Å; M712-Y772 HydrophobicContact CB-CE1 4.1Å; M712-Y772 HydrophobicContact CG-CD1 4.35Å; M712-Y772 HydrophobicContact CG-CE1 4.33Å; M712-Y772 HydrophobicContact SD-CD1 3.31Å; M712-Y772 WeakPolarHBondContact SD-CD1 3.4Å; M712-Y772 HydrophobicContact SD-CD2 4.24Å; M712-Y772 HydrophobicContact SD-CE1 3.51Å; M712-Y772 VanDerWaalsContact SD-CE1 3.51Å; M712-Y772 HydrophobicContact SD-CE2 4.4Å; M712-Y772 HydrophobicContact SD-CG 3.7Å; L768-Y772 WeakPolarHBondContact O-CD2 3.43Å; L768-Y772 PolarHBondContact O-N 2.87Å; D769-Y772 PolarHBondContact O-N 3.15Å; E770-Y772 PolarHBondContact O-N 3.14Å; Y772-A775 PolarHBondContact O-N 3.27Å; Y772-G776 PolarHBondContact O-N 3.33Å
773	V	68.5	Low	73.8	Confident	13 Å²	13	38.7 Å²	38.7	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-47.9	171.9	169.5	0	0	0	0	110.7	P707 D769 E770 A775 G776 L841 F864	P707-V773 HydrophobicContact CB-CG2 4.33Å; P707-V773 HydrophobicContact CG-CB 4.49Å; P707-V773 HydrophobicContact CG-CG2 3.56Å; D769-V773 WeakPolarHBondContact O-CG2 3.45Å; D769-V773 PolarHBondContact O-N 2.92Å; D769-V773 VanDerWaalsContact O-N 3.14Å; E770-V773 WeakPolarHBondContact O-CB 3.38Å; E770-V773 PolarHBondContact O-N 3.09Å; V773-A775 VanDerWaalsContact C-N 3.32Å; V773-A775 PolarHBondContact O-N 3.06Å; V773-G776 PolarHBondContact O-N 3.15Å; V773-L841 HydrophobicContact CG1-CD1 3.69Å; V773-L841 HydrophobicContact CG1-CD2 3.58Å; V773-L841 HydrophobicContact CG1-CG 4.29Å; V773-L841 HydrophobicContact CG2-CD2 4.21Å; V773-F864 HydrophobicContact CG1-CD2 4.3Å; V773-F864 HydrophobicContact CG1-CE2 4.13Å
774	M	73.7	Confident	75.1	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-25.4	179.7	-64.7	-172.7	73.3	0	0	114.3	E770 A771 L785 L796 F864	E770-M774 HydrophobicContact CG-SD 4.39Å; E770-M774 WeakPolarHBondContact O-CG 3.29Å; E770-M774 PolarHBondContact O-N 3.17Å; A771-M774 PolarHBondContact O-N 2.8Å; M774-L785 HydrophobicContact CB-CB 3.85Å; M774-L785 PolarHBondContact O-N 2.86Å; M774-L796 HydrophobicContact SD-CD1 4.34Å; M774-F864 HydrophobicContact CB-CE2 4.19Å; M774-F864 HydrophobicContact CB-CZ 4.2Å; M774-F864 HydrophobicContact CE-CZ 4.44Å; M774-F864 HydrophobicContact CG-CD2 4.3Å; M774-F864 HydrophobicContact CG-CE2 3.64Å; M774-F864 HydrophobicContact CG-CZ 3.89Å
775	A	76.6	Confident	76.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-76.3	-34.1	178	0	0	0	0	0	112.9	Q711 M712 A771 Y772 V773 R784 L785	Q711-A775 HydrophobicContact CB-CB 4.29Å; Q711-A775 VanDerWaalsContact CB-O 3.31Å; Q711-A775 WeakPolarHBondContact CB-O 3.27Å; Q711-A775 PolarHBondContact OE1-O 2.7Å; Q711-A775 VanDerWaalsContact OE1-O 3.14Å; M712-A775 HydrophobicContact CB-CB 3.75Å; M712-A775 HydrophobicContact CG-CB 4.35Å; A771-A775 WeakPolarHBondContact O-CB 3.29Å; A771-A775 PolarHBondContact O-N 3.1Å; Y772-A775 PolarHBondContact O-N 3.27Å; V773-A775 VanDerWaalsContact C-N 3.32Å; V773-A775 PolarHBondContact O-N 3.06Å; A775-R784 PolarHBondContact O-NE 2.84Å; A775-L785 HydrophobicContact CB-CB 4.41Å; A775-L785 HydrophobicContact CB-CD2 4.48Å
776	G	73	Confident	77.4	Confident	21 Å²	21	32.6 Å²	32.6	22%	0.216	18%	0.179	C	C	.	.	S	Bend	trans	-83.8	-4.2	-174	0	0	0	0	0	116.5	Y772 V773	Y772-G776 PolarHBondContact O-N 3.33Å; V773-G776 PolarHBondContact O-N 3.15Å
777	V	77.3	Confident	78.5	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	16%	0.163	C	C	.	.			trans	-75.3	125.3	-179	-63	0	0	0	0	112.1	V782 R784 Y835 L836 L841 F864	V777-V782 HydrophobicContact CB-CG1 4.11Å; V777-V782 HydrophobicContact CG1-CG1 4.27Å; V777-V782 HydrophobicContact CG2-CB 4.49Å; V777-V782 HydrophobicContact CG2-CG1 3.89Å; V777-R784 HydrophobicContact CG2-CB 3.91Å; V777-R784 HydrophobicContact CG2-CG 4.1Å; V777-R784 VanDerWaalsContact O-CD 3.23Å; V777-R784 WeakPolarHBondContact O-CD 3.42Å; V777-R784 WeakPolarHBondContact O-CG 3.44Å; V777-Y835 HydrophobicContact CB-CE1 4.05Å; V777-Y835 HydrophobicContact CG1-CE1 4.23Å; V777-L836 HydrophobicContact CG1-CD2 4.37Å; V777-L841 HydrophobicContact CG1-CD1 4.23Å; V777-F864 HydrophobicContact CG1-CE2 4.07Å; V777-F864 HydrophobicContact CG1-CZ 4.01Å; V777-F864 HydrophobicContact CG2-CZ 4.01Å
778	G	79.4	Confident	79.5	Confident	58 Å²	58	27.9 Å²	27.9	60%	0.598	16%	0.156	S	C	*	.			trans	-109.9	-0	-175.6	0	0	0	0	0	115.9	Y835	G778-Y835 PolarHBondContact N-OH 3.44Å
779	S	86.6	Confident	80.3	Confident	15 Å²	15	25.1 Å²	25.1	11%	0.105	14%	0.142	C	C	.	.			trans	-78.5	135	-179.1	173.2	0	0	0	0	112.2	Y781 V782	S779-Y781 PolarHBondContact O-N 2.72Å; S779-Y781 VanDerWaalsContact O-N 3.07Å; S779-Y781 PolarHBondContact OG-N 3.21Å; S779-V782 PolarHBondContact O-N 3.17Å
780	P	90.5	Very high	81.1	Confident	68 Å²	68	25.9 Å²	25.9	44%	0.442	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-11.1	177.2	29.2	-36.2	0	0	0	113.3	H858 K860	P780-H858 PolarHBondContact O-CE1 2.94Å; P780-H858 PolarHBondContact O-NE2 3.49Å; P780-K860 VanDerWaalsContact O-CE 3.31Å; P780-K860 WeakPolarHBondContact O-CE 2.99Å; P780-K860 WeakPolarHBondContact O-CG 3.35Å
781	Y	94	Very high	81.6	Confident	59 Å²	59	26.4 Å²	26.4	23%	0.231	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	11.1	176.6	-50	-68.5	0	0	0	113.1	S779 Q828 K831 K860 I861	S779-Y781 PolarHBondContact O-N 2.72Å; S779-Y781 VanDerWaalsContact O-N 3.07Å; S779-Y781 PolarHBondContact OG-N 3.21Å; Y781-Q828 HydrophobicContact CD1-CB 3.78Å; Y781-Q828 HydrophobicContact CD1-CG 3.86Å; Y781-Q828 HydrophobicContact CE1-CB 4.04Å; Y781-Q828 HydrophobicContact CE1-CG 3.58Å; Y781-K831 HydrophobicContact CD2-CB 3.63Å; Y781-K831 HydrophobicContact CE2-CB 3.83Å; Y781-K831 HydrophobicContact CE2-CD 3.94Å; Y781-K831 HydrophobicContact CE2-CG 4.47Å; Y781-K831 HydrophobicContact CG-CB 4.34Å; Y781-K860 CarbonylContact O-C 3.56Å; Y781-K860 WeakPolarHBondContact O-CA 3.33Å; Y781-I861 PolarHBondContact O-N 2.72Å
782	V	90.7	Very high	81.6	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.018	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-127	142.3	175.5	-174.3	0	0	0	0	109.2	V777 S779 R784 Y835 L836 F864	V777-V782 HydrophobicContact CB-CG1 4.11Å; V777-V782 HydrophobicContact CG1-CG1 4.27Å; V777-V782 HydrophobicContact CG2-CB 4.49Å; V777-V782 HydrophobicContact CG2-CG1 3.89Å; S779-V782 PolarHBondContact O-N 3.17Å; V782-R784 PolarHBondContact O-N 3.35Å; V782-Y835 HydrophobicContact CG2-CD1 4.14Å; V782-L836 HydrophobicContact CG2-CG 4.38Å; V782-F864 HydrophobicContact CG1-CD1 4.2Å; V782-F864 HydrophobicContact CG1-CE1 3.52Å; V782-F864 HydrophobicContact CG1-CZ 3.92Å
783	S	88.5	Confident	81.7	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.007	18%	0.181	C	C	.	.			trans	-82.6	112.1	-179.2	-163.6	0	0	0	0	110.3	I861 F864	S783-I861 VanDerWaalsContact CB-O 3.24Å; S783-I861 WeakPolarHBondContact CB-O 3.01Å; S783-I861 PolarHBondContact N-O 2.86Å; S783-F864 WeakPolarHBondContact O-CE1 3.37Å
784	R	85	Confident	82.3	Confident	90 Å²	90	30.1 Å²	30.1	34%	0.34	19%	0.186	S	C	.	.			trans	-86.4	142.9	-179.9	-169.9	-177.5	174.2	-165	-15.3	111.6	Q711 A775 V777 V782 L786	Q711-R784 VanDerWaalsContact OE1-CZ 3.22Å; A775-R784 PolarHBondContact O-NE 2.84Å; V777-R784 HydrophobicContact CG2-CB 3.91Å; V777-R784 HydrophobicContact CG2-CG 4.1Å; V777-R784 VanDerWaalsContact O-CD 3.23Å; V777-R784 WeakPolarHBondContact O-CD 3.42Å; V777-R784 WeakPolarHBondContact O-CG 3.44Å; V782-R784 PolarHBondContact O-N 3.35Å; R784-L786 PolarHBondContact O-N 3.49Å
785	L	85.8	Confident	82.8	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.8	169.1	-167	72.5	0	0	0	110	A771 M774 A775 G787 L796 V797 T798	A771-L785 HydrophobicContact CB-CD2 3.92Å; M774-L785 HydrophobicContact CB-CB 3.85Å; M774-L785 PolarHBondContact O-N 2.86Å; A775-L785 HydrophobicContact CB-CB 4.41Å; A775-L785 HydrophobicContact CB-CD2 4.48Å; L785-G787 WeakPolarHBondContact CD1-O 3.19Å; L785-G787 WeakPolarHBondContact CG-O 3.27Å; L785-L796 HydrophobicContact CD1-CB 3.77Å; L785-L796 HydrophobicContact CD1-CD2 4.06Å; L785-L796 HydrophobicContact CD1-CG 4.45Å; L785-L796 HydrophobicContact CD2-CD2 4.27Å; L785-V797 WeakPolarHBondContact CD1-O 3.37Å; L785-T798 HydrophobicContact CD1-CG2 4.28Å
786	L	86.4	Confident	83.3	Confident	12 Å²	12	29.9 Å²	29.9	6%	0.063	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-33.3	173.2	-55.9	176.9	0	0	0	111.1	V750 R784 V797 T798 A1020 L1024	V750-L786 HydrophobicContact CG1-CD1 3.64Å; R784-L786 PolarHBondContact O-N 3.49Å; L786-V797 WeakPolarHBondContact CB-O 3.5Å; L786-V797 HydrophobicContact CD1-CG1 4.47Å; L786-V797 PolarHBondContact N-O 2.92Å; L786-T798 VanDerWaalsContact CD1-C 3.45Å; L786-A1020 HydrophobicContact CD1-CB 3.97Å; L786-A1020 HydrophobicContact CD2-CB 4.12Å; L786-L1024 HydrophobicContact CD2-CD1 3.46Å; L786-L1024 VanDerWaalsContact CD2-CD1 3.46Å
787	G	86	Confident	84	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	177.1	175.9	0	0	0	0	0	113.4	R713 L785 V797	R713-G787 CarbonylContact O-C 3.46Å; R713-G787 WeakPolarHBondContact O-CA 3.26Å; L785-G787 WeakPolarHBondContact CD1-O 3.19Å; L785-G787 WeakPolarHBondContact CG-O 3.27Å; G787-V797 PolarHBondContact N-O 3.15Å; G787-V797 WeakPolarHBondContact O-CB 3.5Å; G787-V797 PolarHBondContact O-N 3.33Å
788	I	86.5	Confident	84.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.5	177.5	-168.3	164.7	0	0	0	109.5	M712 R713 I714 L715 L768 A771 L790 V794 Q795 L796	M712-I788 HydrophobicContact CE-CB 4.19Å; M712-I788 HydrophobicContact CE-CD1 3.7Å; M712-I788 HydrophobicContact CE-CG2 3.69Å; M712-I788 HydrophobicContact CG-CG2 4.31Å; R713-I788 PolarHBondContact O-N 3.02Å; I714-I788 WeakPolarHBondContact CA-O 3.13Å; I714-I788 HydrophobicContact CG1-CG2 4.28Å; L715-I788 PolarHBondContact N-O 2.6Å; L768-I788 HydrophobicContact CD2-CD1 4Å; A771-I788 HydrophobicContact CB-CD1 3.98Å; I788-L790 HydrophobicContact CD1-CD2 3.75Å; I788-L790 HydrophobicContact CG1-CD2 3.91Å; I788-L790 HydrophobicContact CG1-CG 4.33Å; I788-L790 HydrophobicContact CG2-CG 4.41Å; I788-V794 HydrophobicContact CD1-CG1 3.7Å; I788-V794 HydrophobicContact CG1-CG1 3.9Å; I788-Q795 CarbonylContact C-O 3.58Å; I788-Q795 WeakPolarHBondContact CA-O 3.36Å; I788-L796 HydrophobicContact CD1-CD2 4.05Å; I788-L796 HydrophobicContact CG1-CD2 4.13Å
789	C	85.5	Confident	85	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.9	169	-164	0	0	0	0	109.2	L715 L720 Q795	L715-C789 PolarHBondContact O-SG 2.83Å; L720-C789 HydrophobicContact CD1-CB 3.59Å; C789-Q795 HydrophobicContact CB-CB 3.97Å; C789-Q795 HydrophobicContact CB-CG 4.11Å; C789-Q795 PolarHBondContact N-O 2.84Å; C789-Q795 PolarHBondContact O-N 3.44Å
790	L	80	Confident	85	Confident	88 Å²	88	27.5 Å²	27.5	46%	0.461	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	87.8	-177.1	-63.5	175.8	0	0	0	109.1	L768 I788 V794	L768-L790 HydrophobicContact CD2-CD2 4.4Å; I788-L790 HydrophobicContact CD1-CD2 3.75Å; I788-L790 HydrophobicContact CG1-CD2 3.91Å; I788-L790 HydrophobicContact CG1-CG 4.33Å; I788-L790 HydrophobicContact CG2-CG 4.41Å; L790-V794 HydrophobicContact CD2-CG1 4.34Å; L790-V794 HydrophobicContact CD2-CG2 4.18Å
791	T	75.5	Confident	84.9	Confident	43 Å²	43	24.7 Å²	24.7	26%	0.264	13%	0.133	S	C	.	.	S	Bend	trans	-113	-159	177.2	58.4	0	0	0	0	110	E717 T793 Q795	E717-T791 HydrophobicContact CB-CG2 3.93Å; E717-T791 HydrophobicContact CG-CG2 4.33Å; T791-T793 CarbonylContact C-O 3.58Å; T791-T793 PolarHBondContact N-O 2.71Å; T791-T793 PolarHBondContact O-N 3.16Å; T791-T793 PolarHBondContact OG1-O 2.95Å; T791-Q795 PolarHBondContact OG1-NE2 3.35Å
792	S	72.2	Confident	84.2	Confident	107 Å²	107	23.3 Å²	23.3	75%	0.748	13%	0.131	S	C	*	.	S	Bend	trans	-57	-32.2	168.2	55.3	0	0	0	0	112.4
793	T	73.8	Confident	83.9	Confident	26 Å²	26	24.4 Å²	24.4	16%	0.16	14%	0.135	C	C	.	.	S	Bend	trans	-107.9	146.5	165.1	43.5	0	0	0	0	110.4	V754 E757 T791	V754-T793 HydrophobicContact CG1-CG2 4.12Å; V754-T793 WeakPolarHBondContact CG1-OG1 3.25Å; E757-T793 HydrophobicContact CG-CG2 3.62Å; T791-T793 CarbonylContact C-O 3.58Å; T791-T793 PolarHBondContact N-O 2.71Å; T791-T793 PolarHBondContact O-N 3.16Å; T791-T793 PolarHBondContact OG1-O 2.95Å
794	V	80.6	Confident	83.8	Confident	27 Å²	27	24.9 Å²	24.9	16%	0.164	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.8	168	178.2	0	0	0	0	108.5	L755 I767 I788 L790	L755-V794 HydrophobicContact CD1-CB 4.12Å; L755-V794 HydrophobicContact CD1-CG1 4.03Å; L755-V794 PolarHBondContact N-O 3.44Å; I767-V794 HydrophobicContact CG2-CB 4.35Å; I767-V794 HydrophobicContact CG2-CG1 3.83Å; I767-V794 HydrophobicContact CG2-CG2 4.47Å; I788-V794 HydrophobicContact CD1-CG1 3.7Å; I788-V794 HydrophobicContact CG1-CG1 3.9Å; L790-V794 HydrophobicContact CD2-CG1 4.34Å; L790-V794 HydrophobicContact CD2-CG2 4.18Å
795	Q	85.7	Confident	84.1	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.4	-179.1	-29.4	-179.4	23.1	0	0	109.5	K722 I752 K753 V754 I788 C789 T791	K722-Q795 VanDerWaalsContact NZ-CD 3.29Å; K722-Q795 VanDerWaalsContact NZ-NE2 3.12Å; I752-Q795 HydrophobicContact CG2-CB 3.95Å; K753-Q795 WeakPolarHBondContact O-CA 3.46Å; V754-Q795 HydrophobicContact CG2-CB 4.32Å; V754-Q795 HydrophobicContact CG2-CG 4.2Å; I788-Q795 CarbonylContact C-O 3.58Å; I788-Q795 WeakPolarHBondContact CA-O 3.36Å; C789-Q795 HydrophobicContact CB-CB 3.97Å; C789-Q795 HydrophobicContact CB-CG 4.11Å; C789-Q795 PolarHBondContact N-O 2.84Å; C789-Q795 PolarHBondContact O-N 3.44Å; T791-Q795 PolarHBondContact OG1-NE2 3.35Å
796	L	86.2	Confident	84.5	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.3	177.1	-60.3	176.4	0	0	0	109.4	K753 L755 A771 M774 L785 I788	K753-L796 HydrophobicContact CB-CB 4.32Å; K753-L796 PolarHBondContact N-O 3.05Å; K753-L796 PolarHBondContact O-N 2.81Å; L755-L796 HydrophobicContact CD1-CD1 4.24Å; L755-L796 HydrophobicContact CD1-CG 4.36Å; L755-L796 HydrophobicContact CD2-CD1 4.36Å; A771-L796 HydrophobicContact CB-CD2 3.97Å; M774-L796 HydrophobicContact SD-CD1 4.34Å; L785-L796 HydrophobicContact CD1-CB 3.77Å; L785-L796 HydrophobicContact CD1-CD2 4.06Å; L785-L796 HydrophobicContact CD1-CG 4.45Å; L785-L796 HydrophobicContact CD2-CD2 4.27Å; I788-L796 HydrophobicContact CD1-CD2 4.05Å; I788-L796 HydrophobicContact CG1-CD2 4.13Å
797	V	88.9	Confident	84.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.8	-173.9	-173.2	0	0	0	0	110.7	L715 L720 V750 A751 I752 L785 L786 G787	L715-V797 HydrophobicContact CD1-CB 4.07Å; L715-V797 HydrophobicContact CD1-CG1 4.25Å; L715-V797 HydrophobicContact CD1-CG2 3.99Å; L720-V797 HydrophobicContact CD1-CG2 3.86Å; L720-V797 HydrophobicContact CD2-CG1 4.29Å; L720-V797 HydrophobicContact CD2-CG2 4.14Å; V750-V797 HydrophobicContact CB-CG1 3.73Å; V750-V797 HydrophobicContact CG1-CG1 3.91Å; V750-V797 HydrophobicContact CG2-CG1 3.99Å; A751-V797 WeakPolarHBondContact O-CA 3.39Å; I752-V797 HydrophobicContact CG1-CG1 4.5Å; I752-V797 HydrophobicContact CG1-CG2 4.38Å; I752-V797 HydrophobicContact CG2-CG2 4.44Å; L785-V797 WeakPolarHBondContact CD1-O 3.37Å; L786-V797 WeakPolarHBondContact CB-O 3.5Å; L786-V797 HydrophobicContact CD1-CG1 4.47Å; L786-V797 PolarHBondContact N-O 2.92Å; G787-V797 PolarHBondContact N-O 3.15Å; G787-V797 WeakPolarHBondContact O-CB 3.5Å; G787-V797 PolarHBondContact O-N 3.33Å
798	T	88.9	Confident	85.1	Confident	18 Å²	18	24.6 Å²	24.6	11%	0.11	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167.1	179	55.4	0	0	0	0	111.5	V750 A751 L785 L786	V750-T798 CarbonylContact C-O 3.57Å; V750-T798 WeakPolarHBondContact CA-O 3.26Å; V750-T798 WeakPolarHBondContact CB-O 3.24Å; A751-T798 PolarHBondContact N-O 2.9Å; A751-T798 PolarHBondContact O-N 3.28Å; L785-T798 HydrophobicContact CD1-CG2 4.28Å; L786-T798 VanDerWaalsContact CD1-C 3.45Å
799	Q	87.8	Confident	85.3	Confident	9 Å²	9	25 Å²	25	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	134	173.1	174.4	179.3	41	0	0	110.4	M801 K854 D1019 A1020 E1021	Q799-M801 HydrophobicContact CB-CE 3.81Å; Q799-M801 HydrophobicContact CG-CE 3.94Å; Q799-M801 HydrophobicContact CG-SD 4.37Å; Q799-M801 PolarHBondContact O-N 3.38Å; Q799-K854 VanDerWaalsContact NE2-CE 3.3Å; Q799-D1019 PolarHBondContact NE2-OD1 3.22Å; Q799-D1019 VanDerWaalsContact NE2-OD1 3.16Å; Q799-D1019 PolarHBondContact NE2-OD2 2.79Å; Q799-A1020 HydrophobicContact CB-CB 3.92Å; Q799-A1020 HydrophobicContact CG-CB 3.9Å; Q799-E1021 PolarHBondContact NE2-OE2 2.9Å; Q799-E1021 PolarHBondContact OE1-OE2 2.74Å
800	L	87.2	Confident	85.6	Confident	19 Å²	19	24.9 Å²	24.9	10%	0.099	15%	0.148	C	C	.	.			trans	-68.8	116	175.7	-177	65.7	0	0	0	110.3	L726 K736 P749 A751 P802 L1008	L726-L800 HydrophobicContact CD1-CD1 3.62Å; K736-L800 HydrophobicContact CG-CD2 4.19Å; P749-L800 HydrophobicContact CB-CB 4.25Å; P749-L800 HydrophobicContact CB-CD2 4.09Å; P749-L800 WeakPolarHBondContact O-CB 3.46Å; P749-L800 PolarHBondContact O-N 3.23Å; A751-L800 HydrophobicContact CB-CD1 4.36Å; L800-P802 WeakPolarHBondContact O-CD 3.41Å; L800-L1008 HydrophobicContact CD2-CD1 4.45Å; L800-L1008 HydrophobicContact CD2-CD2 4.42Å
801	M	87.6	Confident	86.1	Confident	10 Å²	10	24.9 Å²	24.9	5%	0.049	14%	0.142	C	C	.	.			trans	-90.6	109.2	176.7	-57.6	-60.9	167.4	0	0	109.4	Q799 Y803 G804 L852 K854 K860	Q799-M801 HydrophobicContact CB-CE 3.81Å; Q799-M801 HydrophobicContact CG-CE 3.94Å; Q799-M801 HydrophobicContact CG-SD 4.37Å; Q799-M801 PolarHBondContact O-N 3.38Å; M801-Y803 VanDerWaalsContact C-N 3.32Å; M801-Y803 PolarHBondContact O-N 2.03Å; M801-G804 PolarHBondContact O-N 3.5Å; M801-L852 HydrophobicContact CB-CB 3.8Å; M801-L852 HydrophobicContact CB-CD1 4.17Å; M801-L852 HydrophobicContact CG-CB 3.63Å; M801-L852 HydrophobicContact CG-CD1 3.63Å; M801-L852 HydrophobicContact CG-CG 4.26Å; M801-K854 HydrophobicContact SD-CB 3.93Å; M801-K854 HydrophobicContact SD-CG 4.2Å; M801-K860 HydrophobicContact CE-CD 3.74Å; M801-K860 HydrophobicContact SD-CD 4.43Å
802	P	80.1	Confident	86.7	Confident	30 Å²	30	26.6 Å²	26.6	20%	0.195	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.4	-158.9	34	-37.1	0	0	0	114.4	L800 F1004 Y1005 L1008	L800-P802 WeakPolarHBondContact O-CD 3.41Å; P802-F1004 WeakPolarHBondContact O-CD1 3.33Å; P802-Y1005 HydrophobicContact CB-CD2 3.85Å; P802-Y1005 HydrophobicContact CB-CE2 3.91Å; P802-Y1005 HydrophobicContact CG-CD2 4.49Å; P802-Y1005 HydrophobicContact CG-CE2 4.3Å; P802-Y1005 WeakPolarHBondContact O-CD2 3.29Å; P802-L1008 HydrophobicContact CB-CD1 3.99Å
803	Y	84	Confident	87.4	Confident	25 Å²	25	22 Å²	22	10%	0.098	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	10.3	176.3	-63.9	-90.8	0	0	0	113.4	M801 V853 K854 P856 P999 Y1005	M801-Y803 VanDerWaalsContact C-N 3.32Å; M801-Y803 PolarHBondContact O-N 2.03Å; Y803-V853 HydrophobicContact CD2-CG1 4.4Å; Y803-V853 HydrophobicContact CG-CG1 4.18Å; Y803-V853 PolarHBondContact N-O 3.25Å; Y803-K854 WeakPolarHBondContact CD2-O 3.02Å; Y803-P856 HydrophobicContact CE1-CG 4.49Å; Y803-P999 WeakPolarHBondContact OH-CB 3.35Å; Y803-Y1005 HydrophobicContact CE1-CD2 4.23Å; Y803-Y1005 HydrophobicContact CE2-CD2 4.38Å; Y803-Y1005 HydrophobicContact CE2-CE2 4.36Å
804	G	87.1	Confident	87.8	Confident	12 Å²	12	28.5 Å²	28.5	12%	0.124	14%	0.136	C	C	.	.			trans	76.3	-154.4	175.4	0	0	0	0	0	114.1	M801 L852 V853	M801-G804 PolarHBondContact O-N 3.5Å; G804-L852 WeakPolarHBondContact O-CA 3.29Å; G804-V853 PolarHBondContact O-N 2.9Å
805	C	90.4	Very high	87.8	Confident	20 Å²	20	29.8 Å²	29.8	14%	0.135	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-85.7	152.1	174.9	93.1	0	0	0	0	111.6	L807 D808 H809 R849 V851 L852	C805-L807 VanDerWaalsContact C-N 3.33Å; C805-L807 PolarHBondContact O-N 2.9Å; C805-D808 PolarHBondContact O-N 2.8Å; C805-D808 PolarHBondContact SG-OD2 2.89Å; C805-H809 WeakPolarHBondContact O-CB 3.42Å; C805-H809 PolarHBondContact O-N 2.77Å; C805-R849 WeakPolarHBondContact CB-O 3.15Å; C805-V851 CarbonylContact C-O 3.5Å; C805-V851 WeakPolarHBondContact CA-O 3.4Å; C805-L852 HydrophobicContact CB-CD2 4.14Å
806	L	94.3	Very high	87.5	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.1	-34.4	-174.3	-176.5	58.5	0	0	0	112	D808 H809 V810 W825 I829 V851 V853 V859 L915	L806-D808 VanDerWaalsContact C-N 3.33Å; L806-D808 PolarHBondContact O-N 2.03Å; L806-H809 PolarHBondContact O-N 3.27Å; L806-V810 HydrophobicContact CD1-CG1 4.05Å; L806-V810 HydrophobicContact CG-CG1 4.43Å; L806-V810 WeakPolarHBondContact O-CG1 3.38Å; L806-V810 WeakPolarHBondContact O-CG2 3.24Å; L806-V810 PolarHBondContact O-N 2.93Å; L806-W825 HydrophobicContact CD1-CD2 3.83Å; L806-W825 HydrophobicContact CD1-CE3 3.75Å; L806-W825 HydrophobicContact CD1-CG 4.41Å; L806-W825 HydrophobicContact CD1-CH2 4.14Å; L806-W825 HydrophobicContact CD1-CZ2 4.23Å; L806-W825 HydrophobicContact CD1-CZ3 3.93Å; L806-W825 HydrophobicContact CD2-CB 4.25Å; L806-W825 HydrophobicContact CD2-CG 4.45Å; L806-I829 HydrophobicContact CD2-CD1 4.03Å; L806-V851 HydrophobicContact CB-CB 4.03Å; L806-V851 HydrophobicContact CB-CG1 4.08Å; L806-V851 WeakPolarHBondContact CB-O 3.02Å; L806-V851 HydrophobicContact CD2-CB 4.18Å; L806-V851 HydrophobicContact CD2-CG1 3.74Å; L806-V851 PolarHBondContact N-O 3.34Å; L806-V853 HydrophobicContact CB-CG2 4.03Å; L806-V853 HydrophobicContact CD1-CG2 3.81Å; L806-V859 HydrophobicContact CD1-CG1 4.25Å; L806-V859 HydrophobicContact CD2-CG1 4.24Å; L806-L915 HydrophobicContact CD1-CD2 4.37Å; L806-L915 HydrophobicContact CD2-CD1 4.3Å; L806-L915 HydrophobicContact CD2-CD2 3.56Å; L806-L915 HydrophobicContact CG-CD2 3.67Å
807	L	93.6	Very high	87.5	Confident	17 Å²	17	35 Å²	35	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-57.3	-43.3	175.1	178.8	62.4	0	0	0	112.7	C805 V810 R811 A848 R849 G919	C805-L807 VanDerWaalsContact C-N 3.33Å; C805-L807 PolarHBondContact O-N 2.9Å; L807-V810 VanDerWaalsContact O-CG2 3.31Å; L807-V810 WeakPolarHBondContact O-CG2 3.35Å; L807-R811 WeakPolarHBondContact O-CD 3.42Å; L807-R811 VanDerWaalsContact O-CG 3.29Å; L807-R811 WeakPolarHBondContact O-CG 3.3Å; L807-R811 PolarHBondContact O-N 2.75Å; L807-A848 HydrophobicContact CB-CB 3.85Å; L807-A848 HydrophobicContact CD1-CB 4.19Å; L807-A848 PolarHBondContact N-O 3Å; L807-R849 HydrophobicContact CD2-CB 4.18Å; L807-G919 VanDerWaalsContact CD1-CA 3.46Å
808	D	90.6	Very high	87.3	Confident	60 Å²	60	35.6 Å²	35.6	32%	0.321	18%	0.182	S	C	.	.	H	α-helix	trans	-79.7	-35	178.6	-58.2	-39.1	0	0	0	110.8	C805 L806 V810 R811 E812	C805-D808 PolarHBondContact O-N 2.8Å; C805-D808 PolarHBondContact SG-OD2 2.89Å; L806-D808 VanDerWaalsContact C-N 3.33Å; L806-D808 PolarHBondContact O-N 2.03Å; D808-V810 PolarHBondContact O-N 3.19Å; D808-R811 WeakPolarHBondContact O-CB 3.49Å; D808-R811 PolarHBondContact O-N 3.3Å; D808-R811 VanDerWaalsContact O-N 3.13Å; D808-R811 IonicContact OD1-NH1 3.87Å; D808-R811 PolarHBondContact OD1-NH1 3.33Å; D808-E812 PolarHBondContact O-N 3.5Å
809	H	90.5	Very high	87.4	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-42.7	174.4	-166.8	77.9	0	0	0	112.8	C805 L806 R811 N813 W825 V853	C805-H809 WeakPolarHBondContact O-CB 3.42Å; C805-H809 PolarHBondContact O-N 2.77Å; L806-H809 PolarHBondContact O-N 3.27Å; H809-R811 VanDerWaalsContact C-N 3.34Å; H809-N813 WeakPolarHBondContact O-CB 3.42Å; H809-N813 PolarHBondContact O-N 3.08Å; H809-N813 PolarHBondContact O-ND2 3.17Å; H809-W825 AromaticContact CD2-CH2 3.81Å; H809-W825 AromaticContact CD2-CZ2 4Å; H809-V853 HydrophobicContact CB-CG2 3.99Å
810	V	91.9	Very high	87.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-71.1	-26.9	176.5	-60.2	0	0	0	0	113.5	L806 L807 D808 R814 L817 W825 L915	L806-V810 HydrophobicContact CD1-CG1 4.05Å; L806-V810 HydrophobicContact CG-CG1 4.43Å; L806-V810 WeakPolarHBondContact O-CG1 3.38Å; L806-V810 WeakPolarHBondContact O-CG2 3.24Å; L806-V810 PolarHBondContact O-N 2.93Å; L807-V810 VanDerWaalsContact O-CG2 3.31Å; L807-V810 WeakPolarHBondContact O-CG2 3.35Å; D808-V810 PolarHBondContact O-N 3.19Å; V810-R814 WeakPolarHBondContact O-CA 3.49Å; V810-R814 WeakPolarHBondContact O-CB 3.47Å; V810-R814 PolarHBondContact O-N 2.81Å; V810-L817 HydrophobicContact CB-CD1 4.18Å; V810-L817 HydrophobicContact CG1-CD1 4.07Å; V810-W825 HydrophobicContact CG1-CE3 4.29Å; V810-W825 HydrophobicContact CG1-CH2 4.33Å; V810-W825 HydrophobicContact CG1-CZ3 3.61Å; V810-L915 HydrophobicContact CG1-CD2 3.96Å
811	R	91.7	Very high	87.8	Confident	88 Å²	88	38.9 Å²	38.9	33%	0.332	20%	0.197	S	C	.	.	H	α-helix	trans	-74	-48.3	173.8	-71.1	166.8	175	164.1	-2.3	111.6	L807 D808 H809 N813 F918 G919	L807-R811 WeakPolarHBondContact O-CD 3.42Å; L807-R811 VanDerWaalsContact O-CG 3.29Å; L807-R811 WeakPolarHBondContact O-CG 3.3Å; L807-R811 PolarHBondContact O-N 2.75Å; D808-R811 WeakPolarHBondContact O-CB 3.49Å; D808-R811 PolarHBondContact O-N 3.3Å; D808-R811 VanDerWaalsContact O-N 3.13Å; D808-R811 IonicContact OD1-NH1 3.87Å; D808-R811 PolarHBondContact OD1-NH1 3.33Å; H809-R811 VanDerWaalsContact C-N 3.34Å; R811-N813 VanDerWaalsContact C-N 3.34Å; R811-N813 PolarHBondContact O-N 3.04Å; R811-F918 WeakPolarHBondContact CG-O 3.39Å; R811-G919 PolarHBondContact NE-O 2.94Å; R811-G919 PolarHBondContact NH2-O 3.21Å
812	E	88.1	Confident	88.1	Confident	79 Å²	79	38.4 Å²	38.4	37%	0.369	20%	0.195	S	C	.	.	H	α-helix	trans	-59	-43.8	176.2	-74.7	-161.6	144	0	0	111.5	D808 S1002 T1003	D808-E812 PolarHBondContact O-N 3.5Å; E812-S1002 WeakPolarHBondContact OE2-CA 3.37Å; E812-S1002 WeakPolarHBondContact OE2-CB 3.4Å; E812-S1002 PolarHBondContact OE2-OG 2.93Å; E812-T1003 VanDerWaalsContact OE1-CB 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CB 3.39Å; E812-T1003 VanDerWaalsContact OE1-CG2 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CG2 3.42Å; E812-T1003 PolarHBondContact OE1-N 3.41Å; E812-T1003 PolarHBondContact OE1-OG1 3.29Å
813	N	85.7	Confident	88.8	Confident	12 Å²	12	37 Å²	37	6%	0.064	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	7.6	-167.8	-63.5	-83.9	0	0	0	114.5	H809 R811 G815 R816 L817	H809-N813 WeakPolarHBondContact O-CB 3.42Å; H809-N813 PolarHBondContact O-N 3.08Å; H809-N813 PolarHBondContact O-ND2 3.17Å; R811-N813 VanDerWaalsContact C-N 3.34Å; R811-N813 PolarHBondContact O-N 3.04Å; N813-G815 PolarHBondContact O-N 3.11Å; N813-R816 PolarHBondContact O-N 3.25Å; N813-L817 HydrophobicContact CB-CD1 4.13Å; N813-L817 HydrophobicContact CB-CD2 4.15Å; N813-L817 HydrophobicContact CB-CG 4Å
814	R	83.8	Confident	89.3	Confident	161 Å²	161	37.9 Å²	37.9	61%	0.608	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-35.6	-174.6	177.4	170.7	-177.2	-159.1	-2.1	115.8	V810 R816 F918	V810-R814 WeakPolarHBondContact O-CA 3.49Å; V810-R814 WeakPolarHBondContact O-CB 3.47Å; V810-R814 PolarHBondContact O-N 2.81Å; R814-R816 VanDerWaalsContact C-N 3.32Å; R814-R816 PolarHBondContact O-N 3.49Å; R814-F918 HydrophobicContact CB-CB 4.28Å; R814-F918 HydrophobicContact CB-CD1 4.09Å; R814-F918 HydrophobicContact CB-CG 4.29Å; R814-F918 HydrophobicContact CG-CB 3.88Å; R814-F918 HydrophobicContact CG-CD1 3.73Å; R814-F918 HydrophobicContact CG-CD2 4.08Å; R814-F918 HydrophobicContact CG-CE1 4.24Å; R814-F918 HydrophobicContact CG-CG 3.63Å
815	G	79.5	Confident	89.7	Confident	54 Å²	54	37.4 Å²	37.4	56%	0.557	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	6.4	179.1	0	0	0	0	0	116.2	N813	N813-G815 PolarHBondContact O-N 3.11Å
816	R	80.6	Confident	90.1	Very high	97 Å²	97	36.4 Å²	36.4	37%	0.366	18%	0.18	S	C	.	.	S	Bend	trans	-138.2	2.3	-173	-64	177.1	171.2	-169.7	-6.2	114.4	N813 R814 D1001	N813-R816 PolarHBondContact O-N 3.25Å; R814-R816 VanDerWaalsContact C-N 3.32Å; R814-R816 PolarHBondContact O-N 3.49Å; R816-D1001 IonicContact CZ-OD2 3.45Å; R816-D1001 IonicContact NH1-OD2 3.72Å; R816-D1001 PolarHBondContact NH1-OD2 2.94Å; R816-D1001 IonicContact NH2-OD2 2.68Å; R816-D1001 PolarHBondContact NH2-OD2 3.08Å
817	L	85.4	Confident	90.2	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.079	19%	0.186	C	C	.	.			trans	-97.5	126.3	-177.2	-64.1	176.3	0	0	0	110	V810 N813 D821 W825 F918 I989	V810-L817 HydrophobicContact CB-CD1 4.18Å; V810-L817 HydrophobicContact CG1-CD1 4.07Å; N813-L817 HydrophobicContact CB-CD1 4.13Å; N813-L817 HydrophobicContact CB-CD2 4.15Å; N813-L817 HydrophobicContact CB-CG 4Å; L817-D821 HydrophobicContact CD2-CB 4.48Å; L817-W825 HydrophobicContact CD1-CH2 3.84Å; L817-W825 HydrophobicContact CD1-CZ3 3.91Å; L817-W825 HydrophobicContact CD2-CH2 3.57Å; L817-W825 HydrophobicContact CD2-CZ2 4.39Å; L817-W825 HydrophobicContact CD2-CZ3 4.31Å; L817-W825 HydrophobicContact CG-CH2 4.3Å; L817-F918 HydrophobicContact CB-CE1 4.42Å; L817-I989 VanDerWaalsContact O-CD1 3.29Å; L817-I989 WeakPolarHBondContact O-CD1 3.47Å
818	G	85.8	Confident	90.4	Very high	14 Å²	14	37.5 Å²	37.5	14%	0.144	19%	0.185	C	C	.	.			trans	-87.5	166.9	177.9	0	0	0	0	0	112.9	Q820 D821 L822	G818-Q820 PolarHBondContact O-N 3.27Å; G818-D821 PolarHBondContact N-OD2 3.3Å; G818-D821 PolarHBondContact O-N 3.17Å; G818-D821 VanDerWaalsContact O-N 3.11Å; G818-L822 PolarHBondContact O-N 3.03Å
819	S	90.6	Very high	90.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-53.4	-36.6	172.1	55.6	0	0	0	0	112.1	L823 P983 V987 E992	S819-L823 WeakPolarHBondContact O-CG 3.5Å; S819-L823 PolarHBondContact O-N 3.45Å; S819-P983 WeakPolarHBondContact OG-CB 3.35Å; S819-V987 VanDerWaalsContact CB-O 3.23Å; S819-V987 WeakPolarHBondContact CB-O 3.47Å; S819-E992 WeakPolarHBondContact CB-OE1 3.32Å; S819-E992 PolarHBondContact N-OE1 2.86Å; S819-E992 PolarHBondContact OG-OE1 2.86Å
820	Q	90.2	Very high	91.1	Very high	71 Å²	71	34.3 Å²	34.3	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-62.5	-39	178.1	-174.3	65.2	90.9	0	0	113.2	G818 N824 A980 P983	G818-Q820 PolarHBondContact O-N 3.27Å; Q820-N824 PolarHBondContact NE2-ND2 2.62Å; Q820-N824 PolarHBondContact NE2-OD1 3.49Å; Q820-N824 WeakPolarHBondContact O-CB 3.37Å; Q820-N824 PolarHBondContact O-N 3.43Å; Q820-N824 PolarHBondContact O-ND2 3.28Å; Q820-N824 VanDerWaalsContact O-ND2 3.09Å; Q820-A980 PolarHBondContact NE2-O 2.68Å; Q820-A980 PolarHBondContact OE1-O 3.45Å; Q820-P983 HydrophobicContact CB-CB 4.33Å; Q820-P983 HydrophobicContact CB-CG 3.99Å
821	D	91.6	Very high	91.3	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-50	-176.3	-57.4	-46.1	0	0	0	110.5	L817 G818 L823 N824 W825	L817-D821 HydrophobicContact CD2-CB 4.48Å; G818-D821 PolarHBondContact N-OD2 3.3Å; G818-D821 PolarHBondContact O-N 3.17Å; G818-D821 VanDerWaalsContact O-N 3.11Å; D821-L823 PolarHBondContact O-N 3.22Å; D821-N824 PolarHBondContact O-N 3.22Å; D821-W825 HydrophobicContact CB-CH2 4.29Å; D821-W825 HydrophobicContact CB-CZ2 4.34Å; D821-W825 HydrophobicContact CB-CZ3 4.41Å; D821-W825 PolarHBondContact O-N 2.81Å
822	L	94.3	Very high	91.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-49.2	178.5	-62.2	177.5	0	0	0	111.4	G818 N824 W825 C826 L915 M916 F918 I946 V987 I989	G818-L822 PolarHBondContact O-N 3.03Å; L822-N824 PolarHBondContact O-N 3.25Å; L822-W825 HydrophobicContact CD2-CE3 4.1Å; L822-W825 HydrophobicContact CD2-CZ3 3.95Å; L822-W825 PolarHBondContact O-N 3.23Å; L822-C826 PolarHBondContact O-N 2.99Å; L822-C826 PolarHBondContact O-SG 2.99Å; L822-L915 HydrophobicContact CD2-CB 4.44Å; L822-M916 HydrophobicContact CB-CE 4.09Å; L822-M916 HydrophobicContact CB-SD 4.23Å; L822-M916 HydrophobicContact CD1-SD 4.08Å; L822-F918 HydrophobicContact CD1-CE1 4.29Å; L822-F918 HydrophobicContact CD1-CZ 4.34Å; L822-I946 HydrophobicContact CD1-CD1 3.7Å; L822-V987 HydrophobicContact CD1-CG1 4.27Å; L822-I989 HydrophobicContact CD1-CD1 4Å
823	L	94.9	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.9	-32.8	179.6	-70.1	169.1	0	0	0	112.6	S819 D821 M827 M916 F976 M979 A980 P983 F986 V987	S819-L823 WeakPolarHBondContact O-CG 3.5Å; S819-L823 PolarHBondContact O-N 3.45Å; D821-L823 PolarHBondContact O-N 3.22Å; L823-M827 WeakPolarHBondContact O-CB 3.43Å; L823-M827 PolarHBondContact O-N 3.28Å; L823-M916 HydrophobicContact CD2-CE 3.87Å; L823-M916 HydrophobicContact CG-CE 4.36Å; L823-F976 HydrophobicContact CD2-CD1 3.81Å; L823-F976 HydrophobicContact CD2-CE1 3.93Å; L823-M979 HydrophobicContact CD1-CB 4.29Å; L823-M979 HydrophobicContact CD2-CB 4.15Å; L823-A980 HydrophobicContact CB-CB 4.18Å; L823-P983 HydrophobicContact CD1-CB 3.64Å; L823-F986 HydrophobicContact CD1-CB 4.28Å; L823-V987 HydrophobicContact CD1-CB 4.49Å; L823-V987 HydrophobicContact CD1-CG2 3.99Å; L823-V987 HydrophobicContact CD2-CG2 4.09Å; L823-V987 HydrophobicContact CG-CG2 4Å
824	N	94.4	Very high	92.4	Very high	44 Å²	44	29.5 Å²	29.5	24%	0.235	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-43	172.2	-84.2	-29.7	0	0	0	111.9	Q820 D821 L822 M827 Q828	Q820-N824 PolarHBondContact NE2-ND2 2.62Å; Q820-N824 PolarHBondContact NE2-OD1 3.49Å; Q820-N824 WeakPolarHBondContact O-CB 3.37Å; Q820-N824 PolarHBondContact O-N 3.43Å; Q820-N824 PolarHBondContact O-ND2 3.28Å; Q820-N824 VanDerWaalsContact O-ND2 3.09Å; D821-N824 PolarHBondContact O-N 3.22Å; L822-N824 PolarHBondContact O-N 3.25Å; N824-M827 PolarHBondContact O-N 3.23Å; N824-M827 WeakPolarHBondContact OD1-CE 3.1Å; N824-Q828 WeakPolarHBondContact O-CB 3.33Å; N824-Q828 VanDerWaalsContact O-CG 3.26Å; N824-Q828 WeakPolarHBondContact O-CG 3.44Å; N824-Q828 PolarHBondContact O-N 3.2Å
825	W	96.7	Very high	92.9	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-41.1	176.5	-60.6	-31.8	0	0	0	112.2	L806 H809 V810 L817 D821 L822 M827 Q828 I829 P856 V859 L915	L806-W825 HydrophobicContact CD1-CD2 3.83Å; L806-W825 HydrophobicContact CD1-CE3 3.75Å; L806-W825 HydrophobicContact CD1-CG 4.41Å; L806-W825 HydrophobicContact CD1-CH2 4.14Å; L806-W825 HydrophobicContact CD1-CZ2 4.23Å; L806-W825 HydrophobicContact CD1-CZ3 3.93Å; L806-W825 HydrophobicContact CD2-CB 4.25Å; L806-W825 HydrophobicContact CD2-CG 4.45Å; H809-W825 AromaticContact CD2-CH2 3.81Å; H809-W825 AromaticContact CD2-CZ2 4Å; V810-W825 HydrophobicContact CG1-CE3 4.29Å; V810-W825 HydrophobicContact CG1-CH2 4.33Å; V810-W825 HydrophobicContact CG1-CZ3 3.61Å; L817-W825 HydrophobicContact CD1-CH2 3.84Å; L817-W825 HydrophobicContact CD1-CZ3 3.91Å; L817-W825 HydrophobicContact CD2-CH2 3.57Å; L817-W825 HydrophobicContact CD2-CZ2 4.39Å; L817-W825 HydrophobicContact CD2-CZ3 4.31Å; L817-W825 HydrophobicContact CG-CH2 4.3Å; D821-W825 HydrophobicContact CB-CH2 4.29Å; D821-W825 HydrophobicContact CB-CZ2 4.34Å; D821-W825 HydrophobicContact CB-CZ3 4.41Å; D821-W825 PolarHBondContact O-N 2.81Å; L822-W825 HydrophobicContact CD2-CE3 4.1Å; L822-W825 HydrophobicContact CD2-CZ3 3.95Å; L822-W825 PolarHBondContact O-N 3.23Å; W825-M827 VanDerWaalsContact C-N 3.34Å; W825-M827 PolarHBondContact O-N 2.89Å; W825-Q828 PolarHBondContact O-N 3.44Å; W825-Q828 VanDerWaalsContact O-N 3.14Å; W825-I829 VanDerWaalsContact O-CG1 3.26Å; W825-I829 WeakPolarHBondContact O-CG1 3.43Å; W825-I829 PolarHBondContact O-N 3.21Å; W825-P856 PolarHBondContact NE1-O 3.26Å; W825-V859 HydrophobicContact CB-CG2 4.36Å; W825-V859 VanDerWaalsContact CD1-CG1 3.46Å; W825-V859 HydrophobicContact CG-CG1 4.02Å; W825-V859 HydrophobicContact CG-CG2 4.46Å; W825-L915 HydrophobicContact CB-CD1 4.33Å
826	C	97.4	Very high	93.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.4	-48.2	171.5	-65.6	0	0	0	0	111.5	L822 Q828 I829 A830 Y908 V912 F976	L822-C826 PolarHBondContact O-N 2.99Å; L822-C826 PolarHBondContact O-SG 2.99Å; C826-Q828 PolarHBondContact O-N 2.87Å; C826-I829 PolarHBondContact O-N 3.14Å; C826-A830 WeakPolarHBondContact O-CB 3.48Å; C826-A830 PolarHBondContact O-N 2.84Å; C826-Y908 PolarHBondContact O-OH 2.91Å; C826-V912 HydrophobicContact CB-CG2 4.49Å; C826-F976 HydrophobicContact CB-CD1 3.44Å; C826-F976 VanDerWaalsContact CB-CD1 3.44Å; C826-F976 HydrophobicContact CB-CD2 4.45Å; C826-F976 HydrophobicContact CB-CE1 3.63Å; C826-F976 HydrophobicContact CB-CG 3.9Å; C826-F976 HydrophobicContact CB-CZ 4.23Å
827	M	96.9	Very high	93.8	Very high	26 Å²	26	18.3 Å²	18.3	13%	0.128	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-42.3	174.7	175.3	-171.6	55.2	0	0	112.6	L823 N824 W825 A830 K831 F976 S977	L823-M827 WeakPolarHBondContact O-CB 3.43Å; L823-M827 PolarHBondContact O-N 3.28Å; N824-M827 PolarHBondContact O-N 3.23Å; N824-M827 WeakPolarHBondContact OD1-CE 3.1Å; W825-M827 VanDerWaalsContact C-N 3.34Å; W825-M827 PolarHBondContact O-N 2.89Å; M827-A830 PolarHBondContact O-N 3.27Å; M827-K831 HydrophobicContact CG-CD 4.09Å; M827-K831 VanDerWaalsContact O-CG 3.31Å; M827-K831 WeakPolarHBondContact O-CG 3.49Å; M827-K831 PolarHBondContact O-N 3.3Å; M827-K831 PolarHBondContact SD-NZ 3.46Å; M827-F976 HydrophobicContact CB-CB 4.02Å; M827-S977 PolarHBondContact SD-OG 2.92Å; M827-S977 VanDerWaalsContact SD-OG 3.39Å
828	Q	97.3	Very high	93.9	Very high	14 Å²	14	21.6 Å²	21.6	7%	0.065	11%	0.109	C	C	.	.	H	α-helix	trans	-69.7	-41.1	-178.9	-72.8	179.6	37.5	0	0	112.2	Y781 N824 W825 C826 K831 G832 N857 V859	Y781-Q828 HydrophobicContact CD1-CB 3.78Å; Y781-Q828 HydrophobicContact CD1-CG 3.86Å; Y781-Q828 HydrophobicContact CE1-CB 4.04Å; Y781-Q828 HydrophobicContact CE1-CG 3.58Å; N824-Q828 WeakPolarHBondContact O-CB 3.33Å; N824-Q828 VanDerWaalsContact O-CG 3.26Å; N824-Q828 WeakPolarHBondContact O-CG 3.44Å; N824-Q828 PolarHBondContact O-N 3.2Å; W825-Q828 PolarHBondContact O-N 3.44Å; W825-Q828 VanDerWaalsContact O-N 3.14Å; C826-Q828 PolarHBondContact O-N 2.87Å; Q828-K831 PolarHBondContact O-N 3.02Å; Q828-G832 PolarHBondContact O-N 3.06Å; Q828-N857 PolarHBondContact NE2-O 2.94Å; Q828-V859 HydrophobicContact CB-CG2 3.68Å
829	I	97.8	Very high	93.6	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.7	-43.5	173.6	-62.9	162.2	0	0	0	109.7	L806 W825 C826 K831 G832 M833 L846 V851 V859 I861 Y908 T911 L915	L806-I829 HydrophobicContact CD2-CD1 4.03Å; W825-I829 VanDerWaalsContact O-CG1 3.26Å; W825-I829 WeakPolarHBondContact O-CG1 3.43Å; W825-I829 PolarHBondContact O-N 3.21Å; C826-I829 PolarHBondContact O-N 3.14Å; I829-K831 VanDerWaalsContact C-N 3.3Å; I829-K831 PolarHBondContact O-N 2.86Å; I829-G832 PolarHBondContact O-N 3.44Å; I829-M833 HydrophobicContact CG2-CG 4.4Å; I829-M833 WeakPolarHBondContact O-CG 3.33Å; I829-M833 PolarHBondContact O-N 3Å; I829-L846 HydrophobicContact CG2-CD1 4.08Å; I829-L846 HydrophobicContact CG2-CD2 4.48Å; I829-V851 HydrophobicContact CD1-CG1 4.25Å; I829-V851 HydrophobicContact CD1-CG2 4.04Å; I829-V851 HydrophobicContact CG1-CG1 4.13Å; I829-V851 HydrophobicContact CG1-CG2 4.09Å; I829-V859 HydrophobicContact CG1-CG2 4.29Å; I829-I861 HydrophobicContact CG2-CD1 4.13Å; I829-Y908 HydrophobicContact CB-CE2 4.15Å; I829-Y908 HydrophobicContact CG2-CD2 3.81Å; I829-Y908 HydrophobicContact CG2-CE2 3.87Å; I829-T911 HydrophobicContact CD1-CG2 4.2Å; I829-L915 HydrophobicContact CD1-CD1 3.98Å
830	A	97.9	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-37.7	174.6	0	0	0	0	0	112.3	C826 M827 M833 S834 Y908 L972 V973	C826-A830 WeakPolarHBondContact O-CB 3.48Å; C826-A830 PolarHBondContact O-N 2.84Å; M827-A830 PolarHBondContact O-N 3.27Å; A830-M833 PolarHBondContact O-N 3.37Å; A830-S834 VanDerWaalsContact O-CB 3.29Å; A830-S834 WeakPolarHBondContact O-CB 3.49Å; A830-S834 PolarHBondContact O-N 2.83Å; A830-Y908 HydrophobicContact CB-CE2 3.98Å; A830-L972 HydrophobicContact CB-CB 4.33Å; A830-V973 HydrophobicContact CB-CG2 3.63Å; A830-V973 WeakPolarHBondContact O-CG2 3.34Å
831	K	97.6	Very high	92.8	Very high	63 Å²	63	24.7 Å²	24.7	27%	0.274	12%	0.12	S	C	.	.	H	α-helix	trans	-68.4	-38.7	174.5	-75.1	169.1	176.1	169.9	0	112.5	Y781 M827 Q828 I829 Y835 V973	Y781-K831 HydrophobicContact CD2-CB 3.63Å; Y781-K831 HydrophobicContact CE2-CB 3.83Å; Y781-K831 HydrophobicContact CE2-CD 3.94Å; Y781-K831 HydrophobicContact CE2-CG 4.47Å; Y781-K831 HydrophobicContact CG-CB 4.34Å; M827-K831 HydrophobicContact CG-CD 4.09Å; M827-K831 VanDerWaalsContact O-CG 3.31Å; M827-K831 WeakPolarHBondContact O-CG 3.49Å; M827-K831 PolarHBondContact O-N 3.3Å; M827-K831 PolarHBondContact SD-NZ 3.46Å; Q828-K831 PolarHBondContact O-N 3.02Å; I829-K831 VanDerWaalsContact C-N 3.3Å; I829-K831 PolarHBondContact O-N 2.86Å; K831-Y835 PolarHBondContact O-N 3.2Å; K831-Y835 VanDerWaalsContact O-N 3.17Å; K831-V973 HydrophobicContact CB-CG2 4.41Å; K831-V973 HydrophobicContact CG-CG1 3.87Å; K831-V973 HydrophobicContact CG-CG2 3.78Å
832	G	95	Very high	92.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-45.9	172.4	0	0	0	0	0	112.1	Q828 I829 Y835 L836	Q828-G832 PolarHBondContact O-N 3.06Å; I829-G832 PolarHBondContact O-N 3.44Å; G832-Y835 WeakPolarHBondContact O-CB 3.31Å; G832-Y835 PolarHBondContact O-N 2.87Å; G832-L836 PolarHBondContact O-N 2.76Å; G832-L836 VanDerWaalsContact O-N 3.15Å
833	M	96.3	Very high	92.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-71.7	-35.2	178.4	-68.4	-52.1	-62.9	0	0	113.7	I829 A830 Y835 L836 E837 H843 L846 I861 D904 F969	I829-M833 HydrophobicContact CG2-CG 4.4Å; I829-M833 WeakPolarHBondContact O-CG 3.33Å; I829-M833 PolarHBondContact O-N 3Å; A830-M833 PolarHBondContact O-N 3.37Å; M833-Y835 VanDerWaalsContact C-N 3.27Å; M833-Y835 PolarHBondContact O-N 2.91Å; M833-L836 HydrophobicContact CE-CD1 4.39Å; M833-L836 CarbonylContact O-C 3.57Å; M833-L836 PolarHBondContact O-N 2.79Å; M833-L836 VanDerWaalsContact O-N 3.11Å; M833-L836 HydrophobicContact SD-CD1 3.85Å; M833-E837 PolarHBondContact O-N 3.43Å; M833-H843 HydrophobicContact CE-CB 3.82Å; M833-H843 HydrophobicContact SD-CB 4.33Å; M833-L846 HydrophobicContact CE-CD2 4.14Å; M833-L846 HydrophobicContact CG-CD1 4.43Å; M833-L846 HydrophobicContact CG-CD2 3.71Å; M833-L846 HydrophobicContact SD-CD1 4.07Å; M833-L846 HydrophobicContact SD-CD2 3.87Å; M833-L846 HydrophobicContact SD-CG 4.46Å; M833-I861 HydrophobicContact CG-CD1 3.69Å; M833-I861 HydrophobicContact SD-CD1 3.61Å; M833-D904 HydrophobicContact CE-CB 3.7Å; M833-F969 HydrophobicContact CB-CB 4.48Å; M833-F969 HydrophobicContact CB-CD1 3.39Å; M833-F969 HydrophobicContact CB-CD2 3.88Å; M833-F969 HydrophobicContact CB-CE1 3.36Å; M833-F969 HydrophobicContact CB-CE2 3.85Å; M833-F969 HydrophobicContact CB-CG 3.65Å; M833-F969 HydrophobicContact CB-CZ 3.59Å; M833-F969 HydrophobicContact CE-CE2 3.99Å; M833-F969 HydrophobicContact CE-CZ 3.88Å; M833-F969 HydrophobicContact CG-CD1 4.29Å; M833-F969 HydrophobicContact CG-CE1 3.79Å; M833-F969 HydrophobicContact CG-CZ 3.91Å
834	S	96.6	Very high	91.8	Very high	14 Å²	14	23.6 Å²	23.6	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-62.3	-36.4	172.1	-173.4	0	0	0	0	111.6	A830 E837 D838 R970	A830-S834 VanDerWaalsContact O-CB 3.29Å; A830-S834 WeakPolarHBondContact O-CB 3.49Å; A830-S834 PolarHBondContact O-N 2.83Å; S834-E837 PolarHBondContact O-N 3.41Å; S834-D838 WeakPolarHBondContact O-CB 3.23Å; S834-D838 PolarHBondContact O-N 3.44Å; S834-R970 VanDerWaalsContact OG-CG 3.32Å; S834-R970 WeakPolarHBondContact OG-CG 3.38Å
835	Y	93.7	Very high	91.4	Very high	57 Å²	57	22.1 Å²	22.1	22%	0.224	11%	0.105	C	C	.	.	H	α-helix	trans	-64.9	-41.6	171.8	168.8	-99	0	0	0	111.7	V777 G778 V782 K831 G832 M833 D838 V839	V777-Y835 HydrophobicContact CB-CE1 4.05Å; V777-Y835 HydrophobicContact CG1-CE1 4.23Å; G778-Y835 PolarHBondContact N-OH 3.44Å; V782-Y835 HydrophobicContact CG2-CD1 4.14Å; K831-Y835 PolarHBondContact O-N 3.2Å; K831-Y835 VanDerWaalsContact O-N 3.17Å; G832-Y835 WeakPolarHBondContact O-CB 3.31Å; G832-Y835 PolarHBondContact O-N 2.87Å; M833-Y835 VanDerWaalsContact C-N 3.27Å; M833-Y835 PolarHBondContact O-N 2.91Å; Y835-D838 PolarHBondContact O-N 2.85Å; Y835-V839 HydrophobicContact CD1-CG2 4.47Å; Y835-V839 HydrophobicContact CD2-CG1 4.31Å; Y835-V839 HydrophobicContact CE1-CG1 4.42Å; Y835-V839 HydrophobicContact CE1-CG2 4.07Å; Y835-V839 HydrophobicContact CE2-CG1 3.7Å; Y835-V839 WeakPolarHBondContact O-CG2 3.28Å; Y835-V839 PolarHBondContact O-N 3.49Å
836	L	90	Very high	91.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-66.5	-34.9	176	-64.6	177.2	0	0	0	112.5	V777 V782 G832 M833 V839 R840 L841	V777-L836 HydrophobicContact CG1-CD2 4.37Å; V782-L836 HydrophobicContact CG2-CG 4.38Å; G832-L836 PolarHBondContact O-N 2.76Å; G832-L836 VanDerWaalsContact O-N 3.15Å; M833-L836 HydrophobicContact CE-CD1 4.39Å; M833-L836 CarbonylContact O-C 3.57Å; M833-L836 PolarHBondContact O-N 2.79Å; M833-L836 VanDerWaalsContact O-N 3.11Å; M833-L836 HydrophobicContact SD-CD1 3.85Å; L836-V839 HydrophobicContact CD2-CG2 4.39Å; L836-V839 CarbonylContact O-C 3.54Å; L836-V839 PolarHBondContact O-N 2.98Å; L836-R840 PolarHBondContact O-N 2.78Å; L836-R840 VanDerWaalsContact O-N 3.1Å; L836-L841 CarbonylContact C-O 3.25Å; L836-L841 HydrophobicContact CB-CB 4.31Å; L836-L841 HydrophobicContact CD2-CB 4Å; L836-L841 HydrophobicContact CD2-CD1 3.83Å; L836-L841 PolarHBondContact O-N 2.63Å
837	E	89.8	Confident	91.1	Very high	18 Å²	18	22.1 Å²	22.1	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-59.8	-49.6	167.7	-171.2	-178.5	168.6	0	0	110.6	M833 S834 V839 R840 H901 R968 F969	M833-E837 PolarHBondContact O-N 3.43Å; S834-E837 PolarHBondContact O-N 3.41Å; E837-V839 VanDerWaalsContact C-N 3.3Å; E837-V839 PolarHBondContact O-N 2.87Å; E837-R840 PolarHBondContact O-N 2.84Å; E837-R840 VanDerWaalsContact O-N 3.09Å; E837-H901 HydrophobicContact CG-CB 4.23Å; E837-R968 IonicContact OE1-CZ 2.79Å; E837-R968 IonicContact OE1-NH1 2.68Å; E837-R968 PolarHBondContact OE1-NH1 3.24Å; E837-F969 HydrophobicContact CB-CD2 4.44Å; E837-F969 WeakPolarHBondContact OE2-CB 3.47Å; E837-F969 PolarHBondContact OE2-N 2.81Å; E837-F969 VanDerWaalsContact OE2-N 3.15Å
838	D	87.1	Confident	91	Very high	85 Å²	85	20.9 Å²	20.9	46%	0.455	10%	0.098	S	C	.	.	H	α-helix	trans	-63.6	-29.8	-179.6	-69.8	-26.2	0	0	0	113.4	S834 Y835 R970	S834-D838 WeakPolarHBondContact O-CB 3.23Å; S834-D838 PolarHBondContact O-N 3.44Å; Y835-D838 PolarHBondContact O-N 2.85Å; D838-R970 IonicContact OD1-CZ 2.64Å; D838-R970 VanDerWaalsContact OD1-CZ 3.31Å; D838-R970 IonicContact OD1-NE 3.65Å; D838-R970 PolarHBondContact OD1-NE 3.4Å; D838-R970 VanDerWaalsContact OD1-NE 3.12Å; D838-R970 IonicContact OD1-NH2 2.73Å; D838-R970 PolarHBondContact OD1-NH2 2.85Å; D838-R970 IonicContact OD2-NE 3.66Å; D838-R970 IonicContact OD2-NH2 3.65Å; D838-R970 PolarHBondContact OD2-NH2 2.98Å
839	V	78.9	Confident	90.8	Very high	51 Å²	51	23.1 Å²	23.1	31%	0.309	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	14.6	173.8	-54.6	0	0	0	0	114.6	Y835 L836 E837 L841	Y835-V839 HydrophobicContact CD1-CG2 4.47Å; Y835-V839 HydrophobicContact CD2-CG1 4.31Å; Y835-V839 HydrophobicContact CE1-CG1 4.42Å; Y835-V839 HydrophobicContact CE1-CG2 4.07Å; Y835-V839 HydrophobicContact CE2-CG1 3.7Å; Y835-V839 WeakPolarHBondContact O-CG2 3.28Å; Y835-V839 PolarHBondContact O-N 3.49Å; L836-V839 HydrophobicContact CD2-CG2 4.39Å; L836-V839 CarbonylContact O-C 3.54Å; L836-V839 PolarHBondContact O-N 2.98Å; E837-V839 VanDerWaalsContact C-N 3.3Å; E837-V839 PolarHBondContact O-N 2.87Å; V839-L841 VanDerWaalsContact C-N 3.3Å; V839-L841 HydrophobicContact CG2-CB 4.33Å; V839-L841 HydrophobicContact CG2-CD1 3.7Å; V839-L841 HydrophobicContact CG2-CG 3.9Å; V839-L841 PolarHBondContact O-N 3.1Å
840	R	83.6	Confident	90.5	Very high	91 Å²	91	23.8 Å²	23.8	34%	0.343	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	31.7	176	-60.5	178.5	171.1	-115.2	10.6	115.4	L836 E837 L869 L870 D871 I872	L836-R840 PolarHBondContact O-N 2.78Å; L836-R840 VanDerWaalsContact O-N 3.1Å; E837-R840 PolarHBondContact O-N 2.84Å; E837-R840 VanDerWaalsContact O-N 3.09Å; R840-L869 HydrophobicContact CB-CD1 4.29Å; R840-L870 PolarHBondContact O-N 3.49Å; R840-D871 PolarHBondContact NH1-O 3.44Å; R840-D871 VanDerWaalsContact NH1-O 3.17Å; R840-I872 VanDerWaalsContact NH1-C 3.33Å; R840-I872 VanDerWaalsContact NH1-CA 3.35Å; R840-I872 PolarHBondContact NH1-O 3.4Å; R840-I872 PolarHBondContact NH2-O 3.3Å; R840-I872 VanDerWaalsContact NH2-O 3.15Å
841	L	80.1	Confident	90.3	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.052	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-101.5	123.3	174.5	-67.1	176.4	0	0	0	111.1	V773 V777 L836 V839 L869 H901	V773-L841 HydrophobicContact CG1-CD1 3.69Å; V773-L841 HydrophobicContact CG1-CD2 3.58Å; V773-L841 HydrophobicContact CG1-CG 4.29Å; V773-L841 HydrophobicContact CG2-CD2 4.21Å; V777-L841 HydrophobicContact CG1-CD1 4.23Å; L836-L841 CarbonylContact C-O 3.25Å; L836-L841 HydrophobicContact CB-CB 4.31Å; L836-L841 HydrophobicContact CD2-CB 4Å; L836-L841 HydrophobicContact CD2-CD1 3.83Å; L836-L841 PolarHBondContact O-N 2.63Å; V839-L841 VanDerWaalsContact C-N 3.3Å; V839-L841 HydrophobicContact CG2-CB 4.33Å; V839-L841 HydrophobicContact CG2-CD1 3.7Å; V839-L841 HydrophobicContact CG2-CG 3.9Å; V839-L841 PolarHBondContact O-N 3.1Å; L841-L869 HydrophobicContact CD2-CB 4.38Å; L841-L869 HydrophobicContact CD2-CD1 3.8Å; L841-L869 HydrophobicContact CG-CD1 4.39Å; L841-H901 PolarHBondContact O-CE1 3.41Å; L841-H901 VanDerWaalsContact O-CE1 3.24Å; L841-H901 PolarHBondContact O-ND1 2.88Å
842	V	85.2	Confident	90.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.			trans	-98.6	121.8	174	-175.4	0	0	0	0	108.9	R844 A867 L870 F899 T900 D904	V842-R844 HydrophobicContact CB-CG 4.4Å; V842-R844 HydrophobicContact CG1-CG 3.79Å; V842-A867 WeakPolarHBondContact O-CA 3.35Å; V842-A867 WeakPolarHBondContact O-CB 3.49Å; V842-L870 HydrophobicContact CG2-CD1 3.6Å; V842-L870 HydrophobicContact CG2-CD2 4.47Å; V842-L870 HydrophobicContact CG2-CG 3.86Å; V842-F899 HydrophobicContact CG1-CB 4.23Å; V842-T900 WeakPolarHBondContact CG1-O 3.46Å; V842-D904 WeakPolarHBondContact CA-OD2 3.35Å; V842-D904 VanDerWaalsContact CG1-OD2 3.31Å; V842-D904 WeakPolarHBondContact CG1-OD2 3.46Å
843	H	88	Confident	90	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.105	C	C	.	.			trans	-75.9	-39.1	-171.5	-176	-17.3	0	0	0	113.5	M833 D845 I861 T862 F864 D904	M833-H843 HydrophobicContact CE-CB 3.82Å; M833-H843 HydrophobicContact SD-CB 4.33Å; H843-D845 PolarHBondContact CE1-O 3.31Å; H843-D845 PolarHBondContact O-N 2.91Å; H843-I861 VanDerWaalsContact CD2-CG2 3.43Å; H843-I861 WeakPolarHBondContact CD2-CG2 3.45Å; H843-I861 WeakPolarHBondContact NE2-CG2 3.39Å; H843-T862 PolarHBondContact CE1-O 2.81Å; H843-T862 PolarHBondContact NE2-O 2.88Å; H843-F864 HydrophobicContact CB-CB 4.45Å; H843-F864 WeakPolarHBondContact ND1-CA 3.33Å; H843-D904 PolarHBondContact N-OD1 2.78Å; H843-D904 PolarHBondContact N-OD2 3.03Å
844	R	87.1	Confident	89.6	Confident	17 Å²	17	24.8 Å²	24.8	6%	0.064	12%	0.116	C	C	.	.	S	Bend	trans	65.2	-13.4	175.5	-46.9	-177.9	-170.9	158	-9.2	117.5	V842 L866 Y877 F899 D904	V842-R844 HydrophobicContact CB-CG 4.4Å; V842-R844 HydrophobicContact CG1-CG 3.79Å; R844-L866 HydrophobicContact CB-CB 4.42Å; R844-L866 WeakPolarHBondContact CD-O 3.25Å; R844-L866 PolarHBondContact NH1-O 2.94Å; R844-Y877 VanDerWaalsContact NH1-CE1 3.28Å; R844-F899 HydrophobicContact CB-CD1 3.81Å; R844-F899 HydrophobicContact CB-CE1 4.01Å; R844-F899 HydrophobicContact CG-CB 4.09Å; R844-F899 HydrophobicContact CG-CD1 3.6Å; R844-F899 HydrophobicContact CG-CE1 4.26Å; R844-F899 HydrophobicContact CG-CG 3.98Å; R844-D904 PolarHBondContact N-OD1 2.78Å
845	D	87.3	Confident	89.1	Confident	14 Å²	14	26.2 Å²	26.2	8%	0.075	13%	0.125	C	C	.	.			trans	-138.1	41.1	177.7	-167	25.3	0	0	0	111.4	H843 A847 R849 N850 L866 P885	H843-D845 PolarHBondContact CE1-O 3.31Å; H843-D845 PolarHBondContact O-N 2.91Å; D845-A847 PolarHBondContact O-N 2.84Å; D845-R849 IonicContact OD1-CZ 2.72Å; D845-R849 IonicContact OD1-NE 2.71Å; D845-R849 IonicContact OD1-NH2 3.21Å; D845-R849 PolarHBondContact OD1-NH2 3.13Å; D845-N850 PolarHBondContact O-ND2 3.48Å; D845-N850 PolarHBondContact OD2-ND2 3.07Å; D845-L866 HydrophobicContact CB-CD1 4.42Å; D845-P885 HydrophobicContact CB-CG 4.39Å; D845-P885 WeakPolarHBondContact OD1-CB 3.49Å; D845-P885 VanDerWaalsContact OD1-CG 3.29Å; D845-P885 WeakPolarHBondContact OD1-CG 3.44Å
846	L	93.9	Very high	88.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.			trans	-71.8	119.1	174.5	-179.9	66.4	0	0	0	110.1	I829 M833 I861 S907 Y908 T911	I829-L846 HydrophobicContact CG2-CD1 4.08Å; I829-L846 HydrophobicContact CG2-CD2 4.48Å; M833-L846 HydrophobicContact CE-CD2 4.14Å; M833-L846 HydrophobicContact CG-CD1 4.43Å; M833-L846 HydrophobicContact CG-CD2 3.71Å; M833-L846 HydrophobicContact SD-CD1 4.07Å; M833-L846 HydrophobicContact SD-CD2 3.87Å; M833-L846 HydrophobicContact SD-CG 4.46Å; L846-I861 HydrophobicContact CD1-CD1 4.45Å; L846-I861 HydrophobicContact CD1-CG2 4.4Å; L846-S907 WeakPolarHBondContact O-CB 3.42Å; L846-Y908 HydrophobicContact CD2-CD2 4.26Å; L846-T911 PolarHBondContact O-OG1 2.85Å
847	A	93.9	Very high	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-158.7	161.8	-179.6	0	0	0	0	0	109.6	D845 R849 N850 W888 T911	D845-A847 PolarHBondContact O-N 2.84Å; A847-R849 HydrophobicContact CB-CG 3.66Å; A847-R849 VanDerWaalsContact CB-CZ 3.4Å; A847-R849 PolarHBondContact O-N 3.14Å; A847-R849 VanDerWaalsContact O-N 3.1Å; A847-N850 PolarHBondContact O-N 3.1Å; A847-W888 HydrophobicContact CB-CD2 4.4Å; A847-W888 HydrophobicContact CB-CG 4.18Å; A847-T911 WeakPolarHBondContact CA-OG1 3.46Å
848	A	94.9	Very high	88.5	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-61.8	-22.6	-179.8	0	0	0	0	0	113.8	L807 N850 T911 E914	L807-A848 HydrophobicContact CB-CB 3.85Å; L807-A848 HydrophobicContact CD1-CB 4.19Å; L807-A848 PolarHBondContact N-O 3Å; A848-N850 VanDerWaalsContact C-N 3.33Å; A848-T911 HydrophobicContact CB-CG2 4.46Å; A848-E914 HydrophobicContact CB-CB 3.87Å; A848-E914 HydrophobicContact CB-CG 4.44Å; A848-E914 PolarHBondContact N-OE2 2.99Å
849	R	91.3	Very high	88.9	Confident	61 Å²	61	28.5 Å²	28.5	23%	0.23	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-66.3	-30.2	170.3	53.1	159.3	179.2	-71.7	-6.1	113.8	C805 L807 D845 A847 V851 W888	C805-R849 WeakPolarHBondContact CB-O 3.15Å; L807-R849 HydrophobicContact CD2-CB 4.18Å; D845-R849 IonicContact OD1-CZ 2.72Å; D845-R849 IonicContact OD1-NE 2.71Å; D845-R849 IonicContact OD1-NH2 3.21Å; D845-R849 PolarHBondContact OD1-NH2 3.13Å; A847-R849 HydrophobicContact CB-CG 3.66Å; A847-R849 VanDerWaalsContact CB-CZ 3.4Å; A847-R849 PolarHBondContact O-N 3.14Å; A847-R849 VanDerWaalsContact O-N 3.1Å; R849-V851 VanDerWaalsContact C-N 3.32Å; R849-W888 VanDerWaalsContact NH1-CE2 3.31Å
850	N	92.1	Very high	89.6	Confident	15 Å²	15	26.3 Å²	26.3	8%	0.08	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-102.1	25.3	-174.4	-67.3	-0.6	0	0	0	110.8	D845 A847 A848 T862	D845-N850 PolarHBondContact O-ND2 3.48Å; D845-N850 PolarHBondContact OD2-ND2 3.07Å; A847-N850 PolarHBondContact O-N 3.1Å; A848-N850 VanDerWaalsContact C-N 3.33Å; N850-T862 HydrophobicContact CB-CG2 4.46Å; N850-T862 WeakPolarHBondContact O-CG2 3.44Å; N850-T862 PolarHBondContact O-N 3.47Å
851	V	94.4	Very high	90.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.1	168.3	-179.5	0	0	0	0	107	C805 L806 I829 R849 V859 K860 I861	C805-V851 CarbonylContact C-O 3.5Å; C805-V851 WeakPolarHBondContact CA-O 3.4Å; L806-V851 HydrophobicContact CB-CB 4.03Å; L806-V851 HydrophobicContact CB-CG1 4.08Å; L806-V851 WeakPolarHBondContact CB-O 3.02Å; L806-V851 HydrophobicContact CD2-CB 4.18Å; L806-V851 HydrophobicContact CD2-CG1 3.74Å; L806-V851 PolarHBondContact N-O 3.34Å; I829-V851 HydrophobicContact CD1-CG1 4.25Å; I829-V851 HydrophobicContact CD1-CG2 4.04Å; I829-V851 HydrophobicContact CG1-CG1 4.13Å; I829-V851 HydrophobicContact CG1-CG2 4.09Å; R849-V851 VanDerWaalsContact C-N 3.32Å; V851-V859 HydrophobicContact CG1-CB 3.75Å; V851-V859 HydrophobicContact CG1-CG1 4.41Å; V851-V859 HydrophobicContact CG1-CG2 4.13Å; V851-K860 CarbonylContact C-O 3.45Å; V851-K860 WeakPolarHBondContact CA-O 3.33Å; V851-I861 HydrophobicContact CG2-CG1 4.48Å
852	L	92.8	Very high	90.4	Very high	33 Å²	33	21.9 Å²	21.9	17%	0.173	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.2	-179.2	-57.4	177.6	0	0	0	111.1	M801 G804 C805 V859 K860 T862	M801-L852 HydrophobicContact CB-CB 3.8Å; M801-L852 HydrophobicContact CB-CD1 4.17Å; M801-L852 HydrophobicContact CG-CB 3.63Å; M801-L852 HydrophobicContact CG-CD1 3.63Å; M801-L852 HydrophobicContact CG-CG 4.26Å; G804-L852 WeakPolarHBondContact O-CA 3.29Å; C805-L852 HydrophobicContact CB-CD2 4.14Å; L852-V859 CarbonylContact O-C 3.58Å; L852-V859 VanDerWaalsContact O-CA 3.27Å; L852-V859 WeakPolarHBondContact O-CA 3.47Å; L852-K860 PolarHBondContact N-O 3.11Å; L852-K860 PolarHBondContact O-N 3.01Å; L852-T862 HydrophobicContact CD1-CG2 3.86Å; L852-T862 HydrophobicContact CD2-CG2 3.99Å; L852-T862 HydrophobicContact CG-CG2 3.56Å
853	V	92.4	Very high	90	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.7	-177.1	-175.7	0	0	0	0	109.5	Y803 G804 L806 H809 S855 V859	Y803-V853 HydrophobicContact CD2-CG1 4.4Å; Y803-V853 HydrophobicContact CG-CG1 4.18Å; Y803-V853 PolarHBondContact N-O 3.25Å; G804-V853 PolarHBondContact O-N 2.9Å; L806-V853 HydrophobicContact CB-CG2 4.03Å; L806-V853 HydrophobicContact CD1-CG2 3.81Å; H809-V853 HydrophobicContact CB-CG2 3.99Å; V853-S855 VanDerWaalsContact CG1-O 3.27Å; V853-S855 WeakPolarHBondContact CG1-O 3.4Å; V853-V859 HydrophobicContact CG2-CG1 4.16Å
854	K	87.8	Confident	89	Confident	53 Å²	53	24.3 Å²	24.3	23%	0.23	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-42.7	174	-171.1	-176.3	-178.4	-174.6	0	110.4	Q799 M801 Y803 H858 D1019 E1021	Q799-K854 VanDerWaalsContact NE2-CE 3.3Å; M801-K854 HydrophobicContact SD-CB 3.93Å; M801-K854 HydrophobicContact SD-CG 4.2Å; Y803-K854 WeakPolarHBondContact CD2-O 3.02Å; K854-H858 PolarHBondContact N-O 3.17Å; K854-D1019 IonicContact NZ-OD1 2.64Å; K854-D1019 PolarHBondContact NZ-OD1 3.35Å; K854-D1019 IonicContact NZ-OD2 2.72Å; K854-E1021 IonicContact NZ-OE2 3.28Å; K854-E1021 PolarHBondContact NZ-OE2 2.9Å
855	S	86.5	Confident	87.4	Confident	43 Å²	43	24.2 Å²	24.2	30%	0.301	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.8	168.7	72.2	0	0	0	0	108.6	V853 N857 H858	V853-S855 VanDerWaalsContact CG1-O 3.27Å; V853-S855 WeakPolarHBondContact CG1-O 3.4Å; S855-N857 PolarHBondContact O-N 3.46Å; S855-H858 PolarHBondContact N-O 3.38Å; S855-H858 CarbonylContact O-C 3.48Å; S855-H858 PolarHBondContact O-N 2.03Å
856	P	83.8	Confident	85.7	Confident	35 Å²	35	26.4 Å²	26.4	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-33.4	177.6	-29.1	36.6	0	0	0	113.4	Y803 W825	Y803-P856 HydrophobicContact CE1-CG 4.49Å; W825-P856 PolarHBondContact NE1-O 3.26Å
857	N	86.1	Confident	83.7	Confident	125 Å²	125	26.8 Å²	26.8	67%	0.668	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.7	-179.6	-62.1	5.1	0	0	0	114.1	Q828 S855	Q828-N857 PolarHBondContact NE2-O 2.94Å; S855-N857 PolarHBondContact O-N 3.46Å
858	H	91	Very high	81.9	Confident	47 Å²	47	31.3 Å²	31.3	22%	0.218	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	117.1	-171.3	-163.7	110.9	0	0	0	113.5	P780 K854 S855	P780-H858 PolarHBondContact O-CE1 2.94Å; P780-H858 PolarHBondContact O-NE2 3.49Å; K854-H858 PolarHBondContact N-O 3.17Å; S855-H858 PolarHBondContact N-O 3.38Å; S855-H858 CarbonylContact O-C 3.48Å; S855-H858 PolarHBondContact O-N 2.03Å
859	V	95.4	Very high	79.5	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	153.7	176.8	-62.3	0	0	0	0	112.8	L806 W825 Q828 I829 V851 L852 V853	L806-V859 HydrophobicContact CD1-CG1 4.25Å; L806-V859 HydrophobicContact CD2-CG1 4.24Å; W825-V859 HydrophobicContact CB-CG2 4.36Å; W825-V859 VanDerWaalsContact CD1-CG1 3.46Å; W825-V859 HydrophobicContact CG-CG1 4.02Å; W825-V859 HydrophobicContact CG-CG2 4.46Å; Q828-V859 HydrophobicContact CB-CG2 3.68Å; I829-V859 HydrophobicContact CG1-CG2 4.29Å; V851-V859 HydrophobicContact CG1-CB 3.75Å; V851-V859 HydrophobicContact CG1-CG1 4.41Å; V851-V859 HydrophobicContact CG1-CG2 4.13Å; L852-V859 CarbonylContact O-C 3.58Å; L852-V859 VanDerWaalsContact O-CA 3.27Å; L852-V859 WeakPolarHBondContact O-CA 3.47Å; V853-V859 HydrophobicContact CG2-CG1 4.16Å
860	K	94.1	Very high	76.9	Confident	5 Å²	5	31.1 Å²	31.1	2%	0.022	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	177.8	-64.6	-170.9	-176.6	179.6	0	111.9	P780 Y781 M801 V851 L852 E1021	P780-K860 VanDerWaalsContact O-CE 3.31Å; P780-K860 WeakPolarHBondContact O-CE 2.99Å; P780-K860 WeakPolarHBondContact O-CG 3.35Å; Y781-K860 CarbonylContact O-C 3.56Å; Y781-K860 WeakPolarHBondContact O-CA 3.33Å; M801-K860 HydrophobicContact CE-CD 3.74Å; M801-K860 HydrophobicContact SD-CD 4.43Å; V851-K860 CarbonylContact C-O 3.45Å; V851-K860 WeakPolarHBondContact CA-O 3.33Å; L852-K860 PolarHBondContact N-O 3.11Å; L852-K860 PolarHBondContact O-N 3.01Å; K860-E1021 IonicContact NZ-OE1 3.21Å; K860-E1021 PolarHBondContact NZ-OE1 2.77Å; K860-E1021 IonicContact NZ-OE2 3.57Å; K860-E1021 PolarHBondContact NZ-OE2 2.79Å
861	I	93.5	Very high	74.5	Confident	1 Å²	1	35 Å²	35	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	135.7	174.9	-57.8	178.9	0	0	0	109.8	Y781 S783 I829 M833 H843 L846 V851	Y781-I861 PolarHBondContact O-N 2.72Å; S783-I861 VanDerWaalsContact CB-O 3.24Å; S783-I861 WeakPolarHBondContact CB-O 3.01Å; S783-I861 PolarHBondContact N-O 2.86Å; I829-I861 HydrophobicContact CG2-CD1 4.13Å; M833-I861 HydrophobicContact CG-CD1 3.69Å; M833-I861 HydrophobicContact SD-CD1 3.61Å; H843-I861 VanDerWaalsContact CD2-CG2 3.43Å; H843-I861 WeakPolarHBondContact CD2-CG2 3.45Å; H843-I861 WeakPolarHBondContact NE2-CG2 3.39Å; L846-I861 HydrophobicContact CD1-CD1 4.45Å; L846-I861 HydrophobicContact CD1-CG2 4.4Å; V851-I861 HydrophobicContact CG2-CG1 4.48Å
862	T	87.8	Confident	72	Confident	7 Å²	7	38.6 Å²	38.6	4%	0.043	20%	0.204	C	C	.	.			trans	-130.5	174.7	-179.3	-170.2	0	0	0	0	111	H843 N850 L852 F864	H843-T862 PolarHBondContact CE1-O 2.81Å; H843-T862 PolarHBondContact NE2-O 2.88Å; N850-T862 HydrophobicContact CB-CG2 4.46Å; N850-T862 WeakPolarHBondContact O-CG2 3.44Å; N850-T862 PolarHBondContact O-N 3.47Å; L852-T862 HydrophobicContact CD1-CG2 3.86Å; L852-T862 HydrophobicContact CD2-CG2 3.99Å; L852-T862 HydrophobicContact CG-CG2 3.56Å; T862-F864 PolarHBondContact O-N 3.2Å
863	D	76.5	Confident	69.6	Low	49 Å²	49	41.7 Å²	41.7	26%	0.262	22%	0.221	S	C	.	.			trans	54.3	30.7	168.4	-68.3	-78.3	0	0	0	114.9	K753 G865	K753-D863 IonicContact NZ-OD1 2.79Å; K753-D863 PolarHBondContact NZ-OD1 2.75Å; D863-G865 PolarHBondContact O-N 3.12Å
864	F	66.6	Low	67.4	Low	3 Å²	3	46.6 Å²	46.6	1%	0.013	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-68.4	28.9	159.9	57.6	-85.9	0	0	0	112.5	V773 M774 V777 V782 S783 H843 T862 L866 A867	V773-F864 HydrophobicContact CG1-CD2 4.3Å; V773-F864 HydrophobicContact CG1-CE2 4.13Å; M774-F864 HydrophobicContact CB-CE2 4.19Å; M774-F864 HydrophobicContact CB-CZ 4.2Å; M774-F864 HydrophobicContact CE-CZ 4.44Å; M774-F864 HydrophobicContact CG-CD2 4.3Å; M774-F864 HydrophobicContact CG-CE2 3.64Å; M774-F864 HydrophobicContact CG-CZ 3.89Å; V777-F864 HydrophobicContact CG1-CE2 4.07Å; V777-F864 HydrophobicContact CG1-CZ 4.01Å; V777-F864 HydrophobicContact CG2-CZ 4.01Å; V782-F864 HydrophobicContact CG1-CD1 4.2Å; V782-F864 HydrophobicContact CG1-CE1 3.52Å; V782-F864 HydrophobicContact CG1-CZ 3.92Å; S783-F864 WeakPolarHBondContact O-CE1 3.37Å; H843-F864 HydrophobicContact CB-CB 4.45Å; H843-F864 WeakPolarHBondContact ND1-CA 3.33Å; T862-F864 PolarHBondContact O-N 3.2Å; F864-L866 PolarHBondContact O-N 3.46Å; F864-A867 HydrophobicContact CB-CB 4.42Å; F864-A867 WeakPolarHBondContact O-CB 3.41Å; F864-A867 PolarHBondContact O-N 3.03Å
865	G	52.6	Low	65.7	Low	16 Å²	16	48.7 Å²	48.7	17%	0.165	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-70.4	-15.3	-179.3	0	0	0	0	0	114.3	E770 D863 A867	E770-G865 VanDerWaalsContact CD-CA 3.47Å; E770-G865 WeakPolarHBondContact OE1-CA 3.47Å; D863-G865 PolarHBondContact O-N 3.12Å; G865-A867 VanDerWaalsContact C-N 3.29Å
866	L	51.7	Low	64	Low	59 Å²	59	49.4 Å²	49.4	31%	0.309	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-84.5	-1.9	168.3	-65	179.6	0	0	0	112.8	F731 R844 D845 F864	F731-L866 HydrophobicContact CE1-CD2 4.3Å; F731-L866 HydrophobicContact CZ-CD2 4.22Å; F731-L866 HydrophobicContact CZ-CG 4.42Å; R844-L866 HydrophobicContact CB-CB 4.42Å; R844-L866 WeakPolarHBondContact CD-O 3.25Å; R844-L866 PolarHBondContact NH1-O 2.94Å; D845-L866 HydrophobicContact CB-CD1 4.42Å; F864-L866 PolarHBondContact O-N 3.46Å
867	A	52.7	Low	61.9	Low	9 Å²	9	49.4 Å²	49.4	7%	0.074	26%	0.255	C	S	.	.			trans	-67.1	145.8	178.3	0	0	0	0	0	111.8	V842 F864 G865	V842-A867 WeakPolarHBondContact O-CA 3.35Å; V842-A867 WeakPolarHBondContact O-CB 3.49Å; F864-A867 HydrophobicContact CB-CB 4.42Å; F864-A867 WeakPolarHBondContact O-CB 3.41Å; F864-A867 PolarHBondContact O-N 3.03Å; G865-A867 VanDerWaalsContact C-N 3.29Å
868	R	55.9	Low	60.2	Low	95 Å²	95	48.9 Å²	48.9	36%	0.358	25%	0.248	S	C	.	.			trans	-129.2	151.1	155.7	-64.2	-175.7	177.9	-177.5	-7.1	107.4	E766 Y877	E766-R868 VanDerWaalsContact CD-NH2 3.33Å; E766-R868 IonicContact OE1-CZ 3.89Å; E766-R868 IonicContact OE1-NH2 3.26Å; E766-R868 PolarHBondContact OE1-NH2 2.72Å; R868-Y877 PolarHBondContact NH1-OH 3.5Å; R868-Y877 VanDerWaalsContact NH1-OH 3.1Å
869	L	45.1	Very low	58.3	Low	51 Å²	51	47.9 Å²	47.9	27%	0.267	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-59	136.1	169.1	-162.8	64.8	0	0	0	108.7	A705 R840 L841	A705-L869 HydrophobicContact CB-CD2 3.85Å; R840-L869 HydrophobicContact CB-CD1 4.29Å; L841-L869 HydrophobicContact CD2-CB 4.38Å; L841-L869 HydrophobicContact CD2-CD1 3.8Å; L841-L869 HydrophobicContact CG-CD1 4.39Å
870	L	37.2	Very low	55.9	Low	6 Å²	6	53.5 Å²	53.5	3%	0.031	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-83.2	130.2	165.4	-72.3	176.5	0	0	0	108.9	R840 V842	R840-L870 PolarHBondContact O-N 3.49Å; V842-L870 HydrophobicContact CG2-CD1 3.6Å; V842-L870 HydrophobicContact CG2-CD2 4.47Å; V842-L870 HydrophobicContact CG2-CG 3.86Å
871	D	40	Very low	53.4	Low	95 Å²	95	57 Å²	57	51%	0.508	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-62.3	162.3	174.7	-95.6	-49.2	0	0	0	111.8	R840 D873 E874	R840-D871 PolarHBondContact NH1-O 3.44Å; R840-D871 VanDerWaalsContact NH1-O 3.17Å; D871-D873 PolarHBondContact O-N 3.43Å; D871-E874 HydrophobicContact CB-CB 4.29Å; D871-E874 HydrophobicContact CB-CG 4.14Å; D871-E874 PolarHBondContact O-N 3.08Å; D871-E874 VanDerWaalsContact O-N 3.13Å
872	I	42.3	Very low	51.3	Low	77 Å²	77	59.4 Å²	59.4	40%	0.395	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.2	-167.1	-64.1	-178.3	0	0	0	112.3	A705 R840	A705-I872 HydrophobicContact CB-CD1 4.48Å; A705-I872 HydrophobicContact CB-CG1 4.05Å; R840-I872 VanDerWaalsContact NH1-C 3.33Å; R840-I872 VanDerWaalsContact NH1-CA 3.35Å; R840-I872 PolarHBondContact NH1-O 3.4Å; R840-I872 PolarHBondContact NH2-O 3.3Å; R840-I872 VanDerWaalsContact NH2-O 3.15Å
873	D	41.9	Very low	49.7	Very low	98 Å²	98	65.9 Å²	65.9	52%	0.524	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-4.5	-178.5	-63.4	-40.5	0	0	0	114.6	N176 D871	N176-D873 PolarHBondContact ND2-OD1 3.26Å; D871-D873 PolarHBondContact O-N 3.43Å
874	E	46.5	Very low	49.3	Very low	102 Å²	102	64.9 Å²	64.9	48%	0.477	36%	0.364	S	S	.	.			trans	-92.1	114.7	179.2	-68.1	-157.4	149.5	0	0	111.6	D871 E876	D871-E874 HydrophobicContact CB-CB 4.29Å; D871-E874 HydrophobicContact CB-CG 4.14Å; D871-E874 PolarHBondContact O-N 3.08Å; D871-E874 VanDerWaalsContact O-N 3.13Å; E874-E876 VanDerWaalsContact C-N 3.34Å
875	T	52	Low	50.1	Low	97 Å²	97	65 Å²	65	60%	0.595	37%	0.365	S	S	*	.	S	Bend	trans	-88.3	-4.4	172.5	56.9	0	0	0	0	113.1	T900	T875-T900 VanDerWaalsContact O-CG2 3.28Å; T875-T900 WeakPolarHBondContact O-CG2 3.32Å
876	E	51.1	Low	51.7	Low	58 Å²	58	66.5 Å²	66.5	27%	0.271	37%	0.369	S	S	.	.			trans	-146.1	142.9	-178.4	64.1	-174.1	119.2	0	0	112.8	E874 H878 R898 T900	E874-E876 VanDerWaalsContact C-N 3.34Å; E876-H878 IonicContact OE2-CE1 2.7Å; E876-H878 IonicContact OE2-NE2 3.03Å; E876-R898 HydrophobicContact CB-CG 3.99Å; E876-R898 IonicContact OE1-CZ 4Å; E876-R898 IonicContact OE1-NH1 2.68Å; E876-R898 PolarHBondContact OE1-NH1 3.47Å; E876-R898 WeakPolarHBondContact OE2-CD 3.5Å; E876-R898 IonicContact OE2-CZ 2.77Å; E876-R898 VanDerWaalsContact OE2-CZ 3.28Å; E876-R898 IonicContact OE2-NE 3.27Å; E876-R898 PolarHBondContact OE2-NE 2.98Å; E876-R898 IonicContact OE2-NH1 3.82Å; E876-R898 PolarHBondContact OE2-NH1 3.31Å; E876-T900 HydrophobicContact CB-CG2 4.1Å
877	Y	40.8	Very low	53.6	Low	35 Å²	35	64.6 Å²	64.6	14%	0.137	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136	170.2	170.3	-94.9	0	0	0	110.7	R844 R868 A879 R897 R898 F899	R844-Y877 VanDerWaalsContact NH1-CE1 3.28Å; R868-Y877 PolarHBondContact NH1-OH 3.5Å; R868-Y877 VanDerWaalsContact NH1-OH 3.1Å; Y877-A879 HydrophobicContact CD1-CB 4.39Å; Y877-A879 VanDerWaalsContact CE1-CA 3.44Å; Y877-A879 HydrophobicContact CE1-CB 3.72Å; Y877-R897 VanDerWaalsContact O-O 3.11Å; Y877-R898 WeakPolarHBondContact O-CA 3.44Å; Y877-F899 HydrophobicContact CD1-CB 4.44Å; Y877-F899 HydrophobicContact CD1-CD2 4.3Å; Y877-F899 PolarHBondContact N-O 3.43Å; Y877-F899 PolarHBondContact O-N 3.42Å
878	H	50.3	Low	55.6	Low	114 Å²	114	66 Å²	66	53%	0.528	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.1	169.7	-67.1	-72.4	0	0	0	111	E876 R896 R897	E876-H878 IonicContact OE2-CE1 2.7Å; E876-H878 IonicContact OE2-NE2 3.03Å; H878-R896 PolarHBondContact ND1-O 2.92Å; H878-R897 WeakPolarHBondContact CA-O 3.2Å
879	A	50.6	Low	57.3	Low	26 Å²	26	61.8 Å²	61.8	22%	0.215	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-85.3	121	-179.9	0	0	0	0	0	113.5	Y877 R897 F899	Y877-A879 HydrophobicContact CD1-CB 4.39Å; Y877-A879 VanDerWaalsContact CE1-CA 3.44Å; Y877-A879 HydrophobicContact CE1-CB 3.72Å; A879-R897 HydrophobicContact CB-CB 4.42Å; A879-R897 PolarHBondContact N-O 3.28Å; A879-F899 HydrophobicContact CB-CD2 4Å; A879-F899 HydrophobicContact CB-CE2 3.59Å
880	D	45.5	Very low	59.6	Low	121 Å²	121	59.4 Å²	59.4	65%	0.647	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-52	147.3	151.8	-80.3	-21.3	0	0	0	110.1
881	G	42	Very low	62.3	Low	78 Å²	78	59.7 Å²	59.7	80%	0.804	34%	0.335	S	S	*	.	S	Bend	trans	-62.2	139.8	-162.9	0	0	0	0	0	116
882	G	47.8	Very low	64.7	Low	52 Å²	52	56.1 Å²	56.1	54%	0.536	32%	0.315	S	S	.	.			trans	-164.3	175.9	175.8	0	0	0	0	0	113.2
883	K	55.4	Low	67	Low	143 Å²	143	52.5 Å²	52.5	62%	0.622	30%	0.297	S	S	*	.			trans	-69.6	128.8	172.2	-74	-176.5	177.4	-178.9	0	109.6	Y1248	K883-Y1248 HydrophobicContact CB-CD1 3.74Å; K883-Y1248 HydrophobicContact CB-CE1 3.83Å; K883-Y1248 HydrophobicContact CD-CD1 4.17Å; K883-Y1248 HydrophobicContact CD-CG 4.41Å; K883-Y1248 HydrophobicContact CG-CD1 4.03Å
884	V	68.5	Low	69.1	Low	27 Å²	27	49.1 Å²	49.1	16%	0.164	28%	0.279	C	S	.	.			trans	-135.3	149.4	-173	-65.5	0	0	0	0	113.6	I886 M889 Y1248	V884-I886 HydrophobicContact CG2-CG1 4.08Å; V884-I886 PolarHBondContact O-N 3.42Å; V884-I886 VanDerWaalsContact O-N 3.08Å; V884-M889 HydrophobicContact CB-CE 4.24Å; V884-M889 HydrophobicContact CB-SD 3.61Å; V884-M889 HydrophobicContact CG2-CE 4.26Å; V884-M889 HydrophobicContact CG2-SD 3.74Å; V884-Y1248 WeakPolarHBondContact O-CE1 3.49Å
885	P	82.6	Confident	71	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.039	28%	0.278	C	S	.	.			trans	-87.4	62.2	-169.7	37.8	-40.5	0	0	0	113.1	D845 K887 W888 M889	D845-P885 HydrophobicContact CB-CG 4.39Å; D845-P885 WeakPolarHBondContact OD1-CB 3.49Å; D845-P885 VanDerWaalsContact OD1-CG 3.29Å; D845-P885 WeakPolarHBondContact OD1-CG 3.44Å; P885-K887 VanDerWaalsContact C-N 3.27Å; P885-K887 PolarHBondContact O-N 3.32Å; P885-W888 HydrophobicContact CB-CE3 4.25Å; P885-W888 PolarHBondContact O-N 2.95Å; P885-M889 HydrophobicContact CG-CG 4.03Å; P885-M889 HydrophobicContact CG-SD 4.4Å
886	I	86.4	Confident	72.5	Confident	48 Å²	48	52.3 Å²	52.3	25%	0.246	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-44.1	-43.1	-164.8	-59.4	176.5	0	0	0	115	V884 W888 M889 I894 A928 I931	V884-I886 HydrophobicContact CG2-CG1 4.08Å; V884-I886 PolarHBondContact O-N 3.42Å; V884-I886 VanDerWaalsContact O-N 3.08Å; I886-W888 PolarHBondContact O-N 2.76Å; I886-W888 VanDerWaalsContact O-N 3.15Å; I886-M889 HydrophobicContact CG1-SD 4.38Å; I886-M889 PolarHBondContact O-N 3.08Å; I886-M889 VanDerWaalsContact O-N 3.08Å; I886-I894 HydrophobicContact CG2-CD1 3.94Å; I886-I894 HydrophobicContact CG2-CG1 4.22Å; I886-A928 HydrophobicContact CB-CB 4.3Å; I886-A928 HydrophobicContact CD1-CB 4.24Å; I886-A928 WeakPolarHBondContact CG2-O 3.35Å; I886-I931 HydrophobicContact CG2-CB 4.12Å; I886-I931 HydrophobicContact CG2-CG1 4.45Å; I886-I931 HydrophobicContact CG2-CG2 4.33Å
887	K	91.5	Very high	74	Confident	18 Å²	18	54 Å²	54	8%	0.078	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.5	-13.9	-179.2	-78.6	169.5	163.7	170.9	0	115.5	P885 P922 Y923 I926 I931 E1247	P885-K887 VanDerWaalsContact C-N 3.27Å; P885-K887 PolarHBondContact O-N 3.32Å; K887-P922 WeakPolarHBondContact CD-O 3.34Å; K887-Y923 HydrophobicContact CB-CD2 4.48Å; K887-Y923 VanDerWaalsContact CE-O 3.3Å; K887-Y923 WeakPolarHBondContact CE-O 3.09Å; K887-Y923 HydrophobicContact CG-CD2 4.43Å; K887-Y923 PolarHBondContact NZ-O 2.82Å; K887-I926 WeakPolarHBondContact CE-O 3.47Å; K887-I926 PolarHBondContact NZ-O 3.1Å; K887-I931 HydrophobicContact CG-CD1 4.1Å; K887-I931 HydrophobicContact CG-CG1 4.09Å; K887-E1247 WeakPolarHBondContact CE-OE2 3.03Å; K887-E1247 IonicContact NZ-OE1 2.87Å; K887-E1247 PolarHBondContact NZ-OE1 3.41Å; K887-E1247 IonicContact NZ-OE2 3.46Å; K887-E1247 PolarHBondContact NZ-OE2 3Å
888	W	93.9	Very high	76	Confident	40 Å²	40	55 Å²	55	15%	0.152	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-104.4	-15	173.4	-70	-102.8	0	0	0	113.2	A847 R849 P885 I886 W906 S907 V910 E914 P922	A847-W888 HydrophobicContact CB-CD2 4.4Å; A847-W888 HydrophobicContact CB-CG 4.18Å; R849-W888 VanDerWaalsContact NH1-CE2 3.31Å; P885-W888 HydrophobicContact CB-CE3 4.25Å; P885-W888 PolarHBondContact O-N 2.95Å; I886-W888 PolarHBondContact O-N 2.76Å; I886-W888 VanDerWaalsContact O-N 3.15Å; W888-W906 VanDerWaalsContact O-CD1 3.32Å; W888-S907 WeakPolarHBondContact O-CA 3.38Å; W888-S907 PolarHBondContact O-OG 3.34Å; W888-V910 VanDerWaalsContact CD1-CG1 3.47Å; W888-V910 HydrophobicContact CG-CG1 4.01Å; W888-E914 WeakPolarHBondContact CZ2-OE1 3.43Å; W888-E914 VanDerWaalsContact NE1-CD 3.25Å; W888-E914 PolarHBondContact NE1-OE2 3.08Å; W888-P922 HydrophobicContact CZ2-CG 3.87Å
889	M	91.8	Very high	77.6	Confident	5 Å²	5	50 Å²	50	3%	0.025	27%	0.265	C	S	.	.	S	Bend	trans	-79.7	148.2	-169.7	-67.7	172.1	64.4	0	0	113.3	V884 P885 I886 S893 I894 F899 W906	V884-M889 HydrophobicContact CB-CE 4.24Å; V884-M889 HydrophobicContact CB-SD 3.61Å; V884-M889 HydrophobicContact CG2-CE 4.26Å; V884-M889 HydrophobicContact CG2-SD 3.74Å; P885-M889 HydrophobicContact CG-CG 4.03Å; P885-M889 HydrophobicContact CG-SD 4.4Å; I886-M889 HydrophobicContact CG1-SD 4.38Å; I886-M889 PolarHBondContact O-N 3.08Å; I886-M889 VanDerWaalsContact O-N 3.08Å; M889-S893 VanDerWaalsContact CE-C 3.48Å; M889-S893 VanDerWaalsContact CE-O 3.32Å; M889-S893 WeakPolarHBondContact CE-O 3.47Å; M889-I894 HydrophobicContact CB-CD1 4.11Å; M889-I894 HydrophobicContact CB-CG1 3.68Å; M889-I894 HydrophobicContact CE-CG1 4.17Å; M889-I894 HydrophobicContact SD-CG1 4.42Å; M889-F899 HydrophobicContact CE-CE1 4Å; M889-F899 HydrophobicContact CE-CZ 3.77Å; M889-W906 PolarHBondContact O-NE1 3.12Å
890	A	94.3	Very high	79.5	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.258	C	S	.	.			trans	-67.8	151.3	167.6	0	0	0	0	0	112.1	E892 S893 I894 W906	A890-E892 VanDerWaalsContact C-N 3.31Å; A890-E892 VanDerWaalsContact CB-OE1 3.28Å; A890-E892 WeakPolarHBondContact CB-OE1 3.47Å; A890-E892 WeakPolarHBondContact CB-OE2 3.33Å; A890-E892 PolarHBondContact O-N 3.1Å; A890-S893 WeakPolarHBondContact O-CA 3.3Å; A890-S893 WeakPolarHBondContact O-CB 3.46Å; A890-S893 PolarHBondContact O-N 2.84Å; A890-I894 WeakPolarHBondContact O-CG1 3.43Å; A890-I894 PolarHBondContact O-N 2.92Å; A890-W906 HydrophobicContact CB-CB 3.73Å; A890-W906 HydrophobicContact CB-CD2 3.93Å; A890-W906 HydrophobicContact CB-CE3 4.18Å; A890-W906 HydrophobicContact CB-CG 3.73Å
891	L	92.8	Very high	81.7	Confident	13 Å²	13	44.8 Å²	44.8	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-38.7	-175.5	-176.4	63.2	0	0	0	112.7	S893 I894 L895 P932 L935 E936 I961	L891-S893 VanDerWaalsContact C-N 3.29Å; L891-S893 PolarHBondContact O-N 3.04Å; L891-I894 PolarHBondContact O-N 2.94Å; L891-L895 HydrophobicContact CD1-CD1 3.73Å; L891-L895 HydrophobicContact CD1-CG 3.87Å; L891-L895 HydrophobicContact CD2-CD1 4.32Å; L891-L895 HydrophobicContact CG-CD1 3.76Å; L891-L895 HydrophobicContact CG-CG 4.23Å; L891-L895 WeakPolarHBondContact O-CB 3.36Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 3.43Å; L891-P932 HydrophobicContact CD1-CB 4.11Å; L891-L935 HydrophobicContact CD1-CB 4.12Å; L891-L935 HydrophobicContact CD1-CD1 4.49Å; L891-E936 HydrophobicContact CD1-CG 4.24Å; L891-E936 HydrophobicContact CD2-CG 3.76Å; L891-I961 HydrophobicContact CD2-CD1 3.73Å
892	E	91	Very high	84.2	Confident	20 Å²	20	42.7 Å²	42.7	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-66.6	-29.9	175.5	72.3	-76.1	-178.1	0	0	113.1	A890 R896 R897 R898 R966	A890-E892 VanDerWaalsContact C-N 3.31Å; A890-E892 VanDerWaalsContact CB-OE1 3.28Å; A890-E892 WeakPolarHBondContact CB-OE1 3.47Å; A890-E892 WeakPolarHBondContact CB-OE2 3.33Å; A890-E892 PolarHBondContact O-N 3.1Å; E892-R896 WeakPolarHBondContact O-CA 3.48Å; E892-R896 WeakPolarHBondContact O-CB 3.31Å; E892-R896 PolarHBondContact O-N 3.04Å; E892-R897 PolarHBondContact O-N 3.04Å; E892-R898 HydrophobicContact CB-CB 4.48Å; E892-R898 HydrophobicContact CG-CB 4.3Å; E892-R898 HydrophobicContact CG-CG 4.24Å; E892-R898 PolarHBondContact O-N 3.41Å; E892-R966 IonicContact OE1-CZ 3.17Å; E892-R966 IonicContact OE1-NH1 3.85Å; E892-R966 PolarHBondContact OE1-NH1 3.48Å; E892-R966 IonicContact OE1-NH2 2.8Å; E892-R966 PolarHBondContact OE1-NH2 3.24Å; E892-R966 IonicContact OE2-CZ 3.72Å; E892-R966 IonicContact OE2-NH1 3.31Å; E892-R966 IonicContact OE2-NH2 2.93Å; E892-R966 PolarHBondContact OE2-NH2 2.83Å
893	S	89.7	Confident	86.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-75	-33	174.7	-48.5	0	0	0	0	112	M889 A890 L891 R897 R898 S903	M889-S893 VanDerWaalsContact CE-C 3.48Å; M889-S893 VanDerWaalsContact CE-O 3.32Å; M889-S893 WeakPolarHBondContact CE-O 3.47Å; A890-S893 WeakPolarHBondContact O-CA 3.3Å; A890-S893 WeakPolarHBondContact O-CB 3.46Å; A890-S893 PolarHBondContact O-N 2.84Å; L891-S893 VanDerWaalsContact C-N 3.29Å; L891-S893 PolarHBondContact O-N 3.04Å; S893-R897 WeakPolarHBondContact O-CA 3.38Å; S893-R897 PolarHBondContact O-N 3.4Å; S893-R898 VanDerWaalsContact CA-O 3.25Å; S893-R898 WeakPolarHBondContact CA-O 3.48Å; S893-R898 WeakPolarHBondContact CB-O 3.42Å; S893-R898 PolarHBondContact OG-O 3.2Å; S893-S903 WeakPolarHBondContact OG-CB 3.41Å
894	I	87.8	Confident	88.3	Confident	27 Å²	27	33.6 Å²	33.6	14%	0.138	15%	0.149	C	C	.	.	H	α-helix	trans	-70.2	-54	173.9	-62.3	167.1	0	0	0	110	I886 M889 A890 L891 I931 P932 L935	I886-I894 HydrophobicContact CG2-CD1 3.94Å; I886-I894 HydrophobicContact CG2-CG1 4.22Å; M889-I894 HydrophobicContact CB-CD1 4.11Å; M889-I894 HydrophobicContact CB-CG1 3.68Å; M889-I894 HydrophobicContact CE-CG1 4.17Å; M889-I894 HydrophobicContact SD-CG1 4.42Å; A890-I894 WeakPolarHBondContact O-CG1 3.43Å; A890-I894 PolarHBondContact O-N 2.92Å; L891-I894 PolarHBondContact O-N 2.94Å; I894-I931 HydrophobicContact CD1-CG2 4.35Å; I894-P932 HydrophobicContact CG2-CB 4.06Å; I894-P932 HydrophobicContact CG2-CG 4.2Å; I894-L935 HydrophobicContact CD1-CD1 4.08Å
895	L	85.5	Confident	89.7	Confident	87 Å²	87	32.3 Å²	32.3	46%	0.455	14%	0.141	S	C	.	.	H	α-helix	trans	-79.2	-38.5	-171.2	-64.1	178.6	0	0	0	114.3	L891 P932 E936	L891-L895 HydrophobicContact CD1-CD1 3.73Å; L891-L895 HydrophobicContact CD1-CG 3.87Å; L891-L895 HydrophobicContact CD2-CD1 4.32Å; L891-L895 HydrophobicContact CG-CD1 3.76Å; L891-L895 HydrophobicContact CG-CG 4.23Å; L891-L895 WeakPolarHBondContact O-CB 3.36Å; L891-L895 WeakPolarHBondContact O-CG 3.41Å; L891-L895 PolarHBondContact O-N 3.43Å; L895-P932 HydrophobicContact CD2-CB 4.04Å; L895-E936 WeakPolarHBondContact CD1-OE1 3.35Å
896	R	83.7	Confident	90.4	Very high	179 Å²	179	32 Å²	32	68%	0.675	14%	0.139	S	C	*	.	H	α-helix	trans	-118.1	3	-170.1	-53.4	-177.7	-173	164.7	4.8	113.6	H878 E892 R898	H878-R896 PolarHBondContact ND1-O 2.92Å; E892-R896 WeakPolarHBondContact O-CA 3.48Å; E892-R896 WeakPolarHBondContact O-CB 3.31Å; E892-R896 PolarHBondContact O-N 3.04Å; R896-R898 HydrophobicContact CB-CB 4.35Å; R896-R898 PolarHBondContact O-N 3.41Å; R896-R898 VanDerWaalsContact O-N 3.08Å
897	R	81.6	Confident	90.9	Very high	93 Å²	93	30 Å²	30	35%	0.351	13%	0.129	S	C	.	.			trans	52.1	25.9	-172	-57.1	-60.7	-179.3	146.7	-2.3	113.4	Y877 H878 A879 E892 S893 F899	Y877-R897 VanDerWaalsContact O-O 3.11Å; H878-R897 WeakPolarHBondContact CA-O 3.2Å; A879-R897 HydrophobicContact CB-CB 4.42Å; A879-R897 PolarHBondContact N-O 3.28Å; E892-R897 PolarHBondContact O-N 3.04Å; S893-R897 WeakPolarHBondContact O-CA 3.38Å; S893-R897 PolarHBondContact O-N 3.4Å; R897-F899 WeakPolarHBondContact O-CD2 3.35Å; R897-F899 WeakPolarHBondContact O-CE2 3.5Å
898	R	82.4	Confident	91.2	Very high	56 Å²	56	29.2 Å²	29.2	21%	0.211	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.2	179.1	174	173.9	177	130.8	-2.9	109.6	E876 Y877 E892 S893 R896 T900	E876-R898 HydrophobicContact CB-CG 3.99Å; E876-R898 IonicContact OE1-CZ 4Å; E876-R898 IonicContact OE1-NH1 2.68Å; E876-R898 PolarHBondContact OE1-NH1 3.47Å; E876-R898 WeakPolarHBondContact OE2-CD 3.5Å; E876-R898 IonicContact OE2-CZ 2.77Å; E876-R898 VanDerWaalsContact OE2-CZ 3.28Å; E876-R898 IonicContact OE2-NE 3.27Å; E876-R898 PolarHBondContact OE2-NE 2.98Å; E876-R898 IonicContact OE2-NH1 3.82Å; E876-R898 PolarHBondContact OE2-NH1 3.31Å; Y877-R898 WeakPolarHBondContact O-CA 3.44Å; E892-R898 HydrophobicContact CB-CB 4.48Å; E892-R898 HydrophobicContact CG-CB 4.3Å; E892-R898 HydrophobicContact CG-CG 4.24Å; E892-R898 PolarHBondContact O-N 3.41Å; S893-R898 VanDerWaalsContact CA-O 3.25Å; S893-R898 WeakPolarHBondContact CA-O 3.48Å; S893-R898 WeakPolarHBondContact CB-O 3.42Å; S893-R898 PolarHBondContact OG-O 3.2Å; R896-R898 HydrophobicContact CB-CB 4.35Å; R896-R898 PolarHBondContact O-N 3.41Å; R896-R898 VanDerWaalsContact O-N 3.08Å; R898-T900 HydrophobicContact CG-CG2 4Å
899	F	84.4	Confident	91.4	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.039	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.5	175.8	-65.2	-88.3	0	0	0	110.4	V842 R844 Y877 A879 M889 R897	V842-F899 HydrophobicContact CG1-CB 4.23Å; R844-F899 HydrophobicContact CB-CD1 3.81Å; R844-F899 HydrophobicContact CB-CE1 4.01Å; R844-F899 HydrophobicContact CG-CB 4.09Å; R844-F899 HydrophobicContact CG-CD1 3.6Å; R844-F899 HydrophobicContact CG-CE1 4.26Å; R844-F899 HydrophobicContact CG-CG 3.98Å; Y877-F899 HydrophobicContact CD1-CB 4.44Å; Y877-F899 HydrophobicContact CD1-CD2 4.3Å; Y877-F899 PolarHBondContact N-O 3.43Å; Y877-F899 PolarHBondContact O-N 3.42Å; A879-F899 HydrophobicContact CB-CD2 4Å; A879-F899 HydrophobicContact CB-CE2 3.59Å; M889-F899 HydrophobicContact CE-CE1 4Å; M889-F899 HydrophobicContact CE-CZ 3.77Å; R897-F899 WeakPolarHBondContact O-CD2 3.35Å; R897-F899 WeakPolarHBondContact O-CE2 3.5Å
900	T	89.9	Confident	91.7	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.055	12%	0.118	C	C	.	.			trans	-149.6	166.5	-175.5	70.9	0	0	0	0	109.9	V842 T875 E876 R898 Q902 S903 D904	V842-T900 WeakPolarHBondContact CG1-O 3.46Å; T875-T900 VanDerWaalsContact O-CG2 3.28Å; T875-T900 WeakPolarHBondContact O-CG2 3.32Å; E876-T900 HydrophobicContact CB-CG2 4.1Å; R898-T900 HydrophobicContact CG-CG2 4Å; T900-Q902 PolarHBondContact O-N 2.69Å; T900-Q902 PolarHBondContact OG1-N 2.73Å; T900-Q902 VanDerWaalsContact OG1-N 3.16Å; T900-S903 PolarHBondContact N-OG 3.07Å; T900-S903 PolarHBondContact O-N 3.15Å; T900-S903 PolarHBondContact O-OG 3.29Å; T900-S903 PolarHBondContact OG1-N 3.46Å; T900-D904 PolarHBondContact O-N 3.48Å; T900-D904 VanDerWaalsContact O-N 3.16Å
901	H	92.3	Very high	91.9	Very high	29 Å²	29	27.1 Å²	27.1	13%	0.134	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-32.3	169.3	-56.2	-63.9	0	0	0	112.2	E837 L841 S903 D904 V905	E837-H901 HydrophobicContact CG-CB 4.23Å; L841-H901 PolarHBondContact O-CE1 3.41Å; L841-H901 VanDerWaalsContact O-CE1 3.24Å; L841-H901 PolarHBondContact O-ND1 2.88Å; H901-S903 VanDerWaalsContact C-N 3.3Å; H901-S903 PolarHBondContact O-N 3.33Å; H901-D904 WeakPolarHBondContact O-CB 3.35Å; H901-D904 PolarHBondContact O-N 3.25Å; H901-D904 VanDerWaalsContact O-N 3.11Å; H901-V905 WeakPolarHBondContact O-CG2 3.49Å; H901-V905 PolarHBondContact O-N 2.84Å
902	Q	95.4	Very high	92.1	Very high	34 Å²	34	26.6 Å²	26.6	16%	0.159	12%	0.115	C	C	.	.	H	α-helix	trans	-70.1	-22.9	175.3	-57.1	-60.1	92	0	0	113.3	T900 W906 S963 R966	T900-Q902 PolarHBondContact O-N 2.69Å; T900-Q902 PolarHBondContact OG1-N 2.73Å; T900-Q902 VanDerWaalsContact OG1-N 3.16Å; Q902-W906 PolarHBondContact O-N 2.9Å; Q902-S963 WeakPolarHBondContact CG-O 3.2Å; Q902-S963 PolarHBondContact NE2-O 3.1Å; Q902-R966 PolarHBondContact NE2-O 2.8Å; Q902-R966 WeakPolarHBondContact O-CD 3.41Å; Q902-R966 PolarHBondContact O-NH1 3.48Å
903	S	93.6	Very high	92.4	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-78.6	-29.9	168.8	63.8	0	0	0	0	112.3	S893 T900 H901 V905 W906 S907	S893-S903 WeakPolarHBondContact OG-CB 3.41Å; T900-S903 PolarHBondContact N-OG 3.07Å; T900-S903 PolarHBondContact O-N 3.15Å; T900-S903 PolarHBondContact O-OG 3.29Å; T900-S903 PolarHBondContact OG1-N 3.46Å; H901-S903 VanDerWaalsContact C-N 3.3Å; H901-S903 PolarHBondContact O-N 3.33Å; S903-V905 VanDerWaalsContact C-N 3.35Å; S903-W906 WeakPolarHBondContact O-CB 3.46Å; S903-W906 PolarHBondContact O-N 2.89Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 3.35Å; S903-S907 VanDerWaalsContact O-OG 3.13Å
904	D	95.4	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.3	-33.2	169.7	-74.6	-22.8	0	0	0	111.7	M833 V842 H843 R844 T900 H901 W906 S907 Y908 F969	M833-D904 HydrophobicContact CE-CB 3.7Å; V842-D904 WeakPolarHBondContact CA-OD2 3.35Å; V842-D904 VanDerWaalsContact CG1-OD2 3.31Å; V842-D904 WeakPolarHBondContact CG1-OD2 3.46Å; H843-D904 PolarHBondContact N-OD1 2.78Å; H843-D904 PolarHBondContact N-OD2 3.03Å; R844-D904 PolarHBondContact N-OD1 2.78Å; T900-D904 PolarHBondContact O-N 3.48Å; T900-D904 VanDerWaalsContact O-N 3.16Å; H901-D904 WeakPolarHBondContact O-CB 3.35Å; H901-D904 PolarHBondContact O-N 3.25Å; H901-D904 VanDerWaalsContact O-N 3.11Å; D904-W906 VanDerWaalsContact C-N 3.29Å; D904-W906 PolarHBondContact O-N 3.38Å; D904-S907 CarbonylContact O-C 3.59Å; D904-S907 WeakPolarHBondContact O-CB 3.38Å; D904-S907 PolarHBondContact O-N 3.06Å; D904-Y908 WeakPolarHBondContact O-CB 3.43Å; D904-Y908 PolarHBondContact O-N 3.46Å; D904-F969 HydrophobicContact CB-CE2 3.97Å; D904-F969 HydrophobicContact CB-CZ 3.98Å
905	V	97.9	Very high	93.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.9	-37.9	173	166.9	0	0	0	0	111.7	H901 S903 Y908 G909 C958 R966 P967 F969 L972	H901-V905 WeakPolarHBondContact O-CG2 3.49Å; H901-V905 PolarHBondContact O-N 2.84Å; S903-V905 VanDerWaalsContact C-N 3.35Å; V905-Y908 WeakPolarHBondContact O-CB 3.35Å; V905-Y908 PolarHBondContact O-N 2.97Å; V905-G909 PolarHBondContact O-N 3.05Å; V905-C958 HydrophobicContact CG1-CB 4.07Å; V905-C958 WeakPolarHBondContact O-CB 3.39Å; V905-R966 HydrophobicContact CG1-CB 4.02Å; V905-P967 HydrophobicContact CG1-CG 4.4Å; V905-P967 WeakPolarHBondContact CG1-O 3.38Å; V905-P967 WeakPolarHBondContact CG2-O 3.35Å; V905-F969 HydrophobicContact CB-CZ 4.39Å; V905-F969 HydrophobicContact CG2-CD1 4.49Å; V905-F969 HydrophobicContact CG2-CD2 3.97Å; V905-F969 HydrophobicContact CG2-CE1 4.17Å; V905-F969 HydrophobicContact CG2-CE2 3.61Å; V905-F969 HydrophobicContact CG2-CG 4.4Å; V905-F969 HydrophobicContact CG2-CZ 3.72Å; V905-L972 HydrophobicContact CG1-CD1 4.23Å; V905-L972 HydrophobicContact CG2-CD1 4.43Å
906	W	97.6	Very high	93.6	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-63.8	-48.3	173.4	-179.8	-67.9	0	0	0	111.2	W888 M889 A890 Q902 S903 D904 Y908 G909 V910 L935 C958 W959	W888-W906 VanDerWaalsContact O-CD1 3.32Å; M889-W906 PolarHBondContact O-NE1 3.12Å; A890-W906 HydrophobicContact CB-CB 3.73Å; A890-W906 HydrophobicContact CB-CD2 3.93Å; A890-W906 HydrophobicContact CB-CE3 4.18Å; A890-W906 HydrophobicContact CB-CG 3.73Å; Q902-W906 PolarHBondContact O-N 2.9Å; S903-W906 WeakPolarHBondContact O-CB 3.46Å; S903-W906 PolarHBondContact O-N 2.89Å; D904-W906 VanDerWaalsContact C-N 3.29Å; D904-W906 PolarHBondContact O-N 3.38Å; W906-Y908 VanDerWaalsContact C-N 3.26Å; W906-Y908 PolarHBondContact O-N 2.87Å; W906-G909 WeakPolarHBondContact O-CA 3.49Å; W906-G909 PolarHBondContact O-N 2.98Å; W906-V910 PolarHBondContact O-N 2.81Å; W906-L935 HydrophobicContact CH2-CD1 4.2Å; W906-L935 HydrophobicContact CH2-CD2 4.01Å; W906-L935 HydrophobicContact CZ2-CD1 3.63Å; W906-L935 HydrophobicContact CZ2-CD2 3.61Å; W906-L935 HydrophobicContact CZ2-CG 4.18Å; W906-C958 WeakPolarHBondContact CA-O 3.31Å; W906-W959 HydrophobicContact CD2-CB 4.43Å; W906-W959 AromaticContact CD2-CD1 3.77Å; W906-W959 HydrophobicContact CD2-CG 4.47Å; W906-W959 AromaticContact CE2-CD1 3.88Å; W906-W959 HydrophobicContact CE3-CB 4.19Å; W906-W959 AromaticContact CG-CD1 3.86Å; W906-W959 HydrophobicContact CH2-CB 4.26Å; W906-W959 HydrophobicContact CZ2-CB 4.49Å; W906-W959 HydrophobicContact CZ3-CB 4.11Å; W906-W959 VanDerWaalsContact CZ3-O 3.31Å; W906-W959 WeakPolarHBondContact CZ3-O 3.47Å; W906-W959 PolarHBondContact O-NE1 3.18Å
907	S	96.8	Very high	94.1	Very high	6 Å²	6	14.2 Å²	14.2	4%	0.042	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-35.6	175.6	-51.3	0	0	0	0	112.1	L846 W888 S903 D904 V910 T911	L846-S907 WeakPolarHBondContact O-CB 3.42Å; W888-S907 WeakPolarHBondContact O-CA 3.38Å; W888-S907 PolarHBondContact O-OG 3.34Å; S903-S907 PolarHBondContact O-N 3.48Å; S903-S907 PolarHBondContact O-OG 3.35Å; S903-S907 VanDerWaalsContact O-OG 3.13Å; D904-S907 CarbonylContact O-C 3.59Å; D904-S907 WeakPolarHBondContact O-CB 3.38Å; D904-S907 PolarHBondContact O-N 3.06Å; S907-V910 PolarHBondContact O-N 3.43Å; S907-T911 WeakPolarHBondContact O-CB 3.41Å; S907-T911 PolarHBondContact O-N 2.86Å; S907-T911 PolarHBondContact O-OG1 2.94Å
908	Y	98.1	Very high	94.7	Very high	1 Å²	1	10.8 Å²	10.8	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-64.1	-44.9	171.4	175.1	-92.5	0	0	0	111.4	C826 I829 A830 L846 D904 V905 W906 V910 T911 V912 F969 L972 F976	C826-Y908 PolarHBondContact O-OH 2.91Å; I829-Y908 HydrophobicContact CB-CE2 4.15Å; I829-Y908 HydrophobicContact CG2-CD2 3.81Å; I829-Y908 HydrophobicContact CG2-CE2 3.87Å; A830-Y908 HydrophobicContact CB-CE2 3.98Å; L846-Y908 HydrophobicContact CD2-CD2 4.26Å; D904-Y908 WeakPolarHBondContact O-CB 3.43Å; D904-Y908 PolarHBondContact O-N 3.46Å; V905-Y908 WeakPolarHBondContact O-CB 3.35Å; V905-Y908 PolarHBondContact O-N 2.97Å; W906-Y908 VanDerWaalsContact C-N 3.26Å; W906-Y908 PolarHBondContact O-N 2.87Å; Y908-V910 VanDerWaalsContact C-N 3.28Å; Y908-V910 PolarHBondContact O-N 3.03Å; Y908-T911 CarbonylContact O-C 3.52Å; Y908-T911 WeakPolarHBondContact O-CA 3.4Å; Y908-T911 WeakPolarHBondContact O-CB 3.42Å; Y908-T911 PolarHBondContact O-N 2.88Å; Y908-V912 HydrophobicContact CD1-CG2 4.01Å; Y908-V912 HydrophobicContact CE1-CG2 3.47Å; Y908-V912 VanDerWaalsContact CE1-CG2 3.47Å; Y908-V912 HydrophobicContact CE2-CG2 4.07Å; Y908-V912 HydrophobicContact CG-CG2 4.5Å; Y908-V912 VanDerWaalsContact CZ-CG2 3.5Å; Y908-V912 WeakPolarHBondContact O-CG2 3.43Å; Y908-V912 PolarHBondContact O-N 3.31Å; Y908-F969 HydrophobicContact CD1-CE1 4.49Å; Y908-F969 HydrophobicContact CD2-CE1 4.04Å; Y908-F969 AromaticContact CG-CE1 3.83Å; Y908-F969 HydrophobicContact CG-CE1 3.83Å; Y908-L972 HydrophobicContact CD1-CD1 3.74Å; Y908-L972 HydrophobicContact CE1-CB 4.41Å; Y908-L972 HydrophobicContact CE1-CD1 3.89Å; Y908-L972 HydrophobicContact CE1-CD2 4.15Å; Y908-L972 HydrophobicContact CE1-CG 4.39Å; Y908-F976 HydrophobicContact CE1-CD2 4.42Å; Y908-F976 AromaticContact CE1-CE2 3.84Å; Y908-F976 HydrophobicContact CE1-CE2 3.84Å; Y908-F976 AromaticContact CZ-CE2 3.95Å; Y908-F976 WeakPolarHBondContact OH-CD2 3.5Å; Y908-F976 WeakPolarHBondContact OH-CE2 3.32Å
909	G	97.8	Very high	95.1	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-54.9	-43.6	173.2	0	0	0	0	0	112.4	V905 W906 V912 W913 W959	V905-G909 PolarHBondContact O-N 3.05Å; W906-G909 WeakPolarHBondContact O-CA 3.49Å; W906-G909 PolarHBondContact O-N 2.98Å; G909-V912 PolarHBondContact O-N 2.84Å; G909-W913 PolarHBondContact O-N 3.35Å; G909-W913 VanDerWaalsContact O-N 3.1Å; G909-W959 VanDerWaalsContact C-CZ2 3.48Å; G909-W959 WeakPolarHBondContact O-CZ2 3.4Å
910	V	97.8	Very high	95.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.7	-39.5	174	-177.4	0	0	0	0	111.6	W888 W906 S907 Y908 W913 E914 P922 L941 W959	W888-V910 VanDerWaalsContact CD1-CG1 3.47Å; W888-V910 HydrophobicContact CG-CG1 4.01Å; W906-V910 PolarHBondContact O-N 2.81Å; S907-V910 PolarHBondContact O-N 3.43Å; Y908-V910 VanDerWaalsContact C-N 3.28Å; Y908-V910 PolarHBondContact O-N 3.03Å; V910-W913 CarbonylContact O-C 3.58Å; V910-W913 WeakPolarHBondContact O-CA 3.49Å; V910-W913 WeakPolarHBondContact O-CB 3.24Å; V910-W913 PolarHBondContact O-N 3.02Å; V910-W913 VanDerWaalsContact O-N 3.15Å; V910-E914 PolarHBondContact O-N 3.37Å; V910-P922 HydrophobicContact CG1-CB 3.79Å; V910-P922 HydrophobicContact CG1-CG 3.47Å; V910-P922 VanDerWaalsContact CG1-CG 3.47Å; V910-L941 HydrophobicContact CG1-CD1 4.1Å; V910-L941 HydrophobicContact CG2-CD1 4.21Å; V910-W959 HydrophobicContact CG2-CZ2 4.34Å
911	T	97.5	Very high	95.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-41.8	176.7	-56.8	0	0	0	0	112.1	I829 L846 A847 A848 S907 Y908 W913 E914 L915	I829-T911 HydrophobicContact CD1-CG2 4.2Å; L846-T911 PolarHBondContact O-OG1 2.85Å; A847-T911 WeakPolarHBondContact CA-OG1 3.46Å; A848-T911 HydrophobicContact CB-CG2 4.46Å; S907-T911 WeakPolarHBondContact O-CB 3.41Å; S907-T911 PolarHBondContact O-N 2.86Å; S907-T911 PolarHBondContact O-OG1 2.94Å; Y908-T911 CarbonylContact O-C 3.52Å; Y908-T911 WeakPolarHBondContact O-CA 3.4Å; Y908-T911 WeakPolarHBondContact O-CB 3.42Å; Y908-T911 PolarHBondContact O-N 2.88Å; T911-W913 VanDerWaalsContact C-N 3.29Å; T911-W913 PolarHBondContact O-N 3.33Å; T911-E914 WeakPolarHBondContact O-CB 3.44Å; T911-E914 PolarHBondContact O-N 2.84Å; T911-L915 WeakPolarHBondContact O-CG 3.47Å; T911-L915 PolarHBondContact O-N 3.41Å
912	V	97.8	Very high	95.6	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.018	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-38.6	173.5	179.6	0	0	0	0	110.3	C826 Y908 G909 L915 M916 M955 F976	C826-V912 HydrophobicContact CB-CG2 4.49Å; Y908-V912 HydrophobicContact CD1-CG2 4.01Å; Y908-V912 HydrophobicContact CE1-CG2 3.47Å; Y908-V912 VanDerWaalsContact CE1-CG2 3.47Å; Y908-V912 HydrophobicContact CE2-CG2 4.07Å; Y908-V912 HydrophobicContact CG-CG2 4.5Å; Y908-V912 VanDerWaalsContact CZ-CG2 3.5Å; Y908-V912 WeakPolarHBondContact O-CG2 3.43Å; Y908-V912 PolarHBondContact O-N 3.31Å; G909-V912 PolarHBondContact O-N 2.84Å; V912-L915 PolarHBondContact O-N 3.32Å; V912-M916 HydrophobicContact CG1-CE 4.4Å; V912-M916 HydrophobicContact CG1-CG 4.15Å; V912-M916 WeakPolarHBondContact O-CB 3.44Å; V912-M916 WeakPolarHBondContact O-CG 3.48Å; V912-M916 PolarHBondContact O-N 3.41Å; V912-M955 HydrophobicContact CB-CE 4.42Å; V912-M955 HydrophobicContact CG1-CE 3.65Å; V912-M955 HydrophobicContact CG1-CG 4.43Å; V912-F976 HydrophobicContact CG1-CE1 4.34Å; V912-F976 HydrophobicContact CG1-CZ 3.96Å; V912-F976 HydrophobicContact CG2-CE2 4.49Å; V912-F976 HydrophobicContact CG2-CZ 4.15Å
913	W	97.8	Very high	95.5	Very high	20 Å²	20	11 Å²	11	8%	0.076	6%	0.06	C	C	.	.	H	α-helix	trans	-64.4	-39.9	174	-172.7	95.1	0	0	0	112.8	G909 V910 T911 L915 M916 T917 A920 P922 L941 P942 P944 M955 W959	G909-W913 PolarHBondContact O-N 3.35Å; G909-W913 VanDerWaalsContact O-N 3.1Å; V910-W913 CarbonylContact O-C 3.58Å; V910-W913 WeakPolarHBondContact O-CA 3.49Å; V910-W913 WeakPolarHBondContact O-CB 3.24Å; V910-W913 PolarHBondContact O-N 3.02Å; V910-W913 VanDerWaalsContact O-N 3.15Å; T911-W913 VanDerWaalsContact C-N 3.29Å; T911-W913 PolarHBondContact O-N 3.33Å; W913-L915 PolarHBondContact O-N 3.36Å; W913-M916 PolarHBondContact O-N 3.41Å; W913-T917 HydrophobicContact CD2-CG2 3.91Å; W913-T917 HydrophobicContact CE3-CG2 4.19Å; W913-T917 HydrophobicContact CH2-CG2 4.1Å; W913-T917 HydrophobicContact CZ2-CG2 3.8Å; W913-T917 HydrophobicContact CZ3-CG2 4.27Å; W913-T917 WeakPolarHBondContact O-CB 3.48Å; W913-T917 WeakPolarHBondContact O-CG2 3.39Å; W913-T917 PolarHBondContact O-N 3.38Å; W913-T917 PolarHBondContact O-OG1 3.29Å; W913-A920 HydrophobicContact CH2-CB 4Å; W913-A920 HydrophobicContact CZ3-CB 4.04Å; W913-P922 HydrophobicContact CE3-CG 4.27Å; W913-P922 HydrophobicContact CZ3-CB 4.43Å; W913-P922 HydrophobicContact CZ3-CG 4.22Å; W913-L941 HydrophobicContact CB-CD1 4.15Å; W913-L941 HydrophobicContact CD2-CB 4.16Å; W913-L941 HydrophobicContact CD2-CD1 3.8Å; W913-L941 HydrophobicContact CD2-CG 4.38Å; W913-L941 HydrophobicContact CE3-CD1 4.06Å; W913-L941 HydrophobicContact CG-CB 4.11Å; W913-L941 HydrophobicContact CG-CD1 3.84Å; W913-L941 HydrophobicContact CH2-CD2 4.42Å; W913-L941 HydrophobicContact CZ2-CB 4.44Å; W913-L941 HydrophobicContact CZ2-CD2 4.29Å; W913-P942 PolarHBondContact NE1-O 3.02Å; W913-P944 HydrophobicContact CG-CG 4.33Å; W913-M955 HydrophobicContact CB-SD 4.4Å; W913-W959 HydrophobicContact CB-CH2 4.17Å; W913-W959 HydrophobicContact CB-CZ2 4.19Å; W913-W959 HydrophobicContact CG-CH2 4.34Å
914	E	97.2	Very high	95.3	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-58.2	-45.9	172.2	-71.7	-177.8	105.4	0	0	111.3	A848 W888 V910 T911 T917 F918 G919 P922	A848-E914 HydrophobicContact CB-CB 3.87Å; A848-E914 HydrophobicContact CB-CG 4.44Å; A848-E914 PolarHBondContact N-OE2 2.99Å; W888-E914 WeakPolarHBondContact CZ2-OE1 3.43Å; W888-E914 VanDerWaalsContact NE1-CD 3.25Å; W888-E914 PolarHBondContact NE1-OE2 3.08Å; V910-E914 PolarHBondContact O-N 3.37Å; T911-E914 WeakPolarHBondContact O-CB 3.44Å; T911-E914 PolarHBondContact O-N 2.84Å; E914-T917 PolarHBondContact O-N 2.79Å; E914-T917 PolarHBondContact O-OG1 3.01Å; E914-T917 VanDerWaalsContact O-OG1 3.14Å; E914-F918 PolarHBondContact O-N 3.45Å; E914-G919 WeakPolarHBondContact O-CA 3.48Å; E914-G919 PolarHBondContact O-N 3.4Å; E914-P922 HydrophobicContact CG-CG 3.94Å
915	L	95.8	Very high	94.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64	-47.9	178.3	-63.8	177.6	0	0	0	111.9	L806 V810 L822 W825 I829 T911 V912 W913 T917 F918	L806-L915 HydrophobicContact CD1-CD2 4.37Å; L806-L915 HydrophobicContact CD2-CD1 4.3Å; L806-L915 HydrophobicContact CD2-CD2 3.56Å; L806-L915 HydrophobicContact CG-CD2 3.67Å; V810-L915 HydrophobicContact CG1-CD2 3.96Å; L822-L915 HydrophobicContact CD2-CB 4.44Å; W825-L915 HydrophobicContact CB-CD1 4.33Å; I829-L915 HydrophobicContact CD1-CD1 3.98Å; T911-L915 WeakPolarHBondContact O-CG 3.47Å; T911-L915 PolarHBondContact O-N 3.41Å; V912-L915 PolarHBondContact O-N 3.32Å; W913-L915 PolarHBondContact O-N 3.36Å; L915-T917 PolarHBondContact O-N 3.21Å; L915-F918 PolarHBondContact O-N 3.5Å
916	M	94.9	Very high	94.2	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-72.6	-7.6	-177.5	-62.7	-64.9	172.8	0	0	113.7	L822 L823 V912 W913 P944 I946 C947 V951 M955 V987	L822-M916 HydrophobicContact CB-CE 4.09Å; L822-M916 HydrophobicContact CB-SD 4.23Å; L822-M916 HydrophobicContact CD1-SD 4.08Å; L823-M916 HydrophobicContact CD2-CE 3.87Å; L823-M916 HydrophobicContact CG-CE 4.36Å; V912-M916 HydrophobicContact CG1-CE 4.4Å; V912-M916 HydrophobicContact CG1-CG 4.15Å; V912-M916 WeakPolarHBondContact O-CB 3.44Å; V912-M916 WeakPolarHBondContact O-CG 3.48Å; V912-M916 PolarHBondContact O-N 3.41Å; W913-M916 PolarHBondContact O-N 3.41Å; M916-P944 HydrophobicContact CB-CB 3.88Å; M916-P944 HydrophobicContact CB-CG 3.85Å; M916-P944 WeakPolarHBondContact O-CB 3.49Å; M916-I946 WeakPolarHBondContact O-CD1 3.48Å; M916-I946 VanDerWaalsContact O-CG1 3.3Å; M916-I946 WeakPolarHBondContact O-CG1 3.49Å; M916-I946 HydrophobicContact SD-CD1 4.27Å; M916-C947 VanDerWaalsContact CB-SG 3.53Å; M916-C947 WeakPolarHBondContact CG-SG 3.42Å; M916-V951 HydrophobicContact CE-CG1 4.37Å; M916-M955 HydrophobicContact CB-CE 4Å; M916-M955 HydrophobicContact CG-CE 3.79Å; M916-V987 HydrophobicContact CE-CG2 3.85Å; M916-V987 HydrophobicContact SD-CG1 4.24Å; M916-V987 HydrophobicContact SD-CG2 3.75Å
917	T	94.4	Very high	93.4	Very high	29 Å²	29	23.7 Å²	23.7	18%	0.178	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.9	170.8	56.1	0	0	0	0	113.3	W913 E914 L915 G919 A920 P944	W913-T917 HydrophobicContact CD2-CG2 3.91Å; W913-T917 HydrophobicContact CE3-CG2 4.19Å; W913-T917 HydrophobicContact CH2-CG2 4.1Å; W913-T917 HydrophobicContact CZ2-CG2 3.8Å; W913-T917 HydrophobicContact CZ3-CG2 4.27Å; W913-T917 WeakPolarHBondContact O-CB 3.48Å; W913-T917 WeakPolarHBondContact O-CG2 3.39Å; W913-T917 PolarHBondContact O-N 3.38Å; W913-T917 PolarHBondContact O-OG1 3.29Å; E914-T917 PolarHBondContact O-N 2.79Å; E914-T917 PolarHBondContact O-OG1 3.01Å; E914-T917 VanDerWaalsContact O-OG1 3.14Å; L915-T917 PolarHBondContact O-N 3.21Å; T917-G919 VanDerWaalsContact C-N 3.29Å; T917-G919 PolarHBondContact O-N 3.38Å; T917-A920 HydrophobicContact CG2-CB 4.39Å; T917-A920 WeakPolarHBondContact OG1-CB 3.4Å; T917-A920 PolarHBondContact OG1-N 3.17Å; T917-P944 HydrophobicContact CG2-CB 3.98Å; T917-P944 HydrophobicContact CG2-CG 4.02Å
918	F	93.4	Very high	92.3	Very high	22 Å²	22	24.1 Å²	24.1	10%	0.096	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	40.1	-173.3	-54.2	-87.3	0	0	0	113.2	R811 R814 L817 L822 E914 L915 I946 I989	R811-F918 WeakPolarHBondContact CG-O 3.39Å; R814-F918 HydrophobicContact CB-CB 4.28Å; R814-F918 HydrophobicContact CB-CD1 4.09Å; R814-F918 HydrophobicContact CB-CG 4.29Å; R814-F918 HydrophobicContact CG-CB 3.88Å; R814-F918 HydrophobicContact CG-CD1 3.73Å; R814-F918 HydrophobicContact CG-CD2 4.08Å; R814-F918 HydrophobicContact CG-CE1 4.24Å; R814-F918 HydrophobicContact CG-CG 3.63Å; L817-F918 HydrophobicContact CB-CE1 4.42Å; L822-F918 HydrophobicContact CD1-CE1 4.29Å; L822-F918 HydrophobicContact CD1-CZ 4.34Å; E914-F918 PolarHBondContact O-N 3.45Å; L915-F918 PolarHBondContact O-N 3.5Å; F918-I946 HydrophobicContact CE2-CD1 3.79Å; F918-I946 HydrophobicContact CE2-CG2 4.36Å; F918-I946 HydrophobicContact CZ-CD1 3.93Å; F918-I989 HydrophobicContact CZ-CD1 4.1Å
919	G	91.8	Very high	91.5	Very high	6 Å²	6	32.9 Å²	32.9	6%	0.062	18%	0.184	C	C	.	.	S	Bend	trans	85.3	33.3	174	0	0	0	0	0	115.1	L807 R811 E914 T917	L807-G919 VanDerWaalsContact CD1-CA 3.46Å; R811-G919 PolarHBondContact NE-O 2.94Å; R811-G919 PolarHBondContact NH2-O 3.21Å; E914-G919 WeakPolarHBondContact O-CA 3.48Å; E914-G919 PolarHBondContact O-N 3.4Å; T917-G919 VanDerWaalsContact C-N 3.29Å; T917-G919 PolarHBondContact O-N 3.38Å
920	A	93.3	Very high	90.9	Very high	40 Å²	40	36.4 Å²	36.4	33%	0.331	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-66.8	157	168.5	0	0	0	0	0	111.1	W913 T917 P922	W913-A920 HydrophobicContact CH2-CB 4Å; W913-A920 HydrophobicContact CZ3-CB 4.04Å; T917-A920 HydrophobicContact CG2-CB 4.39Å; T917-A920 WeakPolarHBondContact OG1-CB 3.4Å; T917-A920 PolarHBondContact OG1-N 3.17Å; A920-P922 WeakPolarHBondContact O-CD 3.31Å
921	K	90.9	Very high	90.5	Very high	78 Å²	78	36.4 Å²	36.4	34%	0.339	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-78.6	126.6	177.6	-68.3	176.9	-178	177.2	0	110.2	Y923 D924 N1245	K921-Y923 PolarHBondContact O-N 3.47Å; K921-D924 HydrophobicContact CB-CB 3.88Å; K921-D924 VanDerWaalsContact CD-OD1 3.31Å; K921-D924 WeakPolarHBondContact CD-OD1 3.18Å; K921-D924 PolarHBondContact O-N 3.13Å; K921-N1245 PolarHBondContact NZ-OD1 2.82Å
922	P	93.3	Very high	90	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	132.1	170.4	-24.4	35.5	0	0	0	111.1	K887 W888 V910 W913 E914 A920 D924 L941	K887-P922 WeakPolarHBondContact CD-O 3.34Å; W888-P922 HydrophobicContact CZ2-CG 3.87Å; V910-P922 HydrophobicContact CG1-CB 3.79Å; V910-P922 HydrophobicContact CG1-CG 3.47Å; V910-P922 VanDerWaalsContact CG1-CG 3.47Å; W913-P922 HydrophobicContact CE3-CG 4.27Å; W913-P922 HydrophobicContact CZ3-CB 4.43Å; W913-P922 HydrophobicContact CZ3-CG 4.22Å; E914-P922 HydrophobicContact CG-CG 3.94Å; A920-P922 WeakPolarHBondContact O-CD 3.31Å; P922-D924 VanDerWaalsContact C-N 3.31Å; P922-D924 PolarHBondContact O-N 2.93Å; P922-L941 HydrophobicContact CB-CD1 4.12Å; P922-L941 HydrophobicContact CB-CD2 4.13Å
923	Y	92	Very high	89.5	Confident	15 Å²	15	41.6 Å²	41.6	6%	0.059	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	47.4	-178.1	-51.4	-78.5	0	0	0	112.8	K887 K921 I926 I931 L934 L935 L941	K887-Y923 HydrophobicContact CB-CD2 4.48Å; K887-Y923 VanDerWaalsContact CE-O 3.3Å; K887-Y923 WeakPolarHBondContact CE-O 3.09Å; K887-Y923 HydrophobicContact CG-CD2 4.43Å; K887-Y923 PolarHBondContact NZ-O 2.82Å; K921-Y923 PolarHBondContact O-N 3.47Å; Y923-I926 HydrophobicContact CD1-CD1 4.46Å; Y923-I926 WeakPolarHBondContact O-CB 3.41Å; Y923-I926 PolarHBondContact O-N 2.72Å; Y923-I931 HydrophobicContact CD1-CD1 4.31Å; Y923-I931 HydrophobicContact CD2-CD1 4.06Å; Y923-I931 HydrophobicContact CG-CD1 3.72Å; Y923-L934 HydrophobicContact CD1-CD2 4.1Å; Y923-L934 HydrophobicContact CE1-CD2 3.71Å; Y923-L935 WeakPolarHBondContact OH-CD2 3.01Å; Y923-L941 HydrophobicContact CD1-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CG 4.42Å; Y923-L941 HydrophobicContact CE1-CD2 3.71Å; Y923-L941 HydrophobicContact CE1-CG 4Å; Y923-L941 HydrophobicContact CE2-CD1 4.24Å; Y923-L941 HydrophobicContact CE2-CD2 3.71Å; Y923-L941 HydrophobicContact CE2-CG 3.85Å; Y923-L941 HydrophobicContact CG-CD2 3.8Å
924	D	89.3	Confident	89.2	Confident	99 Å²	99	42.1 Å²	42.1	53%	0.529	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	146.3	-178.7	-152.3	1.9	0	0	0	112.2	K921 P922 I926	K921-D924 HydrophobicContact CB-CB 3.88Å; K921-D924 VanDerWaalsContact CD-OD1 3.31Å; K921-D924 WeakPolarHBondContact CD-OD1 3.18Å; K921-D924 PolarHBondContact O-N 3.13Å; P922-D924 VanDerWaalsContact C-N 3.31Å; P922-D924 PolarHBondContact O-N 2.93Å; D924-I926 PolarHBondContact O-N 3.11Å
925	G	85.6	Confident	89	Confident	71 Å²	71	42 Å²	42	73%	0.732	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	-16.5	-172.9	0	0	0	0	0	116.2
926	I	86.3	Confident	88.7	Confident	52 Å²	52	47.8 Å²	47.8	27%	0.267	26%	0.259	S	S	.	.	S	Bend	trans	-87.9	124.2	179.9	-56.3	175	0	0	0	109.5	K887 Y923 D924 E930 I931 L934	K887-I926 WeakPolarHBondContact CE-O 3.47Å; K887-I926 PolarHBondContact NZ-O 3.1Å; Y923-I926 HydrophobicContact CD1-CD1 4.46Å; Y923-I926 WeakPolarHBondContact O-CB 3.41Å; Y923-I926 PolarHBondContact O-N 2.72Å; D924-I926 PolarHBondContact O-N 3.11Å; I926-E930 HydrophobicContact CG2-CB 4.25Å; I926-I931 HydrophobicContact CB-CD1 4.31Å; I926-I931 HydrophobicContact CG2-CD1 3.82Å; I926-L934 HydrophobicContact CD1-CD1 3.61Å; I926-L934 HydrophobicContact CG2-CD1 4.45Å
927	P	78.9	Confident	88.4	Confident	50 Å²	50	55 Å²	55	33%	0.325	29%	0.291	S	S	.	.			trans	-63.3	136.7	177.9	-24	35.3	0	0	0	112.4	R929 E930	P927-R929 HydrophobicContact CB-CG 4.28Å; P927-R929 PolarHBondContact O-N 3.16Å; P927-E930 PolarHBondContact O-N 2.99Å
928	A	75.5	Confident	88.2	Confident	15 Å²	15	56 Å²	56	12%	0.124	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-49.1	-30.2	-179.5	0	0	0	0	0	115.4	I886 E930 I931 E1247	I886-A928 HydrophobicContact CB-CB 4.3Å; I886-A928 HydrophobicContact CD1-CB 4.24Å; I886-A928 WeakPolarHBondContact CG2-O 3.35Å; A928-E930 VanDerWaalsContact C-N 3.31Å; A928-E930 PolarHBondContact O-N 3.38Å; A928-I931 WeakPolarHBondContact O-CG1 3.42Å; A928-E1247 PolarHBondContact N-OE2 2.94Å
929	R	79.6	Confident	88.1	Confident	185 Å²	185	60.7 Å²	60.7	70%	0.698	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.5	177.4	78.1	-168.1	177.1	176.2	-0.2	114.5	P927	P927-R929 HydrophobicContact CB-CG 4.28Å; P927-R929 PolarHBondContact O-N 3.16Å
930	E	86.6	Confident	88.2	Confident	74 Å²	74	62.6 Å²	62.6	35%	0.346	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-95.1	-7.5	-175.9	-76.9	151.4	-126.8	0	0	112.5	I926 P927 A928 L934	I926-E930 HydrophobicContact CG2-CB 4.25Å; P927-E930 PolarHBondContact O-N 2.99Å; A928-E930 VanDerWaalsContact C-N 3.31Å; A928-E930 PolarHBondContact O-N 3.38Å; E930-L934 WeakPolarHBondContact O-CB 3.42Å; E930-L934 PolarHBondContact O-N 3.16Å; E930-L934 VanDerWaalsContact O-N 3.16Å
931	I	88.4	Confident	88.3	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-47.6	176.5	-57.3	-62.9	0	0	0	113.6	I886 K887 I894 Y923 I926 A928 D933 L934 L935	I886-I931 HydrophobicContact CG2-CB 4.12Å; I886-I931 HydrophobicContact CG2-CG1 4.45Å; I886-I931 HydrophobicContact CG2-CG2 4.33Å; K887-I931 HydrophobicContact CG-CD1 4.1Å; K887-I931 HydrophobicContact CG-CG1 4.09Å; I894-I931 HydrophobicContact CD1-CG2 4.35Å; Y923-I931 HydrophobicContact CD1-CD1 4.31Å; Y923-I931 HydrophobicContact CD2-CD1 4.06Å; Y923-I931 HydrophobicContact CG-CD1 3.72Å; I926-I931 HydrophobicContact CB-CD1 4.31Å; I926-I931 HydrophobicContact CG2-CD1 3.82Å; A928-I931 WeakPolarHBondContact O-CG1 3.42Å; I931-D933 PolarHBondContact O-N 3.05Å; I931-L934 WeakPolarHBondContact O-CB 3.1Å; I931-L934 PolarHBondContact O-N 2.68Å; I931-L934 VanDerWaalsContact O-N 3.14Å; I931-L935 HydrophobicContact CG2-CD1 3.74Å; I931-L935 HydrophobicContact CG2-CG 4.05Å; I931-L935 VanDerWaalsContact O-CG 3.31Å; I931-L935 WeakPolarHBondContact O-CG 3.44Å; I931-L935 PolarHBondContact O-N 2.94Å
932	P	87.2	Confident	88.5	Confident	18 Å²	18	61.3 Å²	61.3	12%	0.117	33%	0.33	C	S	.	.	H	α-helix	trans	-58.6	-48	178.2	19.3	-30.9	0	0	0	112.7	L891 I894 L895 L934 L935 E936	L891-P932 HydrophobicContact CD1-CB 4.11Å; I894-P932 HydrophobicContact CG2-CB 4.06Å; I894-P932 HydrophobicContact CG2-CG 4.2Å; L895-P932 HydrophobicContact CD2-CB 4.04Å; P932-L934 PolarHBondContact O-N 2.75Å; P932-L935 PolarHBondContact O-N 3.3Å; P932-E936 PolarHBondContact O-N 3.17Å
933	D	87.7	Confident	88.6	Confident	93 Å²	93	64.8 Å²	64.8	50%	0.497	35%	0.347	S	S	.	.	H	α-helix	trans	-58	-29.5	175.8	-75.2	27.5	0	0	0	113.4	I931 K937	I931-D933 PolarHBondContact O-N 3.05Å; D933-K937 VanDerWaalsContact O-CD 3.25Å; D933-K937 WeakPolarHBondContact O-CD 3.34Å; D933-K937 VanDerWaalsContact O-CE 3.25Å; D933-K937 WeakPolarHBondContact O-CE 3.28Å; D933-K937 VanDerWaalsContact O-CG 3.27Å; D933-K937 WeakPolarHBondContact O-CG 3.35Å; D933-K937 PolarHBondContact O-NZ 3.24Å
934	L	91.2	Very high	88.8	Confident	31 Å²	31	64.2 Å²	64.2	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-77.9	-48.4	176.9	179.7	153.2	0	0	0	110.2	Y923 I926 E930 I931 P932 E936 K937 E939	Y923-L934 HydrophobicContact CD1-CD2 4.1Å; Y923-L934 HydrophobicContact CE1-CD2 3.71Å; I926-L934 HydrophobicContact CD1-CD1 3.61Å; I926-L934 HydrophobicContact CG2-CD1 4.45Å; E930-L934 WeakPolarHBondContact O-CB 3.42Å; E930-L934 PolarHBondContact O-N 3.16Å; E930-L934 VanDerWaalsContact O-N 3.16Å; I931-L934 WeakPolarHBondContact O-CB 3.1Å; I931-L934 PolarHBondContact O-N 2.68Å; I931-L934 VanDerWaalsContact O-N 3.14Å; P932-L934 PolarHBondContact O-N 2.75Å; L934-E936 PolarHBondContact O-N 2.83Å; L934-K937 WeakPolarHBondContact O-CB 3.31Å; L934-K937 PolarHBondContact O-N 3.49Å; L934-K937 VanDerWaalsContact O-N 3.13Å; L934-E939 HydrophobicContact CD2-CB 3.47Å; L934-E939 VanDerWaalsContact CD2-CB 3.47Å; L934-E939 HydrophobicContact CG-CB 3.63Å; L934-E939 HydrophobicContact CG-CG 4.24Å; L934-E939 WeakPolarHBondContact O-CB 3.28Å; L934-E939 PolarHBondContact O-N 2.91Å
935	L	92.2	Very high	88.8	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-63.9	-37.6	-179.5	-68.3	178.5	0	0	0	112.8	L891 I894 W906 Y923 I931 P932 K937 G938 R940	L891-L935 HydrophobicContact CD1-CB 4.12Å; L891-L935 HydrophobicContact CD1-CD1 4.49Å; I894-L935 HydrophobicContact CD1-CD1 4.08Å; W906-L935 HydrophobicContact CH2-CD1 4.2Å; W906-L935 HydrophobicContact CH2-CD2 4.01Å; W906-L935 HydrophobicContact CZ2-CD1 3.63Å; W906-L935 HydrophobicContact CZ2-CD2 3.61Å; W906-L935 HydrophobicContact CZ2-CG 4.18Å; Y923-L935 WeakPolarHBondContact OH-CD2 3.01Å; I931-L935 HydrophobicContact CG2-CD1 3.74Å; I931-L935 HydrophobicContact CG2-CG 4.05Å; I931-L935 VanDerWaalsContact O-CG 3.31Å; I931-L935 WeakPolarHBondContact O-CG 3.44Å; I931-L935 PolarHBondContact O-N 2.94Å; P932-L935 PolarHBondContact O-N 3.3Å; L935-K937 VanDerWaalsContact C-N 3.27Å; L935-K937 PolarHBondContact O-N 2.98Å; L935-G938 PolarHBondContact O-N 3.42Å; L935-G938 VanDerWaalsContact O-N 3.11Å; L935-R940 PolarHBondContact O-NH1 3.39Å
936	E	89.6	Confident	89.1	Confident	120 Å²	120	63.7 Å²	63.7	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-62	-30.8	174	-79.8	-170.5	176.7	0	0	113.1	L891 L895 P932 L934 G938	L891-E936 HydrophobicContact CD1-CG 4.24Å; L891-E936 HydrophobicContact CD2-CG 3.76Å; L895-E936 WeakPolarHBondContact CD1-OE1 3.35Å; P932-E936 PolarHBondContact O-N 3.17Å; L934-E936 PolarHBondContact O-N 2.83Å; E936-G938 PolarHBondContact O-N 3.18Å
937	K	90.4	Very high	89.4	Confident	154 Å²	154	61.6 Å²	61.6	67%	0.67	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.7	176	-66.6	168.6	-169	118.4	0	113.3	D933 L934 L935 E939	D933-K937 VanDerWaalsContact O-CD 3.25Å; D933-K937 WeakPolarHBondContact O-CD 3.34Å; D933-K937 VanDerWaalsContact O-CE 3.25Å; D933-K937 WeakPolarHBondContact O-CE 3.28Å; D933-K937 VanDerWaalsContact O-CG 3.27Å; D933-K937 WeakPolarHBondContact O-CG 3.35Å; D933-K937 PolarHBondContact O-NZ 3.24Å; L934-K937 WeakPolarHBondContact O-CB 3.31Å; L934-K937 PolarHBondContact O-N 3.49Å; L934-K937 VanDerWaalsContact O-N 3.13Å; L935-K937 VanDerWaalsContact C-N 3.27Å; L935-K937 PolarHBondContact O-N 2.98Å; K937-E939 HydrophobicContact CB-CG 4.46Å
938	G	88.5	Confident	90.1	Very high	49 Å²	49	60.9 Å²	60.9	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-2.1	-177.3	0	0	0	0	0	114.7	L935 E936 R940	L935-G938 PolarHBondContact O-N 3.42Å; L935-G938 VanDerWaalsContact O-N 3.11Å; E936-G938 PolarHBondContact O-N 3.18Å; G938-R940 PolarHBondContact O-NH1 2.8Å
939	E	91.2	Very high	90.9	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	33%	0.331	S	S	*	.			trans	-62.9	144.4	176.3	-66.7	-76.3	-168.6	0	0	111.3	L934 K937	L934-E939 HydrophobicContact CD2-CB 3.47Å; L934-E939 VanDerWaalsContact CD2-CB 3.47Å; L934-E939 HydrophobicContact CG-CB 3.63Å; L934-E939 HydrophobicContact CG-CG 4.24Å; L934-E939 WeakPolarHBondContact O-CB 3.28Å; L934-E939 PolarHBondContact O-N 2.91Å; K937-E939 HydrophobicContact CB-CG 4.46Å
940	R	94.3	Very high	91.6	Very high	46 Å²	46	58.7 Å²	58.7	17%	0.174	32%	0.316	C	S	.	.			trans	-143.2	169.9	-175.6	-65.4	-60.9	-179	-91.3	3.1	111.5	L935 G938 W959	L935-R940 PolarHBondContact O-NH1 3.39Å; G938-R940 PolarHBondContact O-NH1 2.8Å; R940-W959 HydrophobicContact CB-CE3 4.12Å; R940-W959 HydrophobicContact CB-CZ3 4.47Å; R940-W959 HydrophobicContact CG-CE3 4.37Å; R940-W959 PolarHBondContact NE-O 2.75Å; R940-W959 PolarHBondContact NH2-O 3.11Å
941	L	95.7	Very high	92	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-63.9	135.9	171.4	-63	170.1	0	0	0	110.1	V910 W913 P922 Y923 Y952 W959	V910-L941 HydrophobicContact CG1-CD1 4.1Å; V910-L941 HydrophobicContact CG2-CD1 4.21Å; W913-L941 HydrophobicContact CB-CD1 4.15Å; W913-L941 HydrophobicContact CD2-CB 4.16Å; W913-L941 HydrophobicContact CD2-CD1 3.8Å; W913-L941 HydrophobicContact CD2-CG 4.38Å; W913-L941 HydrophobicContact CE3-CD1 4.06Å; W913-L941 HydrophobicContact CG-CB 4.11Å; W913-L941 HydrophobicContact CG-CD1 3.84Å; W913-L941 HydrophobicContact CH2-CD2 4.42Å; W913-L941 HydrophobicContact CZ2-CB 4.44Å; W913-L941 HydrophobicContact CZ2-CD2 4.29Å; P922-L941 HydrophobicContact CB-CD1 4.12Å; P922-L941 HydrophobicContact CB-CD2 4.13Å; Y923-L941 HydrophobicContact CD1-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CD2 3.78Å; Y923-L941 HydrophobicContact CD2-CG 4.42Å; Y923-L941 HydrophobicContact CE1-CD2 3.71Å; Y923-L941 HydrophobicContact CE1-CG 4Å; Y923-L941 HydrophobicContact CE2-CD1 4.24Å; Y923-L941 HydrophobicContact CE2-CD2 3.71Å; Y923-L941 HydrophobicContact CE2-CG 3.85Å; Y923-L941 HydrophobicContact CG-CD2 3.8Å; L941-Y952 PolarHBondContact O-OH 2.85Å; L941-W959 HydrophobicContact CB-CH2 3.7Å; L941-W959 HydrophobicContact CB-CZ2 4.36Å; L941-W959 HydrophobicContact CB-CZ3 4.04Å; L941-W959 HydrophobicContact CD1-CH2 4.01Å; L941-W959 HydrophobicContact CD1-CZ2 3.83Å; L941-W959 HydrophobicContact CG-CH2 4.32Å
942	P	95.2	Very high	92.4	Very high	88 Å²	88	56.9 Å²	56.9	57%	0.571	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-71.6	156.1	-175.8	30.2	-36.5	0	0	0	112.2	W913 P944	W913-P942 PolarHBondContact NE1-O 3.02Å; P942-P944 WeakPolarHBondContact O-CD 3.28Å
943	Q	96.2	Very high	92.8	Very high	74 Å²	74	59.4 Å²	59.4	35%	0.346	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-55.5	122.5	175.6	179.1	168.8	-12.1	0	0	111.6	C947 Y952	Q943-C947 PolarHBondContact NE2-O 3.48Å; Q943-Y952 HydrophobicContact CB-CD1 3.91Å; Q943-Y952 HydrophobicContact CB-CD2 3.76Å; Q943-Y952 HydrophobicContact CB-CE1 4.08Å; Q943-Y952 HydrophobicContact CB-CE2 3.94Å; Q943-Y952 HydrophobicContact CB-CG 3.75Å; Q943-Y952 HydrophobicContact CG-CD1 4.23Å; Q943-Y952 HydrophobicContact CG-CD2 4.15Å; Q943-Y952 HydrophobicContact CG-CG 3.83Å
944	P	94.6	Very high	93.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.013	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-63.1	135.7	174.9	-24.3	35.9	0	0	0	111.1	W913 M916 T917 P942 I946 C947 M955	W913-P944 HydrophobicContact CG-CG 4.33Å; M916-P944 HydrophobicContact CB-CB 3.88Å; M916-P944 HydrophobicContact CB-CG 3.85Å; M916-P944 WeakPolarHBondContact O-CB 3.49Å; T917-P944 HydrophobicContact CG2-CB 3.98Å; T917-P944 HydrophobicContact CG2-CG 4.02Å; P942-P944 WeakPolarHBondContact O-CD 3.28Å; P944-I946 PolarHBondContact O-N 2.89Å; P944-C947 HydrophobicContact CB-CB 4.45Å; P944-C947 WeakPolarHBondContact O-CB 3.34Å; P944-C947 PolarHBondContact O-N 3.47Å; P944-M955 HydrophobicContact CG-CE 3.98Å; P944-M955 HydrophobicContact CG-SD 4.3Å
945	P	90.6	Very high	93.5	Very high	133 Å²	133	54.3 Å²	54.3	86%	0.864	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.6	-173.2	-28.1	35.9	0	0	0	116.2
946	I	92	Very high	93.7	Very high	26 Å²	26	56.2 Å²	56.2	13%	0.133	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-13.5	175.6	62.5	167.6	0	0	0	113.1	L822 M916 F918 P944 V987 V988 I989	L822-I946 HydrophobicContact CD1-CD1 3.7Å; M916-I946 WeakPolarHBondContact O-CD1 3.48Å; M916-I946 VanDerWaalsContact O-CG1 3.3Å; M916-I946 WeakPolarHBondContact O-CG1 3.49Å; M916-I946 HydrophobicContact SD-CD1 4.27Å; F918-I946 HydrophobicContact CE2-CD1 3.79Å; F918-I946 HydrophobicContact CE2-CG2 4.36Å; F918-I946 HydrophobicContact CZ-CD1 3.93Å; P944-I946 PolarHBondContact O-N 2.89Å; I946-V987 HydrophobicContact CB-CG1 4.19Å; I946-V987 HydrophobicContact CD1-CG1 3.75Å; I946-V987 HydrophobicContact CG1-CG1 4.1Å; I946-V987 CarbonylContact O-C 3.53Å; I946-V987 VanDerWaalsContact O-CA 3.29Å; I946-V987 WeakPolarHBondContact O-CA 3.48Å; I946-V988 WeakPolarHBondContact CB-O 3.44Å; I946-V988 WeakPolarHBondContact CG2-O 3.47Å; I946-V988 PolarHBondContact O-N 2.68Å; I946-I989 HydrophobicContact CD1-CG1 4.5Å
947	C	91.7	Very high	94	Very high	9 Å²	9	56.2 Å²	56.2	6%	0.061	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-89.1	137.1	-176.5	-71.9	0	0	0	0	112.3	M916 Q943 P944 V951	M916-C947 VanDerWaalsContact CB-SG 3.53Å; M916-C947 WeakPolarHBondContact CG-SG 3.42Å; Q943-C947 PolarHBondContact NE2-O 3.48Å; P944-C947 HydrophobicContact CB-CB 4.45Å; P944-C947 WeakPolarHBondContact O-CB 3.34Å; P944-C947 PolarHBondContact O-N 3.47Å; C947-V951 HydrophobicContact CB-CB 4.14Å; C947-V951 HydrophobicContact CB-CG1 4.41Å
948	T	94	Very high	94.4	Very high	35 Å²	35	49 Å²	49	22%	0.215	27%	0.268	C	S	.	.			trans	-69.9	165.5	160.4	62.9	0	0	0	0	111.9	D950 V951 Y952 R985 F986	T948-D950 PolarHBondContact O-N 3.34Å; T948-V951 PolarHBondContact O-N 2.02Å; T948-Y952 PolarHBondContact O-N 2.93Å; T948-R985 WeakPolarHBondContact CG2-O 3.31Å; T948-F986 PolarHBondContact N-O 3.39Å; T948-F986 PolarHBondContact OG1-O 2.82Å
949	I	92.7	Very high	94.8	Very high	82 Å²	82	46.7 Å²	46.7	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-54.2	-34.1	173.8	-171	168.9	0	0	0	112.3	V951 Y952 M953 Y1139	I949-V951 PolarHBondContact O-N 2.96Å; I949-Y952 PolarHBondContact O-N 2.88Å; I949-M953 HydrophobicContact CD1-CE 3.96Å; I949-M953 HydrophobicContact CG1-CE 3.93Å; I949-M953 HydrophobicContact CG1-CG 4.01Å; I949-M953 WeakPolarHBondContact O-CB 3.47Å; I949-M953 WeakPolarHBondContact O-CG 3.41Å; I949-M953 PolarHBondContact O-N 2.72Å; I949-Y1139 WeakPolarHBondContact CD1-OH 3.41Å
950	D	93.3	Very high	95	Very high	71 Å²	71	44.6 Å²	44.6	38%	0.38	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-44.1	180	-66.2	-31.6	0	0	0	112.2	T948 I954 M979 F986	T948-D950 PolarHBondContact O-N 3.34Å; D950-I954 PolarHBondContact O-N 3.49Å; D950-M979 HydrophobicContact CB-CE 3.93Å; D950-F986 HydrophobicContact CB-CD1 3.95Å; D950-F986 HydrophobicContact CB-CE1 4.16Å; D950-F986 WeakPolarHBondContact OD2-CE1 3.29Å
951	V	94.6	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-70	-41.3	177.9	-175.2	0	0	0	0	110.5	M916 C947 T948 I949 M953 I954 M955 M979 F986 V987	M916-V951 HydrophobicContact CE-CG1 4.37Å; C947-V951 HydrophobicContact CB-CB 4.14Å; C947-V951 HydrophobicContact CB-CG1 4.41Å; T948-V951 PolarHBondContact O-N 2.02Å; I949-V951 PolarHBondContact O-N 2.96Å; V951-M953 PolarHBondContact O-N 3.5Å; V951-I954 WeakPolarHBondContact O-CB 3.36Å; V951-I954 PolarHBondContact O-N 2.89Å; V951-M955 HydrophobicContact CG1-CE 4.16Å; V951-M955 PolarHBondContact O-N 3.11Å; V951-M979 HydrophobicContact CG2-CE 4.26Å; V951-M979 HydrophobicContact CG2-SD 3.93Å; V951-F986 HydrophobicContact CG2-CB 3.73Å; V951-F986 VanDerWaalsContact CG2-O 3.29Å; V951-F986 WeakPolarHBondContact CG2-O 3.34Å; V951-V987 HydrophobicContact CG2-CG2 4.37Å
952	Y	97.3	Very high	94.6	Very high	37 Å²	37	49.8 Å²	49.8	15%	0.145	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-36.4	178.4	-175.6	-120	0	0	0	112.5	L941 Q943 T948 I949 I954 M955 V956 W959	L941-Y952 PolarHBondContact O-OH 2.85Å; Q943-Y952 HydrophobicContact CB-CD1 3.91Å; Q943-Y952 HydrophobicContact CB-CD2 3.76Å; Q943-Y952 HydrophobicContact CB-CE1 4.08Å; Q943-Y952 HydrophobicContact CB-CE2 3.94Å; Q943-Y952 HydrophobicContact CB-CG 3.75Å; Q943-Y952 HydrophobicContact CG-CD1 4.23Å; Q943-Y952 HydrophobicContact CG-CD2 4.15Å; Q943-Y952 HydrophobicContact CG-CG 3.83Å; T948-Y952 PolarHBondContact O-N 2.93Å; I949-Y952 PolarHBondContact O-N 2.88Å; Y952-I954 PolarHBondContact O-N 3.13Å; Y952-M955 HydrophobicContact CD2-CB 4.42Å; Y952-M955 HydrophobicContact CD2-SD 3.92Å; Y952-M955 WeakPolarHBondContact O-CB 3.41Å; Y952-M955 PolarHBondContact O-N 3.08Å; Y952-V956 HydrophobicContact CD1-CG2 4.11Å; Y952-V956 HydrophobicContact CD2-CG2 4.42Å; Y952-V956 HydrophobicContact CE1-CG2 3.74Å; Y952-V956 HydrophobicContact CE2-CG2 4.08Å; Y952-V956 HydrophobicContact CG-CG2 4.44Å; Y952-V956 WeakPolarHBondContact O-CG2 3.42Å; Y952-V956 PolarHBondContact O-N 3.45Å; Y952-W959 HydrophobicContact CE2-CZ3 4.29Å
953	M	95.9	Very high	94.4	Very high	72 Å²	72	46.6 Å²	46.6	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-29.1	174.1	-75.1	-70	172.1	0	0	112.5	I949 V951 K957 Y1139	I949-M953 HydrophobicContact CD1-CE 3.96Å; I949-M953 HydrophobicContact CG1-CE 3.93Å; I949-M953 HydrophobicContact CG1-CG 4.01Å; I949-M953 WeakPolarHBondContact O-CB 3.47Å; I949-M953 WeakPolarHBondContact O-CG 3.41Å; I949-M953 PolarHBondContact O-N 2.72Å; V951-M953 PolarHBondContact O-N 3.5Å; M953-K957 WeakPolarHBondContact O-CB 3.43Å; M953-K957 VanDerWaalsContact O-CG 3.24Å; M953-K957 WeakPolarHBondContact O-CG 3.47Å; M953-K957 PolarHBondContact O-N 3.47Å; M953-Y1139 WeakPolarHBondContact CE-OH 3.45Å
954	I	96.2	Very high	94.1	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.077	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-44.6	170.5	-63.3	173.9	0	0	0	110.7	D950 V951 Y952 V956 K957 C958 L972 E975 F976 M979	D950-I954 PolarHBondContact O-N 3.49Å; V951-I954 WeakPolarHBondContact O-CB 3.36Å; V951-I954 PolarHBondContact O-N 2.89Å; Y952-I954 PolarHBondContact O-N 3.13Å; I954-V956 VanDerWaalsContact C-N 3.34Å; I954-V956 PolarHBondContact O-N 2.56Å; I954-K957 WeakPolarHBondContact O-CB 3.39Å; I954-K957 PolarHBondContact O-N 3.25Å; I954-C958 PolarHBondContact O-N 2.82Å; I954-C958 PolarHBondContact O-SG 3.1Å; I954-C958 VanDerWaalsContact O-SG 3.37Å; I954-L972 HydrophobicContact CG2-CD2 3.51Å; I954-E975 HydrophobicContact CD1-CB 3.74Å; I954-E975 HydrophobicContact CD1-CG 4.22Å; I954-F976 HydrophobicContact CD1-CE2 4.46Å; I954-F976 HydrophobicContact CG2-CE2 3.84Å; I954-F976 HydrophobicContact CG2-CZ 4.21Å; I954-M979 HydrophobicContact CD1-CE 3.46Å; I954-M979 VanDerWaalsContact CD1-CE 3.46Å; I954-M979 HydrophobicContact CD1-SD 3.97Å; I954-M979 HydrophobicContact CG1-CE 4.49Å
955	M	97.2	Very high	94	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-46.2	174.8	-60.2	170.6	179.8	0	0	111.6	V912 W913 M916 P944 V951 Y952 K957 C958 W959	V912-M955 HydrophobicContact CB-CE 4.42Å; V912-M955 HydrophobicContact CG1-CE 3.65Å; V912-M955 HydrophobicContact CG1-CG 4.43Å; W913-M955 HydrophobicContact CB-SD 4.4Å; M916-M955 HydrophobicContact CB-CE 4Å; M916-M955 HydrophobicContact CG-CE 3.79Å; P944-M955 HydrophobicContact CG-CE 3.98Å; P944-M955 HydrophobicContact CG-SD 4.3Å; V951-M955 HydrophobicContact CG1-CE 4.16Å; V951-M955 PolarHBondContact O-N 3.11Å; Y952-M955 HydrophobicContact CD2-CB 4.42Å; Y952-M955 HydrophobicContact CD2-SD 3.92Å; Y952-M955 WeakPolarHBondContact O-CB 3.41Å; Y952-M955 PolarHBondContact O-N 3.08Å; M955-K957 PolarHBondContact O-N 2.72Å; M955-C958 WeakPolarHBondContact O-CB 3.39Å; M955-C958 PolarHBondContact O-N 2.64Å; M955-C958 VanDerWaalsContact O-N 3.12Å; M955-W959 HydrophobicContact CB-CE3 4.27Å; M955-W959 HydrophobicContact CB-CH2 3.67Å; M955-W959 HydrophobicContact CB-CZ2 4.1Å; M955-W959 HydrophobicContact CB-CZ3 3.77Å; M955-W959 HydrophobicContact CG-CH2 4.33Å; M955-W959 PolarHBondContact O-N 3.36Å; M955-W959 HydrophobicContact SD-CH2 4.3Å
956	V	96.3	Very high	94.3	Very high	40 Å²	40	47.3 Å²	47.3	24%	0.242	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-41.7	177.9	173.5	0	0	0	0	111.6	Y952 I954 C958 W959 M960	Y952-V956 HydrophobicContact CD1-CG2 4.11Å; Y952-V956 HydrophobicContact CD2-CG2 4.42Å; Y952-V956 HydrophobicContact CE1-CG2 3.74Å; Y952-V956 HydrophobicContact CE2-CG2 4.08Å; Y952-V956 HydrophobicContact CG-CG2 4.44Å; Y952-V956 WeakPolarHBondContact O-CG2 3.42Å; Y952-V956 PolarHBondContact O-N 3.45Å; I954-V956 VanDerWaalsContact C-N 3.34Å; I954-V956 PolarHBondContact O-N 2.56Å; V956-C958 VanDerWaalsContact C-N 3.31Å; V956-C958 PolarHBondContact O-N 2.79Å; V956-W959 CarbonylContact O-C 3.59Å; V956-W959 PolarHBondContact O-N 3.31Å; V956-M960 PolarHBondContact O-N 3.2Å
957	K	96.9	Very high	94.6	Very high	121 Å²	121	47 Å²	47	53%	0.526	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-38	172.3	-78.8	175.1	179.3	-175.2	0	112.6	M953 I954 M955 W959 M960 P967	M953-K957 WeakPolarHBondContact O-CB 3.43Å; M953-K957 VanDerWaalsContact O-CG 3.24Å; M953-K957 WeakPolarHBondContact O-CG 3.47Å; M953-K957 PolarHBondContact O-N 3.47Å; I954-K957 WeakPolarHBondContact O-CB 3.39Å; I954-K957 PolarHBondContact O-N 3.25Å; M955-K957 PolarHBondContact O-N 2.72Å; K957-W959 PolarHBondContact O-N 3.14Å; K957-M960 WeakPolarHBondContact O-CG 3.28Å; K957-P967 HydrophobicContact CB-CG 4.3Å; K957-P967 WeakPolarHBondContact O-CD 3.45Å
958	C	97.7	Very high	94.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-22.6	173.1	-67.7	0	0	0	0	113.4	V905 W906 I954 M955 V956 R966	V905-C958 HydrophobicContact CG1-CB 4.07Å; V905-C958 WeakPolarHBondContact O-CB 3.39Å; W906-C958 WeakPolarHBondContact CA-O 3.31Å; I954-C958 PolarHBondContact O-N 2.82Å; I954-C958 PolarHBondContact O-SG 3.1Å; I954-C958 VanDerWaalsContact O-SG 3.37Å; M955-C958 WeakPolarHBondContact O-CB 3.39Å; M955-C958 PolarHBondContact O-N 2.64Å; M955-C958 VanDerWaalsContact O-N 3.12Å; V956-C958 VanDerWaalsContact C-N 3.31Å; V956-C958 PolarHBondContact O-N 2.79Å; C958-R966 WeakPolarHBondContact O-CD 3.49Å
959	W	97.1	Very high	94.9	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	22.2	-178.3	-51.8	-40.3	0	0	0	114.7	W906 G909 V910 W913 R940 L941 Y952 M955 V956 K957	W906-W959 HydrophobicContact CD2-CB 4.43Å; W906-W959 AromaticContact CD2-CD1 3.77Å; W906-W959 HydrophobicContact CD2-CG 4.47Å; W906-W959 AromaticContact CE2-CD1 3.88Å; W906-W959 HydrophobicContact CE3-CB 4.19Å; W906-W959 AromaticContact CG-CD1 3.86Å; W906-W959 HydrophobicContact CH2-CB 4.26Å; W906-W959 HydrophobicContact CZ2-CB 4.49Å; W906-W959 HydrophobicContact CZ3-CB 4.11Å; W906-W959 VanDerWaalsContact CZ3-O 3.31Å; W906-W959 WeakPolarHBondContact CZ3-O 3.47Å; W906-W959 PolarHBondContact O-NE1 3.18Å; G909-W959 VanDerWaalsContact C-CZ2 3.48Å; G909-W959 WeakPolarHBondContact O-CZ2 3.4Å; V910-W959 HydrophobicContact CG2-CZ2 4.34Å; W913-W959 HydrophobicContact CB-CH2 4.17Å; W913-W959 HydrophobicContact CB-CZ2 4.19Å; W913-W959 HydrophobicContact CG-CH2 4.34Å; R940-W959 HydrophobicContact CB-CE3 4.12Å; R940-W959 HydrophobicContact CB-CZ3 4.47Å; R940-W959 HydrophobicContact CG-CE3 4.37Å; R940-W959 PolarHBondContact NE-O 2.75Å; R940-W959 PolarHBondContact NH2-O 3.11Å; L941-W959 HydrophobicContact CB-CH2 3.7Å; L941-W959 HydrophobicContact CB-CZ2 4.36Å; L941-W959 HydrophobicContact CB-CZ3 4.04Å; L941-W959 HydrophobicContact CD1-CH2 4.01Å; L941-W959 HydrophobicContact CD1-CZ2 3.83Å; L941-W959 HydrophobicContact CG-CH2 4.32Å; Y952-W959 HydrophobicContact CE2-CZ3 4.29Å; M955-W959 HydrophobicContact CB-CE3 4.27Å; M955-W959 HydrophobicContact CB-CH2 3.67Å; M955-W959 HydrophobicContact CB-CZ2 4.1Å; M955-W959 HydrophobicContact CB-CZ3 3.77Å; M955-W959 HydrophobicContact CG-CH2 4.33Å; M955-W959 PolarHBondContact O-N 3.36Å; M955-W959 HydrophobicContact SD-CH2 4.3Å; V956-W959 CarbonylContact O-C 3.59Å; V956-W959 PolarHBondContact O-N 3.31Å; K957-W959 PolarHBondContact O-N 3.14Å
960	M	95.2	Very high	95.1	Very high	76 Å²	76	54.4 Å²	54.4	37%	0.374	26%	0.259	S	S	.	.			trans	-59.9	137.2	168.7	-67.4	-63.9	-74.4	0	0	110.3	V956 K957 C965 R966	V956-M960 PolarHBondContact O-N 3.2Å; K957-M960 WeakPolarHBondContact O-CG 3.28Å; M960-C965 HydrophobicContact CB-CB 4.01Å; M960-C965 HydrophobicContact CE-CB 4.03Å; M960-C965 HydrophobicContact CG-CB 4.18Å; M960-R966 HydrophobicContact CB-CG 4.03Å; M960-R966 PolarHBondContact O-NE 3.31Å; M960-R966 PolarHBondContact O-NH2 3.49Å; M960-R966 VanDerWaalsContact O-NH2 3.13Å
961	I	90.9	Very high	95.3	Very high	87 Å²	87	56 Å²	56	45%	0.446	26%	0.264	S	S	.	.	S	Bend	trans	-60.7	-50.8	178.4	-67.2	-69	0	0	0	109.8	L891 S963 R966	L891-I961 HydrophobicContact CD2-CD1 3.73Å; I961-S963 PolarHBondContact O-N 2.88Å; I961-R966 PolarHBondContact O-NH2 2.88Å; I961-R966 VanDerWaalsContact O-NH2 3.08Å
962	D	90.4	Very high	95.4	Very high	72 Å²	72	56.1 Å²	56.1	39%	0.385	27%	0.265	S	S	.	.	S	Bend	trans	-65.9	124.8	169.7	177.3	17.4	0	0	0	110.4	E964 C965	D962-E964 VanDerWaalsContact C-N 3.34Å; D962-E964 PolarHBondContact OD1-N 3.1Å; D962-C965 HydrophobicContact CB-CB 4.2Å; D962-C965 PolarHBondContact O-N 2.79Å; D962-C965 PolarHBondContact OD2-SG 2.74Å
963	S	91.9	Very high	95.4	Very high	22 Å²	22	55.6 Å²	55.6	15%	0.154	27%	0.265	C	S	.	.	S	Bend	trans	-69.6	-26.8	176.9	53.5	0	0	0	0	113.6	Q902 I961 C965 R966	Q902-S963 WeakPolarHBondContact CG-O 3.2Å; Q902-S963 PolarHBondContact NE2-O 3.1Å; I961-S963 PolarHBondContact O-N 2.88Å; S963-C965 VanDerWaalsContact C-N 3.32Å; S963-R966 PolarHBondContact O-N 2.84Å
964	E	89.3	Confident	95.4	Very high	168 Å²	168	55.9 Å²	55.9	79%	0.785	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-24	178.3	-61.7	-171.6	171.2	0	0	111.6	D962 R966	D962-E964 VanDerWaalsContact C-N 3.34Å; D962-E964 PolarHBondContact OD1-N 3.1Å; E964-R966 VanDerWaalsContact C-N 3.29Å; E964-R966 PolarHBondContact O-N 2.86Å
965	C	93.3	Very high	95.4	Very high	49 Å²	49	58.5 Å²	58.5	33%	0.331	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-0.5	172.2	-71.3	0	0	0	0	114.8	M960 D962 S963	M960-C965 HydrophobicContact CB-CB 4.01Å; M960-C965 HydrophobicContact CE-CB 4.03Å; M960-C965 HydrophobicContact CG-CB 4.18Å; D962-C965 HydrophobicContact CB-CB 4.2Å; D962-C965 PolarHBondContact O-N 2.79Å; D962-C965 PolarHBondContact OD2-SG 2.74Å; S963-C965 VanDerWaalsContact C-N 3.32Å
966	R	97.1	Very high	95.3	Very high	6 Å²	6	58.5 Å²	58.5	2%	0.023	29%	0.286	C	S	.	.	S	Bend	trans	-91.3	141.9	178.8	-58.9	176.9	-162.7	153.7	11.1	110.8	E892 Q902 V905 C958 M960 I961 S963 E964	E892-R966 IonicContact OE1-CZ 3.17Å; E892-R966 IonicContact OE1-NH1 3.85Å; E892-R966 PolarHBondContact OE1-NH1 3.48Å; E892-R966 IonicContact OE1-NH2 2.8Å; E892-R966 PolarHBondContact OE1-NH2 3.24Å; E892-R966 IonicContact OE2-CZ 3.72Å; E892-R966 IonicContact OE2-NH1 3.31Å; E892-R966 IonicContact OE2-NH2 2.93Å; E892-R966 PolarHBondContact OE2-NH2 2.83Å; Q902-R966 PolarHBondContact NE2-O 2.8Å; Q902-R966 WeakPolarHBondContact O-CD 3.41Å; Q902-R966 PolarHBondContact O-NH1 3.48Å; V905-R966 HydrophobicContact CG1-CB 4.02Å; C958-R966 WeakPolarHBondContact O-CD 3.49Å; M960-R966 HydrophobicContact CB-CG 4.03Å; M960-R966 PolarHBondContact O-NE 3.31Å; M960-R966 PolarHBondContact O-NH2 3.49Å; M960-R966 VanDerWaalsContact O-NH2 3.13Å; I961-R966 PolarHBondContact O-NH2 2.88Å; I961-R966 VanDerWaalsContact O-NH2 3.08Å; S963-R966 PolarHBondContact O-N 2.84Å; E964-R966 VanDerWaalsContact C-N 3.29Å; E964-R966 PolarHBondContact O-N 2.86Å
967	P	96.7	Very high	95.3	Very high	19 Å²	19	57.7 Å²	57.7	12%	0.123	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-69.3	149.5	-179.2	29.8	-35.6	0	0	0	111.7	V905 K957 E971 L972	V905-P967 HydrophobicContact CG1-CG 4.4Å; V905-P967 WeakPolarHBondContact CG1-O 3.38Å; V905-P967 WeakPolarHBondContact CG2-O 3.35Å; K957-P967 HydrophobicContact CB-CG 4.3Å; K957-P967 WeakPolarHBondContact O-CD 3.45Å; P967-E971 WeakPolarHBondContact CA-OE2 3.18Å; P967-E971 HydrophobicContact CB-CB 4.36Å; P967-E971 WeakPolarHBondContact CB-OE2 3.29Å; P967-L972 HydrophobicContact CB-CD2 4.36Å; P967-L972 HydrophobicContact CB-CG 4.31Å; P967-L972 HydrophobicContact CG-CD1 4.4Å; P967-L972 HydrophobicContact CG-CD2 3.81Å; P967-L972 HydrophobicContact CG-CG 4.09Å
968	R	95.9	Very high	95.1	Very high	132 Å²	132	56.9 Å²	56.9	50%	0.498	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-75.3	161.4	173.4	-70.5	-177.4	176.4	-101.8	7.2	111.9	E837 R970 E971 L972	E837-R968 IonicContact OE1-CZ 2.79Å; E837-R968 IonicContact OE1-NH1 2.68Å; E837-R968 PolarHBondContact OE1-NH1 3.24Å; R968-R970 VanDerWaalsContact C-N 3.26Å; R968-R970 PolarHBondContact O-N 3.33Å; R968-E971 HydrophobicContact CB-CG 4.37Å; R968-E971 PolarHBondContact N-OE2 2.74Å; R968-E971 WeakPolarHBondContact O-CB 3.28Å; R968-E971 PolarHBondContact O-N 3.04Å; R968-L972 PolarHBondContact O-N 2.92Å; R968-L972 VanDerWaalsContact O-N 3.08Å
969	F	97.5	Very high	95	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-32.9	178.4	-76.5	-68.6	0	0	0	112.9	M833 E837 D904 V905 Y908 E971 L972 V973	M833-F969 HydrophobicContact CB-CB 4.48Å; M833-F969 HydrophobicContact CB-CD1 3.39Å; M833-F969 HydrophobicContact CB-CD2 3.88Å; M833-F969 HydrophobicContact CB-CE1 3.36Å; M833-F969 HydrophobicContact CB-CE2 3.85Å; M833-F969 HydrophobicContact CB-CG 3.65Å; M833-F969 HydrophobicContact CB-CZ 3.59Å; M833-F969 HydrophobicContact CE-CE2 3.99Å; M833-F969 HydrophobicContact CE-CZ 3.88Å; M833-F969 HydrophobicContact CG-CD1 4.29Å; M833-F969 HydrophobicContact CG-CE1 3.79Å; M833-F969 HydrophobicContact CG-CZ 3.91Å; E837-F969 HydrophobicContact CB-CD2 4.44Å; E837-F969 WeakPolarHBondContact OE2-CB 3.47Å; E837-F969 PolarHBondContact OE2-N 2.81Å; E837-F969 VanDerWaalsContact OE2-N 3.15Å; D904-F969 HydrophobicContact CB-CE2 3.97Å; D904-F969 HydrophobicContact CB-CZ 3.98Å; V905-F969 HydrophobicContact CB-CZ 4.39Å; V905-F969 HydrophobicContact CG2-CD1 4.49Å; V905-F969 HydrophobicContact CG2-CD2 3.97Å; V905-F969 HydrophobicContact CG2-CE1 4.17Å; V905-F969 HydrophobicContact CG2-CE2 3.61Å; V905-F969 HydrophobicContact CG2-CG 4.4Å; V905-F969 HydrophobicContact CG2-CZ 3.72Å; Y908-F969 HydrophobicContact CD1-CE1 4.49Å; Y908-F969 HydrophobicContact CD2-CE1 4.04Å; Y908-F969 AromaticContact CG-CE1 3.83Å; Y908-F969 HydrophobicContact CG-CE1 3.83Å; F969-E971 VanDerWaalsContact C-N 3.28Å; F969-E971 PolarHBondContact O-N 3.17Å; F969-L972 HydrophobicContact CD1-CD1 3.91Å; F969-L972 HydrophobicContact CE1-CD1 4.2Å; F969-L972 PolarHBondContact O-N 2.88Å; F969-V973 VanDerWaalsContact O-CG2 3.3Å; F969-V973 WeakPolarHBondContact O-CG2 3.36Å; F969-V973 PolarHBondContact O-N 2.8Å
970	R	96.2	Very high	94.6	Very high	151 Å²	151	57.3 Å²	57.3	57%	0.57	28%	0.28	S	S	*	.	H	α-helix	trans	-58.9	-36.5	172.6	-66.9	179.4	174.3	-151.9	-0.4	113.1	S834 D838 R968 S974	S834-R970 VanDerWaalsContact OG-CG 3.32Å; S834-R970 WeakPolarHBondContact OG-CG 3.38Å; D838-R970 IonicContact OD1-CZ 2.64Å; D838-R970 VanDerWaalsContact OD1-CZ 3.31Å; D838-R970 IonicContact OD1-NE 3.65Å; D838-R970 PolarHBondContact OD1-NE 3.4Å; D838-R970 VanDerWaalsContact OD1-NE 3.12Å; D838-R970 IonicContact OD1-NH2 2.73Å; D838-R970 PolarHBondContact OD1-NH2 2.85Å; D838-R970 IonicContact OD2-NE 3.66Å; D838-R970 IonicContact OD2-NH2 3.65Å; D838-R970 PolarHBondContact OD2-NH2 2.98Å; R968-R970 VanDerWaalsContact C-N 3.26Å; R968-R970 PolarHBondContact O-N 3.33Å; R970-S974 PolarHBondContact O-N 2.68Å
971	E	96.9	Very high	94.4	Very high	103 Å²	103	62.7 Å²	62.7	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-74.7	-42.2	178.1	-61.5	166.8	169.5	0	0	110.9	P967 R968 F969 V973 S974 E975	P967-E971 WeakPolarHBondContact CA-OE2 3.18Å; P967-E971 HydrophobicContact CB-CB 4.36Å; P967-E971 WeakPolarHBondContact CB-OE2 3.29Å; R968-E971 HydrophobicContact CB-CG 4.37Å; R968-E971 PolarHBondContact N-OE2 2.74Å; R968-E971 WeakPolarHBondContact O-CB 3.28Å; R968-E971 PolarHBondContact O-N 3.04Å; F969-E971 VanDerWaalsContact C-N 3.28Å; F969-E971 PolarHBondContact O-N 3.17Å; E971-V973 VanDerWaalsContact C-N 3.32Å; E971-V973 PolarHBondContact O-N 3.13Å; E971-S974 WeakPolarHBondContact O-CA 3.1Å; E971-S974 VanDerWaalsContact O-CB 3.32Å; E971-S974 WeakPolarHBondContact O-CB 3.35Å; E971-S974 PolarHBondContact O-N 2.91Å; E971-E975 PolarHBondContact O-N 3.48Å
972	L	97.7	Very high	94.3	Very high	3 Å²	3	62 Å²	62	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-40	173.1	-66.6	169.1	0	0	0	111.8	A830 V905 Y908 I954 P967 R968 F969 S974 E975 F976	A830-L972 HydrophobicContact CB-CB 4.33Å; V905-L972 HydrophobicContact CG1-CD1 4.23Å; V905-L972 HydrophobicContact CG2-CD1 4.43Å; Y908-L972 HydrophobicContact CD1-CD1 3.74Å; Y908-L972 HydrophobicContact CE1-CB 4.41Å; Y908-L972 HydrophobicContact CE1-CD1 3.89Å; Y908-L972 HydrophobicContact CE1-CD2 4.15Å; Y908-L972 HydrophobicContact CE1-CG 4.39Å; I954-L972 HydrophobicContact CG2-CD2 3.51Å; P967-L972 HydrophobicContact CB-CD2 4.36Å; P967-L972 HydrophobicContact CB-CG 4.31Å; P967-L972 HydrophobicContact CG-CD1 4.4Å; P967-L972 HydrophobicContact CG-CD2 3.81Å; P967-L972 HydrophobicContact CG-CG 4.09Å; R968-L972 PolarHBondContact O-N 2.92Å; R968-L972 VanDerWaalsContact O-N 3.08Å; F969-L972 HydrophobicContact CD1-CD1 3.91Å; F969-L972 HydrophobicContact CE1-CD1 4.2Å; F969-L972 PolarHBondContact O-N 2.88Å; L972-S974 VanDerWaalsContact C-N 3.3Å; L972-S974 PolarHBondContact O-N 2.83Å; L972-E975 PolarHBondContact O-N 2.9Å; L972-F976 HydrophobicContact CD2-CE2 4.46Å; L972-F976 WeakPolarHBondContact O-CD2 3.14Å; L972-F976 PolarHBondContact O-N 3.42Å
973	V	97.6	Very high	94.2	Very high	27 Å²	27	59.4 Å²	59.4	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-42.8	171.7	169	0	0	0	0	110.9	A830 K831 F969 E971 S977	A830-V973 HydrophobicContact CB-CG2 3.63Å; A830-V973 WeakPolarHBondContact O-CG2 3.34Å; K831-V973 HydrophobicContact CB-CG2 4.41Å; K831-V973 HydrophobicContact CG-CG1 3.87Å; K831-V973 HydrophobicContact CG-CG2 3.78Å; F969-V973 VanDerWaalsContact O-CG2 3.3Å; F969-V973 WeakPolarHBondContact O-CG2 3.36Å; F969-V973 PolarHBondContact O-N 2.8Å; E971-V973 VanDerWaalsContact C-N 3.32Å; E971-V973 PolarHBondContact O-N 3.13Å; V973-S977 WeakPolarHBondContact O-CB 3.41Å; V973-S977 PolarHBondContact O-N 3.08Å; V973-S977 PolarHBondContact O-OG 2.9Å
974	S	95.8	Very high	93.9	Very high	78 Å²	78	64.4 Å²	64.4	55%	0.545	30%	0.302	S	S	.	.	H	α-helix	trans	-62.4	-51.6	177.6	-167.8	0	0	0	0	111.8	R970 E971 L972 S977 R978	R970-S974 PolarHBondContact O-N 2.68Å; E971-S974 WeakPolarHBondContact O-CA 3.1Å; E971-S974 VanDerWaalsContact O-CB 3.32Å; E971-S974 WeakPolarHBondContact O-CB 3.35Å; E971-S974 PolarHBondContact O-N 2.91Å; L972-S974 VanDerWaalsContact C-N 3.3Å; L972-S974 PolarHBondContact O-N 2.83Å; S974-S977 CarbonylContact O-C 3.52Å; S974-S977 PolarHBondContact O-N 2.94Å; S974-R978 WeakPolarHBondContact O-CB 3.31Å; S974-R978 PolarHBondContact O-N 2.71Å
975	E	95.8	Very high	94	Very high	70 Å²	70	63.8 Å²	63.8	33%	0.327	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-47.2	-178.4	-74	-61.2	159.6	0	0	113	I954 E971 L972 S977 R978 M979	I954-E975 HydrophobicContact CD1-CB 3.74Å; I954-E975 HydrophobicContact CD1-CG 4.22Å; E971-E975 PolarHBondContact O-N 3.48Å; L972-E975 PolarHBondContact O-N 2.9Å; E975-S977 VanDerWaalsContact C-N 3.34Å; E975-S977 PolarHBondContact O-N 2.79Å; E975-R978 WeakPolarHBondContact O-CB 3.21Å; E975-R978 PolarHBondContact O-N 3.2Å; E975-R978 VanDerWaalsContact O-N 3.1Å; E975-R978 IonicContact OE2-CZ 3.38Å; E975-R978 IonicContact OE2-NE 2.71Å; E975-R978 PolarHBondContact OE2-NE 2.77Å; E975-R978 IonicContact OE2-NH2 3.66Å; E975-R978 PolarHBondContact OE2-NH2 3.03Å; E975-M979 WeakPolarHBondContact O-CG 3.11Å; E975-M979 PolarHBondContact O-N 3.18Å
976	F	95.9	Very high	94	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-30.9	176.6	-76.5	-76.9	0	0	0	112.4	L823 C826 M827 Y908 V912 I954 L972 R978 M979 A980	L823-F976 HydrophobicContact CD2-CD1 3.81Å; L823-F976 HydrophobicContact CD2-CE1 3.93Å; C826-F976 HydrophobicContact CB-CD1 3.44Å; C826-F976 VanDerWaalsContact CB-CD1 3.44Å; C826-F976 HydrophobicContact CB-CD2 4.45Å; C826-F976 HydrophobicContact CB-CE1 3.63Å; C826-F976 HydrophobicContact CB-CG 3.9Å; C826-F976 HydrophobicContact CB-CZ 4.23Å; M827-F976 HydrophobicContact CB-CB 4.02Å; Y908-F976 HydrophobicContact CE1-CD2 4.42Å; Y908-F976 AromaticContact CE1-CE2 3.84Å; Y908-F976 HydrophobicContact CE1-CE2 3.84Å; Y908-F976 AromaticContact CZ-CE2 3.95Å; Y908-F976 WeakPolarHBondContact OH-CD2 3.5Å; Y908-F976 WeakPolarHBondContact OH-CE2 3.32Å; V912-F976 HydrophobicContact CG1-CE1 4.34Å; V912-F976 HydrophobicContact CG1-CZ 3.96Å; V912-F976 HydrophobicContact CG2-CE2 4.49Å; V912-F976 HydrophobicContact CG2-CZ 4.15Å; I954-F976 HydrophobicContact CD1-CE2 4.46Å; I954-F976 HydrophobicContact CG2-CE2 3.84Å; I954-F976 HydrophobicContact CG2-CZ 4.21Å; L972-F976 HydrophobicContact CD2-CE2 4.46Å; L972-F976 WeakPolarHBondContact O-CD2 3.14Å; L972-F976 PolarHBondContact O-N 3.42Å; F976-R978 VanDerWaalsContact C-N 3.27Å; F976-R978 PolarHBondContact O-N 2.88Å; F976-M979 PolarHBondContact O-N 2.91Å; F976-A980 WeakPolarHBondContact O-CB 3.25Å; F976-A980 PolarHBondContact O-N 3.29Å
977	S	94.5	Very high	93.7	Very high	24 Å²	24	61.3 Å²	61.3	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-70.8	-19.6	170.6	-58.5	0	0	0	0	113.6	M827 V973 S974 E975 R981	M827-S977 PolarHBondContact SD-OG 2.92Å; M827-S977 VanDerWaalsContact SD-OG 3.39Å; V973-S977 WeakPolarHBondContact O-CB 3.41Å; V973-S977 PolarHBondContact O-N 3.08Å; V973-S977 PolarHBondContact O-OG 2.9Å; S974-S977 CarbonylContact O-C 3.52Å; S974-S977 PolarHBondContact O-N 2.94Å; E975-S977 VanDerWaalsContact C-N 3.34Å; E975-S977 PolarHBondContact O-N 2.79Å; S977-R981 WeakPolarHBondContact O-CG 3.49Å; S977-R981 PolarHBondContact O-NE 3.06Å; S977-R981 VanDerWaalsContact O-NE 3.07Å
978	R	94.6	Very high	93.3	Very high	104 Å²	104	64.4 Å²	64.4	39%	0.392	29%	0.294	S	S	.	.	H	α-helix	trans	-81.1	-47.2	171.3	-177	-173.5	65.5	73.2	-2.8	110.4	S974 E975 F976 R981 F986	S974-R978 WeakPolarHBondContact O-CB 3.31Å; S974-R978 PolarHBondContact O-N 2.71Å; E975-R978 WeakPolarHBondContact O-CB 3.21Å; E975-R978 PolarHBondContact O-N 3.2Å; E975-R978 VanDerWaalsContact O-N 3.1Å; E975-R978 IonicContact OE2-CZ 3.38Å; E975-R978 IonicContact OE2-NE 2.71Å; E975-R978 PolarHBondContact OE2-NE 2.77Å; E975-R978 IonicContact OE2-NH2 3.66Å; E975-R978 PolarHBondContact OE2-NH2 3.03Å; F976-R978 VanDerWaalsContact C-N 3.27Å; F976-R978 PolarHBondContact O-N 2.88Å; R978-R981 WeakPolarHBondContact O-CB 3.49Å; R978-R981 PolarHBondContact O-N 3.1Å; R978-F986 VanDerWaalsContact NH1-CZ 3.32Å
979	M	93.9	Very high	92.7	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-40.1	179.2	-67.8	179.4	171.3	0	0	112.6	L823 D950 V951 I954 E975 F976 R981 D982 F986	L823-M979 HydrophobicContact CD1-CB 4.29Å; L823-M979 HydrophobicContact CD2-CB 4.15Å; D950-M979 HydrophobicContact CB-CE 3.93Å; V951-M979 HydrophobicContact CG2-CE 4.26Å; V951-M979 HydrophobicContact CG2-SD 3.93Å; I954-M979 HydrophobicContact CD1-CE 3.46Å; I954-M979 VanDerWaalsContact CD1-CE 3.46Å; I954-M979 HydrophobicContact CD1-SD 3.97Å; I954-M979 HydrophobicContact CG1-CE 4.49Å; E975-M979 WeakPolarHBondContact O-CG 3.11Å; E975-M979 PolarHBondContact O-N 3.18Å; F976-M979 PolarHBondContact O-N 2.91Å; M979-R981 PolarHBondContact O-N 2.8Å; M979-D982 CarbonylContact O-C 3.53Å; M979-D982 VanDerWaalsContact O-C 3.3Å; M979-D982 PolarHBondContact O-N 3.22Å; M979-F986 HydrophobicContact CB-CB 4.37Å; M979-F986 HydrophobicContact CB-CD2 3.66Å; M979-F986 HydrophobicContact CB-CE2 4.19Å; M979-F986 HydrophobicContact CB-CG 3.99Å; M979-F986 HydrophobicContact CE-CD1 3.95Å; M979-F986 HydrophobicContact CE-CE1 4.31Å; M979-F986 HydrophobicContact CE-CG 4.47Å; M979-F986 HydrophobicContact CG-CB 4.33Å; M979-F986 HydrophobicContact CG-CD1 3.96Å; M979-F986 HydrophobicContact CG-CD2 3.71Å; M979-F986 HydrophobicContact CG-CE1 4.25Å; M979-F986 HydrophobicContact CG-CE2 4.03Å; M979-F986 HydrophobicContact CG-CG 3.7Å; M979-F986 HydrophobicContact CG-CZ 4.3Å; M979-F986 HydrophobicContact SD-CB 4.38Å; M979-F986 HydrophobicContact SD-CD1 4.28Å; M979-F986 HydrophobicContact SD-CG 4.2Å
980	A	89.5	Confident	91.2	Very high	11 Å²	11	68.5 Å²	68.5	9%	0.091	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	0.1	178.6	0	0	0	0	0	114.9	Q820 L823 F976	Q820-A980 PolarHBondContact NE2-O 2.68Å; Q820-A980 PolarHBondContact OE1-O 3.45Å; L823-A980 HydrophobicContact CB-CB 4.18Å; F976-A980 WeakPolarHBondContact O-CB 3.25Å; F976-A980 PolarHBondContact O-N 3.29Å
981	R	90.2	Very high	89.6	Confident	188 Å²	188	66.6 Å²	66.6	71%	0.709	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-16.7	171.8	-61.5	171.2	-172.5	-165.8	-2.8	113.6	S977 R978 M979	S977-R981 WeakPolarHBondContact O-CG 3.49Å; S977-R981 PolarHBondContact O-NE 3.06Å; S977-R981 VanDerWaalsContact O-NE 3.07Å; R978-R981 WeakPolarHBondContact O-CB 3.49Å; R978-R981 PolarHBondContact O-N 3.1Å; M979-R981 PolarHBondContact O-N 2.8Å
982	D	89.7	Confident	87.7	Confident	72 Å²	72	64.8 Å²	64.8	39%	0.385	31%	0.312	S	S	.	.	S	Bend	trans	-148.7	61.9	-176.1	178.4	17.6	0	0	0	108.1	M979 Q984 R985 F986	M979-D982 CarbonylContact O-C 3.53Å; M979-D982 VanDerWaalsContact O-C 3.3Å; M979-D982 PolarHBondContact O-N 3.22Å; D982-Q984 PolarHBondContact O-N 2.86Å; D982-R985 WeakPolarHBondContact O-CB 3.45Å; D982-R985 PolarHBondContact O-N 3.44Å; D982-R985 WeakPolarHBondContact OD2-CB 3.42Å; D982-R985 WeakPolarHBondContact OD2-CD 3.02Å; D982-F986 HydrophobicContact CB-CE2 4.34Å; D982-F986 WeakPolarHBondContact O-CD2 3.47Å
983	P	88.8	Confident	85.4	Confident	18 Å²	18	72.7 Å²	72.7	12%	0.117	35%	0.354	C	S	.	.	H	α-helix	trans	-70.3	-35.3	-160	29.1	-37.2	0	0	0	113.1	S819 Q820 L823 R985 F986 V987	S819-P983 WeakPolarHBondContact OG-CB 3.35Å; Q820-P983 HydrophobicContact CB-CB 4.33Å; Q820-P983 HydrophobicContact CB-CG 3.99Å; L823-P983 HydrophobicContact CD1-CB 3.64Å; P983-R985 PolarHBondContact O-N 3.43Å; P983-F986 PolarHBondContact O-N 2.81Å; P983-V987 PolarHBondContact O-N 3.23Å
984	Q	86	Confident	83.2	Confident	128 Å²	128	76.1 Å²	76.1	60%	0.598	37%	0.372	S	S	*	.	H	α-helix	trans	-59.4	-30.5	178.7	-69.6	179.4	-23.2	0	0	113.1	D982 F986 E992	D982-Q984 PolarHBondContact O-N 2.86Å; Q984-F986 VanDerWaalsContact C-N 3.27Å; Q984-F986 PolarHBondContact O-N 3Å; Q984-E992 VanDerWaalsContact CG-OE2 3.28Å; Q984-E992 WeakPolarHBondContact CG-OE2 3.43Å; Q984-E992 PolarHBondContact NE2-OE2 3.43Å
985	R	90.9	Very high	80.8	Confident	154 Å²	154	75 Å²	75	58%	0.581	37%	0.373	S	S	*	.	H	α-helix	trans	-66.9	-28.2	175.4	176.3	178.1	172.8	166.5	1.4	112.8	T948 D982 P983	T948-R985 WeakPolarHBondContact CG2-O 3.31Å; D982-R985 WeakPolarHBondContact O-CB 3.45Å; D982-R985 PolarHBondContact O-N 3.44Å; D982-R985 WeakPolarHBondContact OD2-CB 3.42Å; D982-R985 WeakPolarHBondContact OD2-CD 3.02Å; P983-R985 PolarHBondContact O-N 3.43Å
986	F	92.8	Very high	78.4	Confident	3 Å²	3	77.8 Å²	77.8	1%	0.013	40%	0.397	C	S	.	.	H	α-helix	trans	-106.8	-28.7	-172.4	-60.9	-68.6	0	0	0	113	L823 T948 D950 V951 R978 M979 D982 P983 Q984	L823-F986 HydrophobicContact CD1-CB 4.28Å; T948-F986 PolarHBondContact N-O 3.39Å; T948-F986 PolarHBondContact OG1-O 2.82Å; D950-F986 HydrophobicContact CB-CD1 3.95Å; D950-F986 HydrophobicContact CB-CE1 4.16Å; D950-F986 WeakPolarHBondContact OD2-CE1 3.29Å; V951-F986 HydrophobicContact CG2-CB 3.73Å; V951-F986 VanDerWaalsContact CG2-O 3.29Å; V951-F986 WeakPolarHBondContact CG2-O 3.34Å; R978-F986 VanDerWaalsContact NH1-CZ 3.32Å; M979-F986 HydrophobicContact CB-CB 4.37Å; M979-F986 HydrophobicContact CB-CD2 3.66Å; M979-F986 HydrophobicContact CB-CE2 4.19Å; M979-F986 HydrophobicContact CB-CG 3.99Å; M979-F986 HydrophobicContact CE-CD1 3.95Å; M979-F986 HydrophobicContact CE-CE1 4.31Å; M979-F986 HydrophobicContact CE-CG 4.47Å; M979-F986 HydrophobicContact CG-CB 4.33Å; M979-F986 HydrophobicContact CG-CD1 3.96Å; M979-F986 HydrophobicContact CG-CD2 3.71Å; M979-F986 HydrophobicContact CG-CE1 4.25Å; M979-F986 HydrophobicContact CG-CE2 4.03Å; M979-F986 HydrophobicContact CG-CG 3.7Å; M979-F986 HydrophobicContact CG-CZ 4.3Å; M979-F986 HydrophobicContact SD-CB 4.38Å; M979-F986 HydrophobicContact SD-CD1 4.28Å; M979-F986 HydrophobicContact SD-CG 4.2Å; D982-F986 HydrophobicContact CB-CE2 4.34Å; D982-F986 WeakPolarHBondContact O-CD2 3.47Å; P983-F986 PolarHBondContact O-N 2.81Å; Q984-F986 VanDerWaalsContact C-N 3.27Å; Q984-F986 PolarHBondContact O-N 3Å
987	V	91.4	Very high	76.1	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-134	120.8	178.8	179.9	0	0	0	0	109.6	S819 L822 L823 M916 I946 V951 P983 I989	S819-V987 VanDerWaalsContact CB-O 3.23Å; S819-V987 WeakPolarHBondContact CB-O 3.47Å; L822-V987 HydrophobicContact CD1-CG1 4.27Å; L823-V987 HydrophobicContact CD1-CB 4.49Å; L823-V987 HydrophobicContact CD1-CG2 3.99Å; L823-V987 HydrophobicContact CD2-CG2 4.09Å; L823-V987 HydrophobicContact CG-CG2 4Å; M916-V987 HydrophobicContact CE-CG2 3.85Å; M916-V987 HydrophobicContact SD-CG1 4.24Å; M916-V987 HydrophobicContact SD-CG2 3.75Å; I946-V987 HydrophobicContact CB-CG1 4.19Å; I946-V987 HydrophobicContact CD1-CG1 3.75Å; I946-V987 HydrophobicContact CG1-CG1 4.1Å; I946-V987 CarbonylContact O-C 3.53Å; I946-V987 VanDerWaalsContact O-CA 3.29Å; I946-V987 WeakPolarHBondContact O-CA 3.48Å; V951-V987 HydrophobicContact CG2-CG2 4.37Å; P983-V987 PolarHBondContact O-N 3.23Å; V987-I989 HydrophobicContact CG1-CD1 4.31Å; V987-I989 HydrophobicContact CG1-CG1 4.14Å
988	V	87.4	Confident	73.8	Confident	84 Å²	84	81.1 Å²	81.1	51%	0.509	42%	0.422	S	S	.	.			trans	-104.9	111.3	-175	-177.4	0	0	0	0	110.1	I946	I946-V988 WeakPolarHBondContact CB-O 3.44Å; I946-V988 WeakPolarHBondContact CG2-O 3.47Å; I946-V988 PolarHBondContact O-N 2.68Å
989	I	83.4	Confident	71.5	Confident	30 Å²	30	78.8 Å²	78.8	15%	0.154	42%	0.421	C	S	.	.			trans	-119.7	131.8	176.3	-57.1	-178.4	0	0	0	108.5	L817 L822 F918 I946 V987 N991 E992	L817-I989 VanDerWaalsContact O-CD1 3.29Å; L817-I989 WeakPolarHBondContact O-CD1 3.47Å; L822-I989 HydrophobicContact CD1-CD1 4Å; F918-I989 HydrophobicContact CZ-CD1 4.1Å; I946-I989 HydrophobicContact CD1-CG1 4.5Å; V987-I989 HydrophobicContact CG1-CD1 4.31Å; V987-I989 HydrophobicContact CG1-CG1 4.14Å; I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.87Å; I989-E992 HydrophobicContact CB-CG 4.23Å
990	Q	67.2	Low	69.5	Low	189 Å²	189	83.6 Å²	83.6	88%	0.883	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	0.1	-168.1	-65.9	179.1	-12.5	0	0	115
991	N	61.2	Low	67.7	Low	110 Å²	110	85.7 Å²	85.7	59%	0.588	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.1	46.3	-169.7	-66.5	-32.5	0	0	0	112.9	I989 D993	I989-N991 VanDerWaalsContact C-N 3.3Å; I989-N991 PolarHBondContact O-N 2.87Å; N991-D993 VanDerWaalsContact C-N 3.28Å; N991-D993 PolarHBondContact O-N 3.5Å
992	E	57.1	Low	66.1	Low	65 Å²	65	77 Å²	77	30%	0.304	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.6	-175.8	-65.7	-163.3	138.5	0	0	115.3	S819 Q984 I989 L994	S819-E992 WeakPolarHBondContact CB-OE1 3.32Å; S819-E992 PolarHBondContact N-OE1 2.86Å; S819-E992 PolarHBondContact OG-OE1 2.86Å; Q984-E992 VanDerWaalsContact CG-OE2 3.28Å; Q984-E992 WeakPolarHBondContact CG-OE2 3.43Å; Q984-E992 PolarHBondContact NE2-OE2 3.43Å; I989-E992 HydrophobicContact CB-CG 4.23Å; E992-L994 PolarHBondContact O-N 3.34Å
993	D	50.8	Low	64.7	Low	169 Å²	169	77.5 Å²	77.5	90%	0.904	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	2.1	-177.7	-67.4	-50.8	0	0	0	115.3	N991	N991-D993 VanDerWaalsContact C-N 3.28Å; N991-D993 PolarHBondContact O-N 3.5Å
994	L	50.1	Low	63.4	Low	100 Å²	100	79.1 Å²	79.1	52%	0.524	43%	0.434	S	S	.	.	S	Bend	trans	-91.6	113.1	175.2	-75.7	92.7	0	0	0	111.2	E992	E992-L994 PolarHBondContact O-N 3.34Å
995	G	44.7	Very low	62.2	Low	55 Å²	55	75.6 Å²	75.6	57%	0.567	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-60.9	165.5	-177.4	0	0	0	0	0	115.7
996	P	47	Very low	60.8	Low	128 Å²	128	73.4 Å²	73.4	83%	0.831	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-59.9	140.5	-164.8	23.4	-35	0	0	0	113.7	S998	P996-S998 PolarHBondContact O-N 3.11Å
997	A	46.9	Very low	59.4	Low	37 Å²	37	74.7 Å²	74.7	31%	0.306	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-58.3	133.5	-174.7	0	0	0	0	0	113.2
998	S	45.3	Very low	57.9	Low	58 Å²	58	75.1 Å²	75.1	41%	0.406	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-66.1	139.7	168.2	-179	0	0	0	0	110.2	P996 L1000 D1001	P996-S998 PolarHBondContact O-N 3.11Å; S998-L1000 PolarHBondContact O-N 3.18Å; S998-L1000 VanDerWaalsContact O-N 3.08Å; S998-L1000 PolarHBondContact OG-N 3.08Å; S998-D1001 PolarHBondContact O-N 2.96Å
999	P	47.9	Very low	56.5	Low	55 Å²	55	75.5 Å²	75.5	36%	0.357	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-50.5	-35	173.1	-29.2	36.3	0	0	0	113.2	Y803 D1001 Y1005	Y803-P999 WeakPolarHBondContact OH-CB 3.35Å; P999-D1001 PolarHBondContact O-N 2.91Å; P999-Y1005 HydrophobicContact CB-CD1 4.36Å; P999-Y1005 HydrophobicContact CB-CE1 3.73Å; P999-Y1005 WeakPolarHBondContact O-CD1 3.44Å
1000	L	50.7	Low	55.4	Low	101 Å²	101	81.2 Å²	81.2	53%	0.529	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-69.7	4	-176.4	-66.7	169.5	0	0	0	115.1	S998 R1006 L1009	S998-L1000 PolarHBondContact O-N 3.18Å; S998-L1000 VanDerWaalsContact O-N 3.08Å; S998-L1000 PolarHBondContact OG-N 3.08Å; L1000-R1006 VanDerWaalsContact O-CZ 3.24Å; L1000-R1006 PolarHBondContact O-NE 3.15Å; L1000-R1006 PolarHBondContact O-NH2 2.9Å; L1000-R1006 VanDerWaalsContact O-NH2 3.12Å; L1000-L1009 HydrophobicContact CD2-CD1 3.98Å
1001	D	51.8	Low	55	Low	55 Å²	55	74.7 Å²	74.7	29%	0.294	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-103.1	-21.7	-175.5	-85.7	-28.4	0	0	0	117.4	R816 S998 P999 R1006	R816-D1001 IonicContact CZ-OD2 3.45Å; R816-D1001 IonicContact NH1-OD2 3.72Å; R816-D1001 PolarHBondContact NH1-OD2 2.94Å; R816-D1001 IonicContact NH2-OD2 2.68Å; R816-D1001 PolarHBondContact NH2-OD2 3.08Å; S998-D1001 PolarHBondContact O-N 2.96Å; P999-D1001 PolarHBondContact O-N 2.91Å; D1001-R1006 IonicContact OD1-NH2 3.81Å; D1001-R1006 PolarHBondContact OD1-NH2 2.88Å
1002	S	56.2	Low	54.6	Low	5 Å²	5	78 Å²	78	4%	0.035	43%	0.433	C	S	.	.			trans	-70.2	135.4	172.7	175.6	0	0	0	0	110.5	E812 F1004 Y1005 R1006	E812-S1002 WeakPolarHBondContact OE2-CA 3.37Å; E812-S1002 WeakPolarHBondContact OE2-CB 3.4Å; E812-S1002 PolarHBondContact OE2-OG 2.93Å; S1002-F1004 VanDerWaalsContact C-N 3.28Å; S1002-F1004 PolarHBondContact O-N 3.03Å; S1002-Y1005 PolarHBondContact O-N 2.87Å; S1002-R1006 PolarHBondContact O-N 2.64Å; S1002-R1006 VanDerWaalsContact O-N 3.08Å
1003	T	60	Low	54.5	Low	83 Å²	83	78.2 Å²	78.2	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-38.2	-178.5	72.6	0	0	0	0	110.9	E812 R1006 S1007	E812-T1003 VanDerWaalsContact OE1-CB 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CB 3.39Å; E812-T1003 VanDerWaalsContact OE1-CG2 3.28Å; E812-T1003 WeakPolarHBondContact OE1-CG2 3.42Å; E812-T1003 PolarHBondContact OE1-N 3.41Å; E812-T1003 PolarHBondContact OE1-OG1 3.29Å; T1003-R1006 PolarHBondContact O-N 3.28Å; T1003-S1007 WeakPolarHBondContact O-CB 3.31Å; T1003-S1007 PolarHBondContact O-N 3.39Å; T1003-S1007 VanDerWaalsContact O-N 3.08Å
1004	F	61.9	Low	54.6	Low	53 Å²	53	72.3 Å²	72.3	23%	0.232	40%	0.404	C	S	.	.	H	α-helix	trans	-59	-49.9	173.4	-172.3	-102.7	0	0	0	111.1	L726 P802 S1002 R1006 S1007 L1008	L726-F1004 HydrophobicContact CD2-CE2 3.88Å; L726-F1004 HydrophobicContact CD2-CZ 3.85Å; P802-F1004 WeakPolarHBondContact O-CD1 3.33Å; S1002-F1004 VanDerWaalsContact C-N 3.28Å; S1002-F1004 PolarHBondContact O-N 3.03Å; F1004-R1006 PolarHBondContact O-N 2.92Å; F1004-S1007 CarbonylContact O-C 3.56Å; F1004-S1007 WeakPolarHBondContact O-CA 3.26Å; F1004-S1007 PolarHBondContact O-N 3.43Å; F1004-S1007 VanDerWaalsContact O-N 3.1Å; F1004-S1007 PolarHBondContact O-OG 3.08Å; F1004-L1008 HydrophobicContact CD1-CD1 3.96Å; F1004-L1008 HydrophobicContact CD1-CG 4.45Å; F1004-L1008 HydrophobicContact CE1-CD1 3.68Å; F1004-L1008 HydrophobicContact CE1-CG 4.32Å; F1004-L1008 HydrophobicContact CZ-CD1 4.42Å; F1004-L1008 WeakPolarHBondContact O-CG 3.42Å; F1004-L1008 PolarHBondContact O-N 3.23Å; F1004-L1008 VanDerWaalsContact O-N 3.08Å
1005	Y	60.7	Low	54.6	Low	53 Å²	53	71.2 Å²	71.2	21%	0.208	42%	0.416	C	S	.	.	H	α-helix	trans	-60.9	-44.3	-179.8	-168.8	-93.9	0	0	0	112.8	P802 Y803 P999 S1002 S1007 L1008 L1009	P802-Y1005 HydrophobicContact CB-CD2 3.85Å; P802-Y1005 HydrophobicContact CB-CE2 3.91Å; P802-Y1005 HydrophobicContact CG-CD2 4.49Å; P802-Y1005 HydrophobicContact CG-CE2 4.3Å; P802-Y1005 WeakPolarHBondContact O-CD2 3.29Å; Y803-Y1005 HydrophobicContact CE1-CD2 4.23Å; Y803-Y1005 HydrophobicContact CE2-CD2 4.38Å; Y803-Y1005 HydrophobicContact CE2-CE2 4.36Å; P999-Y1005 HydrophobicContact CB-CD1 4.36Å; P999-Y1005 HydrophobicContact CB-CE1 3.73Å; P999-Y1005 WeakPolarHBondContact O-CD1 3.44Å; S1002-Y1005 PolarHBondContact O-N 2.87Å; Y1005-S1007 VanDerWaalsContact C-N 3.32Å; Y1005-S1007 PolarHBondContact O-N 2.98Å; Y1005-L1008 WeakPolarHBondContact O-CB 3.24Å; Y1005-L1008 PolarHBondContact O-N 3.02Å; Y1005-L1008 VanDerWaalsContact O-N 3.1Å; Y1005-L1009 HydrophobicContact CD1-CD1 3.85Å; Y1005-L1009 HydrophobicContact CD1-CG 4.36Å; Y1005-L1009 HydrophobicContact CE1-CD1 3.52Å; Y1005-L1009 HydrophobicContact CE1-CG 4.15Å; Y1005-L1009 PolarHBondContact O-N 3.27Å
1006	R	61.8	Low	55.2	Low	109 Å²	109	75.3 Å²	75.3	41%	0.411	43%	0.425	S	S	.	.	H	α-helix	trans	-56.8	-47.6	172.3	-67.2	-172	-167.1	119.8	1.7	111.1	L1000 D1001 S1002 T1003 F1004 L1008 L1009 E1010	L1000-R1006 VanDerWaalsContact O-CZ 3.24Å; L1000-R1006 PolarHBondContact O-NE 3.15Å; L1000-R1006 PolarHBondContact O-NH2 2.9Å; L1000-R1006 VanDerWaalsContact O-NH2 3.12Å; D1001-R1006 IonicContact OD1-NH2 3.81Å; D1001-R1006 PolarHBondContact OD1-NH2 2.88Å; S1002-R1006 PolarHBondContact O-N 2.64Å; S1002-R1006 VanDerWaalsContact O-N 3.08Å; T1003-R1006 PolarHBondContact O-N 3.28Å; F1004-R1006 PolarHBondContact O-N 2.92Å; R1006-L1008 PolarHBondContact O-N 3.4Å; R1006-L1008 VanDerWaalsContact O-N 3.08Å; R1006-L1009 PolarHBondContact O-N 3.39Å; R1006-E1010 PolarHBondContact O-N 3.37Å
1007	S	64.4	Low	56	Low	30 Å²	30	71.9 Å²	71.9	21%	0.21	40%	0.399	C	S	.	.	H	α-helix	trans	-66.7	-9.5	179.7	91.7	0	0	0	0	114.5	K724 T1003 F1004 Y1005	K724-S1007 PolarHBondContact NZ-O 3.42Å; T1003-S1007 WeakPolarHBondContact O-CB 3.31Å; T1003-S1007 PolarHBondContact O-N 3.39Å; T1003-S1007 VanDerWaalsContact O-N 3.08Å; F1004-S1007 CarbonylContact O-C 3.56Å; F1004-S1007 WeakPolarHBondContact O-CA 3.26Å; F1004-S1007 PolarHBondContact O-N 3.43Å; F1004-S1007 VanDerWaalsContact O-N 3.1Å; F1004-S1007 PolarHBondContact O-OG 3.08Å; Y1005-S1007 VanDerWaalsContact C-N 3.32Å; Y1005-S1007 PolarHBondContact O-N 2.98Å
1008	L	59.2	Low	56.7	Low	9 Å²	9	72.3 Å²	72.3	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-91.2	-22.5	170.4	-68.8	179.1	0	0	0	113.1	L726 K736 L800 P802 F1004 Y1005 R1006	L726-L1008 HydrophobicContact CD2-CD2 3.88Å; K736-L1008 HydrophobicContact CD-CD2 3.84Å; K736-L1008 HydrophobicContact CG-CD2 4.31Å; K736-L1008 PolarHBondContact NZ-O 3.23Å; L800-L1008 HydrophobicContact CD2-CD1 4.45Å; L800-L1008 HydrophobicContact CD2-CD2 4.42Å; P802-L1008 HydrophobicContact CB-CD1 3.99Å; F1004-L1008 HydrophobicContact CD1-CD1 3.96Å; F1004-L1008 HydrophobicContact CD1-CG 4.45Å; F1004-L1008 HydrophobicContact CE1-CD1 3.68Å; F1004-L1008 HydrophobicContact CE1-CG 4.32Å; F1004-L1008 HydrophobicContact CZ-CD1 4.42Å; F1004-L1008 WeakPolarHBondContact O-CG 3.42Å; F1004-L1008 PolarHBondContact O-N 3.23Å; F1004-L1008 VanDerWaalsContact O-N 3.08Å; Y1005-L1008 WeakPolarHBondContact O-CB 3.24Å; Y1005-L1008 PolarHBondContact O-N 3.02Å; Y1005-L1008 VanDerWaalsContact O-N 3.1Å; R1006-L1008 PolarHBondContact O-N 3.4Å; R1006-L1008 VanDerWaalsContact O-N 3.08Å
1009	L	58.3	Low	57.9	Low	91 Å²	91	71.9 Å²	71.9	48%	0.476	39%	0.392	S	S	.	.	H	α-helix	trans	-89.5	-16.5	-177.8	-70.5	178.7	0	0	0	114.2	L1000 Y1005 R1006 D1011	L1000-L1009 HydrophobicContact CD2-CD1 3.98Å; Y1005-L1009 HydrophobicContact CD1-CD1 3.85Å; Y1005-L1009 HydrophobicContact CD1-CG 4.36Å; Y1005-L1009 HydrophobicContact CE1-CD1 3.52Å; Y1005-L1009 HydrophobicContact CE1-CG 4.15Å; Y1005-L1009 PolarHBondContact O-N 3.27Å; R1006-L1009 PolarHBondContact O-N 3.39Å; L1009-D1011 PolarHBondContact O-N 3.34Å
1010	E	60.4	Low	58.9	Low	150 Å²	150	69.4 Å²	69.4	70%	0.701	38%	0.375	S	S	*	.			trans	-71.4	13.4	-176.6	-69.5	168.6	155.9	0	0	115.3	R1006	R1006-E1010 PolarHBondContact O-N 3.37Å
1011	D	58.2	Low	59.6	Low	53 Å²	53	67.8 Å²	67.8	28%	0.283	37%	0.365	S	S	.	.			trans	-113.3	120.1	178	-66.1	-52.9	0	0	0	110.5	K736 L1009 D1013 M1014	K736-D1011 IonicContact NZ-OD2 3.68Å; K736-D1011 PolarHBondContact NZ-OD2 3.27Å; L1009-D1011 PolarHBondContact O-N 3.34Å; D1011-D1013 VanDerWaalsContact C-N 3.27Å; D1011-D1013 PolarHBondContact O-N 3.43Å; D1011-D1013 VanDerWaalsContact O-N 3.1Å; D1011-M1014 HydrophobicContact CB-CG 4.19Å; D1011-M1014 WeakPolarHBondContact O-CG 3.43Å
1012	D	52.9	Low	60.3	Low	180 Å²	180	69.8 Å²	69.8	96%	0.963	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.2	-171.7	-77.3	-50.8	0	0	0	116.6	M1014	D1012-M1014 VanDerWaalsContact C-N 3.3Å; D1012-M1014 PolarHBondContact O-N 3.05Å
1013	D	54.7	Low	60.8	Low	68 Å²	68	71.4 Å²	71.4	36%	0.364	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	24.7	-168.4	-164	16.6	0	0	0	114.4	R721 K747 D1011	R721-D1013 IonicContact CZ-OD2 3.95Å; R721-D1013 IonicContact NH1-OD2 3.58Å; R721-D1013 PolarHBondContact NH1-OD2 3.17Å; R721-D1013 IonicContact NH2-OD2 2.8Å; R721-D1013 PolarHBondContact NH2-OD2 3.21Å; K747-D1013 PolarHBondContact NZ-O 3.21Å; K747-D1013 IonicContact NZ-OD1 3.51Å; K747-D1013 PolarHBondContact NZ-OD1 3.07Å; K747-D1013 IonicContact NZ-OD2 2.65Å; D1011-D1013 VanDerWaalsContact C-N 3.27Å; D1011-D1013 PolarHBondContact O-N 3.43Å; D1011-D1013 VanDerWaalsContact O-N 3.1Å
1014	M	53.9	Low	61	Low	46 Å²	46	69.5 Å²	69.5	23%	0.227	37%	0.365	C	S	.	.			trans	-113.7	10.9	-160.9	-57.9	-76.7	-73.6	0	0	114.7	I738 D1011 D1012 L1017	I738-M1014 HydrophobicContact CD1-SD 4.32Å; D1011-M1014 HydrophobicContact CB-CG 4.19Å; D1011-M1014 WeakPolarHBondContact O-CG 3.43Å; D1012-M1014 VanDerWaalsContact C-N 3.3Å; D1012-M1014 PolarHBondContact O-N 3.05Å; M1014-L1017 HydrophobicContact CB-CD1 3.85Å; M1014-L1017 HydrophobicContact CE-CD1 3.5Å; M1014-L1017 HydrophobicContact CG-CD1 4.41Å; M1014-L1017 WeakPolarHBondContact O-CD1 3.3Å; M1014-L1017 WeakPolarHBondContact O-CG 3.5Å; M1014-L1017 HydrophobicContact SD-CD1 3.85Å
1015	G	50.3	Low	60.4	Low	76 Å²	76	71.1 Å²	71.1	78%	0.784	38%	0.379	S	S	*	.	S	Bend	trans	-72.5	-31.3	-173	0	0	0	0	0	116.6
1016	D	56.7	Low	59.2	Low	142 Å²	142	74.1 Å²	74.1	76%	0.759	41%	0.405	S	S	*	.	S	Bend	trans	-117.4	70.9	-178.3	-69	-55.8	0	0	0	110.3
1017	L	63	Low	57.9	Low	55 Å²	55	73.4 Å²	73.4	29%	0.288	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-110.7	138.2	179.2	-65.3	175.5	0	0	0	111.7	I738 K747 M1014	I738-L1017 HydrophobicContact CD1-CD2 4.48Å; K747-L1017 HydrophobicContact CB-CD2 3.67Å; K747-L1017 HydrophobicContact CD-CD2 4.5Å; M1014-L1017 HydrophobicContact CB-CD1 3.85Å; M1014-L1017 HydrophobicContact CE-CD1 3.5Å; M1014-L1017 HydrophobicContact CG-CD1 4.41Å; M1014-L1017 WeakPolarHBondContact O-CD1 3.3Å; M1014-L1017 WeakPolarHBondContact O-CG 3.5Å; M1014-L1017 HydrophobicContact SD-CD1 3.85Å
1018	V	62.4	Low	56.3	Low	46 Å²	46	80.2 Å²	80.2	28%	0.279	44%	0.435	S	S	.	.			trans	-109.5	138.4	176.1	-179.1	0	0	0	0	109.5	V746 K747 P749 E1022	V746-V1018 HydrophobicContact CG1-CB 3.96Å; V746-V1018 HydrophobicContact CG1-CG2 3.77Å; K747-V1018 PolarHBondContact O-N 3.35Å; P749-V1018 WeakPolarHBondContact CD-O 3Å; V1018-E1022 HydrophobicContact CG1-CB 4.27Å; V1018-E1022 HydrophobicContact CG1-CG 4.28Å
1019	D	69.9	Low	55	Low	50 Å²	50	82.5 Å²	82.5	27%	0.267	46%	0.461	S	S	.	.			trans	-66.8	140.3	177.5	-175.7	-131.2	0	0	0	111.1	Q799 K854 E1021 E1022 Y1023	Q799-D1019 PolarHBondContact NE2-OD1 3.22Å; Q799-D1019 VanDerWaalsContact NE2-OD1 3.16Å; Q799-D1019 PolarHBondContact NE2-OD2 2.79Å; K854-D1019 IonicContact NZ-OD1 2.64Å; K854-D1019 PolarHBondContact NZ-OD1 3.35Å; K854-D1019 IonicContact NZ-OD2 2.72Å; D1019-E1021 PolarHBondContact O-N 3.02Å; D1019-E1021 VanDerWaalsContact O-N 3.16Å; D1019-E1022 HydrophobicContact CB-CB 4.09Å; D1019-E1022 WeakPolarHBondContact O-CB 3.25Å; D1019-E1022 PolarHBondContact O-N 3.2Å; D1019-Y1023 PolarHBondContact O-N 2.9Å
1020	A	68.8	Low	53.8	Low	2 Å²	2	86.3 Å²	86.3	2%	0.017	47%	0.474	C	S	.	.	H	α-helix	trans	-62.1	-28	-175.6	0	0	0	0	0	113.1	I748 L786 Q799 L1024	I748-A1020 HydrophobicContact CG2-CB 3.78Å; L786-A1020 HydrophobicContact CD1-CB 3.97Å; L786-A1020 HydrophobicContact CD2-CB 4.12Å; Q799-A1020 HydrophobicContact CB-CB 3.92Å; Q799-A1020 HydrophobicContact CG-CB 3.9Å; A1020-L1024 WeakPolarHBondContact O-CB 3.45Å; A1020-L1024 WeakPolarHBondContact O-CG 3.25Å; A1020-L1024 PolarHBondContact O-N 3.43Å
1021	E	66.2	Low	52.2	Low	67 Å²	67	87 Å²	87	31%	0.313	48%	0.475	S	S	.	.	H	α-helix	trans	-82	-30.1	174.7	-69.8	175.4	123.8	0	0	112.7	Q799 K854 K860 D1019 L1024 V1025	Q799-E1021 PolarHBondContact NE2-OE2 2.9Å; Q799-E1021 PolarHBondContact OE1-OE2 2.74Å; K854-E1021 IonicContact NZ-OE2 3.28Å; K854-E1021 PolarHBondContact NZ-OE2 2.9Å; K860-E1021 IonicContact NZ-OE1 3.21Å; K860-E1021 PolarHBondContact NZ-OE1 2.77Å; K860-E1021 IonicContact NZ-OE2 3.57Å; K860-E1021 PolarHBondContact NZ-OE2 2.79Å; D1019-E1021 PolarHBondContact O-N 3.02Å; D1019-E1021 VanDerWaalsContact O-N 3.16Å; E1021-L1024 PolarHBondContact O-N 3.42Å; E1021-V1025 VanDerWaalsContact O-CB 3.32Å; E1021-V1025 WeakPolarHBondContact O-CB 3.43Å; E1021-V1025 VanDerWaalsContact O-CG2 3.31Å; E1021-V1025 WeakPolarHBondContact O-CG2 3.43Å; E1021-V1025 PolarHBondContact O-N 3.13Å
1022	E	66.8	Low	50.9	Low	98 Å²	98	89.4 Å²	89.4	46%	0.458	50%	0.495	S	S	.	.	H	α-helix	trans	-67.1	-38.9	171.8	-176.3	175.9	-155.9	0	0	111.3	V1018 D1019	V1018-E1022 HydrophobicContact CG1-CB 4.27Å; V1018-E1022 HydrophobicContact CG1-CG 4.28Å; D1019-E1022 HydrophobicContact CB-CB 4.09Å; D1019-E1022 WeakPolarHBondContact O-CB 3.25Å; D1019-E1022 PolarHBondContact O-N 3.2Å
1023	Y	66.8	Low	49.9	Very low	38 Å²	38	87 Å²	87	15%	0.149	49%	0.489	C	S	.	.	H	α-helix	trans	-67.8	-32.1	173.6	-176.8	-98.4	0	0	0	113.3	L690 W739 P741 E744 V746 I748 D1019	L690-Y1023 HydrophobicContact CD2-CE2 4.18Å; L690-Y1023 WeakPolarHBondContact CD2-OH 3.27Å; W739-Y1023 HydrophobicContact CH2-CD1 4.43Å; W739-Y1023 AromaticContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CH2-CE1 3.81Å; W739-Y1023 HydrophobicContact CZ3-CD1 4.12Å; W739-Y1023 AromaticContact CZ3-CE1 3.92Å; W739-Y1023 HydrophobicContact CZ3-CE1 3.92Å; P741-Y1023 WeakPolarHBondContact CB-OH 3.49Å; P741-Y1023 HydrophobicContact CG-CE1 4.22Å; P741-Y1023 HydrophobicContact CG-CE2 4.37Å; P741-Y1023 VanDerWaalsContact CG-OH 3.22Å; P741-Y1023 WeakPolarHBondContact CG-OH 3.45Å; E744-Y1023 PolarHBondContact OE1-OH 3.31Å; V746-Y1023 HydrophobicContact CB-CE2 4.37Å; V746-Y1023 HydrophobicContact CG1-CD2 4.06Å; V746-Y1023 HydrophobicContact CG1-CE2 4.27Å; V746-Y1023 HydrophobicContact CG2-CE2 4.38Å; I748-Y1023 HydrophobicContact CD1-CD1 3.4Å; I748-Y1023 HydrophobicContact CD1-CD2 3.83Å; I748-Y1023 HydrophobicContact CD1-CE1 3.63Å; I748-Y1023 HydrophobicContact CD1-CE2 4.04Å; I748-Y1023 HydrophobicContact CD1-CG 3.5Å; I748-Y1023 HydrophobicContact CG1-CD2 4.49Å; I748-Y1023 HydrophobicContact CG1-CG 4.3Å; D1019-Y1023 PolarHBondContact O-N 2.9Å
1024	L	62.8	Low	48.9	Very low	43 Å²	43	90.6 Å²	90.6	23%	0.225	51%	0.508	C	S	.	.	H	α-helix	trans	-91.6	-13.9	-177.2	-72.8	-177.5	0	0	0	115.2	R713 L786 A1020 E1021	R713-L1024 VanDerWaalsContact NH2-CD2 3.26Å; L786-L1024 HydrophobicContact CD2-CD1 3.46Å; L786-L1024 VanDerWaalsContact CD2-CD1 3.46Å; A1020-L1024 WeakPolarHBondContact O-CB 3.45Å; A1020-L1024 WeakPolarHBondContact O-CG 3.25Å; A1020-L1024 PolarHBondContact O-N 3.43Å; E1021-L1024 PolarHBondContact O-N 3.42Å
1025	V	51.1	Low	48.1	Very low	88 Å²	88	94.2 Å²	94.2	53%	0.533	54%	0.535	S	S	.	.	S	Bend	trans	-115	110.8	-176.2	178.8	0	0	0	0	110.9	E1021 Q1027	E1021-V1025 VanDerWaalsContact O-CB 3.32Å; E1021-V1025 WeakPolarHBondContact O-CB 3.43Å; E1021-V1025 VanDerWaalsContact O-CG2 3.31Å; E1021-V1025 WeakPolarHBondContact O-CG2 3.43Å; E1021-V1025 PolarHBondContact O-N 3.13Å; V1025-Q1027 PolarHBondContact O-N 3.14Å
1026	P	34.7	Very low	47.5	Very low	116 Å²	116	95.1 Å²	95.1	75%	0.753	54%	0.535	S	S	*	.			trans	-67	91.3	176.8	-20.3	33.3	0	0	0	112.2	Q1028	P1026-Q1028 PolarHBondContact O-N 3.16Å; P1026-Q1028 VanDerWaalsContact O-N 3.1Å
1027	Q	34.7	Very low	46.5	Very low	93 Å²	93	94.8 Å²	94.8	44%	0.435	54%	0.54	S	S	.	.			trans	-65.4	111.1	-179.4	-67.2	-172.3	22.3	0	0	111.9	V1025 G1029	V1025-Q1027 PolarHBondContact O-N 3.14Å; Q1027-G1029 PolarHBondContact O-N 3.2Å
1028	Q	30.1	Very low	45	Very low	173 Å²	173	95.8 Å²	95.8	81%	0.808	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	73.8	166.9	-63.1	-167.5	36.4	0	0	110.2	P1026	P1026-Q1028 PolarHBondContact O-N 3.16Å; P1026-Q1028 VanDerWaalsContact O-N 3.1Å
1029	G	32.6	Very low	43.5	Very low	58 Å²	58	98.8 Å²	98.8	60%	0.598	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.4	-34.7	-179.2	0	0	0	0	0	115.4	Q1027 F1031	Q1027-G1029 PolarHBondContact O-N 3.2Å; G1029-F1031 PolarHBondContact O-N 2.77Å
1030	F	32.2	Very low	41.5	Very low	170 Å²	170	100.6 Å²	100.6	75%	0.746	62%	0.624	S	S	*	*			trans	-76	25.4	-174.2	-98.8	-82.5	0	0	0	115.8
1031	F	27.9	Very low	39.6	Very low	165 Å²	165	104.3 Å²	104.3	72%	0.724	66%	0.663	S	S	*	*			trans	-114.9	41.4	-173.9	-69.3	-69.6	0	0	0	114.5	G1029	G1029-F1031 PolarHBondContact O-N 2.77Å
1032	C	30.2	Very low	37.7	Very low	104 Å²	104	110.1 Å²	110.1	70%	0.703	69%	0.693	S	S	*	*			trans	-117.4	128	158.2	-82.6	0	0	0	0	110.2	D1034	C1032-D1034 PolarHBondContact O-N 3.46Å
1033	P	31.6	Very low	36	Very low	128 Å²	128	111.8 Å²	111.8	83%	0.831	71%	0.709	S	S	*	*			trans	-92.7	81.2	-179.8	35.9	-32.7	0	0	0	111.2
1034	D	33.9	Very low	34.2	Very low	145 Å²	145	118.3 Å²	118.3	78%	0.775	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-62	151.3	174.2	-80.1	-45.6	0	0	0	112.6	C1032	C1032-D1034 PolarHBondContact O-N 3.46Å
1035	P	36.9	Very low	32.7	Very low	121 Å²	121	125.2 Å²	125.2	79%	0.786	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-67.7	167.8	-176.2	-22	35.5	0	0	0	115.3
1036	A	37.8	Very low	31.7	Very low	95 Å²	95	131.7 Å²	131.7	79%	0.785	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.8	156.7	-175.7	0	0	0	0	0	113.8
1037	P	35.8	Very low	31.4	Very low	135 Å²	135	134.7 Å²	134.7	88%	0.877	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87	153.1	-153.5	33.8	-37.6	0	0	0	115.8
1038	G	31.9	Very low	31.1	Very low	76 Å²	76	141.1 Å²	141.1	78%	0.784	81%	0.81	S	S	*	*			trans	-131.3	115	171.7	0	0	0	0	0	112.9
1039	A	31.3	Very low	31	Very low	109 Å²	109	138.8 Å²	138.8	90%	0.901	81%	0.813	S	S	*	*			trans	22.2	104.3	159.9	0	0	0	0	0	121.3
1040	G	27.7	Very low	30.9	Very low	88 Å²	88	140.9 Å²	140.9	91%	0.907	82%	0.818	S	S	*	*			trans	95.8	132.3	135.5	0	0	0	0	0	118.3
1041	G	28.6	Very low	30.9	Very low	81 Å²	81	138.1 Å²	138.1	84%	0.835	82%	0.82	S	S	*	*			trans	140.3	118.3	170.8	0	0	0	0	0	113.3
1042	M	27	Very low	31	Very low	189 Å²	189	136.5 Å²	136.5	93%	0.931	82%	0.824	S	S	*	*			trans	-81	137.6	163.3	-63.5	161.5	60.9	0	0	108.9
1043	V	30.9	Very low	31.1	Very low	132 Å²	132	142.2 Å²	142.2	80%	0.8	83%	0.831	S	S	*	*			trans	-170	151.7	146.1	131.3	0	0	0	0	110.8
1044	H	28.2	Very low	31.2	Very low	176 Å²	176	141.8 Å²	141.8	82%	0.815	83%	0.831	S	S	*	*			trans	-74.3	140.6	179.9	-54	-100.8	0	0	0	112.8
1045	H	30.9	Very low	31	Very low	188 Å²	188	138.8 Å²	138.8	87%	0.87	83%	0.834	S	S	*	*			trans	-104.1	116.6	158.6	-91	-69.8	0	0	0	111.6
1046	R	30.2	Very low	30.7	Very low	224 Å²	224	137.3 Å²	137.3	85%	0.845	84%	0.84	S	S	*	*			trans	-80.7	140.7	168.9	-69	171.5	167.6	162.5	-6.8	109.5	R1048	R1046-R1048 PolarHBondContact O-N 3.42Å
1047	H	28.9	Very low	30.3	Very low	179 Å²	179	136.5 Å²	136.5	83%	0.829	84%	0.841	S	S	*	*			trans	-60.7	129.2	161.6	-73.8	-88.6	0	0	0	109.6
1048	R	28.8	Very low	30.1	Very low	227 Å²	227	137.5 Å²	137.5	86%	0.857	84%	0.839	S	S	*	*			trans	-113.1	82.6	-175.9	-170.9	-176.9	-174	177.8	1.4	110.9	R1046 S1050	R1046-R1048 PolarHBondContact O-N 3.42Å; R1048-S1050 PolarHBondContact O-N 3.46Å
1049	S	26.8	Very low	30	Very low	125 Å²	125	140.7 Å²	140.7	87%	0.874	84%	0.838	S	S	*	*			trans	-77.1	97.8	165	-55.8	0	0	0	0	109
1050	S	32	Very low	30.1	Very low	101 Å²	101	141.4 Å²	141.4	71%	0.706	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.3	119.3	-179.8	48.7	0	0	0	0	112.1	R1048	R1048-S1050 PolarHBondContact O-N 3.46Å
1051	S	32.3	Very low	30.2	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-65.9	151.6	171	-172.9	0	0	0	0	112
1052	T	28.5	Very low	30.3	Very low	132 Å²	132	144.6 Å²	144.6	81%	0.81	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.7	137.3	164.8	42.5	0	0	0	0	111.3
1053	R	32.5	Very low	30.7	Very low	224 Å²	224	143.7 Å²	143.7	85%	0.845	82%	0.821	S	S	*	*			trans	-159.7	139.2	150.7	-158	167	-179.2	168.9	-2.6	111
1054	S	33.8	Very low	30.8	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	82%	0.82	S	S	*	*			trans	-93.3	154.7	-179.4	-42.8	0	0	0	0	112.8
1055	G	30	Very low	31.1	Very low	81 Å²	81	142.2 Å²	142.2	84%	0.835	82%	0.815	S	S	*	*			trans	90.1	140.1	143.4	0	0	0	0	0	118.4
1056	G	30.5	Very low	31.3	Very low	90 Å²	90	139 Å²	139	93%	0.928	81%	0.814	S	S	*	*			trans	99.6	128	169.2	0	0	0	0	0	114.5
1057	G	29.5	Very low	31.4	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	82%	0.817	S	S	*	*			trans	-153.6	165.6	170.4	0	0	0	0	0	110.7
1058	D	32.1	Very low	31.6	Very low	156 Å²	156	138.8 Å²	138.8	83%	0.834	82%	0.823	S	S	*	*			trans	-155.5	173.8	161.8	-152.9	-8	0	0	0	110.5
1059	L	29.7	Very low	31.8	Very low	143 Å²	143	137.1 Å²	137.1	75%	0.749	83%	0.825	S	S	*	*			trans	-84.1	153.4	-165.5	-59.2	155.1	0	0	0	113.7
1060	T	32.5	Very low	32	Very low	124 Å²	124	135.2 Å²	135.2	76%	0.761	82%	0.817	S	S	*	*				172.9	129.9	106.4	32.7	0	0	0	0	115.5
1061	L	31.3	Very low	32.3	Very low	172 Å²	172	136 Å²	136	90%	0.901	82%	0.819	S	S	*	*			trans	38.2	132.6	136.5	-62.1	166.1	0	0	0	122.6
1062	G	30.6	Very low	32.4	Very low	65 Å²	65	141.6 Å²	141.6	67%	0.67	82%	0.823	S	S	*	*			trans	165.8	70.5	149.9	0	0	0	0	0	121.1
1063	L	34.7	Very low	32.6	Very low	169 Å²	169	140.6 Å²	140.6	89%	0.885	82%	0.822	S	S	*	*			trans	58.6	153.6	152	-70.8	72.3	0	0	0	118.6
1064	E	33.1	Very low	32.9	Very low	168 Å²	168	134.7 Å²	134.7	79%	0.785	81%	0.812	S	S	*	*			cis	-156.9	158	-14.4	-99.8	-91.3	92.7	0	0	107.1
1065	P	34.9	Very low	32.9	Very low	110 Å²	110	137.1 Å²	137.1	71%	0.714	82%	0.815	S	S	*	*			trans	-100.3	168.6	-174.9	39	-34.1	0	0	0	114.5
1066	S	34.5	Very low	33.2	Very low	121 Å²	121	137.2 Å²	137.2	85%	0.846	81%	0.808	S	S	*	*			trans	-150.4	119.3	161.6	61.2	0	0	0	0	111.8
1067	E	31.7	Very low	33.9	Very low	194 Å²	194	138.8 Å²	138.8	91%	0.907	80%	0.802	S	S	*	*			trans	-89.5	153.9	174.2	-58.8	166.1	112.2	0	0	110.8
1068	E	34.8	Very low	34.3	Very low	204 Å²	204	140.2 Å²	140.2	95%	0.953	80%	0.799	S	S	*	*			trans	-148.3	147.3	156.5	-148.8	170.3	-167.2	0	0	110.7
1069	E	32.6	Very low	34.5	Very low	192 Å²	192	141.7 Å²	141.7	90%	0.897	80%	0.801	S	S	*	*			trans	-117	173.2	-153.8	-142.3	-170.5	147.5	0	0	115
1070	A	31.2	Very low	34.9	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	80%	0.8	S	S	*	*			trans	-72.9	171.2	-171.8	0	0	0	0	0	115.2
1071	P	37.7	Very low	35.3	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	81%	0.808	S	S	*	*				-153	131.3	101.1	35.8	-16.7	0	0	0	119.2
1072	R	35	Very low	35.5	Very low	229 Å²	229	132.6 Å²	132.6	86%	0.864	80%	0.797	S	S	*	*				48.8	106.7	127.9	-59.8	179.2	175.3	165.9	0.4	123.3
1073	S	32	Very low	35.8	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	80%	0.801	S	S	*	*				63.4	176	125.7	74.9	0	0	0	0	120.1
1074	P	37.8	Very low	35.9	Very low	100 Å²	100	133.5 Å²	133.5	65%	0.649	80%	0.796	S	S	*	*			cis	-138.2	176.7	-0.8	45.2	-28.4	0	0	0	117.5
1075	L	34.5	Very low	36.1	Very low	170 Å²	170	130.5 Å²	130.5	89%	0.89	79%	0.789	S	S	*	*			trans	64.1	156.9	160	-64	158.4	0	0	0	119.5
1076	A	35.9	Very low	36.1	Very low	83 Å²	83	134 Å²	134	69%	0.686	79%	0.793	S	S	*	*			cis	163.6	-171.6	-36.4	0	0	0	0	0	108.6
1077	P	45.1	Very low	36.2	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	79%	0.79	S	S	*	*				-134.2	-179.7	-101.8	41.6	-22.2	0	0	0	116.5
1078	S	37.8	Very low	36.4	Very low	107 Å²	107	129.1 Å²	129.1	75%	0.748	78%	0.779	S	S	*	*			trans	178.7	146.7	164.7	-113.7	0	0	0	0	107.9
1079	E	37.1	Very low	36.5	Very low	187 Å²	187	126.8 Å²	126.8	87%	0.874	77%	0.774	S	S	*	*			cis	-148.4	171.8	-7.4	-62.4	-166.4	164.3	0	0	107.8
1080	G	37.9	Very low	36.5	Very low	70 Å²	70	125.5 Å²	125.5	72%	0.722	77%	0.772	S	S	*	*			cis	177.5	162.2	-6.2	0	0	0	0	0	113.4
1081	A	40.4	Very low	36.7	Very low	114 Å²	114	125.5 Å²	125.5	94%	0.942	78%	0.78	S	S	*	*			trans	60.6	127.8	170.7	0	0	0	0	0	120.1
1082	G	36.5	Very low	36.3	Very low	64 Å²	64	129.4 Å²	129.4	66%	0.66	79%	0.79	S	S	*	*			cis	167.6	152.1	-12.4	0	0	0	0	0	116
1083	S	37	Very low	36.2	Very low	107 Å²	107	122.2 Å²	122.2	75%	0.748	79%	0.788	S	S	*	*			trans	65.7	147.2	158.8	62.2	0	0	0	0	122.6
1084	D	35.4	Very low	36.2	Very low	146 Å²	146	122.2 Å²	122.2	78%	0.781	80%	0.795	S	S	*	*			cis	-167.3	124.8	-26.7	-97.6	-28	0	0	0	114.4
1085	V	37.6	Very low	36.1	Very low	106 Å²	106	122.5 Å²	122.5	64%	0.642	81%	0.806	S	S	*	*			trans	57.4	150.7	136.3	-151.3	0	0	0	0	124.9
1086	F	35.1	Very low	35.9	Very low	182 Å²	182	124.8 Å²	124.8	80%	0.798	81%	0.808	S	S	*	*			trans	89.4	138	161.2	-64.4	-81.6	0	0	0	119.3
1087	D	37.3	Very low	35.7	Very low	147 Å²	147	124.1 Å²	124.1	79%	0.786	81%	0.809	S	S	*	*			cis	-170.3	164.5	-26.5	-145.2	-20.5	0	0	0	112.6
1088	G	36	Very low	35.1	Very low	66 Å²	66	125.5 Å²	125.5	68%	0.68	81%	0.809	S	S	*	*			trans	76	154.7	162	0	0	0	0	0	118.3
1089	D	36	Very low	34.9	Very low	156 Å²	156	129 Å²	129	83%	0.834	81%	0.814	S	S	*	*			cis	-153	170.2	-7.6	-166.9	11.8	0	0	0	110.4
1090	L	33.8	Very low	34.8	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	81%	0.812	S	S	*	*			trans	-93.5	160.9	-166.9	-68.3	83.4	0	0	0	115.3
1091	G	33.9	Very low	34.3	Very low	84 Å²	84	129.6 Å²	129.6	87%	0.866	82%	0.815	S	S	*	*			trans	-162.6	98.8	166.5	0	0	0	0	0	114.1
1092	M	30.4	Very low	34.1	Very low	199 Å²	199	129.7 Å²	129.7	98%	0.98	81%	0.806	S	S	*	*			trans	-119.3	135.5	-178.8	-164.2	83.6	170.7	0	0	110.7
1093	G	33.2	Very low	34	Very low	79 Å²	79	131.8 Å²	131.8	81%	0.814	81%	0.806	S	S	*	*			trans	-175.7	144.3	175.5	0	0	0	0	0	114.9
1094	A	30.6	Very low	33.9	Very low	112 Å²	112	134.5 Å²	134.5	93%	0.926	81%	0.807	S	S	*	*			trans	-145.6	142.8	-178.3	0	0	0	0	0	112.5
1095	A	36	Very low	33.9	Very low	106 Å²	106	134 Å²	134	88%	0.876	80%	0.804	S	S	*	*			trans	-156.4	177.8	176.1	0	0	0	0	0	112
1096	K	30.5	Very low	33.9	Very low	218 Å²	218	134.5 Å²	134.5	95%	0.948	81%	0.809	S	S	*	*			trans	-131.9	152.4	-165.9	-65.9	175.5	174.1	177.4	0	115.1
1097	G	31.9	Very low	33.6	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	81%	0.806	S	S	*	*			trans	99.9	165.8	157.3	0	0	0	0	0	116.5
1098	L	32.9	Very low	33.4	Very low	153 Å²	153	129.4 Å²	129.4	80%	0.801	81%	0.805	S	S	*	*			cis	-175.7	140.8	-16.3	-121.6	157.6	0	0	0	109.6
1099	Q	34.1	Very low	33.1	Very low	181 Å²	181	133.7 Å²	133.7	85%	0.846	81%	0.811	S	S	*	*			trans	71.8	155.7	170.4	-52.8	170.3	0.3	0	0	115.7
1100	S	33.4	Very low	32.8	Very low	120 Å²	120	134.2 Å²	134.2	84%	0.839	81%	0.809	S	S	*	*			cis	-147.6	176.5	15.1	58	0	0	0	0	115.3
1101	L	28.2	Very low	32.5	Very low	148 Å²	148	135.6 Å²	135.6	78%	0.775	80%	0.803	S	S	*	*			trans	-91.7	170.8	-174.3	-108.8	96.8	0	0	0	114.5	T1103	L1101-T1103 HydrophobicContact CD2-CG2 4.25Å
1102	P	36.4	Very low	32.3	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	81%	0.807	S	S	*	*				-159	139.8	65.2	41.2	-17.3	0	0	0	123.3
1103	T	33.9	Very low	32.2	Very low	107 Å²	107	137.6 Å²	137.6	66%	0.656	79%	0.787	S	S	*	*			trans	33.6	122.3	136.3	61.5	0	0	0	0	126.5	L1101	L1101-T1103 HydrophobicContact CD2-CG2 4.25Å
1104	H	35.8	Very low	32.1	Very low	165 Å²	165	143 Å²	143	76%	0.764	79%	0.791	S	S	*	*				176.7	117.5	117.4	-99	-65.1	0	0	0	109.6
1105	D	34.9	Very low	32.3	Very low	135 Å²	135	145 Å²	145	72%	0.722	79%	0.786	S	S	*	*				71.6	139	97.4	-83	-39	0	0	0	117.5
1106	P	36.7	Very low	32.2	Very low	116 Å²	116	144.4 Å²	144.4	75%	0.753	77%	0.774	S	S	*	*			cis	-137.1	176.7	-40.7	35	-15.5	0	0	0	115.4
1107	S	30.3	Very low	32.2	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	76%	0.762	S	S	*	*			trans	-39.3	173.5	175	-48.9	0	0	0	0	119.6
1108	P	32.9	Very low	32.1	Very low	118 Å²	118	142.6 Å²	142.6	77%	0.766	77%	0.767	S	S	*	*			cis	-126.6	163.8	3.9	45.1	-31.4	0	0	0	113.8
1109	L	29.5	Very low	32.2	Very low	156 Å²	156	141.2 Å²	141.2	82%	0.817	77%	0.767	S	S	*	*			cis	74	137.4	26.6	-84.3	173.9	0	0	0	117.8
1110	Q	29.5	Very low	32.1	Very low	167 Å²	167	140 Å²	140	78%	0.78	77%	0.766	S	S	*	*			trans	78.2	139.7	-169.3	-52.2	179.7	15.4	0	0	114.1
1111	R	27.8	Very low	32.1	Very low	195 Å²	195	140 Å²	140	74%	0.736	76%	0.762	S	S	*	*			cis	-157.6	137.2	-6.5	-121.6	175.5	-174.3	164.6	-1.5	108.1
1112	Y	28.7	Very low	32.3	Very low	243 Å²	243	137.9 Å²	137.9	95%	0.953	76%	0.76	S	S	*	*			trans	-128.3	86.8	160.6	-90.7	-73.5	0	0	0	108.6
1113	S	29.4	Very low	32	Very low	81 Å²	81	141 Å²	141	57%	0.566	77%	0.765	S	S	*	*			trans	-157.5	125.2	-179.8	-46.6	0	0	0	0	108.9
1114	E	31.5	Very low	31.9	Very low	192 Å²	192	142.9 Å²	142.9	90%	0.897	78%	0.776	S	S	*	*			trans	71	149.9	149.8	-56.7	171.4	124	0	0	120.6
1115	D	33	Very low	31.6	Very low	155 Å²	155	142.9 Å²	142.9	83%	0.829	78%	0.782	S	S	*	*			trans	-60.5	176.5	154	-135.9	2	0	0	0	109.5
1116	P	35.8	Very low	31.4	Very low	94 Å²	94	140 Å²	140	61%	0.61	78%	0.784	S	S	*	*			cis	-141.6	-162.1	0.8	37.2	-12.9	0	0	0	114.5
1117	T	29.3	Very low	31	Very low	116 Å²	116	144.9 Å²	144.9	71%	0.712	79%	0.789	S	S	*	*			trans	21	113.3	152.1	54.7	0	0	0	0	121.7
1118	V	30.9	Very low	31.1	Very low	132 Å²	132	146.9 Å²	146.9	80%	0.8	80%	0.796	S	S	*	*				24.5	121.6	128.4	179.6	0	0	0	0	118.7
1119	P	34.8	Very low	30.9	Very low	123 Å²	123	144.8 Å²	144.8	80%	0.799	79%	0.789	S	S	*	*				-143.4	166.9	111.4	33.2	-15.9	0	0	0	117.4
1120	L	30.7	Very low	30.9	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	79%	0.789	S	S	*	*			trans	-66.1	172.7	176	-104.2	75.3	0	0	0	114.1
1121	P	33.6	Very low	31	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	80%	0.795	S	S	*	*			cis	-125.7	-163.7	23.7	45.9	-29.9	0	0	0	113.5
1122	S	33.9	Very low	31	Very low	105 Å²	105	141.1 Å²	141.1	73%	0.734	80%	0.801	S	S	*	*			cis	-153.9	160.7	13	56.8	0	0	0	0	115.5
1123	E	29	Very low	31	Very low	182 Å²	182	134.6 Å²	134.6	85%	0.85	79%	0.79	S	S	*	*			trans	-14.2	115.7	165.9	-57.6	179.3	135.4	0	0	120.5
1124	T	32.5	Very low	30.8	Very low	146 Å²	146	135.8 Å²	135.8	90%	0.896	80%	0.798	S	S	*	*				-169.5	147.5	113.5	14.1	0	0	0	0	111.4
1125	D	29.4	Very low	30.9	Very low	165 Å²	165	132.5 Å²	132.5	88%	0.882	79%	0.794	S	S	*	*			trans	-78.9	151.5	-168	-66.3	-72.8	0	0	0	116.3
1126	G	29.9	Very low	30.6	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	80%	0.796	S	S	*	*			trans	-176.7	51.7	177.8	0	0	0	0	0	116.6
1127	Y	28.3	Very low	30.4	Very low	219 Å²	219	134.5 Å²	134.5	86%	0.859	80%	0.799	S	S	*	*			trans	-67.5	133.6	-179.5	-102.3	-90.6	0	0	0	114.5
1128	V	33.8	Very low	30.4	Very low	146 Å²	146	138 Å²	138	89%	0.885	81%	0.807	S	S	*	*			trans	-139.2	133.8	152.6	-177.3	0	0	0	0	108.1
1129	A	27.7	Very low	30.3	Very low	75 Å²	75	137.9 Å²	137.9	62%	0.62	79%	0.793	S	S	*	*			trans	-129.8	153	-170.4	0	0	0	0	0	113.4
1130	P	29.8	Very low	30	Very low	124 Å²	124	138.6 Å²	138.6	81%	0.805	80%	0.795	S	S	*	*	S	Bend	trans	-87.5	115.3	166.8	0	19.7	0	0	0	111.7
1131	L	31.2	Very low	30.1	Very low	175 Å²	175	138 Å²	138	92%	0.916	79%	0.793	S	S	*	*			trans	42.8	101	152.7	-61.8	171.3	0	0	0	118.7
1132	T	28.2	Very low	29.9	Very low	141 Å²	141	141.4 Å²	141.4	87%	0.865	80%	0.799	S	S	*	*			trans	-69.9	136.1	172.4	51	0	0	0	0	113.9
1133	C	27.6	Very low	29.7	Very low	106 Å²	106	142.2 Å²	142.2	72%	0.716	80%	0.801	S	S	*	*			trans	-121.5	109.7	153.2	-163.1	0	0	0	0	108.9
1134	S	26.4	Very low	29.9	Very low	106 Å²	106	141.3 Å²	141.3	74%	0.741	80%	0.802	S	S	*	*			trans	-160.1	128.6	179.6	-67.4	0	0	0	0	110
1135	P	33.8	Very low	30	Very low	124 Å²	124	140.6 Å²	140.6	81%	0.805	80%	0.797	S	S	*	*				-120.7	154.2	119.4	-3.1	23.2	0	0	0	111.6
1136	Q	26.9	Very low	30	Very low	188 Å²	188	142.2 Å²	142.2	88%	0.879	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-72.6	135	172.2	-62.3	167.4	-85.9	0	0	110.3	E1138	Q1136-E1138 PolarHBondContact O-N 3.14Å
1137	P	31.1	Very low	30.2	Very low	102 Å²	102	144.6 Å²	144.6	66%	0.662	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.3	118.5	160.8	30.3	-30.3	0	0	0	109.1
1138	E	28.7	Very low	30.4	Very low	189 Å²	189	141.6 Å²	141.6	88%	0.883	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-79.4	129.2	178.5	-165	167.4	-147.4	0	0	110.3	Q1136 V1140	Q1136-E1138 PolarHBondContact O-N 3.14Å; E1138-V1140 PolarHBondContact O-N 2.82Å
1139	Y	28.2	Very low	30.8	Very low	130 Å²	130	139.8 Å²	139.8	51%	0.51	78%	0.778	S	S	.	*	P	Polyproline II helix	trans	-75.6	124.4	-174.3	-86.8	-100	0	0	0	112.1	I949 M953	I949-Y1139 WeakPolarHBondContact CD1-OH 3.41Å; M953-Y1139 WeakPolarHBondContact CE-OH 3.45Å
1140	V	29.8	Very low	31.5	Very low	139 Å²	139	142.3 Å²	142.3	84%	0.842	79%	0.788	S	S	*	*			trans	-113.3	117.1	166.2	-177.9	0	0	0	0	109.2	E1138	E1138-V1140 PolarHBondContact O-N 2.82Å
1141	N	32.7	Very low	31.8	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-88.9	171.4	178.9	-93.7	-55.4	0	0	0	112.8
1142	Q	28.9	Very low	32.3	Very low	189 Å²	189	138.5 Å²	138.5	88%	0.883	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-63.3	163	-172.7	-84.4	-179.6	-15.5	0	0	115.3
1143	P	30.7	Very low	32.8	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-91.9	160.5	-152.6	36.4	-37.5	0	0	0	115
1144	D	33.1	Very low	33.3	Very low	162 Å²	162	145 Å²	145	87%	0.866	78%	0.778	S	S	*	*			trans	-142.3	172.7	165.2	-140.2	-33.5	0	0	0	112.1
1145	V	33.3	Very low	33.9	Very low	131 Å²	131	143.3 Å²	143.3	79%	0.794	78%	0.777	S	S	*	*			trans	-89	149.2	-151.1	-178.4	0	0	0	0	116.1
1146	R	30.6	Very low	34.3	Very low	199 Å²	199	142.8 Å²	142.8	75%	0.751	77%	0.773	S	S	*	*			trans	-36.6	157	166.2	-92.8	-174.9	177.2	-173.6	1.3	115.6
1147	P	34.4	Very low	34.9	Very low	125 Å²	125	141.6 Å²	141.6	81%	0.812	77%	0.772	S	S	*	*			cis	-144.3	171.4	41.1	38.6	-17.4	0	0	0	120.9
1148	Q	32.4	Very low	35.3	Very low	155 Å²	155	142 Å²	142	72%	0.724	78%	0.775	S	S	*	*			trans	-46.5	172.2	-175.8	-83.8	-179.2	-47.1	0	0	122.1
1149	P	41.9	Very low	35.6	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	77%	0.772	S	S	*	*			trans	-108.4	-165.4	-160.1	44.2	-36.5	0	0	0	114.8
1150	P	42.3	Very low	36.1	Very low	128 Å²	128	136.4 Å²	136.4	83%	0.831	79%	0.788	S	S	*	*				-136	173.8	117	38.9	-29	0	0	0	115.6
1151	S	36.3	Very low	36.4	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	79%	0.791	S	S	*	*			trans	-121	-153.2	-177.5	64.2	0	0	0	0	110.2
1152	P	41	Very low	36.6	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	79%	0.793	S	S	*	*			cis	-126.2	-175.1	-39.3	37	-22.1	0	0	0	111.9
1153	R	38.1	Very low	36.7	Very low	218 Å²	218	136.1 Å²	136.1	82%	0.823	79%	0.79	S	S	*	*			trans	-169	126.1	144.5	-116.1	175.7	170.3	142.7	6.2	118.5
1154	E	39.5	Very low	36.7	Very low	166 Å²	166	133.8 Å²	133.8	78%	0.776	79%	0.788	S	S	*	*			trans	26.7	138	130.3	-52.5	171.2	128.6	0	0	119.9
1155	G	39.1	Very low	36.8	Very low	70 Å²	70	131.1 Å²	131.1	72%	0.722	79%	0.788	S	S	*	*			cis	-171.9	-141.8	11	0	0	0	0	0	114.4
1156	P	41.7	Very low	36.6	Very low	113 Å²	113	131.3 Å²	131.3	73%	0.734	79%	0.79	S	S	*	*				-141.2	154.1	-92.8	39.9	-24.2	0	0	0	120.2
1157	L	38.6	Very low	36.6	Very low	162 Å²	162	130.3 Å²	130.3	85%	0.848	80%	0.799	S	S	*	*			trans	69.6	168.3	141.6	-69.6	170.4	0	0	0	121.1
1158	P	41	Very low	36.3	Very low	110 Å²	110	132.7 Å²	132.7	71%	0.714	80%	0.799	S	S	*	*			cis	-144.3	172.7	-34.6	38.9	-20.9	0	0	0	118.7
1159	A	33.9	Very low	36.2	Very low	100 Å²	100	135.1 Å²	135.1	83%	0.826	80%	0.802	S	S	*	*			trans	73	116.4	136.8	0	0	0	0	0	124.7
1160	A	39.5	Very low	35.8	Very low	102 Å²	102	135.3 Å²	135.3	84%	0.843	80%	0.803	S	S	*	*				-156.6	131.4	123.5	0	0	0	0	0	112.2
1161	R	35.1	Very low	35.3	Very low	243 Å²	243	137.9 Å²	137.9	92%	0.917	80%	0.801	S	S	*	*			trans	-162.9	152.3	172.3	-119.7	-175.9	-173.7	-172.4	3.4	106.8
1162	P	37.6	Very low	34.9	Very low	124 Å²	124	139.1 Å²	139.1	81%	0.805	80%	0.804	S	S	*	*				-155.3	-177.4	85.1	41.8	-22	0	0	0	117.6
1163	A	31.9	Very low	34.3	Very low	101 Å²	101	141.5 Å²	141.5	84%	0.835	81%	0.81	S	S	*	*			trans	-21.2	163.5	159.8	0	0	0	0	0	120.2
1164	G	30	Very low	33.8	Very low	72 Å²	72	136.9 Å²	136.9	74%	0.742	81%	0.811	S	S	*	*			cis	163.2	-138	2.4	0	0	0	0	0	112.5
1165	A	34	Very low	33.6	Very low	106 Å²	106	135 Å²	135	88%	0.876	81%	0.813	S	S	*	*			trans	78.9	104.2	176.4	0	0	0	0	0	118.4
1166	T	29.4	Very low	33.3	Very low	136 Å²	136	135.7 Å²	135.7	83%	0.834	82%	0.82	S	S	*	*			trans	-50.3	149.3	157.5	46.2	0	0	0	0	115.5
1167	L	31.5	Very low	32.6	Very low	177 Å²	177	139.3 Å²	139.3	93%	0.927	83%	0.825	S	S	*	*			trans	-155.4	153.1	144.2	-129.9	140	0	0	0	111.4
1168	E	27.1	Very low	32.2	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	82%	0.823	S	S	*	*			trans	-97.7	164.5	-170.5	-63.5	-168.3	101.2	0	0	115.1
1169	R	31.6	Very low	31.6	Very low	205 Å²	205	137 Å²	137	77%	0.774	82%	0.824	S	S	*	*			trans	8.3	148.5	146.4	-106.4	-177.4	-173.8	173.2	5.7	120
1170	P	32.7	Very low	31.4	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	82%	0.821	S	S	*	*				-146.2	168.6	73.4	38.7	-21.2	0	0	0	117.9
1171	K	32.5	Very low	30.8	Very low	181 Å²	181	139.8 Å²	139.8	79%	0.787	82%	0.82	S	S	*	*			trans	-85.6	136.5	157.1	-71	-179.1	173.6	-175.6	0	109.1
1172	T	26.6	Very low	30.3	Very low	134 Å²	134	136.7 Å²	136.7	82%	0.822	81%	0.813	S	S	*	*			trans	-159.1	152.4	154.1	8.1	0	0	0	0	112.1
1173	L	28.1	Very low	29.8	Very low	163 Å²	163	135.9 Å²	135.9	85%	0.853	80%	0.802	S	S	*	*			trans	-82.9	159.1	178	-73.4	65.1	0	0	0	111.8
1174	S	29.3	Very low	29.6	Very low	120 Å²	120	138.1 Å²	138.1	84%	0.839	81%	0.805	S	S	*	*			trans	-155.5	149.7	135.4	-84.1	0	0	0	0	111.5
1175	P	34.9	Very low	29.4	Very low	126 Å²	126	143 Å²	143	82%	0.818	81%	0.806	S	S	*	*			trans	-103.4	138.9	-164.9	37.2	-32.3	0	0	0	114.8
1176	G	31.8	Very low	29.1	Very low	85 Å²	85	141.8 Å²	141.8	88%	0.876	80%	0.796	S	S	*	*			trans	-95.1	133.4	163.6	0	0	0	0	0	110.9
1177	K	28.3	Very low	29	Very low	189 Å²	189	145.4 Å²	145.4	82%	0.822	80%	0.801	S	S	*	*			trans	-121.9	147.9	-172.7	-136.3	-176.1	-174	-179.5	0	111.7
1178	N	29.6	Very low	29	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	80%	0.795	S	S	*	*			trans	80.7	133	167.6	-45.2	-22.7	0	0	0	116.8
1179	G	29	Very low	29.2	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	80%	0.797	S	S	*	*			trans	136.5	45.2	177.4	0	0	0	0	0	113.7
1180	V	27.9	Very low	29	Very low	127 Å²	127	131.3 Å²	131.3	77%	0.77	80%	0.799	S	S	*	*				75.5	101.9	87.2	173.1	0	0	0	0	113.8
1181	V	27.1	Very low	28.9	Very low	135 Å²	135	129.5 Å²	129.5	82%	0.818	79%	0.786	S	S	*	*			trans	63.6	139.2	143	169	0	0	0	0	118.7
1182	K	26.2	Very low	28.8	Very low	178 Å²	178	130.1 Å²	130.1	77%	0.774	79%	0.792	S	S	*	*			cis	-170.9	176.7	-22.1	-161.2	-173.6	172.3	-163.9	0	106.8
1183	D	26.1	Very low	29	Very low	106 Å²	106	130.3 Å²	130.3	57%	0.567	79%	0.788	S	S	*	*			trans	91.8	95.3	164.1	-56.4	-12.4	0	0	0	116.6	F1185	D1183-F1185 HydrophobicContact CB-CD2 4.24Å; D1183-F1185 HydrophobicContact CB-CE2 4.29Å
1184	V	27.3	Very low	29.5	Very low	149 Å²	149	127.5 Å²	127.5	90%	0.903	78%	0.779	S	S	*	*			trans	-120.4	127.2	148.3	177.1	0	0	0	0	105.4
1185	F	26.1	Very low	29.7	Very low	174 Å²	174	129 Å²	129	76%	0.763	77%	0.773	S	S	*	*			trans	-117.3	162.3	-175.2	-96.2	-90.5	0	0	0	110.7	D1183	D1183-F1185 HydrophobicContact CB-CD2 4.24Å; D1183-F1185 HydrophobicContact CB-CE2 4.29Å
1186	A	28	Very low	29.6	Very low	81 Å²	81	133.4 Å²	133.4	67%	0.669	77%	0.774	S	S	*	*			trans	67	118.8	-179.4	0	0	0	0	0	113.5
1187	F	27.5	Very low	29.5	Very low	212 Å²	212	135.7 Å²	135.7	93%	0.93	77%	0.766	S	S	*	*			cis	59.5	131.6	32.7	-61.6	-88.5	0	0	0	114
1188	G	32	Very low	29.8	Very low	79 Å²	79	132.5 Å²	132.5	81%	0.814	76%	0.763	S	S	*	*			cis	-172.9	-171.6	-1.6	0	0	0	0	0	109.5
1189	G	30.3	Very low	30.2	Very low	83 Å²	83	130.4 Å²	130.4	86%	0.856	76%	0.757	S	S	*	*			cis	173.4	154.7	-2.7	0	0	0	0	0	109.6
1190	A	28.2	Very low	30.4	Very low	99 Å²	99	136.5 Å²	136.5	82%	0.818	77%	0.767	S	S	*	*			trans	-131.7	123.6	176.8	0	0	0	0	0	110.3
1191	V	30.9	Very low	30.6	Very low	76 Å²	76	134.5 Å²	134.5	46%	0.461	77%	0.771	S	S	.	*			trans	-30.3	121.3	-175.7	-171.6	0	0	0	0	116	Y274	Y274-V1191 HydrophobicContact CD1-CG2 4Å; Y274-V1191 HydrophobicContact CE1-CG2 3.63Å
1192	E	28.8	Very low	30.7	Very low	194 Å²	194	132 Å²	132	91%	0.907	77%	0.774	S	S	*	*			trans	-112.1	145.2	149.9	-76.5	-166.4	137.7	0	0	109.1
1193	N	32	Very low	31.1	Very low	138 Å²	138	128.7 Å²	128.7	74%	0.738	78%	0.779	S	S	*	*			trans	-108.9	138.1	177.1	-145.8	3.5	0	0	0	108.7
1194	P	37.8	Very low	31.5	Very low	103 Å²	103	128.3 Å²	128.3	67%	0.669	79%	0.791	S	S	*	*			trans	-103.9	-175.2	-147.9	40.2	-38.5	0	0	0	116.9
1195	E	32.9	Very low	32.3	Very low	151 Å²	151	127 Å²	127	71%	0.706	79%	0.786	S	S	*	*			trans	81.4	112.8	163.3	-57.5	-167.2	162.6	0	0	119.5
1196	Y	33.1	Very low	32.6	Very low	219 Å²	219	127.3 Å²	127.3	86%	0.859	79%	0.789	S	S	*	*				-160.6	100.6	101	-102	-67.8	0	0	0	113.2
1197	L	30.9	Very low	33	Very low	134 Å²	134	128.7 Å²	128.7	70%	0.702	79%	0.791	S	S	*	*			trans	6.8	112.6	155.3	-60.3	170	0	0	0	121.1
1198	T	34.4	Very low	33.2	Very low	122 Å²	122	127.3 Å²	127.3	75%	0.748	79%	0.787	S	S	*	*				32.8	162.5	114	60.1	0	0	0	0	122.7
1199	P	37.8	Very low	33.3	Very low	108 Å²	108	129 Å²	129	70%	0.701	78%	0.784	S	S	*	*			cis	-138.6	168.2	-4.5	25.9	-1.1	0	0	0	117.9
1200	Q	32.3	Very low	33.9	Very low	199 Å²	199	130.6 Å²	130.6	93%	0.93	78%	0.779	S	S	*	*			trans	41.9	128.4	142.6	-62.7	179.8	6.3	0	0	123.2
1201	G	33.5	Very low	34.2	Very low	84 Å²	84	131.8 Å²	131.8	87%	0.866	78%	0.779	S	S	*	*			trans	172.3	109	155.9	0	0	0	0	0	112.2
1202	G	29.3	Very low	34.1	Very low	84 Å²	84	132.3 Å²	132.3	87%	0.866	79%	0.791	S	S	*	*			trans	-122.5	139.6	-168.1	0	0	0	0	0	115.9
1203	A	34.1	Very low	34	Very low	107 Å²	107	132.3 Å²	132.3	88%	0.884	79%	0.788	S	S	*	*			trans	-152.3	157.9	161.2	0	0	0	0	0	109.1
1204	A	34	Very low	33.9	Very low	99 Å²	99	130.8 Å²	130.8	82%	0.818	79%	0.788	S	S	*	*			trans	-132.5	-161.9	-171.2	0	0	0	0	0	111.8
1205	P	44.5	Very low	33.7	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	79%	0.794	S	S	*	*				-126.1	178.3	-96.9	40.3	-25.2	0	0	0	113.5
1206	Q	32.8	Very low	33.4	Very low	180 Å²	180	128.2 Å²	128.2	84%	0.841	79%	0.791	S	S	*	*			trans	-155.2	152.6	147.1	-80.9	-142.7	-7.1	0	0	113.6
1207	P	35.1	Very low	33.2	Very low	109 Å²	109	127 Å²	127	71%	0.708	79%	0.791	S	S	*	*			trans	-125.7	158.6	-177.8	41.7	-28.9	0	0	0	116.1
1208	H	31.8	Very low	33.1	Very low	184 Å²	184	126.2 Å²	126.2	85%	0.852	79%	0.787	S	S	*	*			trans	-145.9	163	166.6	-81.3	-54.5	0	0	0	114
1209	P	34.9	Very low	32.8	Very low	114 Å²	114	126.4 Å²	126.4	74%	0.74	78%	0.784	S	S	*	*			trans	-117	174.9	-159.2	38.7	-24.2	0	0	0	116.8
1210	P	43.7	Very low	32.3	Very low	117 Å²	117	127.1 Å²	127.1	76%	0.76	78%	0.781	S	S	*	*			trans	-113.4	161.9	-160.4	41.2	-35.1	0	0	0	117.9
1211	P	33.6	Very low	32.2	Very low	124 Å²	124	127.2 Å²	127.2	81%	0.805	77%	0.774	S	S	*	*			trans	-139.8	142.1	160.6	38.8	-22.3	0	0	0	118.4
1212	A	28.7	Very low	31.7	Very low	87 Å²	87	132.7 Å²	132.7	72%	0.719	77%	0.77	S	S	*	*			trans	38.6	125.4	135.3	0	0	0	0	0	126.2
1213	F	26	Very low	31.9	Very low	194 Å²	194	139.2 Å²	139.2	85%	0.851	77%	0.769	S	S	*	*			trans	58.2	111.6	131.8	-77.7	-85.4	0	0	0	124.9
1214	S	29.8	Very low	31.6	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	76%	0.755	S	S	*	*				59.2	171.2	128.9	-60	0	0	0	0	121.9
1215	P	34.8	Very low	31.4	Very low	123 Å²	123	143 Å²	143	80%	0.799	76%	0.755	S	S	*	*			cis	-127.8	-150	-17.8	38.3	-18	0	0	0	113.2
1216	A	27.1	Very low	30.6	Very low	78 Å²	78	144.4 Å²	144.4	65%	0.645	76%	0.756	S	S	*	*			trans	91.8	115.4	166.7	0	0	0	0	0	117.5
1217	F	27.5	Very low	30.9	Very low	194 Å²	194	141.2 Å²	141.2	85%	0.851	75%	0.751	S	S	*	*				80.6	141.9	81	-71.4	-56.9	0	0	0	113.4
1218	D	28.7	Very low	30.9	Very low	116 Å²	116	141.9 Å²	141.9	62%	0.62	76%	0.755	S	S	*	*			cis	-165	155.8	3.6	-137.4	-4.9	0	0	0	114.4
1219	N	28.1	Very low	30.8	Very low	127 Å²	127	139.9 Å²	139.9	68%	0.679	75%	0.746	S	S	*	*			trans	58.4	167.4	145.9	-76.2	-40.6	0	0	0	122
1220	L	27.5	Very low	30.6	Very low	123 Å²	123	145 Å²	145	64%	0.644	75%	0.751	S	S	*	*			cis	-150.4	173.6	2.3	-153.5	71.1	0	0	0	112
1221	Y	30	Very low	30	Very low	201 Å²	201	143.6 Å²	143.6	79%	0.788	76%	0.757	S	S	*	*			trans	97.6	96.6	161.4	-71	-68.6	0	0	0	120.6
1222	Y	24.4	Very low	30	Very low	199 Å²	199	142.5 Å²	142.5	78%	0.78	76%	0.758	S	S	*	*			trans	-102.9	173.8	148.5	-132.8	-104.1	0	0	0	108.6
1223	W	32	Very low	30.5	Very low	220 Å²	220	144 Å²	144	83%	0.833	76%	0.761	S	S	*	*			trans	175.9	145.8	137	-92.2	118.7	0	0	0	112.4
1224	D	29	Very low	31	Very low	110 Å²	110	140.2 Å²	140.2	59%	0.588	76%	0.755	S	S	*	*			trans	-93.4	169	-172.9	-44.1	-95.6	0	0	0	114.8
1225	Q	28.7	Very low	30.8	Very low	177 Å²	177	140.1 Å²	140.1	83%	0.827	76%	0.755	S	S	*	*				172.1	166.6	114.9	-90.6	175.7	18.3	0	0	114.9
1226	D	27.9	Very low	30.3	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	76%	0.755	S	S	*	*			trans	-77.4	163.4	-155.9	-58.7	-87	0	0	0	119.5
1227	P	39.5	Very low	30.3	Very low	114 Å²	114	145.9 Å²	145.9	74%	0.74	76%	0.764	S	S	*	*			trans	-92.2	162.5	171.4	40.3	-37.7	0	0	0	112.9
1228	P	35.1	Very low	30.2	Very low	122 Å²	122	145 Å²	145	79%	0.792	76%	0.76	S	S	*	*				-158.6	-165.7	80.2	42.3	-19.8	0	0	0	117.6
1229	E	30.2	Very low	30.1	Very low	142 Å²	142	143 Å²	143	66%	0.664	77%	0.768	S	S	*	*			trans	90.9	111.5	161.8	-66.6	-117.2	110.4	0	0	122
1230	R	30	Very low	30	Very low	223 Å²	223	143.6 Å²	143.6	84%	0.842	78%	0.776	S	S	*	*			trans	49.3	110	133.2	-63.5	176.2	171.8	160.9	-4.2	121.7
1231	G	31.2	Very low	30	Very low	86 Å²	86	143.1 Å²	143.1	89%	0.887	78%	0.78	S	S	*	*			trans	-171	147.8	157.3	0	0	0	0	0	112.6
1232	A	33.2	Very low	30	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	78%	0.775	S	S	*	*			trans	-109.2	157.5	-177.1	0	0	0	0	0	112.8
1233	P	39.4	Very low	30.4	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	77%	0.766	S	S	*	*			trans	-103.5	179.5	-157.4	45	-40.2	0	0	0	113.4
1234	P	36.1	Very low	30.3	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	77%	0.771	S	S	*	*				-146.6	169.6	81.6	39.1	-21.5	0	0	0	117.1
1235	S	26.2	Very low	30.4	Very low	103 Å²	103	130 Å²	130	72%	0.72	76%	0.761	S	S	*	*	S	Bend	trans	78.4	127.1	160.1	70.2	0	0	0	0	121.2
1236	T	25.2	Very low	30.3	Very low	132 Å²	132	127.4 Å²	127.4	81%	0.81	76%	0.76	S	S	*	*			trans	49.1	88.8	156.9	49.7	0	0	0	0	119.6
1237	F	26.4	Very low	30.5	Very low	191 Å²	191	123.4 Å²	123.4	84%	0.838	74%	0.736	S	S	*	*			trans	-154.2	178.2	137.4	-141.1	-111.5	0	0	0	114.1
1238	K	26.1	Very low	30.2	Very low	174 Å²	174	123.6 Å²	123.6	76%	0.757	72%	0.723	S	S	*	*			trans	-76.6	155.3	-173.2	-54.3	167.6	-177.9	174.1	0	113.3
1239	G	26.2	Very low	30	Very low	76 Å²	76	125.5 Å²	125.5	78%	0.784	73%	0.726	S	S	*	*			trans	107.1	109.8	138.1	0	0	0	0	0	116.7
1240	T	25.5	Very low	30	Very low	138 Å²	138	121.9 Å²	121.9	85%	0.847	73%	0.727	S	S	*	*			trans	-124.1	148.6	152.1	42	0	0	0	0	108.6
1241	P	28.1	Very low	30	Very low	113 Å²	113	119.6 Å²	119.6	73%	0.734	73%	0.73	S	S	*	*			trans	-119.7	-156.1	-151.3	39.3	-23	0	0	0	112.7
1242	T	28.9	Very low	30.1	Very low	113 Å²	113	123.3 Å²	123.3	69%	0.693	73%	0.73	S	S	*	*			trans	81.8	133.6	175.9	73.9	0	0	0	0	115.4
1243	A	34.6	Very low	30.1	Very low	71 Å²	71	124.4 Å²	124.4	59%	0.587	73%	0.726	S	S	*	*			cis	-144.4	104.7	-18	0	0	0	0	0	112.1
1244	E	28.6	Very low	29.7	Very low	199 Å²	199	124.2 Å²	124.2	93%	0.93	72%	0.724	S	S	*	*			trans	-63.6	141	155.1	-61.3	179.7	126.6	0	0	109.2
1245	N	30.7	Very low	29.5	Very low	71 Å²	71	128.9 Å²	128.9	38%	0.38	75%	0.751	S	S	.	*			trans	-138.7	115.2	165.9	-159.4	72	0	0	0	107.6	K921 E1247	K921-N1245 PolarHBondContact NZ-OD1 2.82Å; N1245-E1247 VanDerWaalsContact C-N 3.34Å; N1245-E1247 PolarHBondContact ND2-OE1 2.89Å; N1245-E1247 PolarHBondContact O-N 3.25Å
1246	P	27.5	Very low	29.7	Very low	124 Å²	124	130.2 Å²	130.2	81%	0.805	75%	0.752	S	S	*	*			trans	-82	69.9	-163.8	32.8	-37.1	0	0	0	113.3
1247	E	32	Very low	29.9	Very low	65 Å²	65	130.1 Å²	130.1	30%	0.304	75%	0.749	S	S	.	*			trans	-114.7	31.7	177.6	-72.6	-173.6	-120.6	0	0	113.8	K887 A928 N1245	K887-E1247 WeakPolarHBondContact CE-OE2 3.03Å; K887-E1247 IonicContact NZ-OE1 2.87Å; K887-E1247 PolarHBondContact NZ-OE1 3.41Å; K887-E1247 IonicContact NZ-OE2 3.46Å; K887-E1247 PolarHBondContact NZ-OE2 3Å; A928-E1247 PolarHBondContact N-OE2 2.94Å; N1245-E1247 VanDerWaalsContact C-N 3.34Å; N1245-E1247 PolarHBondContact ND2-OE1 2.89Å; N1245-E1247 PolarHBondContact O-N 3.25Å
1248	Y	32.9	Very low	30.1	Very low	119 Å²	119	126.7 Å²	126.7	47%	0.467	74%	0.744	S	S	.	*			trans	-104.4	71.6	170.8	-80.2	-75.5	0	0	0	111.6	K883 V884	K883-Y1248 HydrophobicContact CB-CD1 3.74Å; K883-Y1248 HydrophobicContact CB-CE1 3.83Å; K883-Y1248 HydrophobicContact CD-CD1 4.17Å; K883-Y1248 HydrophobicContact CD-CG 4.41Å; K883-Y1248 HydrophobicContact CG-CD1 4.03Å; V884-Y1248 WeakPolarHBondContact O-CE1 3.49Å
1249	L	31.7	Very low	30.4	Very low	161 Å²	161	123.9 Å²	123.9	84%	0.843	74%	0.744	S	S	*	*			trans	-78.5	122.6	171.8	-72.6	170.3	0	0	0	110.8
1250	G	29.6	Very low	30.6	Very low	67 Å²	67	126.9 Å²	126.9	69%	0.691	74%	0.741	S	S	*	*			trans	-81.5	153.4	163.6	0	0	0	0	0	110.9
1251	L	29.9	Very low	31	Very low	174 Å²	174	126.2 Å²	126.2	91%	0.911	73%	0.734	S	S	*	*			trans	-128.1	122.8	165.3	-70.4	174.2	0	0	0	107
1252	D	33.6	Very low	31.2	Very low	164 Å²	164	127.1 Å²	127.1	88%	0.877	73%	0.734	S	S	*	*			trans	-78.7	163.3	-167.1	-84.6	-56.8	0	0	0	114.9
1253	V	33.5	Very low	31.3	Very low	125 Å²	125	128.2 Å²	128.2	76%	0.758	74%	0.737	S	S	*	*			trans	-71.9	137.8	-174.3	-178.3	0	0	0	0	111.7	V1255	V1253-V1255 PolarHBondContact O-N 3.46Å
1254	P	29.8	Very low	31.1	Very low	115 Å²	115	133 Å²	133	75%	0.747	75%	0.75	S	S	*	*			trans	-82.9	109.5	169	32.4	-31.9	0	0	0	112
1255	V	32.9	Very low	31.3	Very low	212 Å²	212	127 Å²	127	100%	1.285	73%	0.733	S	S	*	*			trans	46.1	0	162.8	-169	0	0	0	0	116.4	V1253	V1253-V1255 PolarHBondContact O-N 3.46Å

Retrieved 1,255 of 1,255 residues in 205.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).