A0A077ZEY4_TRITR Loading...

phospholipase D

AlphaFold DB , UniProt , Accession A0A077ZEY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,038 aa.

						>A0A077ZEY4_TRITR|A0A077ZEY4
VTEGRHNFRSLYEDVSDKQYRDYFIPNAQLSCKVLKADDDVTGRKAFKFCILLTYLLTSLFSRYTIELEHGGHCWTVRRRFRDFFSLHNHILLHKAKRNFIPRRKYVLYIMDQPDRSSKIDIKQCAILTHGTLMNKTPTDVSPLDGVVTLKHGSVGSLPSSSSTSSSDDNDLPPFPVWPNIFHDRSEPLFTMLIVQEKLNSYLNAVLQNIIYRNLKETRDFIEVSRYSFVTGLGQKRKEGLLKKRPGGRQAYGGIIRCCTEMFASWTYRFFFLKDTYLAYAHPESEDVRAVMLFDPGFHVKLEEEYKKPPYHTLCPFKISTLAIKCKTKEDALAWERAISTAVSHTGKEFLQSNAYGSTYPVRMNSYGMWFVDGKDFMENLANMIELAEEEIFITDWWLSPEIYLKRPAIEGRRWRLDELLKRKAEQGVHVYVLLYKEVQIALGIKSLYSKRRLRELHPNIHVLRHPDHLPGSGVFLWAHHEKIVVIDQNIAFVGGIDLCYGRWDDSEHRLTDFGSVTFVTKKTATIVQKNEKSVMSAFRSVSRMLPVVSMRAASEEQADLDVIDGAQALSSGGHTVFFKSLLRHCSDFKCVCLRLVTLQQEDDVDSGLLGGGKYWIGKDYVNFIFKDFTAIDLPYNGTLCRSYARKANALARYSHCCQRCFALFDSKNIRENSRTSNVSRHIAQMSRSGWPICSFFIFPSSGAYLKLLRSACPWSVGNNMMEASIHRAYVGLIENAKHYIYIENQFFVTMLDRTDVQNSIAKALYDRIVQAHKKKEAFRVYVLLPLLPGFEGQVGTTGGSALQAVLYWTYQSISKGPHSLLENLSREIEDPSQYIIFCSLRTHGVLLDKMVTELIYIHSKLMIVDDRWTIVGSANINDRSMLGKRDSEVAVIVEDAEFEASKMNGQDYFAGKFARSLRHRLFYEHLGLRKKNSPSIDISDPSSERFFSLWKGIARKNTDIYEKVFCCIPTDEAKTFEQVKQYKGRLKLSDYDEASAKALLDDLTGNLVLFPLSFLCNSDLSPSYMTKEGLAPTSLFT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	V	28.8	Very low	28.1	Very low	198 Å²	198	134.3 Å²	134.3	100%	1.2	70%	0.701	S	S	*	*				0	-14.9	0	178.3	0	0	0	0	112.6
2	T	24.9	Very low	28.2	Very low	141 Å²	141	127.6 Å²	127.6	87%	0.865	66%	0.66	S	S	*	*			trans	-126.6	43.5	178.9	43.5	0	0	0	0	113.6
3	E	25.2	Very low	28.5	Very low	198 Å²	198	126.9 Å²	126.9	93%	0.925	65%	0.652	S	S	*	*			trans	-146.2	134.3	174	-100.3	167	-155.7	0	0	108.7
4	G	28.2	Very low	29.1	Very low	66 Å²	66	126.4 Å²	126.4	68%	0.68	65%	0.651	S	S	*	*			trans	150.7	-12.9	-178.2	0	0	0	0	0	116.7	H6	G4-H6 PolarHBondContact O-N 3.08Å
5	R	27.4	Very low	29.6	Very low	254 Å²	254	119.7 Å²	119.7	96%	0.958	62%	0.618	S	S	*	*			trans	-78.6	61	170.2	-77.1	-173.8	175.2	171.9	0.5	111.7	N7	R5-N7 PolarHBondContact O-N 3.47Å; R5-N7 VanDerWaalsContact O-N 3.09Å
6	H	28.7	Very low	29.8	Very low	170 Å²	170	116.1 Å²	116.1	79%	0.787	61%	0.607	S	S	*	*			trans	-70.9	107	164.8	-76.8	-64.4	0	0	0	109.3	G4 F8	G4-H6 PolarHBondContact O-N 3.08Å; H6-F8 PolarHBondContact O-N 3.19Å
7	N	28.6	Very low	30.2	Very low	116 Å²	116	114.9 Å²	114.9	62%	0.62	60%	0.602	S	S	*	*			trans	-64.1	119.9	178.9	-159.7	-2.1	0	0	0	108.7	R5 R9	R5-N7 PolarHBondContact O-N 3.47Å; R5-N7 VanDerWaalsContact O-N 3.09Å; N7-R9 PolarHBondContact O-N 2.97Å
8	F	28.7	Very low	30.6	Very low	88 Å²	88	120.2 Å²	120.2	39%	0.386	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.1	10.8	178.7	-78.3	-75.1	0	0	0	114.6	H6 L11 H682	H6-F8 PolarHBondContact O-N 3.19Å; F8-L11 HydrophobicContact CD1-CD1 3.78Å; F8-L11 HydrophobicContact CE1-CD1 4.37Å; F8-H682 PolarHBondContact O-CE1 3.44Å
9	R	29.3	Very low	31	Very low	113 Å²	113	121.1 Å²	121.1	43%	0.426	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.7	-38.8	-176.8	-162.4	173.7	-171.4	157.2	4	112.4	N7 L11 E13	N7-R9 PolarHBondContact O-N 2.97Å; R9-L11 PolarHBondContact O-N 3.34Å; R9-E13 WeakPolarHBondContact CG-OE1 3.43Å; R9-E13 IonicContact NE-OE1 3.02Å
10	S	28.6	Very low	31.8	Very low	96 Å²	96	118 Å²	118	67%	0.671	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	21.9	178.8	74.9	0	0	0	0	114
11	L	30.1	Very low	32.8	Very low	37 Å²	37	118.9 Å²	118.9	19%	0.194	60%	0.597	C	S	.	*	T	Hydrogen-bonded Turn	trans	-106.8	-7.1	178.3	-97.3	151.5	0	0	0	112	F8 R9 H462	F8-L11 HydrophobicContact CD1-CD1 3.78Å; F8-L11 HydrophobicContact CE1-CD1 4.37Å; R9-L11 PolarHBondContact O-N 3.34Å; L11-H462 HydrophobicContact CD2-CB 3.96Å
12	Y	29.3	Very low	34.4	Very low	54 Å²	54	115 Å²	115	21%	0.212	57%	0.569	C	S	.	*	S	Bend	trans	-137	0.4	-169	-81.5	-83.8	0	0	0	115.4	D14 V15 Y432 H682	Y12-D14 PolarHBondContact O-N 3.16Å; Y12-V15 HydrophobicContact CD1-CG2 4.12Å; Y12-Y432 HydrophobicContact CE1-CE1 4.43Å; Y12-Y432 WeakPolarHBondContact CE1-OH 3.34Å; Y12-Y432 AromaticContact CZ-CE1 3.89Å; Y12-Y432 WeakPolarHBondContact OH-CE1 3.47Å; Y12-Y432 PolarHBondContact OH-OH 3.34Å; Y12-H682 HydrophobicContact CD1-CB 4.1Å; Y12-H682 HydrophobicContact CD2-CB 3.97Å; Y12-H682 AromaticContact CD2-CD2 3.49Å; Y12-H682 VanDerWaalsContact CD2-CD2 3.49Å; Y12-H682 WeakPolarHBondContact CD2-CD2 3.42Å; Y12-H682 AromaticContact CD2-CE1 3.39Å; Y12-H682 WeakPolarHBondContact CD2-CE1 3.47Å; Y12-H682 AromaticContact CD2-CG 3.4Å; Y12-H682 AromaticContact CD2-ND1 3.35Å; Y12-H682 WeakPolarHBondContact CD2-ND1 3.34Å; Y12-H682 AromaticContact CD2-NE2 3.53Å; Y12-H682 HydrophobicContact CE1-CB 3.5Å; Y12-H682 HydrophobicContact CE2-CB 3.38Å; Y12-H682 AromaticContact CE2-CD2 3.8Å; Y12-H682 AromaticContact CE2-CE1 3.56Å; Y12-H682 AromaticContact CE2-CG 3.17Å; Y12-H682 AromaticContact CE2-ND1 3.02Å; Y12-H682 WeakPolarHBondContact CE2-ND1 3.19Å; Y12-H682 HydrophobicContact CG-CB 4.33Å; Y12-H682 AromaticContact CG-CD2 3.81Å; Y12-H682 AromaticContact CG-CG 3.99Å; Y12-H682 AromaticContact CZ-CG 3.53Å; Y12-H682 AromaticContact CZ-ND1 3.79Å; Y12-H682 VanDerWaalsContact OH-CB 3.29Å; Y12-H682 WeakPolarHBondContact OH-CB 3.45Å
13	E	32.9	Very low	37.1	Very low	119 Å²	119	109.9 Å²	109.9	56%	0.556	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.3	-173.1	-72.7	171.1	161	0	0	113.7	R9	R9-E13 WeakPolarHBondContact CG-OE1 3.43Å; R9-E13 IonicContact NE-OE1 3.02Å
14	D	36.4	Very low	39.9	Very low	119 Å²	119	101.1 Å²	101.1	64%	0.636	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-3.1	177.9	-71.1	-40.6	0	0	0	115.4	Y12 S16	Y12-D14 PolarHBondContact O-N 3.16Å; D14-S16 VanDerWaalsContact C-N 3.32Å; D14-S16 PolarHBondContact O-N 3.08Å
15	V	37.2	Very low	42.4	Very low	26 Å²	26	100.8 Å²	100.8	16%	0.158	48%	0.475	C	S	.	.	S	Bend	trans	-79.4	-8.1	-170.5	-171.9	0	0	0	0	113.8	Y12 H430	Y12-V15 HydrophobicContact CD1-CG2 4.12Å; V15-H430 VanDerWaalsContact CG2-CE1 3.48Å; V15-H430 WeakPolarHBondContact CG2-CE1 3.4Å
16	S	32.2	Very low	44.6	Very low	63 Å²	63	93 Å²	93	44%	0.441	46%	0.457	S	S	.	.			trans	-94.9	-2.2	-154	50.3	0	0	0	0	117.7	D14	D14-S16 VanDerWaalsContact C-N 3.32Å; D14-S16 PolarHBondContact O-N 3.08Å
17	D	37.6	Very low	46.8	Very low	96 Å²	96	93.1 Å²	93.1	51%	0.513	46%	0.464	S	S	.	.	S	Bend	trans	-102.1	-4.1	-142.1	-145.3	21.4	0	0	0	119.7	R21	D17-R21 IonicContact OD1-CZ 3.85Å; D17-R21 IonicContact OD1-NE 3.99Å; D17-R21 IonicContact OD1-NH2 3.61Å; D17-R21 PolarHBondContact OD1-NH2 3.23Å; D17-R21 IonicContact OD2-NH2 3.56Å
18	K	36.3	Very low	49.4	Very low	209 Å²	209	88.9 Å²	88.9	91%	0.909	45%	0.445	S	S	*	.	S	Bend	trans	-129	-22.9	-176.5	-72	-176.3	-178.4	168.8	0	119.3
19	Q	38.6	Very low	51.9	Low	138 Å²	138	93.1 Å²	93.1	65%	0.645	47%	0.466	S	S	*	.	S	Bend	trans	-128	-4.1	-176	-150.6	171.1	2.1	0	0	115
20	Y	47.9	Very low	54.6	Low	59 Å²	59	88.5 Å²	88.5	23%	0.231	45%	0.45	C	S	.	.			trans	-115.6	17.8	-171.1	-69.9	-76.4	0	0	0	114.6	Q685 M686	Y20-Q685 PolarHBondContact OH-OE1 2.77Å; Y20-M686 HydrophobicContact CE1-CE 4.31Å; Y20-M686 WeakPolarHBondContact OH-CG 3.47Å
21	R	50.9	Low	57.4	Low	136 Å²	136	86.3 Å²	86.3	51%	0.513	43%	0.434	S	S	.	.			trans	-76	-21.5	-176.2	-72.5	-172.5	175.6	-166.8	-0.9	113.8	D17	D17-R21 IonicContact OD1-CZ 3.85Å; D17-R21 IonicContact OD1-NE 3.99Å; D17-R21 IonicContact OD1-NH2 3.61Å; D17-R21 PolarHBondContact OD1-NH2 3.23Å; D17-R21 IonicContact OD2-NH2 3.56Å
22	D	64.2	Low	60.4	Low	116 Å²	116	85 Å²	85	62%	0.62	43%	0.428	S	S	*	.			trans	-96	135.5	-174.3	-68.6	-36.6	0	0	0	114.2
23	Y	80	Confident	63.3	Low	34 Å²	34	88.3 Å²	88.3	13%	0.133	44%	0.444	C	S	.	.	S	Bend	trans	-86.8	-10.7	179.5	-71.7	-86.2	0	0	0	114.6	R219 R226 F229 E286	Y23-R219 PolarHBondContact OH-NH2 2.83Å; Y23-R226 HydrophobicContact CD1-CG 3.83Å; Y23-R226 HydrophobicContact CE1-CB 4.47Å; Y23-R226 HydrophobicContact CE1-CG 3.39Å; Y23-R226 PolarHBondContact OH-NE 2.83Å; Y23-R226 PolarHBondContact OH-NH2 3.28Å; Y23-F229 VanDerWaalsContact O-CD2 3.32Å; Y23-F229 WeakPolarHBondContact O-CD2 3.39Å; Y23-E286 VanDerWaalsContact CE1-OE1 3.29Å; Y23-E286 WeakPolarHBondContact CE1-OE1 3.24Å; Y23-E286 WeakPolarHBondContact CE1-OE2 3.47Å; Y23-E286 PolarHBondContact OH-OE1 2.9Å; Y23-E286 VanDerWaalsContact OH-OE1 3.13Å
24	F	85.4	Confident	65.9	Low	14 Å²	14	82.8 Å²	82.8	6%	0.061	42%	0.418	C	S	.	.	S	Bend	trans	-137.3	152.8	-170.1	-64.8	-82.3	0	0	0	108.7	P26 L30 H70 R213 N214 I222 V224 F229	F24-P26 WeakPolarHBondContact O-CD 3.45Å; F24-L30 HydrophobicContact CD1-CD2 4.35Å; F24-L30 HydrophobicContact CE1-CD2 3.79Å; F24-L30 HydrophobicContact CZ-CD2 4.38Å; F24-H70 AromaticContact CD1-NE2 3.77Å; F24-R213 HydrophobicContact CD2-CG 4.31Å; F24-R213 HydrophobicContact CE1-CG 4.33Å; F24-R213 HydrophobicContact CE2-CG 3.58Å; F24-R213 HydrophobicContact CZ-CG 3.59Å; F24-N214 WeakPolarHBondContact CE2-OD1 3.43Å; F24-I222 HydrophobicContact CE1-CD1 4.13Å; F24-I222 HydrophobicContact CZ-CD1 4.04Å; F24-V224 HydrophobicContact CE1-CG1 4.26Å; F24-V224 HydrophobicContact CZ-CG1 4.25Å; F24-F229 HydrophobicContact CD1-CD2 4.44Å; F24-F229 AromaticContact CD1-CE2 3.85Å; F24-F229 HydrophobicContact CD1-CE2 3.85Å; F24-F229 HydrophobicContact CE1-CE2 4.11Å
25	I	79.6	Confident	68.2	Low	60 Å²	60	79.4 Å²	79.4	31%	0.308	40%	0.4	S	S	.	.			trans	-66.8	123.8	177.5	-56.8	172.6	0	0	0	108.1	N27 A28 H70 F229	I25-N27 PolarHBondContact O-N 3.14Å; I25-A28 HydrophobicContact CB-CB 3.82Å; I25-A28 HydrophobicContact CG2-CB 4Å; I25-A28 PolarHBondContact O-N 3.42Å; I25-H70 PolarHBondContact N-NE2 2.95Å; I25-F229 HydrophobicContact CD1-CB 4.11Å; I25-F229 HydrophobicContact CG1-CB 3.78Å
26	P	73.4	Confident	69.6	Low	90 Å²	90	85 Å²	85	58%	0.584	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	137	177	-27.4	35.9	0	0	0	111.8	F24 A28	F24-P26 WeakPolarHBondContact O-CD 3.45Å; P26-A28 PolarHBondContact O-N 3.47Å
27	N	76.1	Confident	71.1	Confident	173 Å²	173	82.6 Å²	82.6	93%	0.925	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-1.2	-178.6	-51.6	-37.9	0	0	0	116.9	I25	I25-N27 PolarHBondContact O-N 3.14Å
28	A	81.8	Confident	72.1	Confident	27 Å²	27	81.8 Å²	81.8	22%	0.223	40%	0.401	C	S	.	.			trans	-80.2	133.6	172.7	0	0	0	0	0	111.1	I25 P26 H70	I25-A28 HydrophobicContact CB-CB 3.82Å; I25-A28 HydrophobicContact CG2-CB 4Å; I25-A28 PolarHBondContact O-N 3.42Å; P26-A28 PolarHBondContact O-N 3.47Å; A28-H70 PolarHBondContact O-CE1 2.92Å
29	Q	81.7	Confident	72.9	Confident	177 Å²	177	75.7 Å²	75.7	83%	0.827	38%	0.379	S	S	*	.			trans	-68.1	152.6	173.6	-67.2	-172	-8.2	0	0	111.1	H70	Q29-H70 WeakPolarHBondContact O-CA 3.13Å; Q29-H70 PolarHBondContact O-ND1 3.26Å
30	L	87.1	Confident	73.4	Confident	16 Å²	16	71.4 Å²	71.4	8%	0.084	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.6	172	171.1	64.8	0	0	0	107.1	F24 L68 E69 H70 W75 L207 R213	F24-L30 HydrophobicContact CD1-CD2 4.35Å; F24-L30 HydrophobicContact CE1-CD2 3.79Å; F24-L30 HydrophobicContact CZ-CD2 4.38Å; L30-L68 HydrophobicContact CD1-CD2 4.4Å; L30-E69 WeakPolarHBondContact CA-O 3.41Å; L30-H70 HydrophobicContact CD1-CB 3.91Å; L30-W75 HydrophobicContact CD1-CH2 3.95Å; L30-L207 HydrophobicContact CD2-CB 4.01Å; L30-L207 HydrophobicContact CD2-CD1 4.18Å; L30-L207 HydrophobicContact CD2-CD2 4.02Å; L30-L207 HydrophobicContact CD2-CG 4.28Å; L30-L207 HydrophobicContact CG-CB 4.4Å; L30-L207 HydrophobicContact CG-CD1 4.29Å; L30-R213 HydrophobicContact CD2-CG 4.15Å
31	S	87.3	Confident	73.3	Confident	50 Å²	50	73.1 Å²	73.1	35%	0.35	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	156.2	176.8	69.7	0	0	0	0	110.1	L68 E69	S31-L68 WeakPolarHBondContact O-CA 3.14Å; S31-E69 PolarHBondContact N-O 2.77Å; S31-E69 PolarHBondContact O-N 3.45Å; S31-E69 VanDerWaalsContact O-N 3.14Å
32	C	91.6	Very high	73	Confident	10 Å²	10	72.4 Å²	72.4	7%	0.068	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.5	169.6	73.4	0	0	0	0	112.7	I66 E67 L68 L203 N204 L207	C32-I66 HydrophobicContact CB-CG2 4.18Å; C32-E67 CarbonylContact C-O 3.58Å; C32-E67 VanDerWaalsContact CA-O 3.23Å; C32-E67 WeakPolarHBondContact CA-O 3.47Å; C32-L68 HydrophobicContact CB-CD2 4.12Å; C32-L68 HydrophobicContact CB-CG 4.01Å; C32-L203 HydrophobicContact CB-CD2 4.41Å; C32-N204 PolarHBondContact N-OD1 3.13Å; C32-N204 VanDerWaalsContact N-OD1 3.13Å; C32-N204 PolarHBondContact O-ND2 3.33Å; C32-N204 PolarHBondContact O-OD1 2.66Å; C32-N204 PolarHBondContact SG-ND2 3.28Å; C32-N204 VanDerWaalsContact SG-ND2 3.39Å; C32-N204 PolarHBondContact SG-OD1 2.84Å; C32-L207 HydrophobicContact CB-CD1 3.94Å
33	K	91.6	Very high	72	Confident	123 Å²	123	69.6 Å²	69.6	54%	0.535	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	114	178.4	-170.6	-178.8	-179.4	-176.1	0	109.6	L35 E67 N200	K33-L35 HydrophobicContact CD-CD2 3.98Å; K33-L35 HydrophobicContact CG-CD2 4.02Å; K33-L35 PolarHBondContact O-N 3.05Å; K33-E67 HydrophobicContact CB-CB 4.33Å; K33-E67 PolarHBondContact N-O 3.11Å; K33-E67 PolarHBondContact O-N 3.15Å; K33-N200 VanDerWaalsContact CA-OD1 3.31Å; K33-N200 WeakPolarHBondContact CA-OD1 3.49Å
34	V	87.5	Confident	70.4	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.018	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.7	175.3	-174.2	0	0	0	0	108.3	Y64 I66 F84 Q196 N200 L203	V34-Y64 HydrophobicContact CG1-CD1 3.87Å; V34-Y64 HydrophobicContact CG1-CG 4.19Å; V34-I66 HydrophobicContact CG2-CG1 4.48Å; V34-I66 HydrophobicContact CG2-CG2 4.5Å; V34-F84 HydrophobicContact CG1-CZ 4.45Å; V34-F84 HydrophobicContact CG2-CZ 4.48Å; V34-Q196 HydrophobicContact CB-CG 4.47Å; V34-Q196 HydrophobicContact CG1-CG 4.16Å; V34-Q196 WeakPolarHBondContact O-CG 3.38Å; V34-Q196 PolarHBondContact O-NE2 2.98Å; V34-N200 HydrophobicContact CB-CB 4.1Å; V34-N200 HydrophobicContact CG2-CB 4.08Å; V34-N200 PolarHBondContact N-OD1 3.15Å; V34-L203 HydrophobicContact CG2-CD2 4.43Å
35	L	83.3	Confident	68.4	Low	48 Å²	48	84.2 Å²	84.2	25%	0.251	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	166.2	177	-59.6	-173.6	0	0	0	112.3	K33 T65 E67	K33-L35 HydrophobicContact CD-CD2 3.98Å; K33-L35 HydrophobicContact CG-CD2 4.02Å; K33-L35 PolarHBondContact O-N 3.05Å; L35-T65 WeakPolarHBondContact CA-O 3.35Å; L35-T65 WeakPolarHBondContact CB-O 3.19Å; L35-T65 PolarHBondContact N-O 3.01Å; L35-E67 VanDerWaalsContact CD1-CD 3.48Å; L35-E67 HydrophobicContact CD1-CG 3.94Å; L35-E67 WeakPolarHBondContact CD1-OE1 3.44Å; L35-E67 HydrophobicContact CG-CG 4.37Å
36	K	68.1	Low	66.8	Low	144 Å²	144	85 Å²	85	63%	0.626	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.5	143.6	-177.5	-173.3	176	178.8	179.6	0	112.1
37	A	62.1	Low	65.3	Low	11 Å²	11	87.3 Å²	87.3	9%	0.091	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.4	176.6	0	0	0	0	0	112.2	R63 Y64 M192	A37-R63 VanDerWaalsContact CA-O 3.24Å; A37-R63 WeakPolarHBondContact CA-O 3.45Å; A37-Y64 HydrophobicContact CB-CD1 4.29Å; A37-Y64 HydrophobicContact CB-CE1 4.24Å; A37-M192 HydrophobicContact CB-CE 3.82Å
38	D	60.3	Low	63.7	Low	79 Å²	79	89.1 Å²	89.1	42%	0.422	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.2	163.6	-77.9	-28.8	0	0	0	108.3	D40 R63 R78	D38-D40 PolarHBondContact O-N 2.9Å; D38-R63 PolarHBondContact N-O 3.15Å; D38-R78 IonicContact OD2-CZ 2.75Å; D38-R78 IonicContact OD2-NH1 3.68Å; D38-R78 IonicContact OD2-NH2 2.66Å; D38-R78 PolarHBondContact OD2-NH2 3.21Å
39	D	53.1	Low	61.9	Low	81 Å²	81	97.5 Å²	97.5	43%	0.433	50%	0.495	S	S	.	.			trans	-75.5	109.2	179.3	-140.9	1.4	0	0	0	108.7	V41 R44	D39-V41 VanDerWaalsContact C-N 3.3Å; D39-V41 WeakPolarHBondContact O-CG2 3.45Å; D39-V41 PolarHBondContact O-N 3.19Å; D39-R44 IonicContact OD1-CZ 3.25Å; D39-R44 IonicContact OD1-NH2 3.71Å; D39-R44 PolarHBondContact OD1-NH2 2.93Å; D39-R44 IonicContact OD2-CZ 3.05Å; D39-R44 IonicContact OD2-NH1 3.27Å; D39-R44 IonicContact OD2-NH2 2.73Å; D39-R44 PolarHBondContact OD2-NH2 3.02Å
40	D	49.4	Very low	60.3	Low	49 Å²	49	92.6 Å²	92.6	26%	0.262	48%	0.479	S	S	.	.			trans	-77.9	79.4	-176	-161.4	-19.3	0	0	0	111.1	D38 T42 G43 R63	D38-D40 PolarHBondContact O-N 2.9Å; D40-T42 PolarHBondContact O-N 3.34Å; D40-T42 PolarHBondContact OD1-OG1 3.28Å; D40-G43 PolarHBondContact O-N 2.92Å; D40-R63 IonicContact OD2-CZ 2.77Å; D40-R63 IonicContact OD2-NE 3.73Å; D40-R63 PolarHBondContact OD2-NE 3.24Å; D40-R63 IonicContact OD2-NH2 3.71Å; D40-R63 PolarHBondContact OD2-NH2 3.47Å
41	V	44.7	Very low	58.5	Low	95 Å²	95	97.6 Å²	97.6	58%	0.576	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-58.2	-21.2	-175.4	-173	0	0	0	0	112.4	D39 G43 R44	D39-V41 VanDerWaalsContact C-N 3.3Å; D39-V41 WeakPolarHBondContact O-CG2 3.45Å; D39-V41 PolarHBondContact O-N 3.19Å; V41-G43 VanDerWaalsContact C-N 3.28Å; V41-G43 PolarHBondContact O-N 3.46Å; V41-R44 PolarHBondContact O-N 3.39Å
42	T	45.3	Very low	56.7	Low	120 Å²	120	101.8 Å²	101.8	74%	0.736	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-67.4	-23.4	-175.8	69	0	0	0	0	114.2	D40	D40-T42 PolarHBondContact O-N 3.34Å; D40-T42 PolarHBondContact OD1-OG1 3.28Å
43	G	43.3	Very low	54.8	Low	57 Å²	57	105 Å²	105	59%	0.588	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-80.1	-12.2	178.2	0	0	0	0	0	115.6	D40 V41 K45	D40-G43 PolarHBondContact O-N 2.92Å; V41-G43 VanDerWaalsContact C-N 3.28Å; V41-G43 PolarHBondContact O-N 3.46Å; G43-K45 VanDerWaalsContact C-N 3.26Å; G43-K45 PolarHBondContact O-N 2.6Å; G43-K45 VanDerWaalsContact O-N 3.08Å
44	R	45.7	Very low	52.8	Low	136 Å²	136	102.1 Å²	102.1	51%	0.513	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	1.1	-164.3	-68.7	-173.9	175.4	174.5	-0.1	116.3	D39 V41	D39-R44 IonicContact OD1-CZ 3.25Å; D39-R44 IonicContact OD1-NH2 3.71Å; D39-R44 PolarHBondContact OD1-NH2 2.93Å; D39-R44 IonicContact OD2-CZ 3.05Å; D39-R44 IonicContact OD2-NH1 3.27Å; D39-R44 IonicContact OD2-NH2 2.73Å; D39-R44 PolarHBondContact OD2-NH2 3.02Å; V41-R44 PolarHBondContact O-N 3.39Å
45	K	43.8	Very low	51.1	Low	219 Å²	219	107.6 Å²	107.6	95%	0.952	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-1.2	-178.1	-76	-168.5	175.2	-176.6	0	115.9	G43	G43-K45 VanDerWaalsContact C-N 3.26Å; G43-K45 PolarHBondContact O-N 2.6Å; G43-K45 VanDerWaalsContact O-N 3.08Å
46	A	45.1	Very low	49.7	Very low	78 Å²	78	108.6 Å²	108.6	65%	0.645	56%	0.558	S	S	*	*	S	Bend	trans	-111.9	-15.9	-169.3	0	0	0	0	0	117.2
47	F	43.4	Very low	49	Very low	138 Å²	138	103.6 Å²	103.6	61%	0.605	54%	0.537	S	S	*	.			trans	-133.7	105.3	-175.5	-82.5	-92.9	0	0	0	111.7	L53 L57	F47-L53 HydrophobicContact CD1-CD2 4.15Å; F47-L53 HydrophobicContact CE1-CD2 4.29Å; F47-L57 HydrophobicContact CG-CD1 4.48Å
48	K	41.2	Very low	48.5	Very low	210 Å²	210	104.9 Å²	104.9	91%	0.913	54%	0.544	S	S	*	.			trans	-121.2	24.5	-178	-148.8	-177.7	-176.4	-173.8	0	113.2
49	F	44	Very low	48.3	Very low	203 Å²	203	101.6 Å²	101.6	89%	0.89	53%	0.528	S	S	*	.	S	Bend	trans	-130.6	2.9	-164	-126.3	-87.2	0	0	0	117.9
50	C	47.7	Very low	48.5	Very low	74 Å²	74	100.6 Å²	100.6	50%	0.5	52%	0.522	S	S	.	.			trans	-158.7	114.5	167.4	-145.8	0	0	0	0	111.9	L52 L53 T54	C50-L52 VanDerWaalsContact C-N 3.34Å; C50-L52 PolarHBondContact O-N 3.3Å; C50-L53 HydrophobicContact CB-CB 3.78Å; C50-L53 PolarHBondContact O-N 3.05Å; C50-T54 PolarHBondContact O-N 3.29Å; C50-T54 PolarHBondContact O-OG1 3.4Å; C50-T54 VanDerWaalsContact O-OG1 3.07Å
51	I	50.2	Low	49	Very low	121 Å²	121	104.3 Å²	104.3	62%	0.621	54%	0.536	S	S	*	.	H	α-helix	trans	-55.9	-45.3	-178	-74.1	173.1	0	0	0	111.7	L53 T54 Y55	I51-L53 PolarHBondContact O-N 3.09Å; I51-T54 WeakPolarHBondContact O-CB 3.3Å; I51-T54 PolarHBondContact O-N 2.8Å; I51-Y55 HydrophobicContact CG2-CD2 4.08Å; I51-Y55 HydrophobicContact CG2-CE2 3.24Å; I51-Y55 WeakPolarHBondContact CG2-OH 3.48Å; I51-Y55 VanDerWaalsContact O-CD2 3.23Å; I51-Y55 WeakPolarHBondContact O-CD2 2.97Å; I51-Y55 PolarHBondContact O-N 2.72Å; I51-Y55 VanDerWaalsContact O-N 3.17Å
52	L	49.1	Very low	49.9	Very low	139 Å²	139	99.9 Å²	99.9	73%	0.728	51%	0.509	S	S	*	.	H	α-helix	trans	-60.4	-39.6	174.2	-102.1	99.6	0	0	0	113.8	C50 Y55 L56	C50-L52 VanDerWaalsContact C-N 3.34Å; C50-L52 PolarHBondContact O-N 3.3Å; L52-Y55 PolarHBondContact O-N 2.93Å; L52-L56 PolarHBondContact O-N 2.92Å; L52-L56 VanDerWaalsContact O-N 3.15Å
53	L	52	Low	51.3	Low	78 Å²	78	96 Å²	96	41%	0.408	48%	0.481	S	S	.	.	H	α-helix	trans	-69.7	-39.1	179.6	-165.7	72.9	0	0	0	110.3	F47 C50 I51 Y55 L56 L57	F47-L53 HydrophobicContact CD1-CD2 4.15Å; F47-L53 HydrophobicContact CE1-CD2 4.29Å; C50-L53 HydrophobicContact CB-CB 3.78Å; C50-L53 PolarHBondContact O-N 3.05Å; I51-L53 PolarHBondContact O-N 3.09Å; L53-Y55 VanDerWaalsContact C-N 3.31Å; L53-Y55 PolarHBondContact O-N 3.19Å; L53-L56 PolarHBondContact O-N 3.46Å; L53-L57 HydrophobicContact CD2-CD1 4.3Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.5Å; L53-L57 WeakPolarHBondContact O-CG 3.12Å; L53-L57 PolarHBondContact O-N 3.01Å
54	T	48.4	Very low	53.3	Low	61 Å²	61	93.3 Å²	93.3	37%	0.374	45%	0.453	S	S	.	.	H	α-helix	trans	-56.4	-44.5	173.7	-50.3	0	0	0	0	111.4	C50 I51 L57 T58	C50-T54 PolarHBondContact O-N 3.29Å; C50-T54 PolarHBondContact O-OG1 3.4Å; C50-T54 VanDerWaalsContact O-OG1 3.07Å; I51-T54 WeakPolarHBondContact O-CB 3.3Å; I51-T54 PolarHBondContact O-N 2.8Å; T54-L57 PolarHBondContact O-N 2.87Å; T54-T58 PolarHBondContact O-N 2.87Å; T54-T58 PolarHBondContact O-OG1 2.74Å
55	Y	53.5	Low	55.3	Low	118 Å²	118	87.7 Å²	87.7	46%	0.463	43%	0.434	S	S	.	.	H	α-helix	trans	-63.7	-43.3	177.6	-61.3	-41.8	0	0	0	113.2	I51 L52 L53 L57 T58 P188	I51-Y55 HydrophobicContact CG2-CD2 4.08Å; I51-Y55 HydrophobicContact CG2-CE2 3.24Å; I51-Y55 WeakPolarHBondContact CG2-OH 3.48Å; I51-Y55 VanDerWaalsContact O-CD2 3.23Å; I51-Y55 WeakPolarHBondContact O-CD2 2.97Å; I51-Y55 PolarHBondContact O-N 2.72Å; I51-Y55 VanDerWaalsContact O-N 3.17Å; L52-Y55 PolarHBondContact O-N 2.93Å; L53-Y55 VanDerWaalsContact C-N 3.31Å; L53-Y55 PolarHBondContact O-N 3.19Å; Y55-L57 VanDerWaalsContact C-N 3.33Å; Y55-L57 PolarHBondContact O-N 3.38Å; Y55-T58 WeakPolarHBondContact CA-OG1 3.23Å; Y55-T58 PolarHBondContact O-N 2.84Å; Y55-T58 PolarHBondContact O-OG1 3.42Å; Y55-P188 HydrophobicContact CE1-CG 4.4Å
56	L	53.5	Low	57.6	Low	70 Å²	70	77.3 Å²	77.3	37%	0.366	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176.3	-142.1	116.7	0	0	0	111.2	L52 L53 L60 W178	L52-L56 PolarHBondContact O-N 2.92Å; L52-L56 VanDerWaalsContact O-N 3.15Å; L53-L56 PolarHBondContact O-N 3.46Å; L56-L60 HydrophobicContact CD2-CD1 4.09Å; L56-L60 WeakPolarHBondContact O-CG 3.5Å; L56-L60 PolarHBondContact O-N 3.29Å; L56-W178 HydrophobicContact CB-CH2 4.18Å; L56-W178 HydrophobicContact CD1-CE3 3.85Å; L56-W178 HydrophobicContact CD1-CH2 3.72Å; L56-W178 HydrophobicContact CD1-CZ3 3.26Å; L56-W178 HydrophobicContact CG-CE3 4.13Å; L56-W178 HydrophobicContact CG-CH2 3.55Å; L56-W178 HydrophobicContact CG-CZ2 4.13Å; L56-W178 HydrophobicContact CG-CZ3 3.59Å
57	L	54	Low	59.8	Low	38 Å²	38	77.6 Å²	77.6	20%	0.199	38%	0.377	C	S	.	.	H	α-helix	trans	-68.2	-37.8	179.1	-68.3	172.4	0	0	0	112.5	F47 L53 T54 Y55 S59 L60 F61	F47-L57 HydrophobicContact CG-CD1 4.48Å; L53-L57 HydrophobicContact CD2-CD1 4.3Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.5Å; L53-L57 WeakPolarHBondContact O-CG 3.12Å; L53-L57 PolarHBondContact O-N 3.01Å; T54-L57 PolarHBondContact O-N 2.87Å; Y55-L57 VanDerWaalsContact C-N 3.33Å; Y55-L57 PolarHBondContact O-N 3.38Å; L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 2.86Å; L57-L60 PolarHBondContact O-N 3.35Å; L57-L60 VanDerWaalsContact O-N 3.17Å; L57-F61 HydrophobicContact CB-CD2 3.94Å; L57-F61 HydrophobicContact CB-CE2 3.77Å; L57-F61 HydrophobicContact CD2-CE2 3.67Å; L57-F61 HydrophobicContact CD2-CZ 4.09Å; L57-F61 HydrophobicContact CG-CE2 4.16Å; L57-F61 WeakPolarHBondContact O-CB 3.28Å; L57-F61 WeakPolarHBondContact O-CD2 3.47Å; L57-F61 WeakPolarHBondContact O-CG 3.43Å; L57-F61 PolarHBondContact O-N 3.44Å
58	T	51.2	Low	62.2	Low	38 Å²	38	71.2 Å²	71.2	23%	0.233	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-40.5	177.6	30.6	0	0	0	0	113.2	T54 Y55 S62	T54-T58 PolarHBondContact O-N 2.87Å; T54-T58 PolarHBondContact O-OG1 2.74Å; Y55-T58 WeakPolarHBondContact CA-OG1 3.23Å; Y55-T58 PolarHBondContact O-N 2.84Å; Y55-T58 PolarHBondContact O-OG1 3.42Å; T58-S62 PolarHBondContact O-N 3.5Å; T58-S62 VanDerWaalsContact O-N 3.09Å; T58-S62 PolarHBondContact O-OG 2.86Å
59	S	55.3	Low	64.6	Low	11 Å²	11	66.2 Å²	66.2	8%	0.077	33%	0.329	C	S	.	.	H	α-helix	trans	-66.2	-42	174.2	165.1	0	0	0	0	112.3	L57 F61 S62	L57-S59 VanDerWaalsContact C-N 3.34Å; L57-S59 PolarHBondContact O-N 2.86Å; S59-F61 PolarHBondContact O-N 3.03Å; S59-S62 WeakPolarHBondContact O-CB 3.38Å
60	L	57.9	Low	66.7	Low	59 Å²	59	56.6 Å²	56.6	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-72	-28	-177.8	-68.5	169.7	0	0	0	113.4	L56 L57 F81	L56-L60 HydrophobicContact CD2-CD1 4.09Å; L56-L60 WeakPolarHBondContact O-CG 3.5Å; L56-L60 PolarHBondContact O-N 3.29Å; L57-L60 PolarHBondContact O-N 3.35Å; L57-L60 VanDerWaalsContact O-N 3.17Å; L60-F81 HydrophobicContact CD2-CD1 3.93Å; L60-F81 HydrophobicContact CD2-CE1 4.26Å
61	F	58.7	Low	68.4	Low	127 Å²	127	55 Å²	55	56%	0.557	28%	0.283	S	S	*	.	H	α-helix	trans	-93.9	-11.2	177.8	-63.9	-51.5	0	0	0	114.7	L57 S59 R63	L57-F61 HydrophobicContact CB-CD2 3.94Å; L57-F61 HydrophobicContact CB-CE2 3.77Å; L57-F61 HydrophobicContact CD2-CE2 3.67Å; L57-F61 HydrophobicContact CD2-CZ 4.09Å; L57-F61 HydrophobicContact CG-CE2 4.16Å; L57-F61 WeakPolarHBondContact O-CB 3.28Å; L57-F61 WeakPolarHBondContact O-CD2 3.47Å; L57-F61 WeakPolarHBondContact O-CG 3.43Å; L57-F61 PolarHBondContact O-N 3.44Å; S59-F61 PolarHBondContact O-N 3.03Å; F61-R63 PolarHBondContact O-N 3.3Å
62	S	65.2	Low	69.9	Low	2 Å²	2	52.7 Å²	52.7	1%	0.014	29%	0.289	C	S	.	.			trans	-52.4	131.9	176.1	-76.2	0	0	0	0	112.9	T58 S59 R80	T58-S62 PolarHBondContact O-N 3.5Å; T58-S62 VanDerWaalsContact O-N 3.09Å; T58-S62 PolarHBondContact O-OG 2.86Å; S59-S62 WeakPolarHBondContact O-CB 3.38Å; S62-R80 WeakPolarHBondContact O-CA 3.21Å
63	R	74.8	Confident	71.6	Confident	38 Å²	38	47.5 Å²	47.5	14%	0.143	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	110	174.5	-60.6	-174.2	-169.8	-162.7	11.6	110.1	A37 D38 D40 F61 R80 E330	A37-R63 VanDerWaalsContact CA-O 3.24Å; A37-R63 WeakPolarHBondContact CA-O 3.45Å; D38-R63 PolarHBondContact N-O 3.15Å; D40-R63 IonicContact OD2-CZ 2.77Å; D40-R63 IonicContact OD2-NE 3.73Å; D40-R63 PolarHBondContact OD2-NE 3.24Å; D40-R63 IonicContact OD2-NH2 3.71Å; D40-R63 PolarHBondContact OD2-NH2 3.47Å; F61-R63 PolarHBondContact O-N 3.3Å; R63-R80 HydrophobicContact CG-CG 3.88Å; R63-E330 IonicContact CZ-OE2 3.96Å; R63-E330 IonicContact NH1-OE2 2.85Å; R63-E330 PolarHBondContact NH1-OE2 2.89Å; R63-E330 IonicContact NH2-OE2 2.66Å; R63-E330 PolarHBondContact NH2-OE2 2.87Å
64	Y	85.7	Confident	73.3	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.4	175.4	-57.6	-90.6	0	0	0	110.5	V34 A37 R78 R79 F81 F84 V195 Q196 L199	V34-Y64 HydrophobicContact CG1-CD1 3.87Å; V34-Y64 HydrophobicContact CG1-CG 4.19Å; A37-Y64 HydrophobicContact CB-CD1 4.29Å; A37-Y64 HydrophobicContact CB-CE1 4.24Å; Y64-R78 WeakPolarHBondContact O-CA 3.4Å; Y64-R79 PolarHBondContact N-O 3.31Å; Y64-R79 PolarHBondContact O-N 2.88Å; Y64-F81 HydrophobicContact CE2-CB 4.21Å; Y64-F84 AromaticContact CD2-CE2 3.99Å; Y64-F84 HydrophobicContact CD2-CE2 3.99Å; Y64-F84 HydrophobicContact CG-CE2 4.26Å; Y64-V195 WeakPolarHBondContact OH-CG1 3.32Å; Y64-Q196 HydrophobicContact CE1-CB 4.38Å; Y64-L199 HydrophobicContact CD1-CD1 4.44Å; Y64-L199 HydrophobicContact CD2-CD1 4.2Å; Y64-L199 HydrophobicContact CE1-CD1 4.11Å; Y64-L199 HydrophobicContact CE2-CD1 3.87Å; Y64-L199 HydrophobicContact CG-CD1 4.48Å
65	T	87.3	Confident	75.3	Confident	18 Å²	18	46.5 Å²	46.5	11%	0.11	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	128.7	166.7	-61.6	0	0	0	0	108.1	L35 T76 R78	L35-T65 WeakPolarHBondContact CA-O 3.35Å; L35-T65 WeakPolarHBondContact CB-O 3.19Å; L35-T65 PolarHBondContact N-O 3.01Å; T65-T76 HydrophobicContact CG2-CG2 4.36Å; T65-R78 HydrophobicContact CG2-CG 4.44Å; T65-R78 PolarHBondContact OG1-NE 2.92Å
66	I	91.2	Very high	77	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118	179.6	-48.1	169	0	0	0	106.7	C32 V34 L68 T76 V77 R79 F84 L203 F221	C32-I66 HydrophobicContact CB-CG2 4.18Å; V34-I66 HydrophobicContact CG2-CG1 4.48Å; V34-I66 HydrophobicContact CG2-CG2 4.5Å; I66-L68 HydrophobicContact CB-CD1 4.22Å; I66-L68 HydrophobicContact CG2-CD1 3.77Å; I66-L68 HydrophobicContact CG2-CG 4.08Å; I66-T76 CarbonylContact O-C 3.59Å; I66-T76 VanDerWaalsContact O-CA 3.28Å; I66-T76 WeakPolarHBondContact O-CA 3.28Å; I66-V77 HydrophobicContact CB-CB 4.5Å; I66-V77 PolarHBondContact N-O 2.96Å; I66-V77 PolarHBondContact O-N 2.91Å; I66-R79 HydrophobicContact CD1-CB 4.19Å; I66-R79 HydrophobicContact CD1-CG 3.88Å; I66-F84 HydrophobicContact CD1-CE1 4.12Å; I66-F84 HydrophobicContact CD1-CE2 4.39Å; I66-F84 HydrophobicContact CD1-CZ 3.64Å; I66-F84 HydrophobicContact CG1-CZ 4.06Å; I66-L203 HydrophobicContact CD1-CD2 3.95Å; I66-L203 HydrophobicContact CG2-CD2 3.79Å; I66-F221 HydrophobicContact CD1-CE1 3.64Å; I66-F221 HydrophobicContact CD1-CZ 3.89Å
67	E	92.1	Very high	78.7	Confident	83 Å²	83	41.4 Å²	41.4	39%	0.388	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.1	164.3	-75.6	172.2	161.2	0	0	108.5	C32 K33 L35 T76	C32-E67 CarbonylContact C-O 3.58Å; C32-E67 VanDerWaalsContact CA-O 3.23Å; C32-E67 WeakPolarHBondContact CA-O 3.47Å; K33-E67 HydrophobicContact CB-CB 4.33Å; K33-E67 PolarHBondContact N-O 3.11Å; K33-E67 PolarHBondContact O-N 3.15Å; L35-E67 VanDerWaalsContact CD1-CD 3.48Å; L35-E67 HydrophobicContact CD1-CG 3.94Å; L35-E67 WeakPolarHBondContact CD1-OE1 3.44Å; L35-E67 HydrophobicContact CG-CG 4.37Å; E67-T76 HydrophobicContact CG-CG2 3.78Å
68	L	93.1	Very high	80.2	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.4	172.9	-63	103.7	0	0	0	109.8	L30 S31 C32 I66 C74 W75 V77 L207 I222	L30-L68 HydrophobicContact CD1-CD2 4.4Å; S31-L68 WeakPolarHBondContact O-CA 3.14Å; C32-L68 HydrophobicContact CB-CD2 4.12Å; C32-L68 HydrophobicContact CB-CG 4.01Å; I66-L68 HydrophobicContact CB-CD1 4.22Å; I66-L68 HydrophobicContact CG2-CD1 3.77Å; I66-L68 HydrophobicContact CG2-CG 4.08Å; L68-C74 CarbonylContact O-C 3.52Å; L68-C74 VanDerWaalsContact O-CA 3.28Å; L68-C74 WeakPolarHBondContact O-CA 3.18Å; L68-W75 HydrophobicContact CB-CD2 4.01Å; L68-W75 HydrophobicContact CB-CE3 4.19Å; L68-W75 HydrophobicContact CB-CH2 3.79Å; L68-W75 HydrophobicContact CB-CZ2 3.63Å; L68-W75 HydrophobicContact CB-CZ3 4.08Å; L68-W75 HydrophobicContact CD1-CZ2 4.48Å; L68-W75 HydrophobicContact CD2-CZ2 3.99Å; L68-W75 HydrophobicContact CG-CZ2 4.24Å; L68-W75 PolarHBondContact N-O 3.47Å; L68-W75 PolarHBondContact O-N 3.41Å; L68-V77 HydrophobicContact CD1-CB 4.12Å; L68-V77 HydrophobicContact CD1-CG2 3.64Å; L68-L207 HydrophobicContact CD2-CD1 3.93Å; L68-I222 HydrophobicContact CD2-CB 3.89Å; L68-I222 HydrophobicContact CD2-CG2 3.75Å
69	E	90.9	Very high	81.9	Confident	105 Å²	105	45.1 Å²	45.1	49%	0.491	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.4	177.7	172.2	178.6	-154.1	0	0	109.4	L30 S31 H73	L30-E69 WeakPolarHBondContact CA-O 3.41Å; S31-E69 PolarHBondContact N-O 2.77Å; S31-E69 PolarHBondContact O-N 3.45Å; S31-E69 VanDerWaalsContact O-N 3.14Å; E69-H73 CarbonylContact C-O 3.54Å; E69-H73 WeakPolarHBondContact CA-O 3.24Å
70	H	89.4	Confident	83.2	Confident	1 Å²	1	47 Å²	47	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	115.3	178.6	-175.3	50.7	0	0	0	111.3	F24 I25 A28 Q29 L30 G72 H73 W75 F229	F24-H70 AromaticContact CD1-NE2 3.77Å; I25-H70 PolarHBondContact N-NE2 2.95Å; A28-H70 PolarHBondContact O-CE1 2.92Å; Q29-H70 WeakPolarHBondContact O-CA 3.13Å; Q29-H70 PolarHBondContact O-ND1 3.26Å; L30-H70 HydrophobicContact CD1-CB 3.91Å; H70-G72 PolarHBondContact O-N 3.47Å; H70-H73 PolarHBondContact N-O 2.82Å; H70-H73 WeakPolarHBondContact O-CB 3.2Å; H70-H73 PolarHBondContact O-N 3.34Å; H70-W75 HydrophobicContact CB-CH2 3.97Å; H70-W75 HydrophobicContact CB-CZ3 3.84Å; H70-F229 HydrophobicContact CB-CE1 4.27Å; H70-F229 HydrophobicContact CB-CZ 4.35Å; H70-F229 AromaticContact CD2-CD1 3.97Å; H70-F229 AromaticContact CD2-CD2 3.77Å; H70-F229 AromaticContact CD2-CE1 3.9Å; H70-F229 AromaticContact CD2-CE2 3.71Å; H70-F229 AromaticContact CD2-CG 3.9Å; H70-F229 AromaticContact CD2-CZ 3.77Å
71	G	82.6	Confident	84.4	Confident	41 Å²	41	44.7 Å²	44.7	42%	0.423	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-125.8	-171.5	0	0	0	0	0	110.6	H73	G71-H73 VanDerWaalsContact C-N 3.35Å
72	G	81.3	Confident	85.5	Confident	72 Å²	72	45.8 Å²	45.8	74%	0.742	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	18	174.3	0	0	0	0	0	115.2	H70	H70-G72 PolarHBondContact O-N 3.47Å
73	H	85	Confident	86.6	Confident	31 Å²	31	47.4 Å²	47.4	14%	0.144	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122.8	-174	-57.2	-69.4	0	0	0	112.5	E69 H70 G71 F229	E69-H73 CarbonylContact C-O 3.54Å; E69-H73 WeakPolarHBondContact CA-O 3.24Å; H70-H73 PolarHBondContact N-O 2.82Å; H70-H73 WeakPolarHBondContact O-CB 3.2Å; H70-H73 PolarHBondContact O-N 3.34Å; G71-H73 VanDerWaalsContact C-N 3.35Å; H73-F229 HydrophobicContact CB-CD1 4.23Å; H73-F229 HydrophobicContact CB-CE1 4.19Å; H73-F229 AromaticContact CD2-CD1 3.61Å
74	C	87.9	Confident	87.3	Confident	93 Å²	93	45.7 Å²	45.7	63%	0.628	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115	136.1	171	-56.1	0	0	0	0	110.4	L68	L68-C74 CarbonylContact O-C 3.52Å; L68-C74 VanDerWaalsContact O-CA 3.28Å; L68-C74 WeakPolarHBondContact O-CA 3.18Å
75	W	90.2	Very high	87.4	Confident	24 Å²	24	49.9 Å²	49.9	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.1	175.5	71	105.8	0	0	0	112	L30 L68 H70 I222 V224 F229 K236	L30-W75 HydrophobicContact CD1-CH2 3.95Å; L68-W75 HydrophobicContact CB-CD2 4.01Å; L68-W75 HydrophobicContact CB-CE3 4.19Å; L68-W75 HydrophobicContact CB-CH2 3.79Å; L68-W75 HydrophobicContact CB-CZ2 3.63Å; L68-W75 HydrophobicContact CB-CZ3 4.08Å; L68-W75 HydrophobicContact CD1-CZ2 4.48Å; L68-W75 HydrophobicContact CD2-CZ2 3.99Å; L68-W75 HydrophobicContact CG-CZ2 4.24Å; L68-W75 PolarHBondContact N-O 3.47Å; L68-W75 PolarHBondContact O-N 3.41Å; H70-W75 HydrophobicContact CB-CH2 3.97Å; H70-W75 HydrophobicContact CB-CZ3 3.84Å; W75-I222 PolarHBondContact NE1-O 2.86Å; W75-V224 HydrophobicContact CH2-CG2 4.46Å; W75-V224 HydrophobicContact CZ2-CG2 3.75Å; W75-F229 HydrophobicContact CE3-CE1 4.35Å; W75-F229 AromaticContact CH2-CE1 3.87Å; W75-F229 HydrophobicContact CH2-CE1 3.87Å; W75-F229 AromaticContact CH2-CZ 3.49Å; W75-F229 HydrophobicContact CH2-CZ 3.49Å; W75-F229 VanDerWaalsContact CH2-CZ 3.49Å; W75-F229 HydrophobicContact CZ2-CZ 4.04Å; W75-F229 AromaticContact CZ3-CE1 3.7Å; W75-F229 HydrophobicContact CZ3-CE1 3.7Å; W75-F229 AromaticContact CZ3-CZ 3.85Å; W75-F229 HydrophobicContact CZ3-CZ 3.85Å; W75-K236 HydrophobicContact CD2-CD 3.98Å; W75-K236 VanDerWaalsContact CE2-CE 3.41Å; W75-K236 HydrophobicContact CE3-CD 4.02Å; W75-K236 HydrophobicContact CG-CD 4.34Å; W75-K236 HydrophobicContact CZ3-CD 4.49Å
76	T	89.4	Confident	87.5	Confident	81 Å²	81	51.8 Å²	51.8	50%	0.497	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.6	179.1	54.2	0	0	0	0	112.5	T65 I66 E67	T65-T76 HydrophobicContact CG2-CG2 4.36Å; I66-T76 CarbonylContact O-C 3.59Å; I66-T76 VanDerWaalsContact O-CA 3.28Å; I66-T76 WeakPolarHBondContact O-CA 3.28Å; E67-T76 HydrophobicContact CG-CG2 3.78Å
77	V	89	Confident	87.5	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.6	-178.4	-177.3	0	0	0	0	109.1	I66 L68 R79 F221 I222 E223	I66-V77 HydrophobicContact CB-CB 4.5Å; I66-V77 PolarHBondContact N-O 2.96Å; I66-V77 PolarHBondContact O-N 2.91Å; L68-V77 HydrophobicContact CD1-CB 4.12Å; L68-V77 HydrophobicContact CD1-CG2 3.64Å; V77-R79 HydrophobicContact CG1-CG 4.04Å; V77-F221 WeakPolarHBondContact CG1-O 3.38Å; V77-I222 WeakPolarHBondContact CG2-O 3.42Å; V77-E223 HydrophobicContact CG1-CG 4.1Å; V77-E223 HydrophobicContact CG2-CB 4.34Å; V77-E223 HydrophobicContact CG2-CG 4.29Å
78	R	85.9	Confident	87.4	Confident	120 Å²	120	49.5 Å²	49.5	45%	0.453	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.7	178.7	-73.5	178.4	164.8	-156.2	-16.6	111.1	D38 Y64 T65	D38-R78 IonicContact OD2-CZ 2.75Å; D38-R78 IonicContact OD2-NH1 3.68Å; D38-R78 IonicContact OD2-NH2 2.66Å; D38-R78 PolarHBondContact OD2-NH2 3.21Å; Y64-R78 WeakPolarHBondContact O-CA 3.4Å; T65-R78 HydrophobicContact CG2-CG 4.44Å; T65-R78 PolarHBondContact OG1-NE 2.92Å
79	R	87.2	Confident	87.3	Confident	34 Å²	34	52 Å²	52	13%	0.128	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	141.3	-175.7	-63.1	-65.5	177.2	-106.6	10.5	110.6	Y64 I66 V77 D83 F84 D220 F221 E223	Y64-R79 PolarHBondContact N-O 3.31Å; Y64-R79 PolarHBondContact O-N 2.88Å; I66-R79 HydrophobicContact CD1-CB 4.19Å; I66-R79 HydrophobicContact CD1-CG 3.88Å; V77-R79 HydrophobicContact CG1-CG 4.04Å; R79-D83 HydrophobicContact CB-CB 4.32Å; R79-F84 HydrophobicContact CB-CD2 4.24Å; R79-F84 HydrophobicContact CB-CE2 3.81Å; R79-F84 HydrophobicContact CB-CZ 4.49Å; R79-D220 PolarHBondContact NH2-O 3.01Å; R79-F221 HydrophobicContact CB-CE2 4.01Å; R79-F221 HydrophobicContact CB-CZ 3.96Å; R79-F221 HydrophobicContact CG-CD2 4.23Å; R79-F221 HydrophobicContact CG-CE1 4.2Å; R79-F221 HydrophobicContact CG-CE2 3.64Å; R79-F221 HydrophobicContact CG-CZ 3.62Å; R79-F221 PolarHBondContact NE-O 3.44Å; R79-F221 PolarHBondContact NH2-O 2.67Å; R79-E223 IonicContact CZ-OE1 3.49Å; R79-E223 VanDerWaalsContact CZ-OE1 3.26Å; R79-E223 IonicContact NH1-OE1 2.83Å; R79-E223 PolarHBondContact NH1-OE1 3.06Å; R79-E223 IonicContact NH2-OE1 3.49Å; R79-E223 PolarHBondContact NH2-OE1 2.86Å
80	R	83.3	Confident	87.2	Confident	50 Å²	50	50.4 Å²	50.4	19%	0.189	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	161.3	169.3	-70.9	165.2	-66.8	-148.7	-12.6	110.2	S62 R63 R82 D83 F84	S62-R80 WeakPolarHBondContact O-CA 3.21Å; R63-R80 HydrophobicContact CG-CG 3.88Å; R80-R82 HydrophobicContact CB-CG 4.19Å; R80-R82 PolarHBondContact O-N 3.27Å; R80-R82 VanDerWaalsContact O-N 3.13Å; R80-D83 WeakPolarHBondContact CB-OD2 3.31Å; R80-D83 PolarHBondContact N-OD2 3.44Å; R80-D83 IonicContact NE-OD2 3.14Å; R80-D83 PolarHBondContact NE-OD2 2.97Å; R80-D83 IonicContact NH2-OD2 3.81Å; R80-D83 WeakPolarHBondContact O-CA 3.47Å; R80-D83 WeakPolarHBondContact O-CB 3.23Å; R80-D83 PolarHBondContact O-N 3.41Å; R80-F84 WeakPolarHBondContact O-CD2 3.47Å; R80-F84 PolarHBondContact O-N 3.49Å
81	F	82.4	Confident	87.2	Confident	11 Å²	11	50.4 Å²	50.4	5%	0.048	27%	0.273	C	S	.	.	H	α-helix	trans	-45.6	-45	173.3	-174.6	-92.4	0	0	0	113.5	L60 Y64 D83 F84 F85 F175 P176 V195 L199	L60-F81 HydrophobicContact CD2-CD1 3.93Å; L60-F81 HydrophobicContact CD2-CE1 4.26Å; Y64-F81 HydrophobicContact CE2-CB 4.21Å; F81-D83 PolarHBondContact O-N 3.17Å; F81-F84 WeakPolarHBondContact O-CB 3.31Å; F81-F84 PolarHBondContact O-N 3.01Å; F81-F84 VanDerWaalsContact O-N 3.13Å; F81-F85 PolarHBondContact O-N 3.44Å; F81-F175 HydrophobicContact CE2-CE1 4.46Å; F81-F175 AromaticContact CZ-CE1 3.96Å; F81-F175 HydrophobicContact CZ-CE1 3.96Å; F81-F175 HydrophobicContact CZ-CZ 4.42Å; F81-P176 HydrophobicContact CE2-CG 4.35Å; F81-P176 VanDerWaalsContact CZ-O 3.26Å; F81-P176 WeakPolarHBondContact CZ-O 3.49Å; F81-V195 HydrophobicContact CD2-CG1 4.19Å; F81-V195 HydrophobicContact CE2-CG1 4.14Å; F81-L199 HydrophobicContact CD2-CD1 4.24Å
82	R	82.2	Confident	87.4	Confident	150 Å²	150	52.3 Å²	52.3	57%	0.566	27%	0.273	S	S	*	.	H	α-helix	trans	-59.3	-30.1	177.5	80	-172.6	-160.8	171.7	11.1	114.2	R80 S86	R80-R82 HydrophobicContact CB-CG 4.19Å; R80-R82 PolarHBondContact O-N 3.27Å; R80-R82 VanDerWaalsContact O-N 3.13Å; R82-S86 WeakPolarHBondContact O-CB 3.23Å; R82-S86 PolarHBondContact O-N 3.39Å
83	D	87.4	Confident	87.5	Confident	36 Å²	36	53.8 Å²	53.8	19%	0.193	26%	0.263	C	S	.	.	H	α-helix	trans	-76	-35.9	-178.7	-51.8	-46.9	0	0	0	109.1	R79 R80 F81 S86 L87 F221	R79-D83 HydrophobicContact CB-CB 4.32Å; R80-D83 WeakPolarHBondContact CB-OD2 3.31Å; R80-D83 PolarHBondContact N-OD2 3.44Å; R80-D83 IonicContact NE-OD2 3.14Å; R80-D83 PolarHBondContact NE-OD2 2.97Å; R80-D83 IonicContact NH2-OD2 3.81Å; R80-D83 WeakPolarHBondContact O-CA 3.47Å; R80-D83 WeakPolarHBondContact O-CB 3.23Å; R80-D83 PolarHBondContact O-N 3.41Å; F81-D83 PolarHBondContact O-N 3.17Å; D83-S86 PolarHBondContact O-N 2.78Å; D83-L87 PolarHBondContact O-N 3.02Å; D83-L87 VanDerWaalsContact O-N 3.14Å; D83-F221 HydrophobicContact CB-CE2 4.24Å
84	F	89.7	Confident	87.4	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-43.7	168.8	-70.7	-97.9	0	0	0	111.9	V34 Y64 I66 R79 R80 F81 S86 L87 H88 F175 L199 L203 F221	V34-F84 HydrophobicContact CG1-CZ 4.45Å; V34-F84 HydrophobicContact CG2-CZ 4.48Å; Y64-F84 AromaticContact CD2-CE2 3.99Å; Y64-F84 HydrophobicContact CD2-CE2 3.99Å; Y64-F84 HydrophobicContact CG-CE2 4.26Å; I66-F84 HydrophobicContact CD1-CE1 4.12Å; I66-F84 HydrophobicContact CD1-CE2 4.39Å; I66-F84 HydrophobicContact CD1-CZ 3.64Å; I66-F84 HydrophobicContact CG1-CZ 4.06Å; R79-F84 HydrophobicContact CB-CD2 4.24Å; R79-F84 HydrophobicContact CB-CE2 3.81Å; R79-F84 HydrophobicContact CB-CZ 4.49Å; R80-F84 WeakPolarHBondContact O-CD2 3.47Å; R80-F84 PolarHBondContact O-N 3.49Å; F81-F84 WeakPolarHBondContact O-CB 3.31Å; F81-F84 PolarHBondContact O-N 3.01Å; F81-F84 VanDerWaalsContact O-N 3.13Å; F84-S86 VanDerWaalsContact C-N 3.3Å; F84-S86 PolarHBondContact O-N 3Å; F84-L87 WeakPolarHBondContact O-CB 3.45Å; F84-L87 PolarHBondContact O-N 2.91Å; F84-H88 PolarHBondContact O-N 3.06Å; F84-F175 HydrophobicContact CB-CE2 3.99Å; F84-F175 HydrophobicContact CB-CZ 3.95Å; F84-L199 HydrophobicContact CB-CD2 4.01Å; F84-L199 HydrophobicContact CD1-CD2 3.82Å; F84-L199 HydrophobicContact CD2-CD1 4.27Å; F84-L199 HydrophobicContact CE1-CB 4.24Å; F84-L199 HydrophobicContact CE1-CD2 4.34Å; F84-L199 HydrophobicContact CE2-CD1 4.23Å; F84-L199 HydrophobicContact CG-CD1 4.44Å; F84-L199 HydrophobicContact CG-CD2 3.91Å; F84-L199 HydrophobicContact CZ-CD1 4.34Å; F84-L203 HydrophobicContact CE1-CD2 4.22Å; F84-F221 HydrophobicContact CD1-CE1 4.31Å; F84-F221 HydrophobicContact CD1-CE2 4.4Å; F84-F221 AromaticContact CD1-CZ 3.58Å; F84-F221 HydrophobicContact CD1-CZ 3.58Å; F84-F221 HydrophobicContact CD2-CE2 4.43Å; F84-F221 HydrophobicContact CD2-CZ 4.04Å; F84-F221 HydrophobicContact CE1-CE1 4.21Å; F84-F221 AromaticContact CE1-CZ 3.72Å; F84-F221 HydrophobicContact CE1-CZ 3.72Å; F84-F221 HydrophobicContact CE2-CZ 4.14Å; F84-F221 HydrophobicContact CG-CE2 4.2Å; F84-F221 AromaticContact CG-CZ 3.76Å; F84-F221 HydrophobicContact CG-CZ 3.76Å; F84-F221 AromaticContact CZ-CZ 3.99Å; F84-F221 HydrophobicContact CZ-CZ 3.99Å
85	F	88.3	Confident	87.2	Confident	89 Å²	89	52.8 Å²	52.8	39%	0.39	25%	0.248	S	C	.	.	H	α-helix	trans	-62.8	-37.9	177.2	-179.1	-108.2	0	0	0	111.8	F81 H88 N89 F175	F81-F85 PolarHBondContact O-N 3.44Å; F85-H88 PolarHBondContact O-N 2.85Å; F85-N89 WeakPolarHBondContact CD1-ND2 3.48Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.32Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.29Å; F85-N89 PolarHBondContact O-N 2.87Å; F85-N89 VanDerWaalsContact O-N 3.07Å; F85-N89 PolarHBondContact O-ND2 2.97Å; F85-N89 VanDerWaalsContact O-ND2 3.17Å; F85-F175 HydrophobicContact CB-CE1 4.21Å; F85-F175 HydrophobicContact CB-CZ 4.1Å; F85-F175 HydrophobicContact CD2-CD1 4.41Å; F85-F175 AromaticContact CD2-CE1 3.89Å; F85-F175 HydrophobicContact CD2-CE1 3.89Å
86	S	88.3	Confident	86.7	Confident	59 Å²	59	53.9 Å²	53.9	41%	0.413	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-50.1	171.6	-160	0	0	0	0	111.1	R82 D83 F84 H88 N89 H90	R82-S86 WeakPolarHBondContact O-CB 3.23Å; R82-S86 PolarHBondContact O-N 3.39Å; D83-S86 PolarHBondContact O-N 2.78Å; F84-S86 VanDerWaalsContact C-N 3.3Å; F84-S86 PolarHBondContact O-N 3Å; S86-H88 VanDerWaalsContact C-N 3.33Å; S86-H88 PolarHBondContact O-N 3.15Å; S86-N89 PolarHBondContact O-N 3.11Å; S86-H90 PolarHBondContact O-CD2 3.01Å; S86-H90 PolarHBondContact O-N 3.35Å; S86-H90 VanDerWaalsContact O-N 3.07Å
87	L	91.2	Very high	86	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-57	-45.2	177.1	176.5	62.8	0	0	0	111.9	D83 F84 N89 H90 I91 L203 E217 F221	D83-L87 PolarHBondContact O-N 3.02Å; D83-L87 VanDerWaalsContact O-N 3.14Å; F84-L87 WeakPolarHBondContact O-CB 3.45Å; F84-L87 PolarHBondContact O-N 2.91Å; L87-N89 VanDerWaalsContact C-N 3.34Å; L87-N89 PolarHBondContact O-N 3.02Å; L87-H90 PolarHBondContact O-N 3.04Å; L87-I91 HydrophobicContact CD1-CD1 4.08Å; L87-I91 HydrophobicContact CD1-CG1 4.38Å; L87-I91 HydrophobicContact CG-CD1 3.94Å; L87-I91 WeakPolarHBondContact O-CG1 3.31Å; L87-I91 PolarHBondContact O-N 2.73Å; L87-L203 HydrophobicContact CD2-CD1 4.33Å; L87-E217 HydrophobicContact CD1-CB 4.29Å; L87-F221 HydrophobicContact CB-CD2 4.19Å; L87-F221 HydrophobicContact CD1-CB 4.47Å; L87-F221 HydrophobicContact CD2-CB 4.14Å; L87-F221 HydrophobicContact CD2-CD1 3.8Å; L87-F221 HydrophobicContact CD2-CD2 4.11Å; L87-F221 HydrophobicContact CD2-CE1 4.18Å; L87-F221 HydrophobicContact CD2-CE2 4.47Å; L87-F221 HydrophobicContact CD2-CG 3.76Å
88	H	91.5	Very high	84.9	Confident	28 Å²	28	60 Å²	60	13%	0.13	28%	0.28	C	S	.	.	H	α-helix	trans	-55.5	-47.5	176.5	-179.1	63.5	0	0	0	112.1	F84 F85 S86 H90 I91 L92 F175 Y202	F84-H88 PolarHBondContact O-N 3.06Å; F85-H88 PolarHBondContact O-N 2.85Å; S86-H88 VanDerWaalsContact C-N 3.33Å; S86-H88 PolarHBondContact O-N 3.15Å; H88-H90 PolarHBondContact O-N 3.29Å; H88-I91 PolarHBondContact O-N 2.75Å; H88-L92 WeakPolarHBondContact NE2-CD1 3.36Å; H88-L92 WeakPolarHBondContact O-CG 3.39Å; H88-L92 PolarHBondContact O-N 3.45Å; H88-F175 HydrophobicContact CB-CD2 3.64Å; H88-F175 HydrophobicContact CB-CE2 3.83Å; H88-F175 HydrophobicContact CB-CG 4.07Å; H88-F175 HydrophobicContact CB-CZ 4.41Å; H88-F175 AromaticContact CD2-CG 3.87Å; H88-F175 VanDerWaalsContact CE1-CB 3.48Å; H88-F175 WeakPolarHBondContact CE1-CB 3.4Å; H88-F175 AromaticContact CG-CD2 3.66Å; H88-F175 AromaticContact CG-CG 3.66Å; H88-F175 AromaticContact ND1-CD2 3.84Å; H88-F175 AromaticContact ND1-CG 3.86Å; H88-Y202 AromaticContact ND1-CE2 3.81Å; H88-Y202 AromaticContact ND1-CZ 3.46Å; H88-Y202 PolarHBondContact ND1-OH 3.23Å
89	N	89.9	Confident	83.7	Confident	57 Å²	57	60.4 Å²	60.4	31%	0.305	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-37.3	177.9	-68	-33.4	0	0	0	112.8	F85 S86 L87 L92 L93	F85-N89 WeakPolarHBondContact CD1-ND2 3.48Å; F85-N89 WeakPolarHBondContact CE1-ND2 3.32Å; F85-N89 WeakPolarHBondContact CZ-ND2 3.29Å; F85-N89 PolarHBondContact O-N 2.87Å; F85-N89 VanDerWaalsContact O-N 3.07Å; F85-N89 PolarHBondContact O-ND2 2.97Å; F85-N89 VanDerWaalsContact O-ND2 3.17Å; S86-N89 PolarHBondContact O-N 3.11Å; L87-N89 VanDerWaalsContact C-N 3.34Å; L87-N89 PolarHBondContact O-N 3.02Å; N89-L92 PolarHBondContact O-N 3.14Å; N89-L93 WeakPolarHBondContact O-CB 3.48Å; N89-L93 VanDerWaalsContact O-CG 3.28Å; N89-L93 WeakPolarHBondContact O-CG 3.08Å; N89-L93 PolarHBondContact O-N 3.47Å
90	H	89	Confident	82.1	Confident	71 Å²	71	67.6 Å²	67.6	33%	0.329	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-39.9	173.2	-80.9	-87.1	0	0	0	112.2	S86 L87 H88 L93 H94 E217	S86-H90 PolarHBondContact O-CD2 3.01Å; S86-H90 PolarHBondContact O-N 3.35Å; S86-H90 VanDerWaalsContact O-N 3.07Å; L87-H90 PolarHBondContact O-N 3.04Å; H88-H90 PolarHBondContact O-N 3.29Å; H90-L93 PolarHBondContact O-N 3.2Å; H90-H94 PolarHBondContact O-N 3.14Å; H90-E217 HydrophobicContact CB-CB 4.04Å; H90-E217 HydrophobicContact CB-CG 4Å; H90-E217 IonicContact CE1-OE1 3.27Å; H90-E217 IonicContact CG-OE1 3.48Å; H90-E217 WeakPolarHBondContact ND1-CG 3.34Å; H90-E217 IonicContact ND1-OE1 3.38Å; H90-E217 PolarHBondContact ND1-OE1 3.07Å
91	I	88.8	Confident	80.2	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-42.3	175	-67.2	166.2	0	0	0	111	L87 H88 H94 K95 L172 V206 Y212 L215	L87-I91 HydrophobicContact CD1-CD1 4.08Å; L87-I91 HydrophobicContact CD1-CG1 4.38Å; L87-I91 HydrophobicContact CG-CD1 3.94Å; L87-I91 WeakPolarHBondContact O-CG1 3.31Å; L87-I91 PolarHBondContact O-N 2.73Å; H88-I91 PolarHBondContact O-N 2.75Å; I91-H94 PolarHBondContact O-N 3.18Å; I91-K95 PolarHBondContact O-N 3.33Å; I91-L172 HydrophobicContact CG2-CD1 3.92Å; I91-V206 HydrophobicContact CD1-CB 4.41Å; I91-V206 HydrophobicContact CD1-CG1 3.68Å; I91-V206 HydrophobicContact CD1-CG2 3.73Å; I91-Y212 HydrophobicContact CG2-CD1 3.88Å; I91-Y212 HydrophobicContact CG2-CE1 4.1Å; I91-Y212 HydrophobicContact CG2-CG 4.19Å; I91-L215 HydrophobicContact CG1-CD1 4.13Å
92	L	86.8	Confident	78.1	Confident	82 Å²	82	72.9 Å²	72.9	43%	0.429	36%	0.361	S	S	.	.	H	α-helix	trans	-61.9	-43.2	174.2	-70.3	-178.1	0	0	0	112.3	H88 N89 H94 K95 A96	H88-L92 WeakPolarHBondContact NE2-CD1 3.36Å; H88-L92 WeakPolarHBondContact O-CG 3.39Å; H88-L92 PolarHBondContact O-N 3.45Å; N89-L92 PolarHBondContact O-N 3.14Å; L92-H94 VanDerWaalsContact C-N 3.29Å; L92-H94 PolarHBondContact O-N 2.88Å; L92-K95 PolarHBondContact O-N 3.27Å; L92-A96 WeakPolarHBondContact O-CB 3.34Å; L92-A96 PolarHBondContact O-N 3.12Å
93	L	84.8	Confident	76.2	Confident	102 Å²	102	76.6 Å²	76.6	53%	0.534	38%	0.375	S	S	.	.	H	α-helix	trans	-63.1	-35.4	174.7	-72.7	169.3	0	0	0	112	N89 H90 K97	N89-L93 WeakPolarHBondContact O-CB 3.48Å; N89-L93 VanDerWaalsContact O-CG 3.28Å; N89-L93 WeakPolarHBondContact O-CG 3.08Å; N89-L93 PolarHBondContact O-N 3.47Å; H90-L93 PolarHBondContact O-N 3.2Å; L93-K97 WeakPolarHBondContact O-CG 3.49Å; L93-K97 PolarHBondContact O-N 3.27Å
94	H	83.1	Confident	73.9	Confident	54 Å²	54	85.8 Å²	85.8	25%	0.25	41%	0.407	C	S	.	.	H	α-helix	trans	-68.6	-45.9	174.6	-164.7	85.2	0	0	0	111.8	H90 I91 L92 A96 K97 R98 L215	H90-H94 PolarHBondContact O-N 3.14Å; I91-H94 PolarHBondContact O-N 3.18Å; L92-H94 VanDerWaalsContact C-N 3.29Å; L92-H94 PolarHBondContact O-N 2.88Å; H94-A96 VanDerWaalsContact C-N 3.35Å; H94-A96 PolarHBondContact O-N 3.05Å; H94-K97 PolarHBondContact O-N 3.02Å; H94-R98 PolarHBondContact O-N 2.84Å; H94-L215 HydrophobicContact CB-CD1 4.07Å; H94-L215 VanDerWaalsContact CE1-CD2 3.46Å; H94-L215 WeakPolarHBondContact CE1-CD2 3.06Å; H94-L215 WeakPolarHBondContact ND1-CD2 3.16Å
95	K	83.1	Confident	71.7	Confident	49 Å²	49	93.7 Å²	93.7	21%	0.213	44%	0.441	C	S	.	.	H	α-helix	trans	-54.9	-48	171.8	-79.9	-168.7	162.7	-157	0	111.5	I91 L92 K97 R98 N99 D169 Y212	I91-K95 PolarHBondContact O-N 3.33Å; L92-K95 PolarHBondContact O-N 3.27Å; K95-K97 PolarHBondContact O-N 3.3Å; K95-R98 WeakPolarHBondContact O-CB 3.3Å; K95-R98 PolarHBondContact O-N 3.25Å; K95-N99 PolarHBondContact O-N 3.42Å; K95-D169 PolarHBondContact NZ-O 2.81Å; K95-D169 VanDerWaalsContact NZ-O 3.15Å; K95-Y212 WeakPolarHBondContact CE-OH 3.37Å; K95-Y212 HydrophobicContact CG-CE1 4.21Å
96	A	79	Confident	69.2	Low	47 Å²	47	92.5 Å²	92.5	39%	0.388	44%	0.435	S	S	.	.	H	α-helix	trans	-61	-45.1	178.9	0	0	0	0	0	112.4	L92 H94 R98 N99 F100	L92-A96 WeakPolarHBondContact O-CB 3.34Å; L92-A96 PolarHBondContact O-N 3.12Å; H94-A96 VanDerWaalsContact C-N 3.35Å; H94-A96 PolarHBondContact O-N 3.05Å; A96-R98 VanDerWaalsContact C-N 3.33Å; A96-R98 PolarHBondContact O-N 3.3Å; A96-N99 PolarHBondContact O-N 3.08Å; A96-F100 PolarHBondContact O-N 3.3Å
97	K	74.9	Confident	66.8	Low	145 Å²	145	93.3 Å²	93.3	63%	0.63	44%	0.437	S	S	*	.	H	α-helix	trans	-61.4	-39	176.2	-75.8	175.1	-179.7	-178.5	0	112.6	L93 H94 K95 N99 F100 I101	L93-K97 WeakPolarHBondContact O-CG 3.49Å; L93-K97 PolarHBondContact O-N 3.27Å; H94-K97 PolarHBondContact O-N 3.02Å; K95-K97 PolarHBondContact O-N 3.3Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 2.78Å; K97-F100 PolarHBondContact O-N 3.23Å; K97-I101 WeakPolarHBondContact O-CG1 3.45Å
98	R	66.8	Low	64.2	Low	66 Å²	66	99.2 Å²	99.2	25%	0.249	47%	0.468	C	S	.	.	H	α-helix	trans	-59.8	-39.6	177.4	-165.8	-178.5	-171.6	-168.9	4.1	111.8	H94 K95 A96 F100 I101 Y106 D169	H94-R98 PolarHBondContact O-N 2.84Å; K95-R98 WeakPolarHBondContact O-CB 3.3Å; K95-R98 PolarHBondContact O-N 3.25Å; A96-R98 VanDerWaalsContact C-N 3.33Å; A96-R98 PolarHBondContact O-N 3.3Å; R98-F100 VanDerWaalsContact C-N 3.29Å; R98-F100 PolarHBondContact O-N 3.21Å; R98-I101 PolarHBondContact O-N 3.24Å; R98-Y106 HydrophobicContact CG-CE2 4.18Å; R98-D169 IonicContact CZ-OD1 2.81Å; R98-D169 IonicContact CZ-OD2 2.93Å; R98-D169 VanDerWaalsContact NH1-CG 3.27Å; R98-D169 IonicContact NH1-OD1 3.56Å; R98-D169 PolarHBondContact NH1-OD1 2.71Å; R98-D169 IonicContact NH1-OD2 3.76Å; R98-D169 PolarHBondContact NH1-OD2 3Å; R98-D169 VanDerWaalsContact NH1-OD2 3.12Å
99	N	60.2	Low	61.6	Low	128 Å²	128	107.3 Å²	107.3	68%	0.684	50%	0.499	S	S	*	.	H	α-helix	trans	-71.3	-18.3	-179.9	-68.8	-7.9	0	0	0	114.4	K95 A96 K97	K95-N99 PolarHBondContact O-N 3.42Å; A96-N99 PolarHBondContact O-N 3.08Å; K97-N99 VanDerWaalsContact C-N 3.29Å; K97-N99 PolarHBondContact O-N 2.78Å
100	F	54	Low	59.2	Low	185 Å²	185	109.6 Å²	109.6	81%	0.811	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-3	180	-90.4	-89.1	0	0	0	114.5	A96 K97 R98	A96-F100 PolarHBondContact O-N 3.3Å; K97-F100 PolarHBondContact O-N 3.23Å; R98-F100 VanDerWaalsContact C-N 3.29Å; R98-F100 PolarHBondContact O-N 3.21Å
101	I	42	Very low	56.6	Low	75 Å²	75	113 Å²	113	39%	0.385	53%	0.528	S	S	.	.	S	Bend	trans	-98.1	122.6	-178.3	-65.6	163.6	0	0	0	109.9	K97 R98 R103 K105 Y106	K97-I101 WeakPolarHBondContact O-CG1 3.45Å; R98-I101 PolarHBondContact O-N 3.24Å; I101-R103 PolarHBondContact O-N 2.86Å; I101-K105 HydrophobicContact CG2-CB 4.33Å; I101-Y106 HydrophobicContact CB-CD2 4.08Å; I101-Y106 HydrophobicContact CB-CE2 4.18Å; I101-Y106 HydrophobicContact CD1-CE2 3.85Å; I101-Y106 HydrophobicContact CG2-CD2 3.75Å; I101-Y106 HydrophobicContact CG2-CE2 4.21Å
102	P	40	Very low	54	Low	98 Å²	98	119.1 Å²	119.1	64%	0.636	56%	0.56	S	S	*	*			trans	-57	129.8	178	-25.6	34.2	0	0	0	112.1	R104 K105	P102-R104 PolarHBondContact O-N 3.39Å; P102-K105 PolarHBondContact O-N 3.01Å
103	R	41	Very low	51.4	Low	228 Å²	228	121.5 Å²	121.5	86%	0.86	57%	0.569	S	S	*	*	H	α-helix	trans	-47.4	-30.8	-173.7	-77.1	-178.3	169.3	177.3	-4.4	114.4	I101 K105 Y106 V107	I101-R103 PolarHBondContact O-N 2.86Å; R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 3.09Å; R103-Y106 PolarHBondContact O-N 2.85Å; R103-V107 WeakPolarHBondContact O-CG2 3.36Å; R103-V107 PolarHBondContact O-N 3.4Å
104	R	40.1	Very low	48.9	Very low	229 Å²	229	121.3 Å²	121.3	86%	0.864	57%	0.574	S	S	*	*	H	α-helix	trans	-61.2	-25.3	176.9	-92.4	-178.6	167.4	168.1	-4.4	115.7	P102	P102-R104 PolarHBondContact O-N 3.39Å
105	K	42.3	Very low	46.4	Very low	167 Å²	167	125 Å²	125	73%	0.726	60%	0.596	S	S	*	*	H	α-helix	trans	-89.3	-24.1	175.5	-84.8	-171	173.8	-176.9	0	114	I101 P102 R103	I101-K105 HydrophobicContact CG2-CB 4.33Å; P102-K105 PolarHBondContact O-N 3.01Å; R103-K105 VanDerWaalsContact C-N 3.32Å; R103-K105 PolarHBondContact O-N 3.09Å
106	Y	37.3	Very low	43.9	Very low	65 Å²	65	133.6 Å²	133.6	26%	0.255	63%	0.627	S	S	.	*	H	α-helix	trans	-75.8	-32.4	178.1	-116.9	-81.5	0	0	0	112.7	R98 I101 R103 Y109 I110	R98-Y106 HydrophobicContact CG-CE2 4.18Å; I101-Y106 HydrophobicContact CB-CD2 4.08Å; I101-Y106 HydrophobicContact CB-CE2 4.18Å; I101-Y106 HydrophobicContact CD1-CE2 3.85Å; I101-Y106 HydrophobicContact CG2-CD2 3.75Å; I101-Y106 HydrophobicContact CG2-CE2 4.21Å; R103-Y106 PolarHBondContact O-N 2.85Å; Y106-Y109 PolarHBondContact O-N 2.78Å; Y106-I110 HydrophobicContact CD1-CD1 4.21Å; Y106-I110 PolarHBondContact O-N 3.17Å
107	V	38.1	Very low	41.4	Very low	76 Å²	76	136.1 Å²	136.1	46%	0.461	64%	0.642	S	S	.	*	H	α-helix	trans	-64.1	-42	179.5	169.8	0	0	0	0	111.3	R103 Y109 I110 M111	R103-V107 WeakPolarHBondContact O-CG2 3.36Å; R103-V107 PolarHBondContact O-N 3.4Å; V107-Y109 VanDerWaalsContact C-N 3.28Å; V107-Y109 PolarHBondContact O-N 3.04Å; V107-I110 PolarHBondContact O-N 2.75Å; V107-M111 HydrophobicContact CG1-CG 4.03Å; V107-M111 HydrophobicContact CG1-SD 3.28Å; V107-M111 WeakPolarHBondContact CG1-SD 3.43Å; V107-M111 WeakPolarHBondContact O-CB 3.45Å; V107-M111 VanDerWaalsContact O-CG 3.29Å; V107-M111 WeakPolarHBondContact O-CG 3.27Å; V107-M111 PolarHBondContact O-N 3.2Å
108	L	36.5	Very low	39.2	Very low	131 Å²	131	133.6 Å²	133.6	69%	0.686	64%	0.642	S	S	*	*	H	α-helix	trans	-64.3	-26.8	174.4	-81	158.4	0	0	0	114	I110	L108-I110 VanDerWaalsContact C-N 3.33Å
109	Y	35.4	Very low	37.3	Very low	197 Å²	197	140.3 Å²	140.3	77%	0.773	67%	0.673	S	S	*	*	H	α-helix	trans	-81.5	-13.7	177.7	-160.8	-92.6	0	0	0	113.1	Y106 V107	Y106-Y109 PolarHBondContact O-N 2.78Å; V107-Y109 VanDerWaalsContact C-N 3.28Å; V107-Y109 PolarHBondContact O-N 3.04Å
110	I	39.7	Very low	35.8	Very low	105 Å²	105	141.7 Å²	141.7	54%	0.538	68%	0.679	S	S	.	*	H	α-helix	trans	-106.6	-28	178.9	-63.6	173.6	0	0	0	110.9	Y106 V107 L108	Y106-I110 HydrophobicContact CD1-CD1 4.21Å; Y106-I110 PolarHBondContact O-N 3.17Å; V107-I110 PolarHBondContact O-N 2.75Å; L108-I110 VanDerWaalsContact C-N 3.33Å
111	M	34.1	Very low	34.5	Very low	144 Å²	144	137.4 Å²	137.4	71%	0.709	67%	0.665	S	S	*	*	H	α-helix	trans	-82.3	-7.5	178.4	-69.7	-177.9	74.7	0	0	115.2	V107 Q113	V107-M111 HydrophobicContact CG1-CG 4.03Å; V107-M111 HydrophobicContact CG1-SD 3.28Å; V107-M111 WeakPolarHBondContact CG1-SD 3.43Å; V107-M111 WeakPolarHBondContact O-CB 3.45Å; V107-M111 VanDerWaalsContact O-CG 3.29Å; V107-M111 WeakPolarHBondContact O-CG 3.27Å; V107-M111 PolarHBondContact O-N 3.2Å; M111-Q113 PolarHBondContact O-N 2.65Å
112	D	35.4	Very low	33.9	Very low	128 Å²	128	141.5 Å²	141.5	68%	0.684	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	8.7	171.5	-161.8	47.4	0	0	0	112.8
113	Q	32.4	Very low	33.3	Very low	132 Å²	132	145 Å²	145	62%	0.617	69%	0.691	S	S	*	*	S	Bend	trans	-84.7	116.1	161.6	-67.6	-67.4	-29	0	0	107.8	M111 D115	M111-Q113 PolarHBondContact O-N 2.65Å; Q113-D115 PolarHBondContact O-N 2.88Å
114	P	32.2	Very low	32.7	Very low	98 Å²	98	143.2 Å²	143.2	64%	0.636	69%	0.692	S	S	*	*			trans	-65.3	114.6	-179.5	25.7	-33	0	0	0	109.7	R116	P114-R116 PolarHBondContact O-N 3.26Å
115	D	29	Very low	32.1	Very low	132 Å²	132	139 Å²	139	71%	0.706	70%	0.697	S	S	*	*			trans	-60.4	98.7	178.9	-168.1	-8.6	0	0	0	110.1	Q113 S117	Q113-D115 PolarHBondContact O-N 2.88Å; D115-S117 VanDerWaalsContact C-N 3.27Å; D115-S117 PolarHBondContact O-N 3.39Å; D115-S117 WeakPolarHBondContact OD1-CB 3.33Å; D115-S117 PolarHBondContact OD1-N 3.26Å; D115-S117 PolarHBondContact OD1-OG 3.47Å
116	R	30.8	Very low	31.3	Very low	230 Å²	230	135.3 Å²	135.3	87%	0.868	70%	0.697	S	S	*	*			trans	-93.8	36.3	178.5	-73.3	-164.4	-179.4	-163.2	2.7	112.5	P114 S118	P114-R116 PolarHBondContact O-N 3.26Å; R116-S118 PolarHBondContact O-N 3.17Å
117	S	27.4	Very low	30.8	Very low	100 Å²	100	139.9 Å²	139.9	70%	0.699	72%	0.724	S	S	*	*			trans	-85.2	45.2	165.3	62.8	0	0	0	0	112.8	D115	D115-S117 VanDerWaalsContact C-N 3.27Å; D115-S117 PolarHBondContact O-N 3.39Å; D115-S117 WeakPolarHBondContact OD1-CB 3.33Å; D115-S117 PolarHBondContact OD1-N 3.26Å; D115-S117 PolarHBondContact OD1-OG 3.47Å
118	S	28.7	Very low	30.5	Very low	92 Å²	92	144.3 Å²	144.3	64%	0.643	74%	0.744	S	S	*	*	S	Bend	trans	-140.5	103.1	177	69	0	0	0	0	113.9	R116	R116-S118 PolarHBondContact O-N 3.17Å
119	K	27.6	Very low	30	Very low	207 Å²	207	144.3 Å²	144.3	90%	0.9	75%	0.75	S	S	*	*			trans	47.4	77.9	155.7	-59.7	-179	-175.3	178	0	116.7	D121	K119-D121 PolarHBondContact O-N 3.11Å
120	I	26.9	Very low	29.7	Very low	156 Å²	156	144.5 Å²	144.5	80%	0.8	76%	0.758	S	S	*	*			trans	-73.8	116	144	-63.5	175.9	0	0	0	106.3	I122	I120-I122 PolarHBondContact O-N 3.05Å
121	D	28.7	Very low	29.1	Very low	96 Å²	96	142.9 Å²	142.9	51%	0.513	77%	0.767	S	S	.	*			trans	-75.5	114	175.6	-167.8	-3.2	0	0	0	109.4	K119 K123	K119-D121 PolarHBondContact O-N 3.11Å; D121-K123 PolarHBondContact O-N 3.19Å
122	I	28.3	Very low	29	Very low	161 Å²	161	142.8 Å²	142.8	83%	0.826	77%	0.774	S	S	*	*	S	Bend	trans	-81.9	55.4	-172.7	-53.4	175.1	0	0	0	109.3	I120	I120-I122 PolarHBondContact O-N 3.05Å
123	K	27.6	Very low	28.5	Very low	172 Å²	172	143.7 Å²	143.7	75%	0.748	78%	0.779	S	S	*	*			trans	-134.2	9.8	-170.4	-81.2	-166.6	171.9	-175.2	0	117.4	D121	D121-K123 PolarHBondContact O-N 3.19Å
124	Q	29	Very low	28.4	Very low	189 Å²	189	146.3 Å²	146.3	88%	0.883	79%	0.793	S	S	*	*	S	Bend	trans	-127.9	8.7	174.7	-79.9	-171.5	-20.1	0	0	116.7
125	C	27.3	Very low	28.2	Very low	142 Å²	142	148.5 Å²	148.5	96%	0.959	80%	0.799	S	S	*	*	S	Bend	trans	-111.9	39	171.5	-69.5	0	0	0	0	113.3
126	A	25.5	Very low	28.4	Very low	88 Å²	88	152.2 Å²	152.2	73%	0.727	81%	0.809	S	S	*	*			trans	-144.5	89	174.5	0	0	0	0	0	111.1
127	I	26.6	Very low	28.4	Very low	162 Å²	162	148 Å²	148	83%	0.831	81%	0.809	S	S	*	*			trans	-167.5	142.8	160.1	-99	146.3	0	0	0	106.7
128	L	30.5	Very low	29	Very low	169 Å²	169	148.7 Å²	148.7	89%	0.885	81%	0.811	S	S	*	*			trans	79.9	42.7	-174.9	-52.1	-178.6	0	0	0	118.3
129	T	26.9	Very low	29.1	Very low	131 Å²	131	150.4 Å²	150.4	80%	0.804	82%	0.818	S	S	*	*			trans	-104	96.4	140.9	47.8	0	0	0	0	109.4
130	H	28.7	Very low	29.2	Very low	201 Å²	201	147.4 Å²	147.4	93%	0.931	81%	0.812	S	S	*	*			trans	-172.8	134.6	156.7	-101.4	-63.8	0	0	0	111.6
131	G	28.6	Very low	29.5	Very low	71 Å²	71	145.6 Å²	145.6	73%	0.732	81%	0.808	S	S	*	*			trans	90.3	126.9	177.9	0	0	0	0	0	113.3
132	T	30.3	Very low	29.7	Very low	142 Å²	142	146 Å²	146	87%	0.871	82%	0.818	S	S	*	*			cis	-153.2	145.4	2.7	-48.6	0	0	0	0	109.2
133	L	25.9	Very low	30.1	Very low	147 Å²	147	144 Å²	144	77%	0.77	82%	0.815	S	S	*	*			trans	-63.7	135	171.7	-75.4	79.4	0	0	0	110.7
134	M	31	Very low	30.5	Very low	186 Å²	186	143.8 Å²	143.8	92%	0.916	82%	0.822	S	S	*	*			trans	-147.2	122	140.7	-92	-56	159.3	0	0	110.2
135	N	27.5	Very low	30.6	Very low	145 Å²	145	141.8 Å²	141.8	78%	0.775	82%	0.817	S	S	*	*			trans	-71.8	141.4	173.7	-69.8	-35.9	0	0	0	111
136	K	33.1	Very low	30.9	Very low	210 Å²	210	138.8 Å²	138.8	91%	0.913	81%	0.81	S	S	*	*				-167.1	141.7	126.9	-104.5	160.8	-174.3	-177.7	0	111.8
137	T	30.9	Very low	30.9	Very low	140 Å²	140	140.4 Å²	140.4	86%	0.859	81%	0.811	S	S	*	*			trans	-96.6	171.2	-166.8	24.1	0	0	0	0	113.5
138	P	40	Very low	31.1	Very low	115 Å²	115	139 Å²	139	75%	0.747	81%	0.81	S	S	*	*			trans	-115	171.3	-155.3	43.1	-35.7	0	0	0	115.9
139	T	31	Very low	31	Very low	128 Å²	128	136.2 Å²	136.2	79%	0.785	80%	0.799	S	S	*	*			trans	-156.8	154.7	159.3	42.9	0	0	0	0	107.2
140	D	29.1	Very low	30.9	Very low	144 Å²	144	138.2 Å²	138.2	77%	0.77	80%	0.804	S	S	*	*			cis	-160.5	-176.3	3.9	-128.1	-42.1	0	0	0	112.2
141	V	33.8	Very low	31.1	Very low	119 Å²	119	138.2 Å²	138.2	72%	0.721	80%	0.802	S	S	*	*			trans	90.5	67.2	160.6	-156.6	0	0	0	0	120
142	S	32.9	Very low	31.1	Very low	104 Å²	104	144.3 Å²	144.3	73%	0.727	81%	0.811	S	S	*	*				68	150	120.5	70.4	0	0	0	0	125
143	P	36.8	Very low	31.1	Very low	118 Å²	118	141 Å²	141	77%	0.766	81%	0.805	S	S	*	*			trans	-122.1	-171	-166.5	43.1	-26.4	0	0	0	114.9
144	L	34.4	Very low	31.2	Very low	168 Å²	168	140 Å²	140	88%	0.88	81%	0.81	S	S	*	*			trans	-142.7	141.2	160.9	-110.9	165	0	0	0	112.1
145	D	31.9	Very low	31.1	Very low	148 Å²	148	138.5 Å²	138.5	79%	0.791	81%	0.811	S	S	*	*			trans	-74.1	163.4	-155.7	-61	-78.7	0	0	0	119
146	G	33	Very low	31.2	Very low	79 Å²	79	135 Å²	135	81%	0.814	81%	0.809	S	S	*	*			trans	-179.5	60.6	172.8	0	0	0	0	0	115.1
147	V	26.7	Very low	31	Very low	122 Å²	122	130.3 Å²	130.3	74%	0.739	80%	0.803	S	S	*	*			trans	-67.1	143.2	-176.1	173.4	0	0	0	0	113.7
148	V	29.4	Very low	30.9	Very low	133 Å²	133	131.7 Å²	131.7	81%	0.806	80%	0.804	S	S	*	*				-175.6	101.7	126.4	153.1	0	0	0	0	112.5
149	T	28.3	Very low	30.5	Very low	109 Å²	109	131.8 Å²	131.8	67%	0.669	80%	0.804	S	S	*	*			trans	31.7	115	133.5	-25.4	0	0	0	0	121.9
150	L	25.9	Very low	30.4	Very low	173 Å²	173	130.8 Å²	130.8	91%	0.906	80%	0.803	S	S	*	*			trans	-83.2	146.6	155.7	-73.4	163.4	0	0	0	111.3
151	K	32.5	Very low	30.4	Very low	201 Å²	201	129.5 Å²	129.5	87%	0.874	81%	0.805	S	S	*	*			trans	-129.1	137.3	161.6	-87.6	-169.2	173.7	-176.8	0	111.1
152	H	28.6	Very low	30.1	Very low	200 Å²	200	128.9 Å²	128.9	93%	0.926	81%	0.806	S	S	*	*			trans	-73.1	158.1	177.4	-72.1	-28.5	0	0	0	113.4
153	G	29.7	Very low	29.7	Very low	73 Å²	73	129.3 Å²	129.3	75%	0.753	81%	0.809	S	S	*	*			trans	-170.5	66.9	177.2	0	0	0	0	0	115.2
154	S	29.1	Very low	29.2	Very low	125 Å²	125	130.7 Å²	130.7	87%	0.874	82%	0.815	S	S	*	*			trans	50.2	117.1	145.2	-52.2	0	0	0	0	123.3
155	V	28.6	Very low	28.8	Very low	155 Å²	155	127.5 Å²	127.5	94%	0.939	81%	0.807	S	S	*	*			trans	-18.7	139.4	152.1	-175.5	0	0	0	0	118.2
156	G	29.4	Very low	28.6	Very low	70 Å²	70	126.1 Å²	126.1	72%	0.722	81%	0.809	S	S	*	*			trans	-164.6	89.7	165.8	0	0	0	0	0	115.5
157	S	28.8	Very low	28.5	Very low	113 Å²	113	127.1 Å²	127.1	79%	0.79	80%	0.804	S	S	*	*			trans	30.4	126.2	154	56.4	0	0	0	0	122.9
158	L	29.7	Very low	29	Very low	169 Å²	169	129.4 Å²	129.4	89%	0.885	81%	0.812	S	S	*	*			trans	-67.8	160.7	156.1	-76.8	97.3	0	0	0	112.6
159	P	31.7	Very low	29.8	Very low	116 Å²	116	126 Å²	126	75%	0.753	79%	0.789	S	S	*	*			trans	-130.5	136.9	134.6	23.9	-5.9	0	0	0	115.4
160	S	27.9	Very low	30.7	Very low	107 Å²	107	127 Å²	127	75%	0.748	79%	0.791	S	S	*	*			trans	12.6	134.1	150.3	56.3	0	0	0	0	122.7
161	S	29	Very low	32.4	Very low	118 Å²	118	126.6 Å²	126.6	83%	0.825	79%	0.789	S	S	*	*			trans	-40.4	137.2	161.4	53.6	0	0	0	0	117.7
162	S	26.9	Very low	34.6	Very low	105 Å²	105	118.7 Å²	118.7	73%	0.734	76%	0.756	S	S	*	*			trans	-154.4	135.1	137.7	49.8	0	0	0	0	111.9
163	S	24.9	Very low	37.1	Very low	114 Å²	114	111.3 Å²	111.3	80%	0.797	73%	0.726	S	S	*	*			trans	26.7	107.2	158.3	56.7	0	0	0	0	120.2
164	T	27.7	Very low	39.6	Very low	146 Å²	146	113.5 Å²	113.5	90%	0.896	73%	0.727	S	S	*	*			trans	-130.5	107.2	156.1	41.9	0	0	0	0	112.7
165	S	26	Very low	42.2	Very low	102 Å²	102	108.2 Å²	108.2	71%	0.713	69%	0.688	S	S	*	*			trans	-78.1	117	165.5	51.8	0	0	0	0	111.3
166	S	26.7	Very low	44.5	Very low	119 Å²	119	101.1 Å²	101.1	83%	0.832	65%	0.645	S	S	*	*	S	Bend	trans	43.6	83.8	147.1	63.5	0	0	0	0	119.6
167	S	30.1	Very low	46.2	Very low	100 Å²	100	100.8 Å²	100.8	70%	0.699	63%	0.629	S	S	*	*			trans	-166.3	90.1	161.6	58.7	0	0	0	0	115.2
168	D	37.5	Very low	47.5	Very low	170 Å²	170	98.2 Å²	98.2	91%	0.909	60%	0.602	S	S	*	*			trans	-110.3	14.5	-175.4	-81.3	-22.9	0	0	0	116.3
169	D	46	Very low	48.7	Very low	61 Å²	61	94.1 Å²	94.1	33%	0.326	59%	0.586	S	S	.	*	S	Bend	trans	-106.8	-1.4	-170.3	-114.3	-37.6	0	0	0	116.4	K95 R98	K95-D169 PolarHBondContact NZ-O 2.81Å; K95-D169 VanDerWaalsContact NZ-O 3.15Å; R98-D169 IonicContact CZ-OD1 2.81Å; R98-D169 IonicContact CZ-OD2 2.93Å; R98-D169 VanDerWaalsContact NH1-CG 3.27Å; R98-D169 IonicContact NH1-OD1 3.56Å; R98-D169 PolarHBondContact NH1-OD1 2.71Å; R98-D169 IonicContact NH1-OD2 3.76Å; R98-D169 PolarHBondContact NH1-OD2 3Å; R98-D169 VanDerWaalsContact NH1-OD2 3.12Å
170	N	47.3	Very low	49.7	Very low	131 Å²	131	93.7 Å²	93.7	70%	0.701	58%	0.577	S	S	*	*			trans	-97.6	-35	-160.1	-84.5	-15.6	0	0	0	118.3	L172	N170-L172 PolarHBondContact O-N 3.49Å
171	D	63.2	Low	51.1	Low	163 Å²	163	89.2 Å²	89.2	87%	0.872	55%	0.545	S	S	*	.			trans	-97	80.7	-164.4	-67	-30.7	0	0	0	115.4
172	L	77.2	Confident	52.1	Low	35 Å²	35	87.8 Å²	87.8	18%	0.183	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-99.6	135	149.1	-77.8	177.2	0	0	0	108.1	I91 N170 Y202 A205 V206 Y212	I91-L172 HydrophobicContact CG2-CD1 3.92Å; N170-L172 PolarHBondContact O-N 3.49Å; L172-Y202 HydrophobicContact CD1-CE2 4.49Å; L172-A205 HydrophobicContact CD2-CB 3.9Å; L172-V206 HydrophobicContact CD1-CG2 4.4Å; L172-V206 HydrophobicContact CD2-CG2 3.96Å; L172-Y212 HydrophobicContact CD1-CD2 3.98Å; L172-Y212 HydrophobicContact CD1-CE2 3.86Å; L172-Y212 HydrophobicContact CD2-CD2 4.19Å; L172-Y212 HydrophobicContact CD2-CE2 4.36Å; L172-Y212 HydrophobicContact CG-CD2 4.33Å; L172-Y212 HydrophobicContact CG-CE2 4.08Å
173	P	82.8	Confident	53.3	Low	46 Å²	46	90.9 Å²	90.9	30%	0.299	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-61.7	152.6	176.7	29	-36.2	0	0	0	110.3	F175 Y202 A205	P173-F175 PolarHBondContact O-N 2.99Å; P173-Y202 HydrophobicContact CG-CD2 4.33Å; P173-Y202 WeakPolarHBondContact O-CD2 3.29Å; P173-A205 VanDerWaalsContact CD-CB 3.41Å; P173-A205 HydrophobicContact CG-CB 3.95Å
174	P	80.8	Confident	54.5	Low	119 Å²	119	90.2 Å²	90.2	77%	0.773	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-56.2	125.7	-178.5	-25.6	34.4	0	0	0	111.6
175	F	83.3	Confident	55.4	Low	14 Å²	14	95.4 Å²	95.4	6%	0.061	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-61.1	138.3	170.6	-172.2	-90.1	0	0	0	108.9	F81 F84 F85 H88 P173 V177 L199 Y202	F81-F175 HydrophobicContact CE2-CE1 4.46Å; F81-F175 AromaticContact CZ-CE1 3.96Å; F81-F175 HydrophobicContact CZ-CE1 3.96Å; F81-F175 HydrophobicContact CZ-CZ 4.42Å; F84-F175 HydrophobicContact CB-CE2 3.99Å; F84-F175 HydrophobicContact CB-CZ 3.95Å; F85-F175 HydrophobicContact CB-CE1 4.21Å; F85-F175 HydrophobicContact CB-CZ 4.1Å; F85-F175 HydrophobicContact CD2-CD1 4.41Å; F85-F175 AromaticContact CD2-CE1 3.89Å; F85-F175 HydrophobicContact CD2-CE1 3.89Å; H88-F175 HydrophobicContact CB-CD2 3.64Å; H88-F175 HydrophobicContact CB-CE2 3.83Å; H88-F175 HydrophobicContact CB-CG 4.07Å; H88-F175 HydrophobicContact CB-CZ 4.41Å; H88-F175 AromaticContact CD2-CG 3.87Å; H88-F175 VanDerWaalsContact CE1-CB 3.48Å; H88-F175 WeakPolarHBondContact CE1-CB 3.4Å; H88-F175 AromaticContact CG-CD2 3.66Å; H88-F175 AromaticContact CG-CG 3.66Å; H88-F175 AromaticContact ND1-CD2 3.84Å; H88-F175 AromaticContact ND1-CG 3.86Å; P173-F175 PolarHBondContact O-N 2.99Å; F175-V177 VanDerWaalsContact C-N 3.31Å; F175-V177 HydrophobicContact CB-CG2 4.43Å; F175-V177 HydrophobicContact CD1-CG2 3.82Å; F175-V177 PolarHBondContact O-N 3.03Å; F175-L199 HydrophobicContact CE2-CD2 4.09Å; F175-L199 HydrophobicContact CZ-CD2 4.15Å; F175-Y202 HydrophobicContact CB-CD2 4.39Å; F175-Y202 HydrophobicContact CB-CE2 4.29Å; F175-Y202 AromaticContact CD2-CD1 3.74Å; F175-Y202 HydrophobicContact CD2-CD1 3.74Å; F175-Y202 HydrophobicContact CD2-CD2 4.23Å; F175-Y202 AromaticContact CD2-CE1 3.66Å; F175-Y202 HydrophobicContact CD2-CE1 3.66Å; F175-Y202 HydrophobicContact CD2-CE2 4.18Å; F175-Y202 HydrophobicContact CD2-CG 4.05Å; F175-Y202 AromaticContact CD2-CZ 3.92Å; F175-Y202 HydrophobicContact CE2-CD1 4.11Å; F175-Y202 HydrophobicContact CE2-CE1 4.09Å
176	P	77.1	Confident	56.6	Low	5 Å²	5	92.3 Å²	92.3	3%	0.032	50%	0.495	C	S	.	.			trans	-69	86.9	178.4	26.8	-33.7	0	0	0	110.7	F81 I181 K198 L199	F81-P176 HydrophobicContact CE2-CG 4.35Å; F81-P176 VanDerWaalsContact CZ-O 3.26Å; F81-P176 WeakPolarHBondContact CZ-O 3.49Å; P176-I181 HydrophobicContact CB-CD1 4.13Å; P176-I181 HydrophobicContact CB-CG1 4.42Å; P176-K198 HydrophobicContact CB-CB 4.01Å; P176-K198 HydrophobicContact CB-CD 4.24Å; P176-K198 HydrophobicContact CG-CB 4.13Å; P176-L199 HydrophobicContact CG-CD2 3.58Å; P176-L199 HydrophobicContact CG-CG 3.95Å
177	V	66.4	Low	58	Low	63 Å²	63	93.6 Å²	93.6	38%	0.382	49%	0.488	S	S	.	.			trans	-92.8	138.6	175.6	-174.6	0	0	0	0	110	F175 N180	F175-V177 VanDerWaalsContact C-N 3.31Å; F175-V177 HydrophobicContact CB-CG2 4.43Å; F175-V177 HydrophobicContact CD1-CG2 3.82Å; F175-V177 PolarHBondContact O-N 3.03Å; V177-N180 WeakPolarHBondContact O-CB 3.46Å; V177-N180 PolarHBondContact O-N 3.32Å
178	W	56.2	Low	59.1	Low	60 Å²	60	92.3 Å²	92.3	23%	0.227	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	134.2	170.7	-79.9	80.9	0	0	0	110.6	L56 I181 F182	L56-W178 HydrophobicContact CB-CH2 4.18Å; L56-W178 HydrophobicContact CD1-CE3 3.85Å; L56-W178 HydrophobicContact CD1-CH2 3.72Å; L56-W178 HydrophobicContact CD1-CZ3 3.26Å; L56-W178 HydrophobicContact CG-CE3 4.13Å; L56-W178 HydrophobicContact CG-CH2 3.55Å; L56-W178 HydrophobicContact CG-CZ2 4.13Å; L56-W178 HydrophobicContact CG-CZ3 3.59Å; W178-I181 HydrophobicContact CG-CD1 4.41Å; W178-F182 HydrophobicContact CD2-CD2 4.4Å; W178-F182 HydrophobicContact CD2-CE2 4.26Å; W178-F182 AromaticContact CE2-CE2 4Å; W178-F182 AromaticContact CE3-CD2 3.74Å; W178-F182 HydrophobicContact CE3-CD2 3.74Å; W178-F182 AromaticContact CE3-CE2 3.86Å; W178-F182 HydrophobicContact CE3-CE2 3.86Å; W178-F182 AromaticContact CH2-CD2 3.63Å; W178-F182 HydrophobicContact CH2-CD2 3.63Å; W178-F182 HydrophobicContact CH2-CE1 4.07Å; W178-F182 AromaticContact CH2-CE2 2.94Å; W178-F182 HydrophobicContact CH2-CE2 2.94Å; W178-F182 HydrophobicContact CH2-CG 4.45Å; W178-F182 AromaticContact CH2-CZ 3.18Å; W178-F182 HydrophobicContact CH2-CZ 3.18Å; W178-F182 HydrophobicContact CZ2-CD2 4.25Å; W178-F182 AromaticContact CZ2-CE2 3.38Å; W178-F182 HydrophobicContact CZ2-CE2 3.38Å; W178-F182 AromaticContact CZ2-CZ 3.83Å; W178-F182 HydrophobicContact CZ2-CZ 3.83Å; W178-F182 HydrophobicContact CZ3-CD1 4.46Å; W178-F182 AromaticContact CZ3-CD2 3.3Å; W178-F182 HydrophobicContact CZ3-CD2 3.3Å; W178-F182 HydrophobicContact CZ3-CE1 4.32Å; W178-F182 AromaticContact CZ3-CE2 3.18Å; W178-F182 HydrophobicContact CZ3-CE2 3.18Å; W178-F182 AromaticContact CZ3-CG 3.99Å; W178-F182 HydrophobicContact CZ3-CG 3.99Å; W178-F182 AromaticContact CZ3-CZ 3.71Å; W178-F182 HydrophobicContact CZ3-CZ 3.71Å
179	P	54.2	Low	60.1	Low	83 Å²	83	89.6 Å²	89.6	54%	0.539	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	cis	-101.2	9.6	16.2	38	-34.1	0	0	0	115.5	I181 F182	P179-I181 PolarHBondContact O-N 2.96Å; P179-F182 PolarHBondContact O-N 3.13Å
180	N	53.7	Low	60.9	Low	107 Å²	107	91.4 Å²	91.4	57%	0.572	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	11.8	-171.2	-58.3	-9	0	0	0	115.9	V177	V177-N180 WeakPolarHBondContact O-CB 3.46Å; V177-N180 PolarHBondContact O-N 3.32Å
181	I	56.5	Low	61.7	Low	13 Å²	13	85.9 Å²	85.9	7%	0.067	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-20.8	179.1	-61	155.3	0	0	0	110.4	P176 W178 P179 T191 V195	P176-I181 HydrophobicContact CB-CD1 4.13Å; P176-I181 HydrophobicContact CB-CG1 4.42Å; W178-I181 HydrophobicContact CG-CD1 4.41Å; P179-I181 PolarHBondContact O-N 2.96Å; I181-T191 HydrophobicContact CG2-CG2 3.49Å; I181-T191 VanDerWaalsContact CG2-CG2 3.49Å; I181-V195 HydrophobicContact CD1-CG2 3.91Å; I181-V195 HydrophobicContact CG1-CG2 4.2Å; I181-V195 HydrophobicContact CG2-CG2 3.55Å
182	F	50.8	Low	61.7	Low	88 Å²	88	80.5 Å²	80.5	39%	0.386	41%	0.408	S	S	.	.			trans	-111.7	22.7	-168.8	-76.5	-97.8	0	0	0	114.5	W178 P179 D184 T191	W178-F182 HydrophobicContact CD2-CD2 4.4Å; W178-F182 HydrophobicContact CD2-CE2 4.26Å; W178-F182 AromaticContact CE2-CE2 4Å; W178-F182 AromaticContact CE3-CD2 3.74Å; W178-F182 HydrophobicContact CE3-CD2 3.74Å; W178-F182 AromaticContact CE3-CE2 3.86Å; W178-F182 HydrophobicContact CE3-CE2 3.86Å; W178-F182 AromaticContact CH2-CD2 3.63Å; W178-F182 HydrophobicContact CH2-CD2 3.63Å; W178-F182 HydrophobicContact CH2-CE1 4.07Å; W178-F182 AromaticContact CH2-CE2 2.94Å; W178-F182 HydrophobicContact CH2-CE2 2.94Å; W178-F182 HydrophobicContact CH2-CG 4.45Å; W178-F182 AromaticContact CH2-CZ 3.18Å; W178-F182 HydrophobicContact CH2-CZ 3.18Å; W178-F182 HydrophobicContact CZ2-CD2 4.25Å; W178-F182 AromaticContact CZ2-CE2 3.38Å; W178-F182 HydrophobicContact CZ2-CE2 3.38Å; W178-F182 AromaticContact CZ2-CZ 3.83Å; W178-F182 HydrophobicContact CZ2-CZ 3.83Å; W178-F182 HydrophobicContact CZ3-CD1 4.46Å; W178-F182 AromaticContact CZ3-CD2 3.3Å; W178-F182 HydrophobicContact CZ3-CD2 3.3Å; W178-F182 HydrophobicContact CZ3-CE1 4.32Å; W178-F182 AromaticContact CZ3-CE2 3.18Å; W178-F182 HydrophobicContact CZ3-CE2 3.18Å; W178-F182 AromaticContact CZ3-CG 3.99Å; W178-F182 HydrophobicContact CZ3-CG 3.99Å; W178-F182 AromaticContact CZ3-CZ 3.71Å; W178-F182 HydrophobicContact CZ3-CZ 3.71Å; P179-F182 PolarHBondContact O-N 3.13Å; F182-D184 PolarHBondContact O-N 3.35Å; F182-T191 HydrophobicContact CD2-CG2 4.38Å; F182-T191 HydrophobicContact CE1-CG2 3.95Å; F182-T191 HydrophobicContact CE2-CG2 3.69Å; F182-T191 HydrophobicContact CZ-CG2 3.48Å; F182-T191 VanDerWaalsContact CZ-CG2 3.48Å
183	H	51.4	Low	61.5	Low	170 Å²	170	82.8 Å²	82.8	79%	0.787	42%	0.42	S	S	*	.	S	Bend	trans	-75	-9.3	173.9	-88.9	-71.7	0	0	0	114.1
184	D	49.7	Very low	61.2	Low	100 Å²	100	82.5 Å²	82.5	54%	0.535	42%	0.416	S	S	.	.	S	Bend	trans	-116.8	141.7	175.2	-175.7	26.2	0	0	0	110.4	F182 S186	F182-D184 PolarHBondContact O-N 3.35Å; D184-S186 VanDerWaalsContact CG-OG 3.23Å; D184-S186 PolarHBondContact O-N 3.25Å; D184-S186 WeakPolarHBondContact OD2-CB 3.46Å; D184-S186 PolarHBondContact OD2-OG 3.16Å
185	R	46.8	Very low	61.1	Low	255 Å²	255	77 Å²	77	96%	0.962	38%	0.38	S	S	*	.			trans	-87.1	30.2	-173.4	-67.2	-171.8	178.3	-170.8	1.7	112.8
186	S	50.8	Low	61	Low	37 Å²	37	78 Å²	78	26%	0.259	39%	0.385	S	S	.	.			trans	-87.3	159.6	-172.3	37.7	0	0	0	0	112.9	D184 F190	D184-S186 VanDerWaalsContact CG-OG 3.23Å; D184-S186 PolarHBondContact O-N 3.25Å; D184-S186 WeakPolarHBondContact OD2-CB 3.46Å; D184-S186 PolarHBondContact OD2-OG 3.16Å; S186-F190 VanDerWaalsContact CB-CD1 3.43Å; S186-F190 WeakPolarHBondContact OG-CD1 3.17Å
187	E	56.1	Low	61.3	Low	146 Å²	146	83.9 Å²	83.9	68%	0.682	41%	0.412	S	S	*	.			trans	-57.8	153.2	-166.7	-75.4	-145	155.3	0	0	115.1	L189 F190 T191	E187-L189 PolarHBondContact O-N 3.42Å; E187-F190 WeakPolarHBondContact O-CA 3.49Å; E187-F190 VanDerWaalsContact O-CB 3.31Å; E187-F190 WeakPolarHBondContact O-CB 3.31Å; E187-F190 PolarHBondContact O-N 2.93Å; E187-T191 PolarHBondContact O-N 2.64Å; E187-T191 PolarHBondContact O-OG1 3.47Å
188	P	54	Low	62.3	Low	73 Å²	73	85 Å²	85	47%	0.474	41%	0.412	S	S	.	.	H	α-helix	trans	-53.2	-35	179.3	-26.3	34.2	0	0	0	114.3	Y55 M192	Y55-P188 HydrophobicContact CE1-CG 4.4Å; P188-M192 WeakPolarHBondContact O-CG 3.41Å; P188-M192 PolarHBondContact O-N 3.13Å; P188-M192 VanDerWaalsContact O-N 3.07Å
189	L	57.8	Low	63.8	Low	112 Å²	112	82.2 Å²	82.2	59%	0.586	40%	0.401	S	S	*	.	H	α-helix	trans	-63.9	-42.8	176.1	-130.6	88.2	0	0	0	111.6	E187 M192 L193	E187-L189 PolarHBondContact O-N 3.42Å; L189-M192 PolarHBondContact O-N 2.95Å; L189-L193 WeakPolarHBondContact O-CG 3.39Å; L189-L193 PolarHBondContact O-N 2.95Å; L189-L193 VanDerWaalsContact O-N 3.07Å
190	F	62.6	Low	65.5	Low	100 Å²	100	80.2 Å²	80.2	44%	0.439	39%	0.386	S	S	.	.	H	α-helix	trans	-67.6	-41.7	179.2	-171.6	-105.1	0	0	0	111.1	S186 E187 M192 L193 I194	S186-F190 VanDerWaalsContact CB-CD1 3.43Å; S186-F190 WeakPolarHBondContact OG-CD1 3.17Å; E187-F190 WeakPolarHBondContact O-CA 3.49Å; E187-F190 VanDerWaalsContact O-CB 3.31Å; E187-F190 WeakPolarHBondContact O-CB 3.31Å; E187-F190 PolarHBondContact O-N 2.93Å; F190-M192 VanDerWaalsContact C-N 3.33Å; F190-M192 PolarHBondContact O-N 3.24Å; F190-L193 PolarHBondContact O-N 2.65Å; F190-I194 HydrophobicContact CD1-CD1 3.61Å; F190-I194 HydrophobicContact CD1-CG1 4.47Å; F190-I194 HydrophobicContact CE1-CD1 3.46Å; F190-I194 VanDerWaalsContact CE1-CD1 3.46Å; F190-I194 HydrophobicContact CE1-CG1 4.39Å; F190-I194 HydrophobicContact CG-CD1 4.47Å; F190-I194 HydrophobicContact CZ-CD1 4.15Å; F190-I194 WeakPolarHBondContact O-CG1 3.3Å; F190-I194 PolarHBondContact O-N 2.93Å
191	T	63.6	Low	67.2	Low	14 Å²	14	78.3 Å²	78.3	9%	0.086	38%	0.381	C	S	.	.	H	α-helix	trans	-60.4	-41.7	173.7	-34.4	0	0	0	0	112.3	I181 F182 E187 I194 V195	I181-T191 HydrophobicContact CG2-CG2 3.49Å; I181-T191 VanDerWaalsContact CG2-CG2 3.49Å; F182-T191 HydrophobicContact CD2-CG2 4.38Å; F182-T191 HydrophobicContact CE1-CG2 3.95Å; F182-T191 HydrophobicContact CE2-CG2 3.69Å; F182-T191 HydrophobicContact CZ-CG2 3.48Å; F182-T191 VanDerWaalsContact CZ-CG2 3.48Å; E187-T191 PolarHBondContact O-N 2.64Å; E187-T191 PolarHBondContact O-OG1 3.47Å; T191-I194 PolarHBondContact O-N 3.13Å; T191-V195 WeakPolarHBondContact O-CG2 3.21Å; T191-V195 PolarHBondContact O-N 3.32Å; T191-V195 VanDerWaalsContact O-N 3.07Å
192	M	64.9	Low	68.9	Low	50 Å²	50	77.8 Å²	77.8	25%	0.246	38%	0.379	C	S	.	.	H	α-helix	trans	-65	-38.3	176.7	-73.8	-179.5	69.8	0	0	112.6	A37 P188 L189 F190 V195 Q196	A37-M192 HydrophobicContact CB-CE 3.82Å; P188-M192 WeakPolarHBondContact O-CG 3.41Å; P188-M192 PolarHBondContact O-N 3.13Å; P188-M192 VanDerWaalsContact O-N 3.07Å; L189-M192 PolarHBondContact O-N 2.95Å; F190-M192 VanDerWaalsContact C-N 3.33Å; F190-M192 PolarHBondContact O-N 3.24Å; M192-V195 PolarHBondContact O-N 2.87Å; M192-Q196 WeakPolarHBondContact O-CB 3.35Å; M192-Q196 PolarHBondContact O-N 2.66Å
193	L	71.7	Confident	70.8	Confident	83 Å²	83	73.6 Å²	73.6	44%	0.435	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-45.5	174.6	-70.9	167.6	0	0	0	111.6	L189 F190 V195 Q196 E197	L189-L193 WeakPolarHBondContact O-CG 3.39Å; L189-L193 PolarHBondContact O-N 2.95Å; L189-L193 VanDerWaalsContact O-N 3.07Å; F190-L193 PolarHBondContact O-N 2.65Å; L193-V195 VanDerWaalsContact C-N 3.31Å; L193-V195 PolarHBondContact O-N 3.01Å; L193-Q196 WeakPolarHBondContact O-CB 3.45Å; L193-Q196 PolarHBondContact O-N 3.01Å; L193-Q196 VanDerWaalsContact O-N 3.11Å; L193-E197 PolarHBondContact O-N 3.04Å
194	I	76.4	Confident	72.7	Confident	41 Å²	41	67.1 Å²	67.1	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-42.3	175.4	-69.9	166.7	0	0	0	111.5	F190 T191 K198	F190-I194 HydrophobicContact CD1-CD1 3.61Å; F190-I194 HydrophobicContact CD1-CG1 4.47Å; F190-I194 HydrophobicContact CE1-CD1 3.46Å; F190-I194 VanDerWaalsContact CE1-CD1 3.46Å; F190-I194 HydrophobicContact CE1-CG1 4.39Å; F190-I194 HydrophobicContact CG-CD1 4.47Å; F190-I194 HydrophobicContact CZ-CD1 4.15Å; F190-I194 WeakPolarHBondContact O-CG1 3.3Å; F190-I194 PolarHBondContact O-N 2.93Å; T191-I194 PolarHBondContact O-N 3.13Å; I194-K198 HydrophobicContact CG2-CD 3.99Å; I194-K198 HydrophobicContact CG2-CG 4.48Å; I194-K198 WeakPolarHBondContact O-CB 3.46Å; I194-K198 WeakPolarHBondContact O-CG 3.16Å; I194-K198 PolarHBondContact O-N 3.15Å
195	V	78.9	Confident	74.7	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-66.4	-40.9	176.6	176	0	0	0	0	111	Y64 F81 I181 T191 M192 L193 K198 L199	Y64-V195 WeakPolarHBondContact OH-CG1 3.32Å; F81-V195 HydrophobicContact CD2-CG1 4.19Å; F81-V195 HydrophobicContact CE2-CG1 4.14Å; I181-V195 HydrophobicContact CD1-CG2 3.91Å; I181-V195 HydrophobicContact CG1-CG2 4.2Å; I181-V195 HydrophobicContact CG2-CG2 3.55Å; T191-V195 WeakPolarHBondContact O-CG2 3.21Å; T191-V195 PolarHBondContact O-N 3.32Å; T191-V195 VanDerWaalsContact O-N 3.07Å; M192-V195 PolarHBondContact O-N 2.87Å; L193-V195 VanDerWaalsContact C-N 3.31Å; L193-V195 PolarHBondContact O-N 3.01Å; V195-K198 PolarHBondContact O-N 2.85Å; V195-L199 HydrophobicContact CG1-CD1 3.93Å; V195-L199 HydrophobicContact CG1-CG 4.2Å; V195-L199 WeakPolarHBondContact O-CB 3.21Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.19Å; V195-L199 PolarHBondContact O-N 2.75Å
196	Q	81.2	Confident	76.8	Confident	36 Å²	36	51.4 Å²	51.4	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-47.4	176	-176.3	-173.5	-25.7	0	0	111.4	V34 Y64 M192 L193 L199 N200	V34-Q196 HydrophobicContact CB-CG 4.47Å; V34-Q196 HydrophobicContact CG1-CG 4.16Å; V34-Q196 WeakPolarHBondContact O-CG 3.38Å; V34-Q196 PolarHBondContact O-NE2 2.98Å; Y64-Q196 HydrophobicContact CE1-CB 4.38Å; M192-Q196 WeakPolarHBondContact O-CB 3.35Å; M192-Q196 PolarHBondContact O-N 2.66Å; L193-Q196 WeakPolarHBondContact O-CB 3.45Å; L193-Q196 PolarHBondContact O-N 3.01Å; L193-Q196 VanDerWaalsContact O-N 3.11Å; Q196-L199 PolarHBondContact O-N 2.75Å; Q196-N200 VanDerWaalsContact O-CB 3.3Å; Q196-N200 WeakPolarHBondContact O-CB 3.47Å; Q196-N200 PolarHBondContact O-N 3.44Å
197	E	84.1	Confident	78.7	Confident	129 Å²	129	49.7 Å²	49.7	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-63.3	-45.9	176.8	-71.9	179.9	169.2	0	0	112.3	L193 L199 N200 S201	L193-E197 PolarHBondContact O-N 3.04Å; E197-L199 PolarHBondContact O-N 3.42Å; E197-N200 WeakPolarHBondContact O-CB 3.46Å; E197-N200 PolarHBondContact O-N 3.05Å; E197-N200 VanDerWaalsContact O-N 3.15Å; E197-S201 PolarHBondContact O-N 3.17Å; E197-S201 PolarHBondContact O-OG 2.98Å
198	K	86.3	Confident	80.1	Confident	87 Å²	87	50 Å²	50	38%	0.378	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-41.8	176.7	-74.1	178.3	178.6	178	0	112	P176 I194 V195 N200 Y202	P176-K198 HydrophobicContact CB-CB 4.01Å; P176-K198 HydrophobicContact CB-CD 4.24Å; P176-K198 HydrophobicContact CG-CB 4.13Å; I194-K198 HydrophobicContact CG2-CD 3.99Å; I194-K198 HydrophobicContact CG2-CG 4.48Å; I194-K198 WeakPolarHBondContact O-CB 3.46Å; I194-K198 WeakPolarHBondContact O-CG 3.16Å; I194-K198 PolarHBondContact O-N 3.15Å; V195-K198 PolarHBondContact O-N 2.85Å; K198-N200 VanDerWaalsContact C-N 3.34Å; K198-Y202 VanDerWaalsContact O-CB 3.24Å; K198-Y202 WeakPolarHBondContact O-CB 3.32Å; K198-Y202 PolarHBondContact O-N 2.71Å
199	L	88.9	Confident	81.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-36.6	173.8	-72	177.1	0	0	0	112.1	Y64 F81 F84 F175 P176 V195 Q196 E197 L203	Y64-L199 HydrophobicContact CD1-CD1 4.44Å; Y64-L199 HydrophobicContact CD2-CD1 4.2Å; Y64-L199 HydrophobicContact CE1-CD1 4.11Å; Y64-L199 HydrophobicContact CE2-CD1 3.87Å; Y64-L199 HydrophobicContact CG-CD1 4.48Å; F81-L199 HydrophobicContact CD2-CD1 4.24Å; F84-L199 HydrophobicContact CB-CD2 4.01Å; F84-L199 HydrophobicContact CD1-CD2 3.82Å; F84-L199 HydrophobicContact CD2-CD1 4.27Å; F84-L199 HydrophobicContact CE1-CB 4.24Å; F84-L199 HydrophobicContact CE1-CD2 4.34Å; F84-L199 HydrophobicContact CE2-CD1 4.23Å; F84-L199 HydrophobicContact CG-CD1 4.44Å; F84-L199 HydrophobicContact CG-CD2 3.91Å; F84-L199 HydrophobicContact CZ-CD1 4.34Å; F175-L199 HydrophobicContact CE2-CD2 4.09Å; F175-L199 HydrophobicContact CZ-CD2 4.15Å; P176-L199 HydrophobicContact CG-CD2 3.58Å; P176-L199 HydrophobicContact CG-CG 3.95Å; V195-L199 HydrophobicContact CG1-CD1 3.93Å; V195-L199 HydrophobicContact CG1-CG 4.2Å; V195-L199 WeakPolarHBondContact O-CB 3.21Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.19Å; V195-L199 PolarHBondContact O-N 2.75Å; Q196-L199 PolarHBondContact O-N 2.75Å; E197-L199 PolarHBondContact O-N 3.42Å; L199-L203 WeakPolarHBondContact O-CB 3.31Å; L199-L203 PolarHBondContact O-N 3.23Å
200	N	90.2	Very high	82.9	Confident	41 Å²	41	48.4 Å²	48.4	22%	0.219	25%	0.247	C	C	.	.	H	α-helix	trans	-64.2	-49.5	176.9	-171.3	79.2	0	0	0	112	K33 V34 Q196 E197 K198 L203 N204	K33-N200 VanDerWaalsContact CA-OD1 3.31Å; K33-N200 WeakPolarHBondContact CA-OD1 3.49Å; V34-N200 HydrophobicContact CB-CB 4.1Å; V34-N200 HydrophobicContact CG2-CB 4.08Å; V34-N200 PolarHBondContact N-OD1 3.15Å; Q196-N200 VanDerWaalsContact O-CB 3.3Å; Q196-N200 WeakPolarHBondContact O-CB 3.47Å; Q196-N200 PolarHBondContact O-N 3.44Å; E197-N200 WeakPolarHBondContact O-CB 3.46Å; E197-N200 PolarHBondContact O-N 3.05Å; E197-N200 VanDerWaalsContact O-N 3.15Å; K198-N200 VanDerWaalsContact C-N 3.34Å; N200-L203 PolarHBondContact O-N 3.21Å; N200-N204 PolarHBondContact ND2-ND2 3.43Å; N200-N204 WeakPolarHBondContact O-CB 3.44Å; N200-N204 PolarHBondContact O-N 3.06Å; N200-N204 PolarHBondContact O-ND2 3.43Å
201	S	88.8	Confident	83.9	Confident	68 Å²	68	46.4 Å²	46.4	48%	0.476	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-40.3	176.8	-61.1	0	0	0	0	111.7	E197 A205	E197-S201 PolarHBondContact O-N 3.17Å; E197-S201 PolarHBondContact O-OG 2.98Å; S201-A205 WeakPolarHBondContact O-CB 3.34Å; S201-A205 PolarHBondContact O-N 2.83Å; S201-A205 VanDerWaalsContact O-N 3.11Å
202	Y	91.7	Very high	85.2	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-49.5	175.5	-177.9	-97.8	0	0	0	112.7	H88 L172 P173 F175 K198 A205 V206	H88-Y202 AromaticContact ND1-CE2 3.81Å; H88-Y202 AromaticContact ND1-CZ 3.46Å; H88-Y202 PolarHBondContact ND1-OH 3.23Å; L172-Y202 HydrophobicContact CD1-CE2 4.49Å; P173-Y202 HydrophobicContact CG-CD2 4.33Å; P173-Y202 WeakPolarHBondContact O-CD2 3.29Å; F175-Y202 HydrophobicContact CB-CD2 4.39Å; F175-Y202 HydrophobicContact CB-CE2 4.29Å; F175-Y202 AromaticContact CD2-CD1 3.74Å; F175-Y202 HydrophobicContact CD2-CD1 3.74Å; F175-Y202 HydrophobicContact CD2-CD2 4.23Å; F175-Y202 AromaticContact CD2-CE1 3.66Å; F175-Y202 HydrophobicContact CD2-CE1 3.66Å; F175-Y202 HydrophobicContact CD2-CE2 4.18Å; F175-Y202 HydrophobicContact CD2-CG 4.05Å; F175-Y202 AromaticContact CD2-CZ 3.92Å; F175-Y202 HydrophobicContact CE2-CD1 4.11Å; F175-Y202 HydrophobicContact CE2-CE1 4.09Å; K198-Y202 VanDerWaalsContact O-CB 3.24Å; K198-Y202 WeakPolarHBondContact O-CB 3.32Å; K198-Y202 PolarHBondContact O-N 2.71Å; Y202-A205 PolarHBondContact O-N 2.86Å; Y202-V206 HydrophobicContact CD1-CG2 4.26Å; Y202-V206 HydrophobicContact CE1-CG2 3.72Å; Y202-V206 HydrophobicContact CE2-CG2 4.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.09Å; Y202-V206 PolarHBondContact O-N 3.21Å
203	L	91.7	Very high	86.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.1	-40.3	-178.1	-173.2	62.2	0	0	0	111.8	C32 V34 I66 F84 L87 L199 N200 A205 V206 L207 F221	C32-L203 HydrophobicContact CB-CD2 4.41Å; V34-L203 HydrophobicContact CG2-CD2 4.43Å; I66-L203 HydrophobicContact CD1-CD2 3.95Å; I66-L203 HydrophobicContact CG2-CD2 3.79Å; F84-L203 HydrophobicContact CE1-CD2 4.22Å; L87-L203 HydrophobicContact CD2-CD1 4.33Å; L199-L203 WeakPolarHBondContact O-CB 3.31Å; L199-L203 PolarHBondContact O-N 3.23Å; N200-L203 PolarHBondContact O-N 3.21Å; L203-A205 PolarHBondContact O-N 3.26Å; L203-V206 PolarHBondContact O-N 3.02Å; L203-L207 HydrophobicContact CD1-CD1 4.44Å; L203-L207 HydrophobicContact CD1-CG 4.32Å; L203-L207 HydrophobicContact CG-CD1 4.13Å; L203-L207 HydrophobicContact CG-CG 4.39Å; L203-L207 WeakPolarHBondContact O-CG 3.19Å; L203-L207 PolarHBondContact O-N 3.19Å; L203-F221 HydrophobicContact CD1-CD1 4.27Å; L203-F221 HydrophobicContact CD1-CE1 3.9Å; L203-F221 HydrophobicContact CD2-CE1 4.12Å
204	N	91.1	Very high	87	Confident	33 Å²	33	44.7 Å²	44.7	18%	0.176	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-42.9	175	-81.4	-67	0	0	0	112	C32 N200 V206 L207 Q208	C32-N204 PolarHBondContact N-OD1 3.13Å; C32-N204 VanDerWaalsContact N-OD1 3.13Å; C32-N204 PolarHBondContact O-ND2 3.33Å; C32-N204 PolarHBondContact O-OD1 2.66Å; C32-N204 PolarHBondContact SG-ND2 3.28Å; C32-N204 VanDerWaalsContact SG-ND2 3.39Å; C32-N204 PolarHBondContact SG-OD1 2.84Å; N200-N204 PolarHBondContact ND2-ND2 3.43Å; N200-N204 WeakPolarHBondContact O-CB 3.44Å; N200-N204 PolarHBondContact O-N 3.06Å; N200-N204 PolarHBondContact O-ND2 3.43Å; N204-V206 PolarHBondContact O-N 3.24Å; N204-L207 PolarHBondContact O-N 3.17Å; N204-Q208 WeakPolarHBondContact O-CG 3.48Å; N204-Q208 PolarHBondContact O-N 3.28Å
205	A	90.7	Very high	87.6	Confident	26 Å²	26	43.6 Å²	43.6	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-39.2	175.7	0	0	0	0	0	112.8	L172 P173 S201 Y202 L203 L207 N209	L172-A205 HydrophobicContact CD2-CB 3.9Å; P173-A205 VanDerWaalsContact CD-CB 3.41Å; P173-A205 HydrophobicContact CG-CB 3.95Å; S201-A205 WeakPolarHBondContact O-CB 3.34Å; S201-A205 PolarHBondContact O-N 2.83Å; S201-A205 VanDerWaalsContact O-N 3.11Å; Y202-A205 PolarHBondContact O-N 2.86Å; L203-A205 PolarHBondContact O-N 3.26Å; A205-L207 VanDerWaalsContact C-N 3.35Å; A205-N209 PolarHBondContact O-N 2.69Å
206	V	91.1	Very high	88	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-38.7	173.8	167.8	0	0	0	0	112	I91 L172 Y202 L203 N204 R213 T218	I91-V206 HydrophobicContact CD1-CB 4.41Å; I91-V206 HydrophobicContact CD1-CG1 3.68Å; I91-V206 HydrophobicContact CD1-CG2 3.73Å; L172-V206 HydrophobicContact CD1-CG2 4.4Å; L172-V206 HydrophobicContact CD2-CG2 3.96Å; Y202-V206 HydrophobicContact CD1-CG2 4.26Å; Y202-V206 HydrophobicContact CE1-CG2 3.72Å; Y202-V206 HydrophobicContact CE2-CG2 4.24Å; Y202-V206 WeakPolarHBondContact O-CG2 3.09Å; Y202-V206 PolarHBondContact O-N 3.21Å; L203-V206 PolarHBondContact O-N 3.02Å; N204-V206 PolarHBondContact O-N 3.24Å; V206-R213 PolarHBondContact O-N 2.88Å; V206-T218 HydrophobicContact CG1-CG2 3.99Å
207	L	90.2	Very high	88.4	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-80.6	-25.3	-178.9	-66.1	-178.3	0	0	0	113.8	L30 C32 L68 L203 N204 A205 R213 T218 I222	L30-L207 HydrophobicContact CD2-CB 4.01Å; L30-L207 HydrophobicContact CD2-CD1 4.18Å; L30-L207 HydrophobicContact CD2-CD2 4.02Å; L30-L207 HydrophobicContact CD2-CG 4.28Å; L30-L207 HydrophobicContact CG-CB 4.4Å; L30-L207 HydrophobicContact CG-CD1 4.29Å; C32-L207 HydrophobicContact CB-CD1 3.94Å; L68-L207 HydrophobicContact CD2-CD1 3.93Å; L203-L207 HydrophobicContact CD1-CD1 4.44Å; L203-L207 HydrophobicContact CD1-CG 4.32Å; L203-L207 HydrophobicContact CG-CD1 4.13Å; L203-L207 HydrophobicContact CG-CG 4.39Å; L203-L207 WeakPolarHBondContact O-CG 3.19Å; L203-L207 PolarHBondContact O-N 3.19Å; N204-L207 PolarHBondContact O-N 3.17Å; A205-L207 VanDerWaalsContact C-N 3.35Å; L207-R213 HydrophobicContact CD2-CG 4.46Å; L207-R213 WeakPolarHBondContact O-CD 3.48Å; L207-T218 HydrophobicContact CD2-CG2 3.79Å; L207-I222 HydrophobicContact CD2-CD1 4.18Å; L207-I222 HydrophobicContact CD2-CG2 4.15Å
208	Q	86.9	Confident	88.8	Confident	152 Å²	152	42 Å²	42	71%	0.71	21%	0.213	S	C	*	.	H	α-helix	trans	-74	-33.1	172	-74.4	-171.9	1.6	0	0	112.4	N204 I210	N204-Q208 WeakPolarHBondContact O-CG 3.48Å; N204-Q208 PolarHBondContact O-N 3.28Å; Q208-I210 PolarHBondContact O-N 3.12Å
209	N	86.5	Confident	89.1	Confident	51 Å²	51	38.8 Å²	38.8	27%	0.273	20%	0.199	S	C	.	.	S	Bend	trans	-74.2	113.1	175.5	-172.3	-64.7	0	0	0	111.1	A205 I211 Y212 R213	A205-N209 PolarHBondContact O-N 2.69Å; N209-I211 PolarHBondContact O-N 2.73Å; N209-I211 WeakPolarHBondContact OD1-CB 3.38Å; N209-I211 PolarHBondContact OD1-N 2.86Å; N209-Y212 HydrophobicContact CB-CD2 3.52Å; N209-Y212 HydrophobicContact CB-CE2 4.08Å; N209-Y212 HydrophobicContact CB-CG 4.26Å; N209-Y212 WeakPolarHBondContact ND2-CE2 3.4Å; N209-Y212 PolarHBondContact O-N 2.98Å; N209-Y212 PolarHBondContact OD1-N 2.91Å; N209-R213 VanDerWaalsContact O-CB 3.29Å; N209-R213 WeakPolarHBondContact O-CB 3.45Å; N209-R213 PolarHBondContact O-N 3.02Å
210	I	83.5	Confident	89.1	Confident	101 Å²	101	40.7 Å²	40.7	52%	0.518	21%	0.209	S	C	.	.	H	α-helix	trans	-59.4	-31.2	-175.5	-165.6	160.3	0	0	0	114	Q208 N214	Q208-I210 PolarHBondContact O-N 3.12Å; I210-N214 WeakPolarHBondContact O-CB 3.32Å; I210-N214 VanDerWaalsContact O-CG 3.25Å; I210-N214 PolarHBondContact O-N 3.41Å; I210-N214 PolarHBondContact O-ND2 3.41Å
211	I	84.6	Confident	89.2	Confident	58 Å²	58	39.4 Å²	39.4	30%	0.297	20%	0.201	S	C	.	.	H	α-helix	trans	-69.5	-53.5	178.3	-55.2	176.1	0	0	0	109	N209 N214 L215	N209-I211 PolarHBondContact O-N 2.73Å; N209-I211 WeakPolarHBondContact OD1-CB 3.38Å; N209-I211 PolarHBondContact OD1-N 2.86Å; I211-N214 PolarHBondContact O-N 3.11Å; I211-L215 WeakPolarHBondContact O-CG 3.39Å; I211-L215 PolarHBondContact O-N 3.16Å
212	Y	89.6	Confident	89.4	Confident	7 Å²	7	36.2 Å²	36.2	3%	0.027	18%	0.179	C	C	.	.	H	α-helix	trans	-67.9	-36.6	-179.2	-51.8	-41.4	0	0	0	112.3	I91 K95 L172 N209 N214 L215 T218	I91-Y212 HydrophobicContact CG2-CD1 3.88Å; I91-Y212 HydrophobicContact CG2-CE1 4.1Å; I91-Y212 HydrophobicContact CG2-CG 4.19Å; K95-Y212 WeakPolarHBondContact CE-OH 3.37Å; K95-Y212 HydrophobicContact CG-CE1 4.21Å; L172-Y212 HydrophobicContact CD1-CD2 3.98Å; L172-Y212 HydrophobicContact CD1-CE2 3.86Å; L172-Y212 HydrophobicContact CD2-CD2 4.19Å; L172-Y212 HydrophobicContact CD2-CE2 4.36Å; L172-Y212 HydrophobicContact CG-CD2 4.33Å; L172-Y212 HydrophobicContact CG-CE2 4.08Å; N209-Y212 HydrophobicContact CB-CD2 3.52Å; N209-Y212 HydrophobicContact CB-CE2 4.08Å; N209-Y212 HydrophobicContact CB-CG 4.26Å; N209-Y212 WeakPolarHBondContact ND2-CE2 3.4Å; N209-Y212 PolarHBondContact O-N 2.98Å; N209-Y212 PolarHBondContact OD1-N 2.91Å; Y212-N214 VanDerWaalsContact C-N 3.34Å; Y212-N214 PolarHBondContact O-N 2.86Å; Y212-L215 HydrophobicContact CD1-CD1 4.23Å; Y212-L215 WeakPolarHBondContact O-CB 3.09Å; Y212-L215 PolarHBondContact O-N 3.16Å; Y212-T218 WeakPolarHBondContact O-CB 3.39Å; Y212-T218 PolarHBondContact O-OG1 3.31Å
213	R	89	Confident	89.4	Confident	46 Å²	46	37 Å²	37	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-57.4	-43.5	174.1	-176.5	-178.2	67	-156.5	12.1	112.6	F24 L30 V206 L207 N209 L215	F24-R213 HydrophobicContact CD2-CG 4.31Å; F24-R213 HydrophobicContact CE1-CG 4.33Å; F24-R213 HydrophobicContact CE2-CG 3.58Å; F24-R213 HydrophobicContact CZ-CG 3.59Å; L30-R213 HydrophobicContact CD2-CG 4.15Å; V206-R213 PolarHBondContact O-N 2.88Å; L207-R213 HydrophobicContact CD2-CG 4.46Å; L207-R213 WeakPolarHBondContact O-CD 3.48Å; N209-R213 VanDerWaalsContact O-CB 3.29Å; N209-R213 WeakPolarHBondContact O-CB 3.45Å; N209-R213 PolarHBondContact O-N 3.02Å; R213-L215 VanDerWaalsContact C-N 3.34Å
214	N	86.6	Confident	89.4	Confident	57 Å²	57	37 Å²	37	31%	0.305	18%	0.183	S	C	.	.	H	α-helix	trans	-82.3	-9.8	-174.6	-70.5	-4.9	0	0	0	113.6	F24 I210 I211 Y212 R219	F24-N214 WeakPolarHBondContact CE2-OD1 3.43Å; I210-N214 WeakPolarHBondContact O-CB 3.32Å; I210-N214 VanDerWaalsContact O-CG 3.25Å; I210-N214 PolarHBondContact O-N 3.41Å; I210-N214 PolarHBondContact O-ND2 3.41Å; I211-N214 PolarHBondContact O-N 3.11Å; Y212-N214 VanDerWaalsContact C-N 3.34Å; Y212-N214 PolarHBondContact O-N 2.86Å; N214-R219 PolarHBondContact O-NE 3.12Å
215	L	89	Confident	89.2	Confident	19 Å²	19	35.6 Å²	35.6	10%	0.099	18%	0.176	C	C	.	.	S	Bend	trans	-55.6	139.9	172.6	-64	-178.6	0	0	0	111.1	I91 H94 I211 Y212 R213 E217 T218 R219	I91-L215 HydrophobicContact CG1-CD1 4.13Å; H94-L215 HydrophobicContact CB-CD1 4.07Å; H94-L215 VanDerWaalsContact CE1-CD2 3.46Å; H94-L215 WeakPolarHBondContact CE1-CD2 3.06Å; H94-L215 WeakPolarHBondContact ND1-CD2 3.16Å; I211-L215 WeakPolarHBondContact O-CG 3.39Å; I211-L215 PolarHBondContact O-N 3.16Å; Y212-L215 HydrophobicContact CD1-CD1 4.23Å; Y212-L215 WeakPolarHBondContact O-CB 3.09Å; Y212-L215 PolarHBondContact O-N 3.16Å; R213-L215 VanDerWaalsContact C-N 3.34Å; L215-E217 PolarHBondContact O-N 3.42Å; L215-T218 PolarHBondContact O-N 3.12Å; L215-T218 VanDerWaalsContact O-N 3.13Å; L215-R219 WeakPolarHBondContact O-CG 3.33Å; L215-R219 PolarHBondContact O-N 3.3Å
216	K	87.4	Confident	88.7	Confident	64 Å²	64	38.5 Å²	38.5	28%	0.278	18%	0.181	S	C	.	.	H	α-helix	trans	-55.8	-42.7	-179.3	-173.7	-170.4	-173.3	-61.2	0	111.3	T218 R219 D220 P283	K216-T218 VanDerWaalsContact C-N 3.34Å; K216-T218 PolarHBondContact O-N 3.49Å; K216-R219 PolarHBondContact O-N 2.99Å; K216-D220 IonicContact NZ-OD1 2.68Å; K216-D220 IonicContact NZ-OD2 3.53Å; K216-D220 PolarHBondContact NZ-OD2 3.17Å; K216-D220 WeakPolarHBondContact O-CB 3.32Å; K216-D220 PolarHBondContact O-N 3.01Å; K216-P283 WeakPolarHBondContact CE-O 3.41Å; K216-P283 PolarHBondContact NZ-O 2.73Å
217	E	89.7	Confident	88.2	Confident	69 Å²	69	40.4 Å²	40.4	32%	0.322	19%	0.189	S	C	.	.	H	α-helix	trans	-67.9	-34.3	-177.8	-59.3	98.5	139.9	0	0	112.1	L87 H90 L215 F221	L87-E217 HydrophobicContact CD1-CB 4.29Å; H90-E217 HydrophobicContact CB-CB 4.04Å; H90-E217 HydrophobicContact CB-CG 4Å; H90-E217 IonicContact CE1-OE1 3.27Å; H90-E217 IonicContact CG-OE1 3.48Å; H90-E217 WeakPolarHBondContact ND1-CG 3.34Å; H90-E217 IonicContact ND1-OE1 3.38Å; H90-E217 PolarHBondContact ND1-OE1 3.07Å; L215-E217 PolarHBondContact O-N 3.42Å; E217-F221 WeakPolarHBondContact O-CB 3.42Å; E217-F221 PolarHBondContact O-N 3.36Å
218	T	92.4	Very high	88	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68	-45.1	171.7	-49.5	0	0	0	0	110.9	V206 L207 Y212 L215 K216 F221 I222	V206-T218 HydrophobicContact CG1-CG2 3.99Å; L207-T218 HydrophobicContact CD2-CG2 3.79Å; Y212-T218 WeakPolarHBondContact O-CB 3.39Å; Y212-T218 PolarHBondContact O-OG1 3.31Å; L215-T218 PolarHBondContact O-N 3.12Å; L215-T218 VanDerWaalsContact O-N 3.13Å; K216-T218 VanDerWaalsContact C-N 3.34Å; K216-T218 PolarHBondContact O-N 3.49Å; T218-F221 WeakPolarHBondContact O-CA 2.87Å; T218-F221 WeakPolarHBondContact O-CB 3.31Å; T218-F221 PolarHBondContact O-N 3.49Å; T218-F221 VanDerWaalsContact O-N 3.13Å; T218-I222 WeakPolarHBondContact O-CG1 3.03Å; T218-I222 PolarHBondContact O-N 3.32Å
219	R	91.1	Very high	87.9	Confident	20 Å²	20	33.8 Å²	33.8	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-45.2	177.6	-67.8	-173.5	-67.1	113	-17.2	112.6	Y23 N214 L215 K216 F221 I222 E223 V224 E286	Y23-R219 PolarHBondContact OH-NH2 2.83Å; N214-R219 PolarHBondContact O-NE 3.12Å; L215-R219 WeakPolarHBondContact O-CG 3.33Å; L215-R219 PolarHBondContact O-N 3.3Å; K216-R219 PolarHBondContact O-N 2.99Å; R219-F221 VanDerWaalsContact C-N 3.31Å; R219-F221 PolarHBondContact O-N 3.42Å; R219-I222 PolarHBondContact O-N 3.4Å; R219-E223 PolarHBondContact O-N 2.91Å; R219-V224 PolarHBondContact O-N 3.34Å; R219-E286 IonicContact CZ-OE1 2.58Å; R219-E286 IonicContact NH1-OE1 3.87Å; R219-E286 PolarHBondContact NH1-OE1 3.22Å; R219-E286 IonicContact NH2-OE1 3.16Å; R219-E286 PolarHBondContact NH2-OE1 2.89Å
220	D	89.7	Confident	87.1	Confident	39 Å²	39	32.7 Å²	32.7	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-38.3	171.5	-78.4	-33.8	0	0	0	111.3	R79 K216 E223	R79-D220 PolarHBondContact NH2-O 3.01Å; K216-D220 IonicContact NZ-OD1 2.68Å; K216-D220 IonicContact NZ-OD2 3.53Å; K216-D220 PolarHBondContact NZ-OD2 3.17Å; K216-D220 WeakPolarHBondContact O-CB 3.32Å; K216-D220 PolarHBondContact O-N 3.01Å; D220-E223 PolarHBondContact O-N 3.22Å
221	F	92.1	Very high	86	Confident	14 Å²	14	31.6 Å²	31.6	6%	0.061	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-39.9	177.5	-177.1	-90	0	0	0	112.2	I66 V77 R79 D83 F84 L87 L203 E217 T218 R219	I66-F221 HydrophobicContact CD1-CE1 3.64Å; I66-F221 HydrophobicContact CD1-CZ 3.89Å; V77-F221 WeakPolarHBondContact CG1-O 3.38Å; R79-F221 HydrophobicContact CB-CE2 4.01Å; R79-F221 HydrophobicContact CB-CZ 3.96Å; R79-F221 HydrophobicContact CG-CD2 4.23Å; R79-F221 HydrophobicContact CG-CE1 4.2Å; R79-F221 HydrophobicContact CG-CE2 3.64Å; R79-F221 HydrophobicContact CG-CZ 3.62Å; R79-F221 PolarHBondContact NE-O 3.44Å; R79-F221 PolarHBondContact NH2-O 2.67Å; D83-F221 HydrophobicContact CB-CE2 4.24Å; F84-F221 HydrophobicContact CD1-CE1 4.31Å; F84-F221 HydrophobicContact CD1-CE2 4.4Å; F84-F221 AromaticContact CD1-CZ 3.58Å; F84-F221 HydrophobicContact CD1-CZ 3.58Å; F84-F221 HydrophobicContact CD2-CE2 4.43Å; F84-F221 HydrophobicContact CD2-CZ 4.04Å; F84-F221 HydrophobicContact CE1-CE1 4.21Å; F84-F221 AromaticContact CE1-CZ 3.72Å; F84-F221 HydrophobicContact CE1-CZ 3.72Å; F84-F221 HydrophobicContact CE2-CZ 4.14Å; F84-F221 HydrophobicContact CG-CE2 4.2Å; F84-F221 AromaticContact CG-CZ 3.76Å; F84-F221 HydrophobicContact CG-CZ 3.76Å; F84-F221 AromaticContact CZ-CZ 3.99Å; F84-F221 HydrophobicContact CZ-CZ 3.99Å; L87-F221 HydrophobicContact CB-CD2 4.19Å; L87-F221 HydrophobicContact CD1-CB 4.47Å; L87-F221 HydrophobicContact CD2-CB 4.14Å; L87-F221 HydrophobicContact CD2-CD1 3.8Å; L87-F221 HydrophobicContact CD2-CD2 4.11Å; L87-F221 HydrophobicContact CD2-CE1 4.18Å; L87-F221 HydrophobicContact CD2-CE2 4.47Å; L87-F221 HydrophobicContact CD2-CG 3.76Å; L203-F221 HydrophobicContact CD1-CD1 4.27Å; L203-F221 HydrophobicContact CD1-CE1 3.9Å; L203-F221 HydrophobicContact CD2-CE1 4.12Å; E217-F221 WeakPolarHBondContact O-CB 3.42Å; E217-F221 PolarHBondContact O-N 3.36Å; T218-F221 WeakPolarHBondContact O-CA 2.87Å; T218-F221 WeakPolarHBondContact O-CB 3.31Å; T218-F221 PolarHBondContact O-N 3.49Å; T218-F221 VanDerWaalsContact O-N 3.13Å; R219-F221 VanDerWaalsContact C-N 3.31Å; R219-F221 PolarHBondContact O-N 3.42Å
222	I	92.5	Very high	84.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.2	178.2	69.5	174.7	0	0	0	115	F24 L68 W75 V77 L207 T218 R219 V224	F24-I222 HydrophobicContact CE1-CD1 4.13Å; F24-I222 HydrophobicContact CZ-CD1 4.04Å; L68-I222 HydrophobicContact CD2-CB 3.89Å; L68-I222 HydrophobicContact CD2-CG2 3.75Å; W75-I222 PolarHBondContact NE1-O 2.86Å; V77-I222 WeakPolarHBondContact CG2-O 3.42Å; L207-I222 HydrophobicContact CD2-CD1 4.18Å; L207-I222 HydrophobicContact CD2-CG2 4.15Å; T218-I222 WeakPolarHBondContact O-CG1 3.03Å; T218-I222 PolarHBondContact O-N 3.32Å; R219-I222 PolarHBondContact O-N 3.4Å; I222-V224 HydrophobicContact CD1-CB 4.21Å; I222-V224 HydrophobicContact CD1-CG2 3.82Å; I222-V224 HydrophobicContact CG1-CB 4Å; I222-V224 HydrophobicContact CG1-CG2 3.76Å
223	E	92.5	Very high	83.2	Confident	20 Å²	20	29.4 Å²	29.4	9%	0.093	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	48.2	-179.8	-56.5	-179.3	179.9	0	0	112.7	V77 R79 R219 D220 K236 K238 E239	V77-E223 HydrophobicContact CG1-CG 4.1Å; V77-E223 HydrophobicContact CG2-CB 4.34Å; V77-E223 HydrophobicContact CG2-CG 4.29Å; R79-E223 IonicContact CZ-OE1 3.49Å; R79-E223 VanDerWaalsContact CZ-OE1 3.26Å; R79-E223 IonicContact NH1-OE1 2.83Å; R79-E223 PolarHBondContact NH1-OE1 3.06Å; R79-E223 IonicContact NH2-OE1 3.49Å; R79-E223 PolarHBondContact NH2-OE1 2.86Å; R219-E223 PolarHBondContact O-N 2.91Å; D220-E223 PolarHBondContact O-N 3.22Å; E223-K236 PolarHBondContact O-NZ 2.94Å; E223-K238 IonicContact OE2-NZ 2.95Å; E223-K238 PolarHBondContact OE2-NZ 2.95Å; E223-E239 HydrophobicContact CB-CB 4.33Å; E223-E239 WeakPolarHBondContact O-CB 3.42Å; E223-E239 VanDerWaalsContact OE2-O 3.06Å
224	V	90.4	Very high	82.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.			trans	-116.9	135.9	178.1	167.3	0	0	0	0	112.2	F24 W75 R219 I222 S228 F229	F24-V224 HydrophobicContact CE1-CG1 4.26Å; F24-V224 HydrophobicContact CZ-CG1 4.25Å; W75-V224 HydrophobicContact CH2-CG2 4.46Å; W75-V224 HydrophobicContact CZ2-CG2 3.75Å; R219-V224 PolarHBondContact O-N 3.34Å; I222-V224 HydrophobicContact CD1-CB 4.21Å; I222-V224 HydrophobicContact CD1-CG2 3.82Å; I222-V224 HydrophobicContact CG1-CB 4Å; I222-V224 HydrophobicContact CG1-CG2 3.76Å; V224-S228 WeakPolarHBondContact CA-OG 3.49Å; V224-F229 HydrophobicContact CB-CE2 4.49Å; V224-F229 HydrophobicContact CG1-CE2 3.73Å; V224-F229 HydrophobicContact CG1-CZ 4.43Å; V224-F229 HydrophobicContact CG2-CE2 3.86Å; V224-F229 HydrophobicContact CG2-CZ 3.73Å
225	S	87	Confident	81.8	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.021	15%	0.154	C	C	.	.			trans	-125.5	171.1	174	65	0	0	0	0	111.1	Y227 S228 E239	S225-Y227 PolarHBondContact O-N 3.36Å; S225-Y227 PolarHBondContact OG-N 3.16Å; S225-S228 PolarHBondContact N-OG 3.14Å; S225-S228 WeakPolarHBondContact O-CB 3.31Å; S225-S228 PolarHBondContact O-N 3.01Å; S225-S228 VanDerWaalsContact O-N 3.08Å; S225-S228 PolarHBondContact O-OG 2.94Å; S225-E239 PolarHBondContact OG-OE2 2.74Å
226	R	80.8	Confident	81.7	Confident	86 Å²	86	30.4 Å²	30.4	33%	0.325	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.3	168.9	-71.6	174.5	-158	-162.7	7.1	113.7	Y23 V230 E286	Y23-R226 HydrophobicContact CD1-CG 3.83Å; Y23-R226 HydrophobicContact CE1-CB 4.47Å; Y23-R226 HydrophobicContact CE1-CG 3.39Å; Y23-R226 PolarHBondContact OH-NE 2.83Å; Y23-R226 PolarHBondContact OH-NH2 3.28Å; R226-V230 WeakPolarHBondContact O-CG2 3.2Å; R226-E286 WeakPolarHBondContact CG-OE2 2.96Å; R226-E286 PolarHBondContact N-OE2 3.48Å; R226-E286 VanDerWaalsContact N-OE2 3.14Å; R226-E286 IonicContact NE-OE2 2.74Å
227	Y	81.4	Confident	81.7	Confident	41 Å²	41	29.8 Å²	29.8	16%	0.161	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.5	-176.8	-51.8	-60.6	0	0	0	113.6	S225 L233 F272 K274 A281 E286 V288	S225-Y227 PolarHBondContact O-N 3.36Å; S225-Y227 PolarHBondContact OG-N 3.16Å; Y227-L233 HydrophobicContact CD1-CD1 3.62Å; Y227-L233 HydrophobicContact CG-CD1 4.06Å; Y227-F272 HydrophobicContact CD2-CD1 4.24Å; Y227-F272 AromaticContact CD2-CE1 3.6Å; Y227-F272 HydrophobicContact CD2-CE1 3.6Å; Y227-F272 AromaticContact CD2-CE2 3.94Å; Y227-F272 HydrophobicContact CD2-CE2 3.94Å; Y227-F272 AromaticContact CD2-CZ 3.41Å; Y227-F272 HydrophobicContact CD2-CZ 3.41Å; Y227-F272 VanDerWaalsContact CD2-CZ 3.41Å; Y227-F272 HydrophobicContact CE2-CE1 4.12Å; Y227-F272 AromaticContact CE2-CZ 3.99Å; Y227-F272 HydrophobicContact CE2-CZ 3.99Å; Y227-F272 HydrophobicContact CG-CE1 4.37Å; Y227-F272 AromaticContact CG-CE2 3.87Å; Y227-F272 HydrophobicContact CG-CE2 3.87Å; Y227-F272 AromaticContact CG-CZ 3.8Å; Y227-F272 HydrophobicContact CG-CZ 3.8Å; Y227-K274 WeakPolarHBondContact O-CE 3.35Å; Y227-K274 PolarHBondContact O-NZ 3.04Å; Y227-A281 HydrophobicContact CE2-CB 4.47Å; Y227-E286 WeakPolarHBondContact CE2-O 3.37Å; Y227-E286 PolarHBondContact OH-O 2.95Å; Y227-V288 HydrophobicContact CE1-CG2 4.1Å; Y227-V288 HydrophobicContact CE2-CG2 3.73Å; Y227-V288 VanDerWaalsContact CZ-CG2 3.49Å; Y227-V288 WeakPolarHBondContact OH-CG2 3.49Å
228	S	85.5	Confident	81.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-60.3	-58.9	-174	-73.3	0	0	0	0	113.1	V224 S225 K236 E239 K274	V224-S228 WeakPolarHBondContact CA-OG 3.49Å; S225-S228 PolarHBondContact N-OG 3.14Å; S225-S228 WeakPolarHBondContact O-CB 3.31Å; S225-S228 PolarHBondContact O-N 3.01Å; S225-S228 VanDerWaalsContact O-N 3.08Å; S225-S228 PolarHBondContact O-OG 2.94Å; S228-K236 PolarHBondContact OG-NZ 2.91Å; S228-E239 VanDerWaalsContact CA-OE1 3.3Å; S228-E239 WeakPolarHBondContact CA-OE1 3.48Å; S228-E239 VanDerWaalsContact CB-OE1 3.31Å; S228-E239 WeakPolarHBondContact CB-OE1 3.31Å; S228-E239 PolarHBondContact OG-OE1 3.17Å; S228-E239 PolarHBondContact OG-OE2 3.34Å; S228-K274 PolarHBondContact O-NZ 2.8Å
229	F	84.4	Confident	81.7	Confident	14 Å²	14	28.6 Å²	28.6	6%	0.061	14%	0.142	C	C	.	.	S	Bend	trans	-108.5	12.3	-170.1	-46.1	-68	0	0	0	113.9	Y23 F24 I25 H70 H73 W75 V224 T231 K236	Y23-F229 VanDerWaalsContact O-CD2 3.32Å; Y23-F229 WeakPolarHBondContact O-CD2 3.39Å; F24-F229 HydrophobicContact CD1-CD2 4.44Å; F24-F229 AromaticContact CD1-CE2 3.85Å; F24-F229 HydrophobicContact CD1-CE2 3.85Å; F24-F229 HydrophobicContact CE1-CE2 4.11Å; I25-F229 HydrophobicContact CD1-CB 4.11Å; I25-F229 HydrophobicContact CG1-CB 3.78Å; H70-F229 HydrophobicContact CB-CE1 4.27Å; H70-F229 HydrophobicContact CB-CZ 4.35Å; H70-F229 AromaticContact CD2-CD1 3.97Å; H70-F229 AromaticContact CD2-CD2 3.77Å; H70-F229 AromaticContact CD2-CE1 3.9Å; H70-F229 AromaticContact CD2-CE2 3.71Å; H70-F229 AromaticContact CD2-CG 3.9Å; H70-F229 AromaticContact CD2-CZ 3.77Å; H73-F229 HydrophobicContact CB-CD1 4.23Å; H73-F229 HydrophobicContact CB-CE1 4.19Å; H73-F229 AromaticContact CD2-CD1 3.61Å; W75-F229 HydrophobicContact CE3-CE1 4.35Å; W75-F229 AromaticContact CH2-CE1 3.87Å; W75-F229 HydrophobicContact CH2-CE1 3.87Å; W75-F229 AromaticContact CH2-CZ 3.49Å; W75-F229 HydrophobicContact CH2-CZ 3.49Å; W75-F229 VanDerWaalsContact CH2-CZ 3.49Å; W75-F229 HydrophobicContact CZ2-CZ 4.04Å; W75-F229 AromaticContact CZ3-CE1 3.7Å; W75-F229 HydrophobicContact CZ3-CE1 3.7Å; W75-F229 AromaticContact CZ3-CZ 3.85Å; W75-F229 HydrophobicContact CZ3-CZ 3.85Å; V224-F229 HydrophobicContact CB-CE2 4.49Å; V224-F229 HydrophobicContact CG1-CE2 3.73Å; V224-F229 HydrophobicContact CG1-CZ 4.43Å; V224-F229 HydrophobicContact CG2-CE2 3.86Å; V224-F229 HydrophobicContact CG2-CZ 3.73Å; F229-T231 PolarHBondContact O-N 3.11Å; F229-K236 HydrophobicContact CD1-CD 4.08Å; F229-K236 HydrophobicContact CE1-CD 3.44Å; F229-K236 VanDerWaalsContact CE1-CD 3.44Å; F229-K236 HydrophobicContact CZ-CD 3.99Å
230	V	69.2	Low	81.7	Confident	28 Å²	28	27.8 Å²	27.8	17%	0.17	14%	0.14	C	C	.	.			trans	-67.4	109.3	165.8	-155.1	0	0	0	0	106.1	R226 G232 L233 M686	R226-V230 WeakPolarHBondContact O-CG2 3.2Å; V230-G232 VanDerWaalsContact CG1-CA 3.47Å; V230-G232 WeakPolarHBondContact O-CA 3.37Å; V230-G232 PolarHBondContact O-N 3.09Å; V230-G232 VanDerWaalsContact O-N 3.12Å; V230-L233 HydrophobicContact CB-CD1 4.09Å; V230-L233 HydrophobicContact CB-CG 4.15Å; V230-L233 HydrophobicContact CG2-CD1 4.12Å; V230-L233 PolarHBondContact O-N 3.13Å; V230-M686 HydrophobicContact CG1-CE 3.83Å; V230-M686 HydrophobicContact CG1-CG 4.37Å; V230-M686 HydrophobicContact CG1-SD 3.67Å
231	T	62	Low	81.7	Confident	78 Å²	78	28.6 Å²	28.6	48%	0.479	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-47.6	-41.5	173.5	-28.2	0	0	0	0	109.3	F229 L233 G234 S687	F229-T231 PolarHBondContact O-N 3.11Å; T231-L233 VanDerWaalsContact C-N 3.28Å; T231-L233 PolarHBondContact O-N 3.04Å; T231-G234 PolarHBondContact O-N 3.14Å; T231-S687 CarbonylContact C-O 3.56Å; T231-S687 WeakPolarHBondContact O-CB 3.35Å; T231-S687 PolarHBondContact O-OG 3.12Å; T231-S687 VanDerWaalsContact O-OG 3.09Å
232	G	52.6	Low	81.5	Confident	6 Å²	6	28.6 Å²	28.6	6%	0.062	15%	0.145	C	C	.	.	G	3₁₀ helix		41.8	-78.4	122.1	0	0	0	0	0	118.1	V230 M686 S687	V230-G232 VanDerWaalsContact CG1-CA 3.47Å; V230-G232 WeakPolarHBondContact O-CA 3.37Å; V230-G232 PolarHBondContact O-N 3.09Å; V230-G232 VanDerWaalsContact O-N 3.12Å; G232-M686 CarbonylContact O-C 3.56Å; G232-M686 WeakPolarHBondContact O-CA 3.25Å; G232-S687 VanDerWaalsContact C-CB 3.41Å; G232-S687 PolarHBondContact N-O 3.38Å; G232-S687 WeakPolarHBondContact O-CB 3.19Å; G232-S687 PolarHBondContact O-N 3.05Å
233	L	62.8	Low	81.2	Confident	13 Å²	13	31.7 Å²	31.7	7%	0.068	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-128	15.5	-149.4	-63.6	178.6	0	0	0	110.8	Y227 V230 T231 K274 Y277 A684	Y227-L233 HydrophobicContact CD1-CD1 3.62Å; Y227-L233 HydrophobicContact CG-CD1 4.06Å; V230-L233 HydrophobicContact CB-CD1 4.09Å; V230-L233 HydrophobicContact CB-CG 4.15Å; V230-L233 HydrophobicContact CG2-CD1 4.12Å; V230-L233 PolarHBondContact O-N 3.13Å; T231-L233 VanDerWaalsContact C-N 3.28Å; T231-L233 PolarHBondContact O-N 3.04Å; L233-K274 HydrophobicContact CB-CD 4.28Å; L233-K274 HydrophobicContact CB-CG 4.42Å; L233-K274 WeakPolarHBondContact O-CB 3.37Å; L233-K274 WeakPolarHBondContact O-CD 3.42Å; L233-K274 WeakPolarHBondContact O-CG 3.41Å; L233-Y277 WeakPolarHBondContact CB-OH 3.29Å; L233-A684 WeakPolarHBondContact CD2-O 3.47Å
234	G	67.6	Low	80.8	Confident	25 Å²	25	31.5 Å²	31.5	26%	0.258	16%	0.157	S	C	.	.	S	Bend	trans	79.3	173.4	-163.5	0	0	0	0	0	112.1	T231 K274 D275	T231-G234 PolarHBondContact O-N 3.14Å; G234-K274 PolarHBondContact O-NZ 3.02Å; G234-D275 WeakPolarHBondContact CA-OD2 3.19Å
235	Q	78.1	Confident	80.1	Confident	105 Å²	105	34.8 Å²	34.8	49%	0.491	17%	0.169	S	C	.	.	S	Bend	trans	-55.7	143.9	-178.1	-164.1	-179.8	24.6	0	0	111.3	R237 K274 D275	Q235-R237 PolarHBondContact O-N 3.49Å; Q235-R237 VanDerWaalsContact O-N 3.07Å; Q235-K274 VanDerWaalsContact O-CD 3.22Å; Q235-K274 WeakPolarHBondContact O-CD 3.4Å; Q235-D275 PolarHBondContact N-OD2 3.22Å
236	K	85.9	Confident	79.2	Confident	12 Å²	12	36.6 Å²	36.6	5%	0.052	18%	0.181	C	C	.	.			trans	-59	111.8	165	178.8	168.5	179.7	46.4	0	109.5	W75 E223 S228 F229 E239	W75-K236 HydrophobicContact CD2-CD 3.98Å; W75-K236 VanDerWaalsContact CE2-CE 3.41Å; W75-K236 HydrophobicContact CE3-CD 4.02Å; W75-K236 HydrophobicContact CG-CD 4.34Å; W75-K236 HydrophobicContact CZ3-CD 4.49Å; E223-K236 PolarHBondContact O-NZ 2.94Å; S228-K236 PolarHBondContact OG-NZ 2.91Å; F229-K236 HydrophobicContact CD1-CD 4.08Å; F229-K236 HydrophobicContact CE1-CD 3.44Å; F229-K236 VanDerWaalsContact CE1-CD 3.44Å; F229-K236 HydrophobicContact CZ-CD 3.99Å; K236-E239 VanDerWaalsContact NZ-CD 3.29Å; K236-E239 IonicContact NZ-OE1 3.03Å; K236-E239 PolarHBondContact NZ-OE1 2.87Å
237	R	87.2	Confident	77.9	Confident	51 Å²	51	34 Å²	34	19%	0.192	18%	0.181	C	C	.	.			trans	-104.9	-143.4	168.3	-56	-174.8	175.8	-107.4	-7.9	109.2	Q235 L273 D275 T346	Q235-R237 PolarHBondContact O-N 3.49Å; Q235-R237 VanDerWaalsContact O-N 3.07Å; R237-L273 HydrophobicContact CB-CB 4.16Å; R237-L273 HydrophobicContact CB-CD2 4.1Å; R237-L273 HydrophobicContact CB-CG 4.09Å; R237-L273 WeakPolarHBondContact CB-O 3.36Å; R237-D275 IonicContact CZ-OD1 2.68Å; R237-D275 IonicContact NE-OD1 3.67Å; R237-D275 PolarHBondContact NE-OD1 3.36Å; R237-D275 IonicContact NH2-OD1 2.94Å; R237-D275 PolarHBondContact NH2-OD1 2.97Å; R237-T346 PolarHBondContact NH2-OG1 3.1Å
238	K	90.3	Very high	76.4	Confident	42 Å²	42	33.1 Å²	33.1	18%	0.183	18%	0.184	C	C	.	.			trans	-74.9	132.6	-179.2	-168	160	-176.2	52.3	0	111.7	E223 L273 W335 A338	E223-K238 IonicContact OE2-NZ 2.95Å; E223-K238 PolarHBondContact OE2-NZ 2.95Å; K238-L273 VanDerWaalsContact O-CB 3.24Å; K238-L273 WeakPolarHBondContact O-CB 3.39Å; K238-L273 PolarHBondContact O-N 2.67Å; K238-W335 HydrophobicContact CB-CE3 4.46Å; K238-W335 HydrophobicContact CB-CH2 4.37Å; K238-W335 HydrophobicContact CB-CZ3 4.25Å; K238-W335 HydrophobicContact CD-CD2 3.89Å; K238-W335 HydrophobicContact CD-CE3 4.32Å; K238-W335 HydrophobicContact CD-CG 4.13Å; K238-W335 HydrophobicContact CD-CZ2 4.4Å; K238-W335 HydrophobicContact CG-CD2 4.1Å; K238-W335 HydrophobicContact CG-CE3 4.22Å; K238-W335 HydrophobicContact CG-CH2 4Å; K238-W335 HydrophobicContact CG-CZ2 3.84Å; K238-W335 HydrophobicContact CG-CZ3 4.18Å; K238-W335 WeakPolarHBondContact O-CH2 3.26Å; K238-A338 HydrophobicContact CB-CB 3.75Å; K238-A338 HydrophobicContact CD-CB 4.03Å
239	E	92.2	Very high	74.5	Confident	2 Å²	2	39 Å²	39	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	170.1	177.9	-63.3	-168.7	-124.9	0	0	110.3	E223 S225 S228 K236 F270 F271 F272 W335	E223-E239 HydrophobicContact CB-CB 4.33Å; E223-E239 WeakPolarHBondContact O-CB 3.42Å; E223-E239 VanDerWaalsContact OE2-O 3.06Å; S225-E239 PolarHBondContact OG-OE2 2.74Å; S228-E239 VanDerWaalsContact CA-OE1 3.3Å; S228-E239 WeakPolarHBondContact CA-OE1 3.48Å; S228-E239 VanDerWaalsContact CB-OE1 3.31Å; S228-E239 WeakPolarHBondContact CB-OE1 3.31Å; S228-E239 PolarHBondContact OG-OE1 3.17Å; S228-E239 PolarHBondContact OG-OE2 3.34Å; K236-E239 VanDerWaalsContact NZ-CD 3.29Å; K236-E239 IonicContact NZ-OE1 3.03Å; K236-E239 PolarHBondContact NZ-OE1 2.87Å; E239-F270 HydrophobicContact CB-CE1 3.87Å; E239-F270 HydrophobicContact CB-CZ 4.13Å; E239-F270 WeakPolarHBondContact OE2-CE1 3.37Å; E239-F271 CarbonylContact C-O 3.56Å; E239-F271 VanDerWaalsContact CA-O 3.22Å; E239-F271 WeakPolarHBondContact CA-O 3.45Å; E239-F272 HydrophobicContact CB-CB 4.41Å; E239-F272 HydrophobicContact CG-CB 3.65Å; E239-W335 WeakPolarHBondContact O-CZ2 3.33Å
240	G	90.6	Very high	72.5	Confident	4 Å²	4	44.4 Å²	44.4	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.2	174	166.6	0	0	0	0	0	115.9	L242 F271	G240-L242 PolarHBondContact O-N 3.43Å; G240-F271 PolarHBondContact N-O 2.84Å; G240-F271 PolarHBondContact O-N 3.24Å
241	L	89.9	Confident	71.1	Confident	55 Å²	55	47.9 Å²	47.9	29%	0.288	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	113.7	-172.4	-164.9	78	0	0	0	112.5	Y268 P283	L241-Y268 HydrophobicContact CD2-CD1 3.81Å; L241-Y268 HydrophobicContact CD2-CE1 4.23Å; L241-Y268 HydrophobicContact CD2-CG 4.24Å; L241-Y268 HydrophobicContact CG-CD1 3.81Å; L241-Y268 HydrophobicContact CG-CG 4.38Å; L241-P283 HydrophobicContact CD1-CB 3.55Å; L241-P283 HydrophobicContact CD1-CG 4.46Å
242	L	88.3	Confident	70.2	Confident	15 Å²	15	48.5 Å²	48.5	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	161.8	179.3	-54	173.3	0	0	0	111.8	G240 Y268 R269 F271 I324 W335	G240-L242 PolarHBondContact O-N 3.43Å; L242-Y268 CarbonylContact O-C 3.59Å; L242-Y268 WeakPolarHBondContact O-CA 3.49Å; L242-R269 PolarHBondContact N-O 2.91Å; L242-R269 PolarHBondContact O-N 3.01Å; L242-F271 HydrophobicContact CB-CD2 3.67Å; L242-F271 HydrophobicContact CB-CE2 3.93Å; L242-F271 HydrophobicContact CD1-CB 4.12Å; L242-F271 HydrophobicContact CD1-CD2 3.84Å; L242-F271 HydrophobicContact CD1-CE2 4.48Å; L242-F271 HydrophobicContact CD1-CG 4.02Å; L242-F271 HydrophobicContact CG-CD2 4.03Å; L242-I324 HydrophobicContact CB-CG2 3.64Å; L242-I324 HydrophobicContact CD1-CG2 3.46Å; L242-I324 VanDerWaalsContact CD1-CG2 3.46Å; L242-I324 HydrophobicContact CG-CG2 4.13Å; L242-W335 HydrophobicContact CD1-CD2 3.96Å; L242-W335 HydrophobicContact CD1-CG 4.33Å; L242-W335 HydrophobicContact CD1-CH2 4.37Å; L242-W335 HydrophobicContact CD1-CZ2 3.77Å; L242-W335 HydrophobicContact CG-CZ2 4.32Å
243	K	86.5	Confident	69.6	Low	65 Å²	65	51 Å²	51	28%	0.283	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.9	172.1	-74.9	-169.4	-180	-170.3	0	110.2	W266 T267 Y268 I324 K325	K243-W266 HydrophobicContact CB-CB 4.26Å; K243-W266 HydrophobicContact CB-CE3 3.97Å; K243-W266 HydrophobicContact CD-CB 4.15Å; K243-W266 WeakPolarHBondContact O-CZ3 3.39Å; K243-T267 CarbonylContact C-O 3.56Å; K243-T267 WeakPolarHBondContact CA-O 3.38Å; K243-Y268 HydrophobicContact CD-CE1 4.32Å; K243-Y268 VanDerWaalsContact CE-CE2 3.42Å; K243-Y268 WeakPolarHBondContact CE-OH 3.18Å; K243-Y268 HydrophobicContact CG-CD1 3.77Å; K243-Y268 HydrophobicContact CG-CE1 3.61Å; K243-Y268 HydrophobicContact CG-CE2 4.41Å; K243-Y268 HydrophobicContact CG-CG 4.28Å; K243-I324 CarbonylContact O-C 3.57Å; K243-I324 WeakPolarHBondContact O-CA 3.37Å; K243-K325 HydrophobicContact CB-CB 3.94Å; K243-K325 HydrophobicContact CB-CD 4.46Å; K243-K325 HydrophobicContact CB-CG 4.2Å; K243-K325 HydrophobicContact CD-CD 4.45Å; K243-K325 PolarHBondContact N-O 3.42Å; K243-K325 PolarHBondContact O-N 3.07Å
244	K	84.1	Confident	69	Low	16 Å²	16	53.5 Å²	53.5	7%	0.07	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.6	172.6	173.4	-177.9	-176.4	-55.2	0	110.5	G247 W266 T267 R269 F271 Y280 L322	K244-G247 PolarHBondContact NZ-O 3.03Å; K244-W266 VanDerWaalsContact C-CE3 3.41Å; K244-T267 PolarHBondContact N-O 2.92Å; K244-T267 PolarHBondContact O-N 3.37Å; K244-T267 PolarHBondContact O-OG1 2.91Å; K244-R269 HydrophobicContact CB-CG 4.13Å; K244-R269 HydrophobicContact CD-CG 4.42Å; K244-F271 HydrophobicContact CB-CE2 4.38Å; K244-F271 HydrophobicContact CB-CZ 4.25Å; K244-Y280 HydrophobicContact CD-CE1 3.97Å; K244-Y280 HydrophobicContact CD-CE2 3.94Å; K244-Y280 VanDerWaalsContact CE-OH 3.29Å; K244-Y280 WeakPolarHBondContact CE-OH 3.43Å; K244-L322 HydrophobicContact CD-CD1 3.69Å; K244-L322 VanDerWaalsContact CE-CD1 3.4Å; K244-L322 HydrophobicContact CG-CD1 3.75Å
245	R	76.3	Confident	67.7	Low	69 Å²	69	58.9 Å²	58.9	26%	0.26	33%	0.334	S	S	.	.			trans	-72.5	137.1	168.5	-163.6	174.3	71.9	170.3	-2.8	110.1	W266 A323	R245-W266 HydrophobicContact CB-CD2 4.23Å; R245-W266 HydrophobicContact CB-CE3 4.05Å; R245-W266 HydrophobicContact CB-CH2 3.95Å; R245-W266 HydrophobicContact CB-CZ2 4.11Å; R245-W266 HydrophobicContact CB-CZ3 3.9Å; R245-W266 HydrophobicContact CG-CZ2 4.44Å; R245-A323 HydrophobicContact CB-CB 3.94Å; R245-A323 PolarHBondContact N-O 2.97Å; R245-A323 VanDerWaalsContact N-O 3.1Å
246	P	66.6	Low	66.5	Low	42 Å²	42	58.5 Å²	58.5	27%	0.273	33%	0.334	S	S	.	.	S	Bend	trans	-60.7	163.8	168.1	-21.2	34.7	0	0	0	111.3	A264 S265	P246-A264 HydrophobicContact CB-CB 3.79Å; P246-A264 HydrophobicContact CG-CB 3.74Å; P246-S265 WeakPolarHBondContact CD-O 3.03Å; P246-S265 WeakPolarHBondContact CG-O 3.1Å
247	G	53.8	Low	64.8	Low	32 Å²	32	64.8 Å²	64.8	33%	0.33	36%	0.358	S	S	.	.			trans	77.5	-168.2	-162.4	0	0	0	0	0	112.4	K244	K244-G247 PolarHBondContact NZ-O 3.03Å
248	G	50.5	Low	62.8	Low	22 Å²	22	65.6 Å²	65.6	23%	0.227	37%	0.37	C	S	.	.	S	Bend	trans	80.4	24.8	-173.7	0	0	0	0	0	114.5	S320 T321	G248-S320 WeakPolarHBondContact O-CB 3.42Å; G248-S320 PolarHBondContact O-OG 3.23Å; G248-T321 WeakPolarHBondContact CA-O 3.37Å
249	R	45.4	Very low	60.9	Low	122 Å²	122	66.2 Å²	66.2	46%	0.46	38%	0.38	S	S	.	.	S	Bend	trans	-147.2	-8.7	174.1	-84.3	-168.6	156.6	-178.6	-10.3	115.8	R289 A290	R249-R289 PolarHBondContact NH1-O 3.48Å; R249-R289 PolarHBondContact NH2-O 3.3Å; R249-A290 VanDerWaalsContact NH2-CA 3.3Å
250	Q	43.3	Very low	59.1	Low	128 Å²	128	68.1 Å²	68.1	60%	0.598	39%	0.392	S	S	*	.	S	Bend	trans	-139.1	133	179.5	-75.5	167	-48.8	0	0	106.6	Y252	Q250-Y252 VanDerWaalsContact C-N 3.33Å; Q250-Y252 HydrophobicContact CB-CD2 4.25Å; Q250-Y252 HydrophobicContact CB-CE2 3.84Å; Q250-Y252 WeakPolarHBondContact O-CD2 3.43Å; Q250-Y252 PolarHBondContact O-N 2.93Å; Q250-Y252 PolarHBondContact OE1-OH 3.06Å
251	A	40	Very low	57.4	Low	102 Å²	102	71.7 Å²	71.7	84%	0.843	41%	0.407	S	S	*	.			trans	-71.5	92.9	166.4	0	0	0	0	0	108	G253	A251-G253 PolarHBondContact O-N 3.43Å
252	Y	42.8	Very low	55.7	Low	90 Å²	90	75.1 Å²	75.1	35%	0.353	42%	0.423	S	S	.	.			trans	-69.3	120.2	166	-69	-82.4	0	0	0	107.7	Q250 I256 R257	Q250-Y252 VanDerWaalsContact C-N 3.33Å; Q250-Y252 HydrophobicContact CB-CD2 4.25Å; Q250-Y252 HydrophobicContact CB-CE2 3.84Å; Q250-Y252 WeakPolarHBondContact O-CD2 3.43Å; Q250-Y252 PolarHBondContact O-N 2.93Å; Q250-Y252 PolarHBondContact OE1-OH 3.06Å; Y252-I256 HydrophobicContact CD1-CB 4.43Å; Y252-I256 HydrophobicContact CD1-CG2 3.48Å; Y252-I256 VanDerWaalsContact CD1-CG2 3.48Å; Y252-I256 HydrophobicContact CE1-CG2 4.18Å; Y252-I256 HydrophobicContact CG-CG2 4.13Å; Y252-R257 WeakPolarHBondContact O-CB 3.37Å
253	G	39.3	Very low	54.2	Low	59 Å²	59	82 Å²	82	61%	0.608	45%	0.453	S	S	*	.			trans	-81.8	149.7	173.9	0	0	0	0	0	111.9	A251	A251-G253 PolarHBondContact O-N 3.43Å
254	G	49.8	Very low	53.1	Low	65 Å²	65	80.2 Å²	80.2	67%	0.67	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-146.2	170.5	0	0	0	0	0	115.3	I256 R257	G254-I256 PolarHBondContact O-N 2.83Å; G254-I256 VanDerWaalsContact O-N 3.11Å; G254-R257 WeakPolarHBondContact O-CB 3.48Å; G254-R257 PolarHBondContact O-N 3.15Å
255	I	41.8	Very low	52.3	Low	138 Å²	138	83.8 Å²	83.8	71%	0.708	48%	0.477	S	S	*	.	H	α-helix	trans	-54.5	-31.8	-174	-104.3	168.8	0	0	0	113.4	R257 C258 C259	I255-R257 PolarHBondContact O-N 2.92Å; I255-C258 WeakPolarHBondContact O-CB 3.19Å; I255-C258 PolarHBondContact O-N 2.93Å; I255-C259 PolarHBondContact O-N 3.17Å; I255-C259 PolarHBondContact O-SG 3.06Å; I255-C259 VanDerWaalsContact O-SG 3.4Å
256	I	52	Low	52.5	Low	97 Å²	97	83.9 Å²	83.9	50%	0.497	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-31.4	-179.2	-56.6	174.3	0	0	0	111.1	Y252 G254 T260	Y252-I256 HydrophobicContact CD1-CB 4.43Å; Y252-I256 HydrophobicContact CD1-CG2 3.48Å; Y252-I256 VanDerWaalsContact CD1-CG2 3.48Å; Y252-I256 HydrophobicContact CE1-CG2 4.18Å; Y252-I256 HydrophobicContact CG-CG2 4.13Å; G254-I256 PolarHBondContact O-N 2.83Å; G254-I256 VanDerWaalsContact O-N 3.11Å; I256-T260 HydrophobicContact CG2-CG2 4.31Å; I256-T260 WeakPolarHBondContact O-CB 3.37Å; I256-T260 WeakPolarHBondContact O-CG2 3.1Å; I256-T260 PolarHBondContact O-N 2.87Å; I256-T260 PolarHBondContact O-OG1 2.82Å
257	R	49.4	Very low	53.4	Low	145 Å²	145	83.8 Å²	83.8	55%	0.547	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-49.2	172.1	-175.4	177	161.6	-157.8	-14.9	111.3	Y252 G254 I255 C259 T260 E261	Y252-R257 WeakPolarHBondContact O-CB 3.37Å; G254-R257 WeakPolarHBondContact O-CB 3.48Å; G254-R257 PolarHBondContact O-N 3.15Å; I255-R257 PolarHBondContact O-N 2.92Å; R257-C259 PolarHBondContact O-N 3.02Å; R257-T260 PolarHBondContact O-N 2.84Å; R257-T260 PolarHBondContact O-OG1 3.14Å; R257-E261 HydrophobicContact CG-CG 4.27Å; R257-E261 VanDerWaalsContact CG-OE1 3.3Å; R257-E261 WeakPolarHBondContact CG-OE1 3.47Å; R257-E261 IonicContact CZ-OE1 3.26Å; R257-E261 IonicContact NE-OE1 3.07Å; R257-E261 PolarHBondContact NE-OE1 3.31Å; R257-E261 IonicContact NE-OE2 3.93Å; R257-E261 IonicContact NH2-OE1 2.82Å; R257-E261 WeakPolarHBondContact O-CB 3.49Å; R257-E261 VanDerWaalsContact O-CG 3.25Å; R257-E261 WeakPolarHBondContact O-CG 3.48Å; R257-E261 PolarHBondContact O-N 3.13Å
258	C	46.9	Very low	55.1	Low	67 Å²	67	87.5 Å²	87.5	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-59.4	-47.5	178.6	-173.5	0	0	0	0	111.1	I255 T260 E261 M262	I255-C258 WeakPolarHBondContact O-CB 3.19Å; I255-C258 PolarHBondContact O-N 2.93Å; C258-T260 PolarHBondContact O-N 2.99Å; C258-E261 PolarHBondContact O-N 3Å; C258-M262 WeakPolarHBondContact O-CB 3.21Å; C258-M262 WeakPolarHBondContact O-CG 3.44Å; C258-M262 PolarHBondContact O-N 2.73Å
259	C	49.7	Very low	57	Low	56 Å²	56	88.9 Å²	88.9	38%	0.378	48%	0.479	S	S	.	.	H	α-helix	trans	-63.8	-41	177.3	-61.1	0	0	0	0	113.1	I255 R257 F263	I255-C259 PolarHBondContact O-N 3.17Å; I255-C259 PolarHBondContact O-SG 3.06Å; I255-C259 VanDerWaalsContact O-SG 3.4Å; R257-C259 PolarHBondContact O-N 3.02Å; C259-F263 HydrophobicContact CB-CD2 4.25Å; C259-F263 WeakPolarHBondContact O-CB 3.34Å; C259-F263 WeakPolarHBondContact O-CD2 3.45Å; C259-F263 PolarHBondContact O-N 3.28Å
260	T	53.3	Low	59.1	Low	42 Å²	42	83.7 Å²	83.7	26%	0.258	46%	0.46	S	S	.	.	H	α-helix	trans	-72.8	-30.8	177.3	49.3	0	0	0	0	113	I256 R257 C258 A264	I256-T260 HydrophobicContact CG2-CG2 4.31Å; I256-T260 WeakPolarHBondContact O-CB 3.37Å; I256-T260 WeakPolarHBondContact O-CG2 3.1Å; I256-T260 PolarHBondContact O-N 2.87Å; I256-T260 PolarHBondContact O-OG1 2.82Å; R257-T260 PolarHBondContact O-N 2.84Å; R257-T260 PolarHBondContact O-OG1 3.14Å; C258-T260 PolarHBondContact O-N 2.99Å; T260-A264 WeakPolarHBondContact O-CB 3.36Å; T260-A264 PolarHBondContact O-N 2.6Å
261	E	55	Low	61.4	Low	78 Å²	78	77.6 Å²	77.6	36%	0.364	43%	0.431	S	S	.	.	H	α-helix	trans	-72.6	-34.1	174.5	-70.8	-178.2	-176	0	0	112.5	R257 C258	R257-E261 HydrophobicContact CG-CG 4.27Å; R257-E261 VanDerWaalsContact CG-OE1 3.3Å; R257-E261 WeakPolarHBondContact CG-OE1 3.47Å; R257-E261 IonicContact CZ-OE1 3.26Å; R257-E261 IonicContact NE-OE1 3.07Å; R257-E261 PolarHBondContact NE-OE1 3.31Å; R257-E261 IonicContact NE-OE2 3.93Å; R257-E261 IonicContact NH2-OE1 2.82Å; R257-E261 WeakPolarHBondContact O-CB 3.49Å; R257-E261 VanDerWaalsContact O-CG 3.25Å; R257-E261 WeakPolarHBondContact O-CG 3.48Å; R257-E261 PolarHBondContact O-N 3.13Å; C258-E261 PolarHBondContact O-N 3Å
262	M	54	Low	63.7	Low	128 Å²	128	72.7 Å²	72.7	63%	0.631	39%	0.391	S	S	*	.	H	α-helix	trans	-83.6	-42.8	179.4	-74	172.3	52.8	0	0	114.7	C258	C258-M262 WeakPolarHBondContact O-CB 3.21Å; C258-M262 WeakPolarHBondContact O-CG 3.44Å; C258-M262 PolarHBondContact O-N 2.73Å
263	F	57.3	Low	65.9	Low	160 Å²	160	68.4 Å²	68.4	70%	0.702	37%	0.374	S	S	*	.	H	α-helix	trans	-107.2	-9.4	-167.1	-60.4	-69.4	0	0	0	115	C259 S265	C259-F263 HydrophobicContact CB-CD2 4.25Å; C259-F263 WeakPolarHBondContact O-CB 3.34Å; C259-F263 WeakPolarHBondContact O-CD2 3.45Å; C259-F263 PolarHBondContact O-N 3.28Å; F263-S265 PolarHBondContact O-N 2.79Å
264	A	63.1	Low	68.1	Low	26 Å²	26	65.6 Å²	65.6	22%	0.215	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-77.5	122.3	-174.4	0	0	0	0	0	113	P246 T260	P246-A264 HydrophobicContact CB-CB 3.79Å; P246-A264 HydrophobicContact CG-CB 3.74Å; T260-A264 WeakPolarHBondContact O-CB 3.36Å; T260-A264 PolarHBondContact O-N 2.6Å
265	S	69.1	Low	69.6	Low	91 Å²	91	64 Å²	64	64%	0.636	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-69.8	132.7	-175.7	57.2	0	0	0	0	113	P246 F263 T267	P246-S265 WeakPolarHBondContact CD-O 3.03Å; P246-S265 WeakPolarHBondContact CG-O 3.1Å; F263-S265 PolarHBondContact O-N 2.79Å; S265-T267 PolarHBondContact O-N 2.78Å
266	W	80	Confident	71.2	Confident	71 Å²	71	58.3 Å²	58.3	27%	0.269	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-64.4	124.7	176.9	-72.4	82.9	0	0	0	111.4	K243 K244 R245 H312 A323 K325	K243-W266 HydrophobicContact CB-CB 4.26Å; K243-W266 HydrophobicContact CB-CE3 3.97Å; K243-W266 HydrophobicContact CD-CB 4.15Å; K243-W266 WeakPolarHBondContact O-CZ3 3.39Å; K244-W266 VanDerWaalsContact C-CE3 3.41Å; R245-W266 HydrophobicContact CB-CD2 4.23Å; R245-W266 HydrophobicContact CB-CE3 4.05Å; R245-W266 HydrophobicContact CB-CH2 3.95Å; R245-W266 HydrophobicContact CB-CZ2 4.11Å; R245-W266 HydrophobicContact CB-CZ3 3.9Å; R245-W266 HydrophobicContact CG-CZ2 4.44Å; W266-H312 AromaticContact CH2-CD2 3.92Å; W266-H312 AromaticContact CZ2-NE2 3.97Å; W266-A323 HydrophobicContact CH2-CB 3.96Å; W266-A323 HydrophobicContact CZ3-CB 4.41Å; W266-A323 WeakPolarHBondContact CZ3-O 3.16Å; W266-K325 HydrophobicContact CD2-CB 4.25Å; W266-K325 HydrophobicContact CD2-CD 3.83Å; W266-K325 HydrophobicContact CE3-CB 3.59Å; W266-K325 HydrophobicContact CE3-CD 4.02Å; W266-K325 HydrophobicContact CE3-CG 4.46Å; W266-K325 HydrophobicContact CG-CD 4.27Å; W266-K325 HydrophobicContact CH2-CB 3.72Å; W266-K325 HydrophobicContact CH2-CD 4.41Å; W266-K325 HydrophobicContact CZ2-CB 4.35Å; W266-K325 HydrophobicContact CZ2-CD 4.23Å; W266-K325 HydrophobicContact CZ3-CB 3.3Å; W266-K325 HydrophobicContact CZ3-CD 4.32Å; W266-K325 HydrophobicContact CZ3-CG 4.48Å
267	T	85.9	Confident	72.6	Confident	41 Å²	41	54 Å²	54	25%	0.252	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.3	-177.3	57.7	0	0	0	0	111.6	K243 K244 S265	K243-T267 CarbonylContact C-O 3.56Å; K243-T267 WeakPolarHBondContact CA-O 3.38Å; K244-T267 PolarHBondContact N-O 2.92Å; K244-T267 PolarHBondContact O-N 3.37Å; K244-T267 PolarHBondContact O-OG1 2.91Å; S265-T267 PolarHBondContact O-N 2.78Å
268	Y	88.7	Confident	74.2	Confident	109 Å²	109	47.1 Å²	47.1	43%	0.427	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	137.3	174.9	-77.1	-75.6	0	0	0	111.5	L241 L242 K243	L241-Y268 HydrophobicContact CD2-CD1 3.81Å; L241-Y268 HydrophobicContact CD2-CE1 4.23Å; L241-Y268 HydrophobicContact CD2-CG 4.24Å; L241-Y268 HydrophobicContact CG-CD1 3.81Å; L241-Y268 HydrophobicContact CG-CG 4.38Å; L242-Y268 CarbonylContact O-C 3.59Å; L242-Y268 WeakPolarHBondContact O-CA 3.49Å; K243-Y268 HydrophobicContact CD-CE1 4.32Å; K243-Y268 VanDerWaalsContact CE-CE2 3.42Å; K243-Y268 WeakPolarHBondContact CE-OH 3.18Å; K243-Y268 HydrophobicContact CG-CD1 3.77Å; K243-Y268 HydrophobicContact CG-CE1 3.61Å; K243-Y268 HydrophobicContact CG-CE2 4.41Å; K243-Y268 HydrophobicContact CG-CG 4.28Å
269	R	89.8	Confident	76.1	Confident	52 Å²	52	43.9 Å²	43.9	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.9	172.5	-62.6	-65.5	177.3	-103.9	4.2	108.8	L242 K244 F271 Y280 A281	L242-R269 PolarHBondContact N-O 2.91Å; L242-R269 PolarHBondContact O-N 3.01Å; K244-R269 HydrophobicContact CB-CG 4.13Å; K244-R269 HydrophobicContact CD-CG 4.42Å; R269-F271 HydrophobicContact CB-CD2 4.19Å; R269-F271 HydrophobicContact CB-CE2 3.78Å; R269-F271 HydrophobicContact CB-CZ 4.47Å; R269-Y280 HydrophobicContact CB-CD2 4.08Å; R269-Y280 HydrophobicContact CB-CG 4.4Å; R269-Y280 HydrophobicContact CG-CD2 3.87Å; R269-Y280 HydrophobicContact CG-CE2 4.35Å; R269-A281 WeakPolarHBondContact CD-O 3.37Å
270	F	90.2	Very high	77.8	Confident	12 Å²	12	41.8 Å²	41.8	5%	0.053	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	113.5	171.8	-164.7	-76.4	0	0	0	107.6	E239 Y280 A281	E239-F270 HydrophobicContact CB-CE1 3.87Å; E239-F270 HydrophobicContact CB-CZ 4.13Å; E239-F270 WeakPolarHBondContact OE2-CE1 3.37Å; F270-Y280 CarbonylContact O-C 3.59Å; F270-Y280 VanDerWaalsContact O-CA 3.26Å; F270-Y280 WeakPolarHBondContact O-CA 3.41Å; F270-A281 PolarHBondContact N-O 3.14Å; F270-A281 PolarHBondContact O-N 2.85Å
271	F	91.6	Very high	79.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143.1	178	-79.1	-94.5	0	0	0	110	E239 G240 L242 K244 R269 L278 A279 Y280 L322 I324 W335	E239-F271 CarbonylContact C-O 3.56Å; E239-F271 VanDerWaalsContact CA-O 3.22Å; E239-F271 WeakPolarHBondContact CA-O 3.45Å; G240-F271 PolarHBondContact N-O 2.84Å; G240-F271 PolarHBondContact O-N 3.24Å; L242-F271 HydrophobicContact CB-CD2 3.67Å; L242-F271 HydrophobicContact CB-CE2 3.93Å; L242-F271 HydrophobicContact CD1-CB 4.12Å; L242-F271 HydrophobicContact CD1-CD2 3.84Å; L242-F271 HydrophobicContact CD1-CE2 4.48Å; L242-F271 HydrophobicContact CD1-CG 4.02Å; L242-F271 HydrophobicContact CG-CD2 4.03Å; K244-F271 HydrophobicContact CB-CE2 4.38Å; K244-F271 HydrophobicContact CB-CZ 4.25Å; R269-F271 HydrophobicContact CB-CD2 4.19Å; R269-F271 HydrophobicContact CB-CE2 3.78Å; R269-F271 HydrophobicContact CB-CZ 4.47Å; F271-L278 HydrophobicContact CD1-CD1 4.28Å; F271-L278 HydrophobicContact CD1-CG 4.45Å; F271-A279 WeakPolarHBondContact CA-O 3.19Å; F271-Y280 HydrophobicContact CD1-CD1 4.35Å; F271-Y280 HydrophobicContact CD1-CG 4.42Å; F271-Y280 AromaticContact CE1-CD1 3.55Å; F271-Y280 HydrophobicContact CE1-CD1 3.55Å; F271-Y280 AromaticContact CE1-CG 3.87Å; F271-Y280 HydrophobicContact CE1-CG 3.87Å; F271-Y280 AromaticContact CZ-CD1 3.91Å; F271-Y280 HydrophobicContact CZ-CD1 3.91Å; F271-Y280 HydrophobicContact CZ-CG 4.02Å; F271-L322 HydrophobicContact CE1-CD2 3.8Å; F271-L322 HydrophobicContact CZ-CD1 4.4Å; F271-L322 HydrophobicContact CZ-CD2 4.33Å; F271-I324 HydrophobicContact CD1-CD1 4.22Å; F271-I324 HydrophobicContact CE1-CD1 3.78Å; F271-I324 HydrophobicContact CE1-CG1 4.32Å; F271-I324 HydrophobicContact CE2-CG2 4.33Å; F271-I324 HydrophobicContact CZ-CD1 4.05Å; F271-I324 HydrophobicContact CZ-CG1 4.12Å; F271-I324 HydrophobicContact CZ-CG2 4.47Å; F271-W335 HydrophobicContact CB-CH2 3.73Å; F271-W335 HydrophobicContact CB-CZ2 4.28Å; F271-W335 HydrophobicContact CB-CZ3 4.29Å
272	F	88.8	Confident	80.9	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	124.8	171.9	54	-80.3	0	0	0	110.5	Y227 E239 K274 Y277 A279 A281 V288	Y227-F272 HydrophobicContact CD2-CD1 4.24Å; Y227-F272 AromaticContact CD2-CE1 3.6Å; Y227-F272 HydrophobicContact CD2-CE1 3.6Å; Y227-F272 AromaticContact CD2-CE2 3.94Å; Y227-F272 HydrophobicContact CD2-CE2 3.94Å; Y227-F272 AromaticContact CD2-CZ 3.41Å; Y227-F272 HydrophobicContact CD2-CZ 3.41Å; Y227-F272 VanDerWaalsContact CD2-CZ 3.41Å; Y227-F272 HydrophobicContact CE2-CE1 4.12Å; Y227-F272 AromaticContact CE2-CZ 3.99Å; Y227-F272 HydrophobicContact CE2-CZ 3.99Å; Y227-F272 HydrophobicContact CG-CE1 4.37Å; Y227-F272 AromaticContact CG-CE2 3.87Å; Y227-F272 HydrophobicContact CG-CE2 3.87Å; Y227-F272 AromaticContact CG-CZ 3.8Å; Y227-F272 HydrophobicContact CG-CZ 3.8Å; E239-F272 HydrophobicContact CB-CB 4.41Å; E239-F272 HydrophobicContact CG-CB 3.65Å; F272-K274 HydrophobicContact CD2-CG 4.39Å; F272-Y277 HydrophobicContact CD2-CE2 4.49Å; F272-Y277 HydrophobicContact CE2-CE2 4.16Å; F272-A279 HydrophobicContact CD1-CB 4.29Å; F272-A279 HydrophobicContact CD2-CB 3.91Å; F272-A279 HydrophobicContact CE1-CB 3.86Å; F272-A279 HydrophobicContact CE2-CB 3.46Å; F272-A279 VanDerWaalsContact CE2-CB 3.46Å; F272-A279 HydrophobicContact CG-CB 4.31Å; F272-A279 HydrophobicContact CZ-CB 3.43Å; F272-A279 VanDerWaalsContact CZ-CB 3.43Å; F272-A279 PolarHBondContact N-O 2.78Å; F272-A279 PolarHBondContact O-N 2.79Å; F272-A281 HydrophobicContact CE1-CB 4.1Å; F272-V288 HydrophobicContact CZ-CG2 4.08Å
273	L	89.1	Confident	82.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.3	174.6	-177.1	66.6	0	0	0	109.2	R237 K238 L278 F294 W335 A338 I339 A342	R237-L273 HydrophobicContact CB-CB 4.16Å; R237-L273 HydrophobicContact CB-CD2 4.1Å; R237-L273 HydrophobicContact CB-CG 4.09Å; R237-L273 WeakPolarHBondContact CB-O 3.36Å; K238-L273 VanDerWaalsContact O-CB 3.24Å; K238-L273 WeakPolarHBondContact O-CB 3.39Å; K238-L273 PolarHBondContact O-N 2.67Å; L273-L278 HydrophobicContact CB-CD1 4.22Å; L273-L278 HydrophobicContact CD1-CB 4.24Å; L273-L278 HydrophobicContact CD1-CD1 4.13Å; L273-F294 HydrophobicContact CD1-CE1 4.33Å; L273-F294 HydrophobicContact CD1-CZ 3.75Å; L273-W335 HydrophobicContact CB-CZ3 4.3Å; L273-A338 VanDerWaalsContact CD2-C 3.44Å; L273-A338 HydrophobicContact CD2-CB 3.85Å; L273-A338 WeakPolarHBondContact CD2-O 3.32Å; L273-I339 HydrophobicContact CD1-CB 4.47Å; L273-I339 HydrophobicContact CD1-CG1 3.96Å; L273-I339 HydrophobicContact CD1-CG2 4.47Å; L273-I339 HydrophobicContact CD2-CG1 4.06Å; L273-A342 HydrophobicContact CD1-CB 4.35Å; L273-A342 HydrophobicContact CD2-CB 4.18Å; L273-A342 HydrophobicContact CG-CB 4.37Å
274	K	85.7	Confident	83.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.162	C	C	.	.			trans	-131.9	-174.5	176.3	-71.1	-60.3	-161.4	162.2	0	110	Y227 S228 L233 G234 Q235 F272 T276 Y277	Y227-K274 WeakPolarHBondContact O-CE 3.35Å; Y227-K274 PolarHBondContact O-NZ 3.04Å; S228-K274 PolarHBondContact O-NZ 2.8Å; L233-K274 HydrophobicContact CB-CD 4.28Å; L233-K274 HydrophobicContact CB-CG 4.42Å; L233-K274 WeakPolarHBondContact O-CB 3.37Å; L233-K274 WeakPolarHBondContact O-CD 3.42Å; L233-K274 WeakPolarHBondContact O-CG 3.41Å; G234-K274 PolarHBondContact O-NZ 3.02Å; Q235-K274 VanDerWaalsContact O-CD 3.22Å; Q235-K274 WeakPolarHBondContact O-CD 3.4Å; F272-K274 HydrophobicContact CD2-CG 4.39Å; K274-T276 PolarHBondContact O-N 3.07Å; K274-Y277 HydrophobicContact CB-CD1 4.05Å; K274-Y277 HydrophobicContact CB-CD2 4.32Å; K274-Y277 HydrophobicContact CB-CE1 3.73Å; K274-Y277 HydrophobicContact CB-CE2 4.04Å; K274-Y277 HydrophobicContact CB-CG 4.35Å; K274-Y277 HydrophobicContact CG-CE1 4.17Å; K274-Y277 HydrophobicContact CG-CE2 3.97Å; K274-Y277 PolarHBondContact N-O 3.14Å
275	D	80.8	Confident	84.4	Confident	30 Å²	30	33.4 Å²	33.4	16%	0.16	17%	0.169	C	C	.	.	S	Bend	trans	-67.6	-35.6	-170.8	-66	-33.1	0	0	0	113.9	G234 Q235 R237 F294 T346	G234-D275 WeakPolarHBondContact CA-OD2 3.19Å; Q235-D275 PolarHBondContact N-OD2 3.22Å; R237-D275 IonicContact CZ-OD1 2.68Å; R237-D275 IonicContact NE-OD1 3.67Å; R237-D275 PolarHBondContact NE-OD1 3.36Å; R237-D275 IonicContact NH2-OD1 2.94Å; R237-D275 PolarHBondContact NH2-OD1 2.97Å; D275-F294 VanDerWaalsContact O-CE2 3.25Å; D275-F294 WeakPolarHBondContact O-CE2 3.4Å; D275-T346 WeakPolarHBondContact CA-OG1 3.22Å; D275-T346 HydrophobicContact CB-CG2 4.06Å; D275-T346 VanDerWaalsContact O-CB 3.24Å; D275-T346 WeakPolarHBondContact O-CB 3.42Å; D275-T346 PolarHBondContact O-OG1 3.18Å
276	T	75	Confident	84.8	Confident	19 Å²	19	29.7 Å²	29.7	12%	0.117	14%	0.142	C	C	.	.	S	Bend	trans	-124	6.3	-175.1	64.2	0	0	0	0	113.8	K274 F294 F350 E672	K274-T276 PolarHBondContact O-N 3.07Å; T276-F294 VanDerWaalsContact C-CD2 3.4Å; T276-F294 WeakPolarHBondContact O-CG 3.37Å; T276-F294 PolarHBondContact O-N 3.31Å; T276-F350 HydrophobicContact CG2-CD2 4.22Å; T276-F350 HydrophobicContact CG2-CE2 3.43Å; T276-F350 VanDerWaalsContact CG2-CE2 3.43Å; T276-F350 HydrophobicContact CG2-CZ 4.14Å; T276-E672 PolarHBondContact OG1-OE1 3.23Å
277	Y	80.4	Confident	84.5	Confident	7 Å²	7	28.8 Å²	28.8	3%	0.027	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	161.4	-178.6	67.1	-90	0	0	0	114.5	L233 F272 K274 A279 V291 M292	L233-Y277 WeakPolarHBondContact CB-OH 3.29Å; F272-Y277 HydrophobicContact CD2-CE2 4.49Å; F272-Y277 HydrophobicContact CE2-CE2 4.16Å; K274-Y277 HydrophobicContact CB-CD1 4.05Å; K274-Y277 HydrophobicContact CB-CD2 4.32Å; K274-Y277 HydrophobicContact CB-CE1 3.73Å; K274-Y277 HydrophobicContact CB-CE2 4.04Å; K274-Y277 HydrophobicContact CB-CG 4.35Å; K274-Y277 HydrophobicContact CG-CE1 4.17Å; K274-Y277 HydrophobicContact CG-CE2 3.97Å; K274-Y277 PolarHBondContact N-O 3.14Å; Y277-A279 HydrophobicContact CD2-CB 3.84Å; Y277-A279 HydrophobicContact CE2-CB 3.72Å; Y277-V291 HydrophobicContact CD2-CG1 3.72Å; Y277-V291 HydrophobicContact CE2-CG1 4.19Å; Y277-V291 HydrophobicContact CG-CG1 3.96Å; Y277-M292 CarbonylContact C-O 3.53Å; Y277-M292 VanDerWaalsContact CA-O 3.26Å; Y277-M292 WeakPolarHBondContact CA-O 3.49Å; Y277-M292 WeakPolarHBondContact CB-O 3.11Å
278	L	85.1	Confident	84	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.4	163.2	177.2	67.3	0	0	0	109	F271 L273 M292 F298 L322 I324 W335 I339	F271-L278 HydrophobicContact CD1-CD1 4.28Å; F271-L278 HydrophobicContact CD1-CG 4.45Å; L273-L278 HydrophobicContact CB-CD1 4.22Å; L273-L278 HydrophobicContact CD1-CB 4.24Å; L273-L278 HydrophobicContact CD1-CD1 4.13Å; L278-M292 HydrophobicContact CB-CE 4.05Å; L278-M292 HydrophobicContact CD2-CE 3.85Å; L278-M292 HydrophobicContact CG-CE 3.68Å; L278-M292 PolarHBondContact N-O 2.87Å; L278-M292 WeakPolarHBondContact O-CA 3.26Å; L278-M292 VanDerWaalsContact O-CB 3.26Å; L278-M292 WeakPolarHBondContact O-CB 3.33Å; L278-M292 VanDerWaalsContact O-CE 3.23Å; L278-M292 WeakPolarHBondContact O-CE 3.34Å; L278-M292 PolarHBondContact O-N 3.11Å; L278-F298 HydrophobicContact CB-CE2 4.45Å; L278-F298 HydrophobicContact CB-CZ 4.37Å; L278-L322 HydrophobicContact CD2-CD2 4.5Å; L278-I324 HydrophobicContact CD2-CD1 4.47Å; L278-W335 HydrophobicContact CD1-CZ3 4.12Å; L278-I339 HydrophobicContact CD2-CD1 4.22Å
279	A	84.8	Confident	83.5	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.4	177.6	0	0	0	0	0	112	F271 F272 Y277 A290	F271-A279 WeakPolarHBondContact CA-O 3.19Å; F272-A279 HydrophobicContact CD1-CB 4.29Å; F272-A279 HydrophobicContact CD2-CB 3.91Å; F272-A279 HydrophobicContact CE1-CB 3.86Å; F272-A279 HydrophobicContact CE2-CB 3.46Å; F272-A279 VanDerWaalsContact CE2-CB 3.46Å; F272-A279 HydrophobicContact CG-CB 4.31Å; F272-A279 HydrophobicContact CZ-CB 3.43Å; F272-A279 VanDerWaalsContact CZ-CB 3.43Å; F272-A279 PolarHBondContact N-O 2.78Å; F272-A279 PolarHBondContact O-N 2.79Å; Y277-A279 HydrophobicContact CD2-CB 3.84Å; Y277-A279 HydrophobicContact CE2-CB 3.72Å; A279-A290 CarbonylContact C-O 3.59Å; A279-A290 WeakPolarHBondContact CA-O 3.43Å; A279-A290 VanDerWaalsContact CB-O 3.24Å; A279-A290 WeakPolarHBondContact CB-O 3.43Å
280	Y	86.8	Confident	82.7	Confident	12 Å²	12	23.4 Å²	23.4	5%	0.047	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	139.9	169.9	68.6	-101.5	0	0	0	113.3	K244 R269 F270 F271 R289 A290 M292 L322	K244-Y280 HydrophobicContact CD-CE1 3.97Å; K244-Y280 HydrophobicContact CD-CE2 3.94Å; K244-Y280 VanDerWaalsContact CE-OH 3.29Å; K244-Y280 WeakPolarHBondContact CE-OH 3.43Å; R269-Y280 HydrophobicContact CB-CD2 4.08Å; R269-Y280 HydrophobicContact CB-CG 4.4Å; R269-Y280 HydrophobicContact CG-CD2 3.87Å; R269-Y280 HydrophobicContact CG-CE2 4.35Å; F270-Y280 CarbonylContact O-C 3.59Å; F270-Y280 VanDerWaalsContact O-CA 3.26Å; F270-Y280 WeakPolarHBondContact O-CA 3.41Å; F271-Y280 HydrophobicContact CD1-CD1 4.35Å; F271-Y280 HydrophobicContact CD1-CG 4.42Å; F271-Y280 AromaticContact CE1-CD1 3.55Å; F271-Y280 HydrophobicContact CE1-CD1 3.55Å; F271-Y280 AromaticContact CE1-CG 3.87Å; F271-Y280 HydrophobicContact CE1-CG 3.87Å; F271-Y280 AromaticContact CZ-CD1 3.91Å; F271-Y280 HydrophobicContact CZ-CD1 3.91Å; F271-Y280 HydrophobicContact CZ-CG 4.02Å; Y280-R289 HydrophobicContact CD2-CB 3.81Å; Y280-R289 HydrophobicContact CE2-CB 3.48Å; Y280-R289 VanDerWaalsContact CE2-CB 3.48Å; Y280-R289 PolarHBondContact O-N 2.99Å; Y280-A290 HydrophobicContact CD1-CB 3.75Å; Y280-A290 HydrophobicContact CD2-CB 4.49Å; Y280-A290 HydrophobicContact CE1-CB 3.27Å; Y280-A290 HydrophobicContact CE2-CB 4.07Å; Y280-A290 HydrophobicContact CG-CB 4.31Å; Y280-A290 VanDerWaalsContact CZ-CB 3.41Å; Y280-A290 PolarHBondContact N-O 2.63Å; Y280-A290 PolarHBondContact O-N 2.89Å; Y280-A290 VanDerWaalsContact O-N 3.15Å; Y280-M292 HydrophobicContact CD1-CE 3.89Å; Y280-M292 HydrophobicContact CD1-SD 4.49Å; Y280-M292 HydrophobicContact CE1-CE 4.28Å; Y280-M292 HydrophobicContact CE1-SD 4.29Å; Y280-L322 HydrophobicContact CE1-CD1 4.21Å
281	A	85.4	Confident	81.8	Confident	3 Å²	3	23.9 Å²	23.9	3%	0.025	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	164.3	-179.6	0	0	0	0	0	112.7	Y227 R269 F270 F272 E286 D287	Y227-A281 HydrophobicContact CE2-CB 4.47Å; R269-A281 WeakPolarHBondContact CD-O 3.37Å; F270-A281 PolarHBondContact N-O 3.14Å; F270-A281 PolarHBondContact O-N 2.85Å; F272-A281 HydrophobicContact CE1-CB 4.1Å; A281-E286 VanDerWaalsContact CB-O 3.27Å; A281-E286 WeakPolarHBondContact CB-O 3.29Å; A281-D287 CarbonylContact C-O 3.57Å; A281-D287 VanDerWaalsContact CA-O 3.31Å; A281-D287 WeakPolarHBondContact CA-O 3.23Å
282	H	86.5	Confident	81	Confident	36 Å²	36	24.9 Å²	24.9	17%	0.167	13%	0.128	C	C	.	.			trans	-68.4	132	164.4	-167.6	-110.7	0	0	0	109.5	E284 S285 E286 D287 R289	H282-E284 IonicContact CE1-OE2 2.8Å; H282-E284 PolarHBondContact O-N 2.82Å; H282-E284 VanDerWaalsContact O-N 3.16Å; H282-S285 PolarHBondContact ND1-OG 3.06Å; H282-E286 WeakPolarHBondContact O-CA 3.2Å; H282-E286 PolarHBondContact O-N 3Å; H282-D287 PolarHBondContact N-O 2.73Å; H282-R289 HydrophobicContact CB-CG 4.41Å
283	P	86.1	Confident	80.2	Confident	20 Å²	20	27.8 Å²	27.8	13%	0.13	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-4.8	-167.9	31.5	-37.7	0	0	0	115.1	K216 L241	K216-P283 WeakPolarHBondContact CE-O 3.41Å; K216-P283 PolarHBondContact NZ-O 2.73Å; L241-P283 HydrophobicContact CD1-CB 3.55Å; L241-P283 HydrophobicContact CD1-CG 4.46Å
284	E	82.7	Confident	79.6	Confident	147 Å²	147	28 Å²	28	69%	0.687	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-50.6	-178.5	-67.3	170.9	169.3	0	0	112.1	H282	H282-E284 IonicContact CE1-OE2 2.8Å; H282-E284 PolarHBondContact O-N 2.82Å; H282-E284 VanDerWaalsContact O-N 3.16Å
285	S	79.9	Confident	78.8	Confident	51 Å²	51	30.3 Å²	30.3	36%	0.357	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.7	-179.7	58.1	0	0	0	0	113.3	H282 D287	H282-S285 PolarHBondContact ND1-OG 3.06Å; S285-D287 WeakPolarHBondContact CB-OD1 3.45Å; S285-D287 PolarHBondContact O-N 2.96Å; S285-D287 PolarHBondContact OG-OD1 3.44Å; S285-D287 PolarHBondContact OG-OD2 3.04Å; S285-D287 VanDerWaalsContact OG-OD2 3.12Å
286	E	76.7	Confident	78.1	Confident	14 Å²	14	31.6 Å²	31.6	7%	0.065	17%	0.166	C	C	.	.			trans	61.8	1.3	179.9	-62.1	-174	-142.1	0	0	115.9	Y23 R219 R226 Y227 A281 H282 V288	Y23-E286 VanDerWaalsContact CE1-OE1 3.29Å; Y23-E286 WeakPolarHBondContact CE1-OE1 3.24Å; Y23-E286 WeakPolarHBondContact CE1-OE2 3.47Å; Y23-E286 PolarHBondContact OH-OE1 2.9Å; Y23-E286 VanDerWaalsContact OH-OE1 3.13Å; R219-E286 IonicContact CZ-OE1 2.58Å; R219-E286 IonicContact NH1-OE1 3.87Å; R219-E286 PolarHBondContact NH1-OE1 3.22Å; R219-E286 IonicContact NH2-OE1 3.16Å; R219-E286 PolarHBondContact NH2-OE1 2.89Å; R226-E286 WeakPolarHBondContact CG-OE2 2.96Å; R226-E286 PolarHBondContact N-OE2 3.48Å; R226-E286 VanDerWaalsContact N-OE2 3.14Å; R226-E286 IonicContact NE-OE2 2.74Å; Y227-E286 WeakPolarHBondContact CE2-O 3.37Å; Y227-E286 PolarHBondContact OH-O 2.95Å; A281-E286 VanDerWaalsContact CB-O 3.27Å; A281-E286 WeakPolarHBondContact CB-O 3.29Å; H282-E286 WeakPolarHBondContact O-CA 3.2Å; H282-E286 PolarHBondContact O-N 3Å; E286-V288 PolarHBondContact O-N 3.25Å
287	D	74.8	Confident	77.6	Confident	52 Å²	52	30.8 Å²	30.8	28%	0.278	16%	0.162	S	C	.	.			trans	-54.9	123.6	173.3	18	-71.7	0	0	0	112.4	A281 H282 S285 R289	A281-D287 CarbonylContact C-O 3.57Å; A281-D287 VanDerWaalsContact CA-O 3.31Å; A281-D287 WeakPolarHBondContact CA-O 3.23Å; H282-D287 PolarHBondContact N-O 2.73Å; S285-D287 WeakPolarHBondContact CB-OD1 3.45Å; S285-D287 PolarHBondContact O-N 2.96Å; S285-D287 PolarHBondContact OG-OD1 3.44Å; S285-D287 PolarHBondContact OG-OD2 3.04Å; S285-D287 VanDerWaalsContact OG-OD2 3.12Å; D287-R289 WeakPolarHBondContact O-CG 3.38Å; D287-R289 PolarHBondContact O-N 3Å; D287-R289 VanDerWaalsContact O-N 3.14Å; D287-R289 IonicContact OD2-CZ 4Å; D287-R289 IonicContact OD2-NE 2.91Å; D287-R289 PolarHBondContact OD2-NE 3.21Å; D287-R289 IonicContact OD2-NH2 3.99Å; D287-R289 PolarHBondContact OD2-NH2 2.88Å
288	V	76.2	Confident	77.3	Confident	20 Å²	20	31.2 Å²	31.2	12%	0.121	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	115.4	174.4	-174.7	0	0	0	0	108.8	Y227 F272 E286 A290 V291	Y227-V288 HydrophobicContact CE1-CG2 4.1Å; Y227-V288 HydrophobicContact CE2-CG2 3.73Å; Y227-V288 VanDerWaalsContact CZ-CG2 3.49Å; Y227-V288 WeakPolarHBondContact OH-CG2 3.49Å; F272-V288 HydrophobicContact CZ-CG2 4.08Å; E286-V288 PolarHBondContact O-N 3.25Å; V288-A290 WeakPolarHBondContact CG1-O 3.41Å; V288-V291 HydrophobicContact CG1-CG2 3.79Å
289	R	77.9	Confident	76.7	Confident	67 Å²	67	36 Å²	36	25%	0.253	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-26.8	177.2	-61.6	-53.7	-178.7	119.6	-1.1	111.5	R249 Y280 H282 D287	R249-R289 PolarHBondContact NH1-O 3.48Å; R249-R289 PolarHBondContact NH2-O 3.3Å; Y280-R289 HydrophobicContact CD2-CB 3.81Å; Y280-R289 HydrophobicContact CE2-CB 3.48Å; Y280-R289 VanDerWaalsContact CE2-CB 3.48Å; Y280-R289 PolarHBondContact O-N 2.99Å; H282-R289 HydrophobicContact CB-CG 4.41Å; D287-R289 WeakPolarHBondContact O-CG 3.38Å; D287-R289 PolarHBondContact O-N 3Å; D287-R289 VanDerWaalsContact O-N 3.14Å; D287-R289 IonicContact OD2-CZ 4Å; D287-R289 IonicContact OD2-NE 2.91Å; D287-R289 PolarHBondContact OD2-NE 3.21Å; D287-R289 IonicContact OD2-NH2 3.99Å; D287-R289 PolarHBondContact OD2-NH2 2.88Å
290	A	71.4	Confident	76.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	147.6	173.7	0	0	0	0	0	113	R249 A279 Y280 V288 M292	R249-A290 VanDerWaalsContact NH2-CA 3.3Å; A279-A290 CarbonylContact C-O 3.59Å; A279-A290 WeakPolarHBondContact CA-O 3.43Å; A279-A290 VanDerWaalsContact CB-O 3.24Å; A279-A290 WeakPolarHBondContact CB-O 3.43Å; Y280-A290 HydrophobicContact CD1-CB 3.75Å; Y280-A290 HydrophobicContact CD2-CB 4.49Å; Y280-A290 HydrophobicContact CE1-CB 3.27Å; Y280-A290 HydrophobicContact CE2-CB 4.07Å; Y280-A290 HydrophobicContact CG-CB 4.31Å; Y280-A290 VanDerWaalsContact CZ-CB 3.41Å; Y280-A290 PolarHBondContact N-O 2.63Å; Y280-A290 PolarHBondContact O-N 2.89Å; Y280-A290 VanDerWaalsContact O-N 3.15Å; V288-A290 WeakPolarHBondContact CG1-O 3.41Å; A290-M292 HydrophobicContact CB-CG 4.49Å
291	V	72.4	Confident	75.6	Confident	22 Å²	22	42.1 Å²	42.1	13%	0.133	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.6	163.2	-173.3	0	0	0	0	105.9	Y277 V288 L293 A684	Y277-V291 HydrophobicContact CD2-CG1 3.72Å; Y277-V291 HydrophobicContact CE2-CG1 4.19Å; Y277-V291 HydrophobicContact CG-CG1 3.96Å; V288-V291 HydrophobicContact CG1-CG2 3.79Å; V291-L293 HydrophobicContact CG1-CD2 4.09Å; V291-A684 HydrophobicContact CG1-CB 4.46Å; V291-A684 HydrophobicContact CG2-CB 3.58Å
292	M	74.7	Confident	75	Confident	22 Å²	22	44.1 Å²	44.1	11%	0.108	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	96.7	-175	-62.2	164.8	-60.7	0	0	107.7	Y277 L278 Y280 A290 F298 F317 L322	Y277-M292 CarbonylContact C-O 3.53Å; Y277-M292 VanDerWaalsContact CA-O 3.26Å; Y277-M292 WeakPolarHBondContact CA-O 3.49Å; Y277-M292 WeakPolarHBondContact CB-O 3.11Å; L278-M292 HydrophobicContact CB-CE 4.05Å; L278-M292 HydrophobicContact CD2-CE 3.85Å; L278-M292 HydrophobicContact CG-CE 3.68Å; L278-M292 PolarHBondContact N-O 2.87Å; L278-M292 WeakPolarHBondContact O-CA 3.26Å; L278-M292 VanDerWaalsContact O-CB 3.26Å; L278-M292 WeakPolarHBondContact O-CB 3.33Å; L278-M292 VanDerWaalsContact O-CE 3.23Å; L278-M292 WeakPolarHBondContact O-CE 3.34Å; L278-M292 PolarHBondContact O-N 3.11Å; Y280-M292 HydrophobicContact CD1-CE 3.89Å; Y280-M292 HydrophobicContact CD1-SD 4.49Å; Y280-M292 HydrophobicContact CE1-CE 4.28Å; Y280-M292 HydrophobicContact CE1-SD 4.29Å; A290-M292 HydrophobicContact CB-CG 4.49Å; M292-F298 HydrophobicContact CB-CE2 4.46Å; M292-F317 HydrophobicContact CB-CE1 3.59Å; M292-F317 HydrophobicContact CB-CE2 4.49Å; M292-F317 HydrophobicContact CB-CZ 3.48Å; M292-F317 VanDerWaalsContact CB-CZ 3.48Å; M292-F317 HydrophobicContact CE-CZ 4.49Å; M292-F317 HydrophobicContact CG-CE1 4.05Å; M292-F317 HydrophobicContact CG-CE2 4.16Å; M292-F317 HydrophobicContact CG-CZ 3.6Å; M292-F317 HydrophobicContact SD-CE1 4.37Å; M292-F317 HydrophobicContact SD-CE2 3.54Å; M292-F317 VanDerWaalsContact SD-CE2 3.54Å; M292-F317 HydrophobicContact SD-CZ 3.36Å; M292-F317 WeakPolarHBondContact SD-CZ 3.25Å; M292-L322 HydrophobicContact CE-CD2 3.62Å; M292-L322 HydrophobicContact SD-CD2 3.57Å; M292-L322 VanDerWaalsContact SD-CD2 3.57Å
293	L	72.5	Confident	74	Confident	61 Å²	61	46.1 Å²	46.1	32%	0.319	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	152	-176.3	-54.5	179.9	0	0	0	110.9	V291 D295 F298 R675	V291-L293 HydrophobicContact CG1-CD2 4.09Å; L293-D295 PolarHBondContact O-N 2.94Å; L293-F298 VanDerWaalsContact O-CD2 3.26Å; L293-F298 WeakPolarHBondContact O-CD2 3.15Å; L293-R675 HydrophobicContact CD1-CB 4.07Å
294	F	76.5	Confident	72.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.018	25%	0.252	C	S	.	.			trans	-76.8	102.3	168.4	-56.6	-25.3	0	0	0	108.8	L273 D275 T276 F298 A342 V343 F350 L351	L273-F294 HydrophobicContact CD1-CE1 4.33Å; L273-F294 HydrophobicContact CD1-CZ 3.75Å; D275-F294 VanDerWaalsContact O-CE2 3.25Å; D275-F294 WeakPolarHBondContact O-CE2 3.4Å; T276-F294 VanDerWaalsContact C-CD2 3.4Å; T276-F294 WeakPolarHBondContact O-CG 3.37Å; T276-F294 PolarHBondContact O-N 3.31Å; F294-F298 AromaticContact CD1-CD1 3.98Å; F294-F298 HydrophobicContact CD1-CD1 3.98Å; F294-F298 AromaticContact CD1-CD2 3.79Å; F294-F298 HydrophobicContact CD1-CD2 3.79Å; F294-F298 AromaticContact CD1-CE1 3.89Å; F294-F298 HydrophobicContact CD1-CE1 3.89Å; F294-F298 AromaticContact CD1-CE2 3.7Å; F294-F298 HydrophobicContact CD1-CE2 3.7Å; F294-F298 AromaticContact CD1-CG 3.96Å; F294-F298 HydrophobicContact CD1-CG 3.96Å; F294-F298 AromaticContact CD1-CZ 3.76Å; F294-F298 HydrophobicContact CD1-CZ 3.76Å; F294-F298 HydrophobicContact CE1-CD1 4.49Å; F294-F298 HydrophobicContact CE1-CD2 4.44Å; F294-F298 AromaticContact CE1-CE1 3.94Å; F294-F298 HydrophobicContact CE1-CE1 3.94Å; F294-F298 AromaticContact CE1-CE2 3.89Å; F294-F298 HydrophobicContact CE1-CE2 3.89Å; F294-F298 AromaticContact CE1-CZ 3.62Å; F294-F298 HydrophobicContact CE1-CZ 3.62Å; F294-A342 HydrophobicContact CE2-CB 3.79Å; F294-A342 HydrophobicContact CZ-CB 3.97Å; F294-V343 HydrophobicContact CD1-CG2 3.96Å; F294-V343 HydrophobicContact CD2-CG2 4.2Å; F294-V343 HydrophobicContact CE1-CG2 4.03Å; F294-V343 HydrophobicContact CE2-CG2 4.25Å; F294-V343 HydrophobicContact CG-CG2 4.07Å; F294-V343 HydrophobicContact CZ-CG2 4.18Å; F294-F350 WeakPolarHBondContact O-CB 3.49Å; F294-L351 HydrophobicContact CB-CD2 4.47Å
295	D	67.9	Low	71	Confident	49 Å²	49	49.5 Å²	49.5	26%	0.262	25%	0.249	S	C	.	.			trans	-119.1	165.7	174.3	71.5	55.9	0	0	0	110.5	L293 G297 F298 L351	L293-D295 PolarHBondContact O-N 2.94Å; D295-G297 PolarHBondContact O-N 3.31Å; D295-G297 WeakPolarHBondContact OD1-CA 3.35Å; D295-G297 PolarHBondContact OD1-N 3.44Å; D295-F298 WeakPolarHBondContact O-CB 3.32Å; D295-F298 PolarHBondContact O-N 3.32Å; D295-F298 PolarHBondContact OD1-N 2.55Å; D295-L351 WeakPolarHBondContact O-CD2 3.31Å
296	P	66.7	Low	69.1	Low	56 Å²	56	57.1 Å²	57.1	36%	0.364	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	7.2	-179.2	-25	35.1	0	0	0	116	K318 F350 M721	P296-K318 PolarHBondContact O-NZ 3.31Å; P296-F350 WeakPolarHBondContact CD-O 3.46Å; P296-M721 HydrophobicContact CB-CE 3.89Å; P296-M721 HydrophobicContact CB-SD 4.15Å; P296-M721 HydrophobicContact CG-CE 3.84Å
297	G	65	Low	67.5	Low	3 Å²	3	65.7 Å²	65.7	3%	0.031	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-1.3	165.4	0	0	0	0	0	114.8	D295 H299	D295-G297 PolarHBondContact O-N 3.31Å; D295-G297 WeakPolarHBondContact OD1-CA 3.35Å; D295-G297 PolarHBondContact OD1-N 3.44Å; G297-H299 PolarHBondContact O-CE1 2.78Å; G297-H299 PolarHBondContact O-N 3.28Å; G297-H299 PolarHBondContact O-ND1 3.08Å
298	F	73.5	Confident	66.2	Low	15 Å²	15	71.8 Å²	71.8	7%	0.066	33%	0.333	C	S	.	.			trans	-75.2	116.3	172.3	-169.2	-75	0	0	0	109.8	L278 M292 L293 F294 D295 V300 F317 I339 V343	L278-F298 HydrophobicContact CB-CE2 4.45Å; L278-F298 HydrophobicContact CB-CZ 4.37Å; M292-F298 HydrophobicContact CB-CE2 4.46Å; L293-F298 VanDerWaalsContact O-CD2 3.26Å; L293-F298 WeakPolarHBondContact O-CD2 3.15Å; F294-F298 AromaticContact CD1-CD1 3.98Å; F294-F298 HydrophobicContact CD1-CD1 3.98Å; F294-F298 AromaticContact CD1-CD2 3.79Å; F294-F298 HydrophobicContact CD1-CD2 3.79Å; F294-F298 AromaticContact CD1-CE1 3.89Å; F294-F298 HydrophobicContact CD1-CE1 3.89Å; F294-F298 AromaticContact CD1-CE2 3.7Å; F294-F298 HydrophobicContact CD1-CE2 3.7Å; F294-F298 AromaticContact CD1-CG 3.96Å; F294-F298 HydrophobicContact CD1-CG 3.96Å; F294-F298 AromaticContact CD1-CZ 3.76Å; F294-F298 HydrophobicContact CD1-CZ 3.76Å; F294-F298 HydrophobicContact CE1-CD1 4.49Å; F294-F298 HydrophobicContact CE1-CD2 4.44Å; F294-F298 AromaticContact CE1-CE1 3.94Å; F294-F298 HydrophobicContact CE1-CE1 3.94Å; F294-F298 AromaticContact CE1-CE2 3.89Å; F294-F298 HydrophobicContact CE1-CE2 3.89Å; F294-F298 AromaticContact CE1-CZ 3.62Å; F294-F298 HydrophobicContact CE1-CZ 3.62Å; D295-F298 WeakPolarHBondContact O-CB 3.32Å; D295-F298 PolarHBondContact O-N 3.32Å; D295-F298 PolarHBondContact OD1-N 2.55Å; F298-V300 HydrophobicContact CE1-CG2 3.85Å; F298-F317 HydrophobicContact CD2-CD1 4.25Å; F298-F317 AromaticContact CD2-CE1 3.45Å; F298-F317 HydrophobicContact CD2-CE1 3.45Å; F298-F317 VanDerWaalsContact CD2-CE1 3.45Å; F298-F317 HydrophobicContact CD2-CZ 4.21Å; F298-F317 AromaticContact CE2-CE1 3.61Å; F298-F317 HydrophobicContact CE2-CE1 3.61Å; F298-F317 AromaticContact CE2-CZ 3.91Å; F298-F317 HydrophobicContact CE2-CZ 3.91Å; F298-F317 HydrophobicContact CG-CE1 4.47Å; F298-I339 HydrophobicContact CE1-CG2 3.59Å; F298-I339 HydrophobicContact CZ-CG2 3.9Å; F298-V343 HydrophobicContact CD1-CG2 3.95Å; F298-V343 HydrophobicContact CE1-CG2 3.88Å
299	H	71.9	Confident	64.8	Low	101 Å²	101	76 Å²	76	47%	0.468	36%	0.36	S	S	.	.			trans	-141.4	154.9	173.8	50	-54	0	0	0	110.2	G297 C315 P316	G297-H299 PolarHBondContact O-CE1 2.78Å; G297-H299 PolarHBondContact O-N 3.28Å; G297-H299 PolarHBondContact O-ND1 3.08Å; H299-C315 WeakPolarHBondContact O-CA 3.34Å; H299-P316 WeakPolarHBondContact CD2-CG 3.27Å; H299-P316 PolarHBondContact CE1-O 2.92Å; H299-P316 PolarHBondContact N-O 2.98Å; H299-P316 PolarHBondContact ND1-O 2.83Å; H299-P316 VanDerWaalsContact ND1-O 3.09Å; H299-P316 VanDerWaalsContact NE2-CG 3.3Å; H299-P316 WeakPolarHBondContact NE2-CG 3.23Å; H299-P316 WeakPolarHBondContact O-CD 3.43Å
300	V	76.6	Confident	63.5	Low	32 Å²	32	74.4 Å²	74.4	19%	0.194	36%	0.359	C	S	.	.			trans	-119.3	136.7	177.3	-174.1	0	0	0	0	108	F298 T313 L314 E336 I339	F298-V300 HydrophobicContact CE1-CG2 3.85Å; V300-T313 HydrophobicContact CG1-CG2 3.88Å; V300-L314 WeakPolarHBondContact CA-O 3.44Å; V300-E336 HydrophobicContact CG1-CB 4.49Å; V300-E336 HydrophobicContact CG1-CG 4.21Å; V300-I339 HydrophobicContact CG2-CB 4.13Å; V300-I339 HydrophobicContact CG2-CD1 4.34Å; V300-I339 HydrophobicContact CG2-CG2 3.53Å
301	K	73.2	Confident	62.6	Low	108 Å²	108	79 Å²	79	47%	0.47	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	125.9	177.5	-173.9	-171.6	174.9	-160	0	108.9	E303 L314	K301-E303 HydrophobicContact CD-CG 4.22Å; K301-E303 WeakPolarHBondContact CE-OE1 3.31Å; K301-E303 IonicContact NZ-OE1 2.74Å; K301-E303 PolarHBondContact NZ-OE1 3.18Å; K301-L314 PolarHBondContact N-O 2.95Å; K301-L314 PolarHBondContact O-N 2.47Å
302	L	72.1	Confident	61.7	Low	46 Å²	46	79 Å²	79	24%	0.241	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134	162.8	-71.4	174.3	0	0	0	109.5	T313 A332 L333 E336	L302-T313 HydrophobicContact CD2-CG2 4.29Å; L302-A332 HydrophobicContact CD2-CB 3.77Å; L302-L333 HydrophobicContact CD1-CD2 3.57Å; L302-L333 HydrophobicContact CD1-CG 4.19Å; L302-E336 HydrophobicContact CD1-CB 4.19Å; L302-E336 HydrophobicContact CD1-CG 4.32Å; L302-E336 WeakPolarHBondContact CD1-OE1 3.39Å; L302-E336 VanDerWaalsContact CD1-OE2 3.28Å; L302-E336 WeakPolarHBondContact CD1-OE2 3.42Å; L302-E336 HydrophobicContact CD2-CB 4.43Å; L302-E336 HydrophobicContact CG-CB 4.22Å; L302-E336 HydrophobicContact CG-CG 4.31Å; L302-E336 WeakPolarHBondContact CG-OE1 3.46Å
303	E	64.6	Low	60.7	Low	77 Å²	77	78 Å²	78	36%	0.36	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.9	170	-84	-176	-173.9	0	0	110.8	K301 E305 H312 L314	K301-E303 HydrophobicContact CD-CG 4.22Å; K301-E303 WeakPolarHBondContact CE-OE1 3.31Å; K301-E303 IonicContact NZ-OE1 2.74Å; K301-E303 PolarHBondContact NZ-OE1 3.18Å; E303-E305 PolarHBondContact O-N 3.37Å; E303-H312 PolarHBondContact N-O 3.28Å; E303-H312 VanDerWaalsContact N-O 3.16Å; E303-L314 HydrophobicContact CB-CD1 3.84Å; E303-L314 HydrophobicContact CG-CD1 3.56Å; E303-L314 WeakPolarHBondContact OE2-CD1 3.46Å
304	E	55.7	Low	59.7	Low	107 Å²	107	76.1 Å²	76.1	50%	0.5	36%	0.36	S	S	.	.			trans	-86.5	86	171.7	-58.7	-158.9	136.1	0	0	109.4	Y306 K329	E304-Y306 WeakPolarHBondContact O-CD2 3.06Å; E304-Y306 PolarHBondContact O-N 3.07Å; E304-K329 VanDerWaalsContact OE1-CE 3.26Å; E304-K329 WeakPolarHBondContact OE1-CE 3.32Å; E304-K329 IonicContact OE1-NZ 2.69Å; E304-K329 PolarHBondContact OE1-NZ 3.07Å
305	E	51.2	Low	58.7	Low	131 Å²	131	76 Å²	76	61%	0.612	36%	0.36	S	S	*	.			trans	-66.9	107.4	168	-87.2	-166.1	140.3	0	0	109.9	E303 K307 H312	E303-E305 PolarHBondContact O-N 3.37Å; E305-K307 PolarHBondContact O-N 2.94Å; E305-H312 IonicContact OE2-CE1 2.72Å; E305-H312 PolarHBondContact OE2-CE1 3.36Å; E305-H312 IonicContact OE2-ND1 3.19Å
306	Y	40.3	Very low	57.6	Low	212 Å²	212	74.5 Å²	74.5	83%	0.831	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-0.7	-157.2	-109.4	-97.6	0	0	0	118.4	E304	E304-Y306 WeakPolarHBondContact O-CD2 3.06Å; E304-Y306 PolarHBondContact O-N 3.07Å
307	K	42.1	Very low	56.9	Low	194 Å²	194	73.4 Å²	73.4	84%	0.843	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.6	-0.1	-165.7	-71.3	-169	177.3	177.5	0	119	E305	E305-K307 PolarHBondContact O-N 2.94Å
308	K	48.5	Very low	55.9	Low	180 Å²	180	77.3 Å²	77.3	78%	0.783	36%	0.358	S	S	*	.	S	Bend	trans	-164.6	146.4	169.1	-102.6	136.8	-173.8	-177.2	0	111.2
309	P	45.9	Very low	54.6	Low	107 Å²	107	80.9 Å²	80.9	70%	0.695	38%	0.377	S	S	*	.	S	Bend	trans	-56.8	130	164.7	25.4	-32.8	0	0	0	108.7
310	P	50.6	Low	53.7	Low	35 Å²	35	77.4 Å²	77.4	23%	0.227	36%	0.364	C	S	.	.			cis	-125.6	160.2	49.3	22	-0.5	0	0	0	114.8	H312 K325	P310-H312 PolarHBondContact O-CE1 3.23Å; P310-H312 VanDerWaalsContact O-CE1 3.28Å; P310-H312 PolarHBondContact O-ND1 3.45Å; P310-K325 HydrophobicContact CB-CD 4.07Å; P310-K325 HydrophobicContact CB-CG 4.01Å; P310-K325 HydrophobicContact CG-CD 3.72Å; P310-K325 HydrophobicContact CG-CG 4.22Å
311	Y	52.1	Low	53.1	Low	98 Å²	98	79 Å²	79	38%	0.384	38%	0.375	S	S	.	.			trans	-77.2	130.7	176.1	-52.9	-80.4	0	0	0	111.2	C326 K329	Y311-C326 PolarHBondContact O-N 3.38Å; Y311-K329 HydrophobicContact CD1-CB 3.68Å; Y311-K329 HydrophobicContact CD1-CD 4.22Å; Y311-K329 HydrophobicContact CD1-CG 3.83Å; Y311-K329 HydrophobicContact CD2-CB 3.94Å; Y311-K329 HydrophobicContact CE1-CB 3.62Å; Y311-K329 HydrophobicContact CE1-CD 3.91Å; Y311-K329 HydrophobicContact CE1-CG 3.93Å; Y311-K329 HydrophobicContact CE2-CB 3.87Å; Y311-K329 HydrophobicContact CG-CB 3.84Å; Y311-K329 HydrophobicContact CG-CG 4.34Å
312	H	54.9	Low	53.2	Low	22 Å²	22	74.1 Å²	74.1	10%	0.102	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.2	-175.9	-60.8	116.2	0	0	0	111.2	W266 E303 E305 P310	W266-H312 AromaticContact CH2-CD2 3.92Å; W266-H312 AromaticContact CZ2-NE2 3.97Å; E303-H312 PolarHBondContact N-O 3.28Å; E303-H312 VanDerWaalsContact N-O 3.16Å; E305-H312 IonicContact OE2-CE1 2.72Å; E305-H312 PolarHBondContact OE2-CE1 3.36Å; E305-H312 IonicContact OE2-ND1 3.19Å; P310-H312 PolarHBondContact O-CE1 3.23Å; P310-H312 VanDerWaalsContact O-CE1 3.28Å; P310-H312 PolarHBondContact O-ND1 3.45Å
313	T	52.7	Low	53.4	Low	1 Å²	1	72.4 Å²	72.4	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.3	165.2	-52.6	0	0	0	0	107.3	V300 L302 I324	V300-T313 HydrophobicContact CG1-CG2 3.88Å; L302-T313 HydrophobicContact CD2-CG2 4.29Å; T313-I324 PolarHBondContact N-O 3.09Å; T313-I324 WeakPolarHBondContact O-CA 3.26Å; T313-I324 WeakPolarHBondContact O-CB 3.14Å; T313-I324 PolarHBondContact O-N 2.68Å; T313-I324 VanDerWaalsContact O-O 3.12Å
314	L	52.8	Low	54.1	Low	21 Å²	21	68.9 Å²	68.9	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127	175	-68.1	153.5	0	0	0	108.1	V300 K301 E303 P316 T321 A323	V300-L314 WeakPolarHBondContact CA-O 3.44Å; K301-L314 PolarHBondContact N-O 2.95Å; K301-L314 PolarHBondContact O-N 2.47Å; E303-L314 HydrophobicContact CB-CD1 3.84Å; E303-L314 HydrophobicContact CG-CD1 3.56Å; E303-L314 WeakPolarHBondContact OE2-CD1 3.46Å; L314-P316 WeakPolarHBondContact O-CD 3.13Å; L314-T321 HydrophobicContact CB-CG2 4.26Å; L314-T321 HydrophobicContact CD2-CG2 3.58Å; L314-T321 HydrophobicContact CG-CG2 4.48Å; L314-A323 HydrophobicContact CD2-CB 3.58Å
315	C	53.5	Low	55.3	Low	1 Å²	1	66.4 Å²	66.4	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	85.8	163.1	-60.7	0	0	0	0	106.9	H299 F317 L322	H299-C315 WeakPolarHBondContact O-CA 3.34Å; C315-F317 HydrophobicContact CB-CE2 4.25Å; C315-F317 HydrophobicContact CB-CZ 4.32Å; C315-F317 WeakPolarHBondContact O-CD2 3.38Å; C315-F317 VanDerWaalsContact O-CE2 3.31Å; C315-F317 WeakPolarHBondContact O-CE2 3.44Å; C315-L322 HydrophobicContact CB-CB 4.28Å; C315-L322 HydrophobicContact CB-CD2 4.43Å; C315-L322 PolarHBondContact N-O 2.82Å; C315-L322 PolarHBondContact O-N 3Å
316	P	46.5	Very low	56.7	Low	18 Å²	18	60.5 Å²	60.5	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	129	168.8	26.6	-36.6	0	0	0	112	H299 L314 T321	H299-P316 WeakPolarHBondContact CD2-CG 3.27Å; H299-P316 PolarHBondContact CE1-O 2.92Å; H299-P316 PolarHBondContact N-O 2.98Å; H299-P316 PolarHBondContact ND1-O 2.83Å; H299-P316 VanDerWaalsContact ND1-O 3.09Å; H299-P316 VanDerWaalsContact NE2-CG 3.3Å; H299-P316 WeakPolarHBondContact NE2-CG 3.23Å; H299-P316 WeakPolarHBondContact O-CD 3.43Å; L314-P316 WeakPolarHBondContact O-CD 3.13Å; P316-T321 HydrophobicContact CB-CG2 4.3Å
317	F	51.9	Low	58.4	Low	32 Å²	32	57 Å²	57	14%	0.14	28%	0.279	C	S	.	.			trans	-105.3	158.3	163.1	-55.2	-84.4	0	0	0	109	M292 F298 C315 I319 S320 L322	M292-F317 HydrophobicContact CB-CE1 3.59Å; M292-F317 HydrophobicContact CB-CE2 4.49Å; M292-F317 HydrophobicContact CB-CZ 3.48Å; M292-F317 VanDerWaalsContact CB-CZ 3.48Å; M292-F317 HydrophobicContact CE-CZ 4.49Å; M292-F317 HydrophobicContact CG-CE1 4.05Å; M292-F317 HydrophobicContact CG-CE2 4.16Å; M292-F317 HydrophobicContact CG-CZ 3.6Å; M292-F317 HydrophobicContact SD-CE1 4.37Å; M292-F317 HydrophobicContact SD-CE2 3.54Å; M292-F317 VanDerWaalsContact SD-CE2 3.54Å; M292-F317 HydrophobicContact SD-CZ 3.36Å; M292-F317 WeakPolarHBondContact SD-CZ 3.25Å; F298-F317 HydrophobicContact CD2-CD1 4.25Å; F298-F317 AromaticContact CD2-CE1 3.45Å; F298-F317 HydrophobicContact CD2-CE1 3.45Å; F298-F317 VanDerWaalsContact CD2-CE1 3.45Å; F298-F317 HydrophobicContact CD2-CZ 4.21Å; F298-F317 AromaticContact CE2-CE1 3.61Å; F298-F317 HydrophobicContact CE2-CE1 3.61Å; F298-F317 AromaticContact CE2-CZ 3.91Å; F298-F317 HydrophobicContact CE2-CZ 3.91Å; F298-F317 HydrophobicContact CG-CE1 4.47Å; C315-F317 HydrophobicContact CB-CE2 4.25Å; C315-F317 HydrophobicContact CB-CZ 4.32Å; C315-F317 WeakPolarHBondContact O-CD2 3.38Å; C315-F317 VanDerWaalsContact O-CE2 3.31Å; C315-F317 WeakPolarHBondContact O-CE2 3.44Å; F317-I319 PolarHBondContact O-N 2.87Å; F317-I319 VanDerWaalsContact O-N 3.11Å; F317-S320 CarbonylContact C-O 3.35Å; F317-S320 WeakPolarHBondContact CA-O 3.39Å; F317-S320 WeakPolarHBondContact CB-O 3.43Å; F317-S320 WeakPolarHBondContact CD2-O 3.36Å; F317-S320 PolarHBondContact N-O 3.48Å; F317-S320 PolarHBondContact O-N 3.11Å; F317-S320 VanDerWaalsContact O-O 3.11Å; F317-L322 HydrophobicContact CD2-CB 4.4Å; F317-L322 HydrophobicContact CE2-CB 3.75Å
318	K	43.4	Very low	59.9	Low	85 Å²	85	48.6 Å²	48.6	37%	0.37	24%	0.244	S	C	.	.	S	Bend	trans	-57.5	-26.3	177.5	-82.6	173.7	176.4	156.3	0	114.3	P296 N720 M721	P296-K318 PolarHBondContact O-NZ 3.31Å; K318-N720 HydrophobicContact CB-CB 3.92Å; K318-N720 HydrophobicContact CD-CB 4.21Å; K318-N720 HydrophobicContact CG-CB 4.45Å; K318-N720 PolarHBondContact O-ND2 3.48Å; K318-M721 HydrophobicContact CD-CG 4.34Å; K318-M721 PolarHBondContact NZ-SD 3.07Å
319	I	45.6	Very low	61.1	Low	90 Å²	90	43.5 Å²	43.5	46%	0.462	22%	0.222	S	C	.	.	S	Bend	trans	-105	-16.2	179	-62.2	-175.7	0	0	0	112.9	F317 G718 N720	F317-I319 PolarHBondContact O-N 2.87Å; F317-I319 VanDerWaalsContact O-N 3.11Å; I319-G718 WeakPolarHBondContact CD1-O 3.3Å; I319-N720 WeakPolarHBondContact CD1-OD1 3.28Å; I319-N720 WeakPolarHBondContact CG1-OD1 3.33Å
320	S	54.5	Low	62.5	Low	28 Å²	28	41.8 Å²	41.8	20%	0.196	20%	0.204	C	C	.	.			trans	-164.8	151.5	-176.2	64.7	0	0	0	0	114.3	G248 F317	G248-S320 WeakPolarHBondContact O-CB 3.42Å; G248-S320 PolarHBondContact O-OG 3.23Å; F317-S320 CarbonylContact C-O 3.35Å; F317-S320 WeakPolarHBondContact CA-O 3.39Å; F317-S320 WeakPolarHBondContact CB-O 3.43Å; F317-S320 WeakPolarHBondContact CD2-O 3.36Å; F317-S320 PolarHBondContact N-O 3.48Å; F317-S320 PolarHBondContact O-N 3.11Å; F317-S320 VanDerWaalsContact O-O 3.11Å
321	T	63.6	Low	63.9	Low	67 Å²	67	42.2 Å²	42.2	41%	0.411	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121	173.1	-45.5	0	0	0	0	110.9	G248 L314 P316 A323	G248-T321 WeakPolarHBondContact CA-O 3.37Å; L314-T321 HydrophobicContact CB-CG2 4.26Å; L314-T321 HydrophobicContact CD2-CG2 3.58Å; L314-T321 HydrophobicContact CG-CG2 4.48Å; P316-T321 HydrophobicContact CB-CG2 4.3Å; T321-A323 PolarHBondContact O-N 3.05Å
322	L	74.1	Confident	65.2	Low	5 Å²	5	37.6 Å²	37.6	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	106.9	166.1	172.9	67.1	0	0	0	109.2	K244 F271 L278 Y280 M292 C315 F317 I324	K244-L322 HydrophobicContact CD-CD1 3.69Å; K244-L322 VanDerWaalsContact CE-CD1 3.4Å; K244-L322 HydrophobicContact CG-CD1 3.75Å; F271-L322 HydrophobicContact CE1-CD2 3.8Å; F271-L322 HydrophobicContact CZ-CD1 4.4Å; F271-L322 HydrophobicContact CZ-CD2 4.33Å; L278-L322 HydrophobicContact CD2-CD2 4.5Å; Y280-L322 HydrophobicContact CE1-CD1 4.21Å; M292-L322 HydrophobicContact CE-CD2 3.62Å; M292-L322 HydrophobicContact SD-CD2 3.57Å; M292-L322 VanDerWaalsContact SD-CD2 3.57Å; C315-L322 HydrophobicContact CB-CB 4.28Å; C315-L322 HydrophobicContact CB-CD2 4.43Å; C315-L322 PolarHBondContact N-O 2.82Å; C315-L322 PolarHBondContact O-N 3Å; F317-L322 HydrophobicContact CD2-CB 4.4Å; F317-L322 HydrophobicContact CE2-CB 3.75Å; L322-I324 HydrophobicContact CD1-CG1 4.38Å; L322-I324 HydrophobicContact CD2-CD1 3.83Å; L322-I324 HydrophobicContact CD2-CG1 3.98Å; L322-I324 HydrophobicContact CG-CD1 4.2Å; L322-I324 HydrophobicContact CG-CG1 3.79Å
323	A	76	Confident	66.6	Low	9 Å²	9	39.5 Å²	39.5	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.9	170.9	0	0	0	0	0	110.9	R245 W266 L314 T321	R245-A323 HydrophobicContact CB-CB 3.94Å; R245-A323 PolarHBondContact N-O 2.97Å; R245-A323 VanDerWaalsContact N-O 3.1Å; W266-A323 HydrophobicContact CH2-CB 3.96Å; W266-A323 HydrophobicContact CZ3-CB 4.41Å; W266-A323 WeakPolarHBondContact CZ3-O 3.16Å; L314-A323 HydrophobicContact CD2-CB 3.58Å; T321-A323 PolarHBondContact O-N 3.05Å
324	I	79.7	Confident	68.1	Low	4 Å²	4	40.7 Å²	40.7	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.8	176.7	-44.6	179.3	0	0	0	108.9	L242 K243 F271 L278 T313 L322	L242-I324 HydrophobicContact CB-CG2 3.64Å; L242-I324 HydrophobicContact CD1-CG2 3.46Å; L242-I324 VanDerWaalsContact CD1-CG2 3.46Å; L242-I324 HydrophobicContact CG-CG2 4.13Å; K243-I324 CarbonylContact O-C 3.57Å; K243-I324 WeakPolarHBondContact O-CA 3.37Å; F271-I324 HydrophobicContact CD1-CD1 4.22Å; F271-I324 HydrophobicContact CE1-CD1 3.78Å; F271-I324 HydrophobicContact CE1-CG1 4.32Å; F271-I324 HydrophobicContact CE2-CG2 4.33Å; F271-I324 HydrophobicContact CZ-CD1 4.05Å; F271-I324 HydrophobicContact CZ-CG1 4.12Å; F271-I324 HydrophobicContact CZ-CG2 4.47Å; L278-I324 HydrophobicContact CD2-CD1 4.47Å; T313-I324 PolarHBondContact N-O 3.09Å; T313-I324 WeakPolarHBondContact O-CA 3.26Å; T313-I324 WeakPolarHBondContact O-CB 3.14Å; T313-I324 PolarHBondContact O-N 2.68Å; T313-I324 VanDerWaalsContact O-O 3.12Å; L322-I324 HydrophobicContact CD1-CG1 4.38Å; L322-I324 HydrophobicContact CD2-CD1 3.83Å; L322-I324 HydrophobicContact CD2-CG1 3.98Å; L322-I324 HydrophobicContact CG-CD1 4.2Å; L322-I324 HydrophobicContact CG-CG1 3.79Å
325	K	81.1	Confident	69.7	Low	54 Å²	54	40.2 Å²	40.2	24%	0.235	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.3	-178.2	164.8	168.8	174.2	162.1	0	109.8	K243 W266 P310	K243-K325 HydrophobicContact CB-CB 3.94Å; K243-K325 HydrophobicContact CB-CD 4.46Å; K243-K325 HydrophobicContact CB-CG 4.2Å; K243-K325 HydrophobicContact CD-CD 4.45Å; K243-K325 PolarHBondContact N-O 3.42Å; K243-K325 PolarHBondContact O-N 3.07Å; W266-K325 HydrophobicContact CD2-CB 4.25Å; W266-K325 HydrophobicContact CD2-CD 3.83Å; W266-K325 HydrophobicContact CE3-CB 3.59Å; W266-K325 HydrophobicContact CE3-CD 4.02Å; W266-K325 HydrophobicContact CE3-CG 4.46Å; W266-K325 HydrophobicContact CG-CD 4.27Å; W266-K325 HydrophobicContact CH2-CB 3.72Å; W266-K325 HydrophobicContact CH2-CD 4.41Å; W266-K325 HydrophobicContact CZ2-CB 4.35Å; W266-K325 HydrophobicContact CZ2-CD 4.23Å; W266-K325 HydrophobicContact CZ3-CB 3.3Å; W266-K325 HydrophobicContact CZ3-CD 4.32Å; W266-K325 HydrophobicContact CZ3-CG 4.48Å; P310-K325 HydrophobicContact CB-CD 4.07Å; P310-K325 HydrophobicContact CB-CG 4.01Å; P310-K325 HydrophobicContact CG-CD 3.72Å; P310-K325 HydrophobicContact CG-CG 4.22Å
326	C	80.1	Confident	71.2	Confident	7 Å²	7	42.6 Å²	42.6	5%	0.047	22%	0.215	C	C	.	.			trans	-93.1	165.3	-177.9	-69.8	0	0	0	0	111.2	Y311 D331 A332	Y311-C326 PolarHBondContact O-N 3.38Å; C326-D331 HydrophobicContact CB-CB 3.96Å; C326-A332 HydrophobicContact CB-CB 3.99Å
327	K	76.1	Confident	73.2	Confident	140 Å²	140	48.9 Å²	48.9	61%	0.609	24%	0.237	S	C	*	.	S	Bend	trans	-79.6	-33.8	-179.3	-63.6	173.9	-176.7	170.1	0	112.1	D331	K327-D331 WeakPolarHBondContact CB-OD2 3.34Å
328	T	74	Confident	74.9	Confident	16 Å²	16	48.5 Å²	48.5	10%	0.098	24%	0.24	C	C	.	.	S	Bend	trans	-137.3	169.3	-178.9	66.3	0	0	0	0	111.5	E330 D331 A332	T328-E330 VanDerWaalsContact C-N 3.32Å; T328-E330 WeakPolarHBondContact CB-OE2 3.36Å; T328-E330 PolarHBondContact OG1-OE2 3.47Å; T328-D331 WeakPolarHBondContact CB-OD2 3.31Å; T328-D331 PolarHBondContact N-OD2 3.09Å; T328-D331 PolarHBondContact O-N 3.41Å; T328-D331 WeakPolarHBondContact OG1-CB 3.31Å; T328-D331 PolarHBondContact OG1-N 3.05Å; T328-D331 PolarHBondContact OG1-OD2 2.92Å; T328-A332 PolarHBondContact O-N 2.84Å
329	K	73.6	Confident	77.1	Confident	73 Å²	73	44.5 Å²	44.5	32%	0.317	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-39.1	174.9	-170.4	173.9	171.8	168.9	0	110.3	E304 Y311 D331 A332 L333	E304-K329 VanDerWaalsContact OE1-CE 3.26Å; E304-K329 WeakPolarHBondContact OE1-CE 3.32Å; E304-K329 IonicContact OE1-NZ 2.69Å; E304-K329 PolarHBondContact OE1-NZ 3.07Å; Y311-K329 HydrophobicContact CD1-CB 3.68Å; Y311-K329 HydrophobicContact CD1-CD 4.22Å; Y311-K329 HydrophobicContact CD1-CG 3.83Å; Y311-K329 HydrophobicContact CD2-CB 3.94Å; Y311-K329 HydrophobicContact CE1-CB 3.62Å; Y311-K329 HydrophobicContact CE1-CD 3.91Å; Y311-K329 HydrophobicContact CE1-CG 3.93Å; Y311-K329 HydrophobicContact CE2-CB 3.87Å; Y311-K329 HydrophobicContact CG-CB 3.84Å; Y311-K329 HydrophobicContact CG-CG 4.34Å; K329-D331 VanDerWaalsContact C-N 3.31Å; K329-D331 PolarHBondContact O-N 3.28Å; K329-A332 WeakPolarHBondContact O-CB 3.44Å; K329-A332 PolarHBondContact O-N 3.28Å; K329-A332 VanDerWaalsContact O-N 3.12Å; K329-L333 HydrophobicContact CG-CD1 3.99Å; K329-L333 HydrophobicContact CG-CG 4.48Å; K329-L333 WeakPolarHBondContact O-CG 3.37Å; K329-L333 PolarHBondContact O-N 3Å
330	E	75.7	Confident	79	Confident	71 Å²	71	42.8 Å²	42.8	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-38	177.2	-53.1	73.3	-109.6	0	0	111.7	R63 T328 A334	R63-E330 IonicContact CZ-OE2 3.96Å; R63-E330 IonicContact NH1-OE2 2.85Å; R63-E330 PolarHBondContact NH1-OE2 2.89Å; R63-E330 IonicContact NH2-OE2 2.66Å; R63-E330 PolarHBondContact NH2-OE2 2.87Å; T328-E330 VanDerWaalsContact C-N 3.32Å; T328-E330 WeakPolarHBondContact CB-OE2 3.36Å; T328-E330 PolarHBondContact OG1-OE2 3.47Å; E330-A334 VanDerWaalsContact O-CB 3.24Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 3.25Å
331	D	78.9	Confident	80.6	Confident	44 Å²	44	44.6 Å²	44.6	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-42.9	173	-65.5	-45.3	0	0	0	111.5	C326 K327 T328 K329 A334 W335	C326-D331 HydrophobicContact CB-CB 3.96Å; K327-D331 WeakPolarHBondContact CB-OD2 3.34Å; T328-D331 WeakPolarHBondContact CB-OD2 3.31Å; T328-D331 PolarHBondContact N-OD2 3.09Å; T328-D331 PolarHBondContact O-N 3.41Å; T328-D331 WeakPolarHBondContact OG1-CB 3.31Å; T328-D331 PolarHBondContact OG1-N 3.05Å; T328-D331 PolarHBondContact OG1-OD2 2.92Å; K329-D331 VanDerWaalsContact C-N 3.31Å; K329-D331 PolarHBondContact O-N 3.28Å; D331-A334 PolarHBondContact O-N 3.47Å; D331-W335 VanDerWaalsContact O-CD1 3.3Å; D331-W335 PolarHBondContact O-N 3.29Å
332	A	80.6	Confident	81.7	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-45.2	178.1	0	0	0	0	0	111.5	L302 C326 T328 K329 A334 W335 E336	L302-A332 HydrophobicContact CD2-CB 3.77Å; C326-A332 HydrophobicContact CB-CB 3.99Å; T328-A332 PolarHBondContact O-N 2.84Å; K329-A332 WeakPolarHBondContact O-CB 3.44Å; K329-A332 PolarHBondContact O-N 3.28Å; K329-A332 VanDerWaalsContact O-N 3.12Å; A332-A334 VanDerWaalsContact C-N 3.3Å; A332-A334 PolarHBondContact O-N 3.32Å; A332-W335 PolarHBondContact O-N 2.97Å; A332-E336 WeakPolarHBondContact O-CB 3.46Å; A332-E336 PolarHBondContact O-N 2.9Å
333	L	83.6	Confident	82.1	Confident	61 Å²	61	42.6 Å²	42.6	32%	0.319	22%	0.216	S	C	.	.	H	α-helix	trans	-65.5	-28.6	173.1	-71.8	164.3	0	0	0	113	L302 K329 R337	L302-L333 HydrophobicContact CD1-CD2 3.57Å; L302-L333 HydrophobicContact CD1-CG 4.19Å; K329-L333 HydrophobicContact CG-CD1 3.99Å; K329-L333 HydrophobicContact CG-CG 4.48Å; K329-L333 WeakPolarHBondContact O-CG 3.37Å; K329-L333 PolarHBondContact O-N 3Å; L333-R337 VanDerWaalsContact O-CB 3.31Å; L333-R337 WeakPolarHBondContact O-CB 3.4Å; L333-R337 VanDerWaalsContact O-CG 3.24Å; L333-R337 WeakPolarHBondContact O-CG 3.34Å; L333-R337 PolarHBondContact O-N 3.3Å; L333-R337 VanDerWaalsContact O-N 3.14Å; L333-R337 PolarHBondContact O-NE 3.34Å
334	A	83.7	Confident	82.5	Confident	27 Å²	27	45.2 Å²	45.2	22%	0.223	23%	0.234	C	C	.	.	H	α-helix	trans	-75.5	-37.3	174.3	0	0	0	0	0	112	E330 D331 A332 A338	E330-A334 VanDerWaalsContact O-CB 3.24Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 3.25Å; D331-A334 PolarHBondContact O-N 3.47Å; A332-A334 VanDerWaalsContact C-N 3.3Å; A332-A334 PolarHBondContact O-N 3.32Å; A334-A338 VanDerWaalsContact O-CB 3.23Å; A334-A338 WeakPolarHBondContact O-CB 3.44Å; A334-A338 PolarHBondContact O-N 3.02Å
335	W	87.4	Confident	82.7	Confident	10 Å²	10	51.1 Å²	51.1	4%	0.038	26%	0.261	C	S	.	.	H	α-helix	trans	-69.6	-46.6	173.2	-86.3	102	0	0	0	112.4	K238 E239 L242 F271 L273 L278 D331 A332 A338 I339	K238-W335 HydrophobicContact CB-CE3 4.46Å; K238-W335 HydrophobicContact CB-CH2 4.37Å; K238-W335 HydrophobicContact CB-CZ3 4.25Å; K238-W335 HydrophobicContact CD-CD2 3.89Å; K238-W335 HydrophobicContact CD-CE3 4.32Å; K238-W335 HydrophobicContact CD-CG 4.13Å; K238-W335 HydrophobicContact CD-CZ2 4.4Å; K238-W335 HydrophobicContact CG-CD2 4.1Å; K238-W335 HydrophobicContact CG-CE3 4.22Å; K238-W335 HydrophobicContact CG-CH2 4Å; K238-W335 HydrophobicContact CG-CZ2 3.84Å; K238-W335 HydrophobicContact CG-CZ3 4.18Å; K238-W335 WeakPolarHBondContact O-CH2 3.26Å; E239-W335 WeakPolarHBondContact O-CZ2 3.33Å; L242-W335 HydrophobicContact CD1-CD2 3.96Å; L242-W335 HydrophobicContact CD1-CG 4.33Å; L242-W335 HydrophobicContact CD1-CH2 4.37Å; L242-W335 HydrophobicContact CD1-CZ2 3.77Å; L242-W335 HydrophobicContact CG-CZ2 4.32Å; F271-W335 HydrophobicContact CB-CH2 3.73Å; F271-W335 HydrophobicContact CB-CZ2 4.28Å; F271-W335 HydrophobicContact CB-CZ3 4.29Å; L273-W335 HydrophobicContact CB-CZ3 4.3Å; L278-W335 HydrophobicContact CD1-CZ3 4.12Å; D331-W335 VanDerWaalsContact O-CD1 3.3Å; D331-W335 PolarHBondContact O-N 3.29Å; A332-W335 PolarHBondContact O-N 2.97Å; W335-A338 PolarHBondContact O-N 2.87Å; W335-I339 HydrophobicContact CE3-CD1 4.34Å; W335-I339 WeakPolarHBondContact O-CD1 3.48Å; W335-I339 VanDerWaalsContact O-CG1 3.22Å; W335-I339 WeakPolarHBondContact O-CG1 3.41Å; W335-I339 PolarHBondContact O-N 2.73Å
336	E	85.6	Confident	82.5	Confident	51 Å²	51	50.6 Å²	50.6	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-55.6	-55	174.1	-178.8	-163.9	-125.2	0	0	110.9	V300 L302 A332 A338 I339 S340	V300-E336 HydrophobicContact CG1-CB 4.49Å; V300-E336 HydrophobicContact CG1-CG 4.21Å; L302-E336 HydrophobicContact CD1-CB 4.19Å; L302-E336 HydrophobicContact CD1-CG 4.32Å; L302-E336 WeakPolarHBondContact CD1-OE1 3.39Å; L302-E336 VanDerWaalsContact CD1-OE2 3.28Å; L302-E336 WeakPolarHBondContact CD1-OE2 3.42Å; L302-E336 HydrophobicContact CD2-CB 4.43Å; L302-E336 HydrophobicContact CG-CB 4.22Å; L302-E336 HydrophobicContact CG-CG 4.31Å; L302-E336 WeakPolarHBondContact CG-OE1 3.46Å; A332-E336 WeakPolarHBondContact O-CB 3.46Å; A332-E336 PolarHBondContact O-N 2.9Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 2.8Å; E336-I339 PolarHBondContact O-N 3.11Å; E336-S340 WeakPolarHBondContact O-CB 3.48Å; E336-S340 PolarHBondContact O-N 2.86Å; E336-S340 PolarHBondContact O-OG 2.77Å; E336-S340 VanDerWaalsContact O-OG 3.13Å
337	R	87.9	Confident	82.3	Confident	151 Å²	151	50.2 Å²	50.2	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-57.5	-44.4	178.3	-75.1	-178.9	-65.1	156.4	-1.8	112.4	L333 I339 S340 T341	L333-R337 VanDerWaalsContact O-CB 3.31Å; L333-R337 WeakPolarHBondContact O-CB 3.4Å; L333-R337 VanDerWaalsContact O-CG 3.24Å; L333-R337 WeakPolarHBondContact O-CG 3.34Å; L333-R337 PolarHBondContact O-N 3.3Å; L333-R337 VanDerWaalsContact O-N 3.14Å; L333-R337 PolarHBondContact O-NE 3.34Å; R337-I339 PolarHBondContact O-N 2.7Å; R337-S340 PolarHBondContact O-N 2.94Å; R337-T341 WeakPolarHBondContact O-CB 3.31Å; R337-T341 PolarHBondContact O-N 2.84Å; R337-T341 PolarHBondContact O-OG1 3.42Å
338	A	88.7	Confident	82.4	Confident	24 Å²	24	49.3 Å²	49.3	20%	0.198	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-45.2	179	0	0	0	0	0	112.1	K238 L273 A334 W335 E336 A342	K238-A338 HydrophobicContact CB-CB 3.75Å; K238-A338 HydrophobicContact CD-CB 4.03Å; L273-A338 VanDerWaalsContact CD2-C 3.44Å; L273-A338 HydrophobicContact CD2-CB 3.85Å; L273-A338 WeakPolarHBondContact CD2-O 3.32Å; A334-A338 VanDerWaalsContact O-CB 3.23Å; A334-A338 WeakPolarHBondContact O-CB 3.44Å; A334-A338 PolarHBondContact O-N 3.02Å; W335-A338 PolarHBondContact O-N 2.87Å; E336-A338 VanDerWaalsContact C-N 3.34Å; E336-A338 PolarHBondContact O-N 2.8Å; A338-A342 PolarHBondContact O-N 3.23Å
339	I	87.5	Confident	82.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-48.5	178.4	-59.5	161	0	0	0	110.1	L273 L278 F298 V300 W335 E336 R337 T341 A342 V343	L273-I339 HydrophobicContact CD1-CB 4.47Å; L273-I339 HydrophobicContact CD1-CG1 3.96Å; L273-I339 HydrophobicContact CD1-CG2 4.47Å; L273-I339 HydrophobicContact CD2-CG1 4.06Å; L278-I339 HydrophobicContact CD2-CD1 4.22Å; F298-I339 HydrophobicContact CE1-CG2 3.59Å; F298-I339 HydrophobicContact CZ-CG2 3.9Å; V300-I339 HydrophobicContact CG2-CB 4.13Å; V300-I339 HydrophobicContact CG2-CD1 4.34Å; V300-I339 HydrophobicContact CG2-CG2 3.53Å; W335-I339 HydrophobicContact CE3-CD1 4.34Å; W335-I339 WeakPolarHBondContact O-CD1 3.48Å; W335-I339 VanDerWaalsContact O-CG1 3.22Å; W335-I339 WeakPolarHBondContact O-CG1 3.41Å; W335-I339 PolarHBondContact O-N 2.73Å; E336-I339 PolarHBondContact O-N 3.11Å; R337-I339 PolarHBondContact O-N 2.7Å; I339-T341 VanDerWaalsContact C-N 3.3Å; I339-T341 PolarHBondContact O-N 2.91Å; I339-A342 WeakPolarHBondContact O-CB 3.31Å; I339-A342 PolarHBondContact O-N 2.88Å; I339-V343 HydrophobicContact CG2-CG2 4Å; I339-V343 WeakPolarHBondContact O-CB 3.37Å; I339-V343 VanDerWaalsContact O-CG2 3.25Å; I339-V343 WeakPolarHBondContact O-CG2 3.4Å; I339-V343 PolarHBondContact O-N 3.45Å
340	S	86.8	Confident	82.1	Confident	55 Å²	55	48.8 Å²	48.8	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-34.6	178.4	-64.3	0	0	0	0	113	E336 R337 S344	E336-S340 WeakPolarHBondContact O-CB 3.48Å; E336-S340 PolarHBondContact O-N 2.86Å; E336-S340 PolarHBondContact O-OG 2.77Å; E336-S340 VanDerWaalsContact O-OG 3.13Å; R337-S340 PolarHBondContact O-N 2.94Å; S340-S344 VanDerWaalsContact O-CB 3.24Å; S340-S344 WeakPolarHBondContact O-CB 3.46Å; S340-S344 PolarHBondContact O-N 3.1Å; S340-S344 PolarHBondContact O-OG 3.25Å
341	T	88.6	Confident	82	Confident	66 Å²	66	47.5 Å²	47.5	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-67.5	-43.3	171.4	-63.8	0	0	0	0	111.5	R337 I339 S344 H345	R337-T341 WeakPolarHBondContact O-CB 3.31Å; R337-T341 PolarHBondContact O-N 2.84Å; R337-T341 PolarHBondContact O-OG1 3.42Å; I339-T341 VanDerWaalsContact C-N 3.3Å; I339-T341 PolarHBondContact O-N 2.91Å; T341-S344 WeakPolarHBondContact CA-OG 3.45Å; T341-S344 PolarHBondContact O-N 3.05Å; T341-S344 PolarHBondContact O-OG 2.97Å; T341-H345 WeakPolarHBondContact O-CB 3.46Å; T341-H345 PolarHBondContact O-N 2.72Å; T341-H345 VanDerWaalsContact O-N 3.08Å; T341-H345 PolarHBondContact O-ND1 2.87Å
342	A	86.1	Confident	81.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-47.9	176.3	0	0	0	0	0	111.5	L273 F294 A338 I339 S344 H345 T346 G347	L273-A342 HydrophobicContact CD1-CB 4.35Å; L273-A342 HydrophobicContact CD2-CB 4.18Å; L273-A342 HydrophobicContact CG-CB 4.37Å; F294-A342 HydrophobicContact CE2-CB 3.79Å; F294-A342 HydrophobicContact CZ-CB 3.97Å; A338-A342 PolarHBondContact O-N 3.23Å; I339-A342 WeakPolarHBondContact O-CB 3.31Å; I339-A342 PolarHBondContact O-N 2.88Å; A342-S344 PolarHBondContact O-N 2.73Å; A342-H345 PolarHBondContact O-N 2.67Å; A342-T346 PolarHBondContact O-N 3.01Å; A342-T346 VanDerWaalsContact O-N 3.11Å; A342-T346 PolarHBondContact O-OG1 3.09Å; A342-G347 PolarHBondContact O-N 3.28Å
343	V	83.2	Confident	81.4	Confident	30 Å²	30	54.9 Å²	54.9	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-45.1	175	165	0	0	0	0	112	F294 F298 I339 G347 K348 L351	F294-V343 HydrophobicContact CD1-CG2 3.96Å; F294-V343 HydrophobicContact CD2-CG2 4.2Å; F294-V343 HydrophobicContact CE1-CG2 4.03Å; F294-V343 HydrophobicContact CE2-CG2 4.25Å; F294-V343 HydrophobicContact CG-CG2 4.07Å; F294-V343 HydrophobicContact CZ-CG2 4.18Å; F298-V343 HydrophobicContact CD1-CG2 3.95Å; F298-V343 HydrophobicContact CE1-CG2 3.88Å; I339-V343 HydrophobicContact CG2-CG2 4Å; I339-V343 WeakPolarHBondContact O-CB 3.37Å; I339-V343 VanDerWaalsContact O-CG2 3.25Å; I339-V343 WeakPolarHBondContact O-CG2 3.4Å; I339-V343 PolarHBondContact O-N 3.45Å; V343-G347 CarbonylContact O-C 3.43Å; V343-K348 PolarHBondContact O-N 3.43Å; V343-L351 HydrophobicContact CB-CD1 4.27Å; V343-L351 HydrophobicContact CG1-CD1 3.45Å; V343-L351 VanDerWaalsContact CG1-CD1 3.45Å; V343-L351 WeakPolarHBondContact O-CD1 3.17Å
344	S	83.7	Confident	81.5	Confident	63 Å²	63	52.7 Å²	52.7	44%	0.441	28%	0.282	S	S	.	.	H	α-helix	trans	-78.7	-19.8	-177.7	55.5	0	0	0	0	115.2	S340 T341 A342	S340-S344 VanDerWaalsContact O-CB 3.24Å; S340-S344 WeakPolarHBondContact O-CB 3.46Å; S340-S344 PolarHBondContact O-N 3.1Å; S340-S344 PolarHBondContact O-OG 3.25Å; T341-S344 WeakPolarHBondContact CA-OG 3.45Å; T341-S344 PolarHBondContact O-N 3.05Å; T341-S344 PolarHBondContact O-OG 2.97Å; A342-S344 PolarHBondContact O-N 2.73Å
345	H	83.8	Confident	81.7	Confident	129 Å²	129	53.2 Å²	53.2	60%	0.597	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-86.2	179	-68	61	0	0	0	110.7	T341 A342 K348	T341-H345 WeakPolarHBondContact O-CB 3.46Å; T341-H345 PolarHBondContact O-N 2.72Å; T341-H345 VanDerWaalsContact O-N 3.08Å; T341-H345 PolarHBondContact O-ND1 2.87Å; A342-H345 PolarHBondContact O-N 2.67Å; H345-K348 WeakPolarHBondContact O-CB 3.48Å; H345-K348 PolarHBondContact O-N 3.35Å
346	T	77.5	Confident	81.9	Confident	42 Å²	42	55.9 Å²	55.9	26%	0.258	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.3	-174.7	43.6	0	0	0	0	112.9	R237 D275 A342 K348	R237-T346 PolarHBondContact NH2-OG1 3.1Å; D275-T346 WeakPolarHBondContact CA-OG1 3.22Å; D275-T346 HydrophobicContact CB-CG2 4.06Å; D275-T346 VanDerWaalsContact O-CB 3.24Å; D275-T346 WeakPolarHBondContact O-CB 3.42Å; D275-T346 PolarHBondContact O-OG1 3.18Å; A342-T346 PolarHBondContact O-N 3.01Å; A342-T346 VanDerWaalsContact O-N 3.11Å; A342-T346 PolarHBondContact O-OG1 3.09Å; T346-K348 VanDerWaalsContact C-N 3.3Å; T346-K348 PolarHBondContact O-N 2.87Å
347	G	75	Confident	82	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.1	173.5	0	0	0	0	0	114.3	A342 V343 E349 F350 L351	A342-G347 PolarHBondContact O-N 3.28Å; V343-G347 CarbonylContact O-C 3.43Å; G347-E349 PolarHBondContact O-N 3.22Å; G347-E349 VanDerWaalsContact O-N 3.12Å; G347-F350 PolarHBondContact O-N 2.8Å; G347-L351 WeakPolarHBondContact O-CD1 3.5Å; G347-L351 VanDerWaalsContact O-CG 3.28Å; G347-L351 WeakPolarHBondContact O-CG 3.26Å; G347-L351 PolarHBondContact O-N 2.95Å
348	K	79.5	Confident	82	Confident	120 Å²	120	48 Å²	48	52%	0.522	28%	0.275	S	S	.	.	H	α-helix	trans	-57.5	-35.1	-169.3	-175.1	-179.2	172.5	-174.1	0	112.9	V343 H345 T346 F350 L351 Q352	V343-K348 PolarHBondContact O-N 3.43Å; H345-K348 WeakPolarHBondContact O-CB 3.48Å; H345-K348 PolarHBondContact O-N 3.35Å; T346-K348 VanDerWaalsContact C-N 3.3Å; T346-K348 PolarHBondContact O-N 2.87Å; K348-F350 PolarHBondContact O-N 2.95Å; K348-L351 PolarHBondContact O-N 2.83Å; K348-L351 VanDerWaalsContact O-N 3.14Å; K348-Q352 WeakPolarHBondContact O-CB 3.41Å; K348-Q352 WeakPolarHBondContact O-CG 3.37Å; K348-Q352 PolarHBondContact O-N 3.38Å
349	E	71.9	Confident	81.3	Confident	64 Å²	64	47.9 Å²	47.9	30%	0.299	27%	0.272	S	S	.	.	H	α-helix	trans	-64.9	-23.4	-178.7	71.6	-177.1	141.9	0	0	113.8	G347 N354 P361 R363	G347-E349 PolarHBondContact O-N 3.22Å; G347-E349 VanDerWaalsContact O-N 3.12Å; E349-N354 PolarHBondContact O-ND2 3.47Å; E349-N354 PolarHBondContact O-OD1 2.8Å; E349-P361 HydrophobicContact CB-CB 4.1Å; E349-P361 HydrophobicContact CB-CG 4.07Å; E349-P361 HydrophobicContact CG-CG 4.08Å; E349-P361 WeakPolarHBondContact OE2-CG 3.32Å; E349-R363 IonicContact OE2-NH1 3.12Å; E349-R363 PolarHBondContact OE2-NH1 3.21Å
350	F	69.3	Low	80.9	Confident	14 Å²	14	48.9 Å²	48.9	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-97.8	-10.9	175.1	-47.9	-74.9	0	0	0	113.6	T276 F294 P296 G347 K348 P361 E672	T276-F350 HydrophobicContact CG2-CD2 4.22Å; T276-F350 HydrophobicContact CG2-CE2 3.43Å; T276-F350 VanDerWaalsContact CG2-CE2 3.43Å; T276-F350 HydrophobicContact CG2-CZ 4.14Å; F294-F350 WeakPolarHBondContact O-CB 3.49Å; P296-F350 WeakPolarHBondContact CD-O 3.46Å; G347-F350 PolarHBondContact O-N 2.8Å; K348-F350 PolarHBondContact O-N 2.95Å; F350-P361 HydrophobicContact CE1-CG 4.35Å; F350-E672 VanDerWaalsContact CE1-OE2 3.25Å; F350-E672 WeakPolarHBondContact CE1-OE2 3.48Å; F350-E672 VanDerWaalsContact CZ-CD 3.42Å; F350-E672 VanDerWaalsContact CZ-OE1 3.32Å; F350-E672 WeakPolarHBondContact CZ-OE1 3.31Å; F350-E672 WeakPolarHBondContact CZ-OE2 3.46Å
351	L	73.2	Confident	80.5	Confident	45 Å²	45	46.6 Å²	46.6	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-101	-27.9	-176.1	-62.5	170.6	0	0	0	112.4	F294 D295 V343 G347 K348	F294-L351 HydrophobicContact CB-CD2 4.47Å; D295-L351 WeakPolarHBondContact O-CD2 3.31Å; V343-L351 HydrophobicContact CB-CD1 4.27Å; V343-L351 HydrophobicContact CG1-CD1 3.45Å; V343-L351 VanDerWaalsContact CG1-CD1 3.45Å; V343-L351 WeakPolarHBondContact O-CD1 3.17Å; G347-L351 WeakPolarHBondContact O-CD1 3.5Å; G347-L351 VanDerWaalsContact O-CG 3.28Å; G347-L351 WeakPolarHBondContact O-CG 3.26Å; G347-L351 PolarHBondContact O-N 2.95Å; K348-L351 PolarHBondContact O-N 2.83Å; K348-L351 VanDerWaalsContact O-N 3.14Å
352	Q	72.4	Confident	80.3	Confident	88 Å²	88	46 Å²	46	41%	0.411	26%	0.257	S	S	.	.	S	Bend	trans	-72.5	156	173.3	71.8	-171.6	11.5	0	0	111.6	K348 N354	K348-Q352 WeakPolarHBondContact O-CB 3.41Å; K348-Q352 WeakPolarHBondContact O-CG 3.37Å; K348-Q352 PolarHBondContact O-N 3.38Å; Q352-N354 WeakPolarHBondContact CG-OD1 3.34Å; Q352-N354 PolarHBondContact NE2-OD1 3.47Å; Q352-N354 PolarHBondContact O-N 3.16Å; Q352-N354 VanDerWaalsContact O-N 3.14Å; Q352-N354 PolarHBondContact O-ND2 3.02Å
353	S	75	Confident	79.9	Confident	113 Å²	113	47.7 Å²	47.7	79%	0.79	26%	0.263	S	S	*	.			trans	-72.1	105.5	168.8	-180	0	0	0	0	109.6
354	N	85.5	Confident	79.7	Confident	14 Å²	14	51.3 Å²	51.3	8%	0.075	28%	0.279	C	S	.	.			trans	-80.5	176.3	173.8	-61.4	-63.3	0	0	0	111.7	E349 Q352 Y356 G357 S358 T359 Y360 P361	E349-N354 PolarHBondContact O-ND2 3.47Å; E349-N354 PolarHBondContact O-OD1 2.8Å; Q352-N354 WeakPolarHBondContact CG-OD1 3.34Å; Q352-N354 PolarHBondContact NE2-OD1 3.47Å; Q352-N354 PolarHBondContact O-N 3.16Å; Q352-N354 VanDerWaalsContact O-N 3.14Å; Q352-N354 PolarHBondContact O-ND2 3.02Å; N354-Y356 PolarHBondContact O-N 3.32Å; N354-G357 WeakPolarHBondContact O-CA 3.38Å; N354-G357 PolarHBondContact O-N 2.94Å; N354-S358 WeakPolarHBondContact CB-O 3.21Å; N354-T359 PolarHBondContact ND2-O 3.13Å; N354-Y360 WeakPolarHBondContact CB-O 3.26Å; N354-P361 WeakPolarHBondContact OD1-CA 3.4Å
355	A	86.4	Confident	79.1	Confident	38 Å²	38	54.3 Å²	54.3	31%	0.314	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-51.3	137.2	-178.2	0	0	0	0	0	112.1	G357 S358 V362 K707	A355-G357 PolarHBondContact O-N 2.82Å; A355-G357 VanDerWaalsContact O-N 3.07Å; A355-S358 WeakPolarHBondContact O-CB 3.23Å; A355-S358 PolarHBondContact O-N 3.33Å; A355-V362 HydrophobicContact CB-CG2 4.48Å; A355-K707 HydrophobicContact CB-CD 4.14Å
356	Y	92.3	Very high	78.5	Confident	66 Å²	66	48.3 Å²	48.3	26%	0.259	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	54.6	23	-176.2	-48.7	-72.3	0	0	0	114.3	N354 S358 L709 R728 A729 I893	N354-Y356 PolarHBondContact O-N 3.32Å; Y356-S358 VanDerWaalsContact C-N 3.25Å; Y356-S358 PolarHBondContact O-N 3.26Å; Y356-L709 HydrophobicContact CD2-CD2 4.39Å; Y356-R728 WeakPolarHBondContact CD1-O 3.41Å; Y356-R728 VanDerWaalsContact O-CZ 3.3Å; Y356-R728 PolarHBondContact O-NE 3.2Å; Y356-R728 PolarHBondContact O-NH2 3.15Å; Y356-A729 HydrophobicContact CD1-CB 4.25Å; Y356-A729 HydrophobicContact CD2-CB 3.91Å; Y356-A729 HydrophobicContact CE2-CB 4.32Å; Y356-A729 HydrophobicContact CG-CB 3.87Å; Y356-I893 HydrophobicContact CD2-CD1 3.72Å; Y356-I893 HydrophobicContact CE2-CD1 3.33Å
357	G	88.4	Confident	78.3	Confident	28 Å²	28	50.6 Å²	50.6	29%	0.289	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	60.9	34.3	-174.5	0	0	0	0	0	112.6	N354 A355 R728	N354-G357 WeakPolarHBondContact O-CA 3.38Å; N354-G357 PolarHBondContact O-N 2.94Å; A355-G357 PolarHBondContact O-N 2.82Å; A355-G357 VanDerWaalsContact O-N 3.07Å; G357-R728 PolarHBondContact O-NH2 2.89Å
358	S	86.5	Confident	78.2	Confident	8 Å²	8	50.6 Å²	50.6	6%	0.056	27%	0.267	C	S	.	.			trans	-67.8	149.1	169.7	-175.3	0	0	0	0	110.7	N354 A355 Y356 Y360 L708 E723	N354-S358 WeakPolarHBondContact CB-O 3.21Å; A355-S358 WeakPolarHBondContact O-CB 3.23Å; A355-S358 PolarHBondContact O-N 3.33Å; Y356-S358 VanDerWaalsContact C-N 3.25Å; Y356-S358 PolarHBondContact O-N 3.26Å; S358-Y360 PolarHBondContact O-N 3.42Å; S358-Y360 PolarHBondContact OG-N 3.31Å; S358-L708 PolarHBondContact OG-O 2.98Å; S358-E723 WeakPolarHBondContact CA-OE1 3.13Å
359	T	74.9	Confident	78.5	Confident	23 Å²	23	45.9 Å²	45.9	14%	0.141	25%	0.247	C	C	.	.	S	Bend	trans	-69.8	-19	166.1	-59.1	0	0	0	0	111.6	N354 R710 E723	N354-T359 PolarHBondContact ND2-O 3.13Å; T359-R710 PolarHBondContact OG1-NH2 3.38Å; T359-E723 WeakPolarHBondContact CB-OE2 3.32Å; T359-E723 PolarHBondContact N-OE1 2.75Å; T359-E723 PolarHBondContact N-OE2 2.95Å; T359-E723 PolarHBondContact OG1-OE2 3.45Å
360	Y	78.9	Confident	79.3	Confident	20 Å²	20	45.8 Å²	45.8	8%	0.078	24%	0.244	C	C	.	.	S	Bend	trans	-102.1	138.4	-171.6	-55.1	-79.8	0	0	0	112.5	N354 S358 N673 T676 L708 R710	N354-Y360 WeakPolarHBondContact CB-O 3.26Å; S358-Y360 PolarHBondContact O-N 3.42Å; S358-Y360 PolarHBondContact OG-N 3.31Å; Y360-N673 WeakPolarHBondContact CD1-OD1 3.4Å; Y360-N673 VanDerWaalsContact CE1-OD1 3.32Å; Y360-N673 WeakPolarHBondContact CE1-OD1 3.45Å; Y360-T676 WeakPolarHBondContact OH-CG2 3.49Å; Y360-L708 HydrophobicContact CD1-CD2 4.33Å; Y360-L708 HydrophobicContact CD2-CB 4.13Å; Y360-L708 HydrophobicContact CD2-CD2 3.65Å; Y360-L708 HydrophobicContact CD2-CG 4.35Å; Y360-L708 HydrophobicContact CE1-CD2 4.32Å; Y360-L708 HydrophobicContact CE2-CD2 3.65Å; Y360-L708 HydrophobicContact CG-CB 4.15Å; Y360-L708 HydrophobicContact CG-CD2 4.01Å; Y360-R710 HydrophobicContact CE2-CG 4.32Å
361	P	79	Confident	80.4	Confident	8 Å²	8	45.5 Å²	45.5	5%	0.052	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-71.1	162.6	173.5	31.8	-36.5	0	0	0	111.9	E349 F350 N354 R363	E349-P361 HydrophobicContact CB-CB 4.1Å; E349-P361 HydrophobicContact CB-CG 4.07Å; E349-P361 HydrophobicContact CG-CG 4.08Å; E349-P361 WeakPolarHBondContact OE2-CG 3.32Å; F350-P361 HydrophobicContact CE1-CG 4.35Å; N354-P361 WeakPolarHBondContact OD1-CA 3.4Å; P361-R363 PolarHBondContact O-N 3.48Å
362	V	83.9	Confident	81.2	Confident	54 Å²	54	43.5 Å²	43.5	33%	0.327	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.7	169.8	-176.6	0	0	0	0	108.7	A355 M364 K707	A355-V362 HydrophobicContact CB-CG2 4.48Å; V362-M364 HydrophobicContact CG1-SD 3.82Å; V362-K707 HydrophobicContact CB-CG 4.43Å; V362-K707 HydrophobicContact CG1-CG 4.05Å; V362-K707 HydrophobicContact CG2-CD 3.97Å; V362-K707 HydrophobicContact CG2-CG 3.97Å
363	R	78.2	Confident	82.1	Confident	35 Å²	35	39.4 Å²	39.4	13%	0.132	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	125	173.7	-54.8	-55.3	-173	178.3	4.4	109.4	E349 P361 S366 E672 Y705 L706	E349-R363 IonicContact OE2-NH1 3.12Å; E349-R363 PolarHBondContact OE2-NH1 3.21Å; P361-R363 PolarHBondContact O-N 3.48Å; R363-S366 VanDerWaalsContact CB-OG 3.31Å; R363-S366 WeakPolarHBondContact CB-OG 3.38Å; R363-E672 IonicContact CZ-OE2 3.58Å; R363-E672 IonicContact NH1-OE2 3.6Å; R363-E672 IonicContact NH2-OE2 2.78Å; R363-E672 PolarHBondContact NH2-OE2 3.39Å; R363-Y705 CarbonylContact O-C 3.58Å; R363-Y705 WeakPolarHBondContact O-CA 3.29Å; R363-L706 HydrophobicContact CB-CB 4.49Å; R363-L706 PolarHBondContact N-O 3.02Å; R363-L706 PolarHBondContact O-N 3.05Å
364	M	78.7	Confident	82.8	Confident	105 Å²	105	34 Å²	34	52%	0.517	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.8	-178	-52.6	-65.4	-80.7	0	0	109.6	V362 S366 Y705	V362-M364 HydrophobicContact CG1-SD 3.82Å; M364-S366 PolarHBondContact O-N 2.88Å; M364-Y705 HydrophobicContact CB-CD1 4.34Å; M364-Y705 HydrophobicContact CE-CD1 3.47Å; M364-Y705 VanDerWaalsContact CE-CD1 3.47Å; M364-Y705 HydrophobicContact CE-CE1 3.3Å; M364-Y705 HydrophobicContact CE-CG 4.19Å; M364-Y705 HydrophobicContact SD-CD1 3.41Å; M364-Y705 WeakPolarHBondContact SD-CD1 3.42Å; M364-Y705 HydrophobicContact SD-CE1 3.93Å; M364-Y705 HydrophobicContact SD-CG 3.99Å
365	N	69.9	Low	83.1	Confident	127 Å²	127	36.1 Å²	36.1	68%	0.679	18%	0.184	S	C	*	.	E	Extended strand (participates in β ladder)	trans	59.8	31.5	-179.6	-49.9	-32.2	0	0	0	113.9
366	S	71.3	Confident	83.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	155.4	171.4	-52.1	0	0	0	0	109.9	R363 M364 D666 A704 L706	R363-S366 VanDerWaalsContact CB-OG 3.31Å; R363-S366 WeakPolarHBondContact CB-OG 3.38Å; M364-S366 PolarHBondContact O-N 2.88Å; S366-D666 WeakPolarHBondContact CB-OD2 3.24Å; S366-D666 PolarHBondContact OG-OD2 3.07Å; S366-A704 PolarHBondContact N-O 2.85Å; S366-A704 PolarHBondContact O-N 3.4Å; S366-L706 VanDerWaalsContact CB-CD1 3.43Å
367	Y	74.3	Confident	83.2	Confident	90 Å²	90	34.2 Å²	34.2	35%	0.353	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.4	178.9	-65.1	-87.2	0	0	0	110.5	F665 I693	Y367-F665 WeakPolarHBondContact CA-O 3.45Å; Y367-F665 WeakPolarHBondContact CB-O 3.18Å; Y367-F665 PolarHBondContact N-O 2.85Å; Y367-F665 PolarHBondContact O-N 2.83Å; Y367-F665 VanDerWaalsContact O-O 3.13Å; Y367-I693 HydrophobicContact CE2-CD1 4.06Å
368	G	73.7	Confident	83.4	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.7	176.2	0	0	0	0	0	112.2	S702	G368-S702 PolarHBondContact N-O 3.05Å
369	M	84.7	Confident	83.7	Confident	20 Å²	20	35.8 Å²	35.8	10%	0.099	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128	166.8	-176.7	160.4	73.9	0	0	109.6	F371 F662 A663 F665 F699	M369-F371 HydrophobicContact CE-CE1 3.58Å; M369-F371 HydrophobicContact CE-CE2 4.46Å; M369-F371 HydrophobicContact CE-CZ 3.39Å; M369-F371 HydrophobicContact CG-CE1 4.44Å; M369-F371 HydrophobicContact CG-CZ 4.44Å; M369-F371 HydrophobicContact SD-CE1 4.46Å; M369-F662 CarbonylContact O-C 3.58Å; M369-F662 WeakPolarHBondContact O-CA 3.34Å; M369-F662 VanDerWaalsContact O-CD2 3.28Å; M369-F662 WeakPolarHBondContact O-CD2 3.33Å; M369-A663 HydrophobicContact CB-CB 4.44Å; M369-A663 PolarHBondContact N-O 3.11Å; M369-A663 PolarHBondContact O-N 2.76Å; M369-F665 HydrophobicContact CB-CD2 4.37Å; M369-F665 HydrophobicContact CB-CE2 4.01Å; M369-F665 HydrophobicContact CE-CE2 3.66Å; M369-F665 HydrophobicContact CE-CZ 3.94Å; M369-F699 HydrophobicContact SD-CB 3.88Å; M369-F699 HydrophobicContact SD-CG 4.47Å
370	W	89.3	Confident	84.4	Confident	62 Å²	62	35.4 Å²	35.4	24%	0.235	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	156.5	171.9	50.6	-104.3	0	0	0	110.8	V372 F914 S917 L918 R921	W370-V372 HydrophobicContact CE3-CG2 3.94Å; W370-V372 HydrophobicContact CZ3-CG2 4.01Å; W370-F914 HydrophobicContact CB-CE2 4.05Å; W370-F914 HydrophobicContact CB-CZ 3.72Å; W370-F914 AromaticContact CD1-CD2 3.86Å; W370-F914 AromaticContact CD1-CE2 3.4Å; W370-F914 AromaticContact CD1-CZ 3.53Å; W370-F914 HydrophobicContact CG-CE2 4.08Å; W370-F914 HydrophobicContact CG-CZ 4.02Å; W370-S917 PolarHBondContact NE1-OG 3.11Å; W370-L918 HydrophobicContact CB-CD1 3.97Å; W370-L918 HydrophobicContact CB-CD2 4.2Å; W370-L918 HydrophobicContact CB-CG 4.48Å; W370-L918 HydrophobicContact CD2-CB 4.15Å; W370-L918 HydrophobicContact CD2-CD1 3.77Å; W370-L918 HydrophobicContact CD2-CG 4.5Å; W370-L918 HydrophobicContact CE3-CD1 3.96Å; W370-L918 HydrophobicContact CG-CB 3.91Å; W370-L918 HydrophobicContact CG-CD1 3.78Å; W370-L918 HydrophobicContact CG-CD2 4.35Å; W370-L918 HydrophobicContact CG-CG 4.21Å; W370-R921 HydrophobicContact CH2-CB 3.51Å; W370-R921 HydrophobicContact CH2-CG 3.58Å; W370-R921 HydrophobicContact CZ2-CB 4.1Å; W370-R921 HydrophobicContact CZ3-CB 3.98Å; W370-R921 HydrophobicContact CZ3-CG 3.6Å
371	F	91.2	Very high	85.1	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.035	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.5	167.2	-56.4	-75.7	0	0	0	109.6	M369 D376 F377 N380 F493 R660 C661 A663	M369-F371 HydrophobicContact CE-CE1 3.58Å; M369-F371 HydrophobicContact CE-CE2 4.46Å; M369-F371 HydrophobicContact CE-CZ 3.39Å; M369-F371 HydrophobicContact CG-CE1 4.44Å; M369-F371 HydrophobicContact CG-CZ 4.44Å; M369-F371 HydrophobicContact SD-CE1 4.46Å; F371-D376 HydrophobicContact CD1-CB 4.2Å; F371-F377 HydrophobicContact CB-CB 3.88Å; F371-F377 HydrophobicContact CD1-CB 4.45Å; F371-F377 HydrophobicContact CD2-CB 4.13Å; F371-F377 HydrophobicContact CD2-CD2 4.15Å; F371-F377 HydrophobicContact CE2-CD2 4.35Å; F371-F377 HydrophobicContact CG-CB 3.91Å; F371-N380 HydrophobicContact CE1-CB 3.78Å; F371-N380 HydrophobicContact CZ-CB 3.78Å; F371-F493 AromaticContact CE2-CD1 3.83Å; F371-F493 HydrophobicContact CE2-CD1 3.83Å; F371-F493 AromaticContact CE2-CE1 3.7Å; F371-F493 HydrophobicContact CE2-CE1 3.7Å; F371-F493 HydrophobicContact CZ-CD1 4.46Å; F371-F493 AromaticContact CZ-CE1 3.87Å; F371-F493 HydrophobicContact CZ-CE1 3.87Å; F371-R660 WeakPolarHBondContact O-CA 3.38Å; F371-C661 HydrophobicContact CB-CB 4.33Å; F371-C661 HydrophobicContact CD2-CB 4.15Å; F371-C661 PolarHBondContact N-O 2.95Å; F371-C661 PolarHBondContact O-N 2.83Å; F371-A663 HydrophobicContact CE2-CB 3.62Å; F371-A663 HydrophobicContact CZ-CB 4.01Å
372	V	90.4	Very high	85.9	Confident	3 Å²	3	34 Å²	34	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.6	168.6	-177.1	0	0	0	0	106.4	W370 L918 R921 L922	W370-V372 HydrophobicContact CE3-CG2 3.94Å; W370-V372 HydrophobicContact CZ3-CG2 4.01Å; V372-L918 HydrophobicContact CG2-CD1 3.84Å; V372-R921 HydrophobicContact CB-CG 4.3Å; V372-R921 HydrophobicContact CG2-CG 3.78Å; V372-L922 HydrophobicContact CB-CD2 4.2Å; V372-L922 HydrophobicContact CG1-CD2 3.59Å; V372-L922 HydrophobicContact CG2-CD2 3.47Å; V372-L922 VanDerWaalsContact CG2-CD2 3.47Å; V372-L922 HydrophobicContact CG2-CG 4.24Å
373	D	90.6	Very high	86.3	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.011	16%	0.16	C	C	.	.	S	Bend	trans	65.9	166.2	-172.8	-45.6	-49.6	0	0	0	115.9	D505 S507 H509 C658 Q659 R921	D373-D505 WeakPolarHBondContact CB-O 3.47Å; D373-S507 PolarHBondContact OD2-N 3.11Å; D373-H509 IonicContact OD1-CE1 3.15Å; D373-C658 PolarHBondContact OD1-SG 3.09Å; D373-Q659 WeakPolarHBondContact CA-O 3.31Å; D373-Q659 PolarHBondContact N-O 2.54Å; D373-R921 IonicContact OD2-NH2 3.6Å
374	G	90	Very high	86.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.7	-28	-174.8	0	0	0	0	0	114.3	M378 R503 D505	G374-M378 VanDerWaalsContact O-CB 3.28Å; G374-M378 WeakPolarHBondContact O-CB 3.48Å; G374-M378 VanDerWaalsContact O-CG 3.25Å; G374-M378 WeakPolarHBondContact O-CG 3.23Å; G374-M378 PolarHBondContact O-N 2.68Å; G374-R503 WeakPolarHBondContact CA-O 3.21Å; G374-D505 PolarHBondContact N-O 2.94Å
375	K	92.6	Very high	87.5	Confident	58 Å²	58	27.8 Å²	27.8	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-57.7	-62.1	-176.8	174.7	-166.2	167.1	-55.4	0	112	F377 M378 E379 W504 D505 D506	K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 2.93Å; K375-M378 PolarHBondContact O-N 3.44Å; K375-E379 IonicContact NZ-OE2 3.64Å; K375-E379 PolarHBondContact NZ-OE2 3.17Å; K375-E379 VanDerWaalsContact O-CB 3.29Å; K375-E379 WeakPolarHBondContact O-CB 3.4Å; K375-E379 PolarHBondContact O-N 3.03Å; K375-W504 HydrophobicContact CB-CH2 4.47Å; K375-W504 HydrophobicContact CB-CZ2 3.75Å; K375-W504 HydrophobicContact CD-CZ2 4.24Å; K375-W504 HydrophobicContact CG-CZ2 3.7Å; K375-D505 WeakPolarHBondContact CB-O 3.36Å; K375-D505 PolarHBondContact N-O 3.19Å; K375-D506 HydrophobicContact CB-CB 4.19Å; K375-D506 HydrophobicContact CD-CB 3.91Å
376	D	88.1	Confident	88.7	Confident	61 Å²	61	23.9 Å²	23.9	33%	0.326	11%	0.11	S	C	.	.	H	α-helix	trans	-70.4	-32	-170.3	-66	-18.8	0	0	0	110.8	F371 N380	F371-D376 HydrophobicContact CD1-CB 4.2Å; D376-N380 WeakPolarHBondContact O-CB 3.32Å; D376-N380 PolarHBondContact O-N 3.03Å; D376-N380 PolarHBondContact O-ND2 2.67Å
377	F	91.6	Very high	89.6	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-57.9	169.6	162.5	-116.5	0	0	0	112.3	F371 K375 E379 N380 L381 F493 I497 L499 C661	F371-F377 HydrophobicContact CB-CB 3.88Å; F371-F377 HydrophobicContact CD1-CB 4.45Å; F371-F377 HydrophobicContact CD2-CB 4.13Å; F371-F377 HydrophobicContact CD2-CD2 4.15Å; F371-F377 HydrophobicContact CE2-CD2 4.35Å; F371-F377 HydrophobicContact CG-CB 3.91Å; K375-F377 VanDerWaalsContact C-N 3.29Å; K375-F377 PolarHBondContact O-N 2.93Å; F377-E379 VanDerWaalsContact C-N 3.32Å; F377-E379 PolarHBondContact O-N 2.91Å; F377-N380 PolarHBondContact O-N 2.92Å; F377-L381 HydrophobicContact CE1-CD2 4.43Å; F377-L381 HydrophobicContact CE2-CB 4.32Å; F377-L381 HydrophobicContact CE2-CD2 4.16Å; F377-L381 HydrophobicContact CZ-CD2 3.81Å; F377-L381 VanDerWaalsContact O-CB 3.29Å; F377-L381 WeakPolarHBondContact O-CB 3.26Å; F377-L381 PolarHBondContact O-N 2.91Å; F377-F493 AromaticContact CD2-CD1 3.75Å; F377-F493 HydrophobicContact CD2-CD1 3.75Å; F377-F493 HydrophobicContact CD2-CE1 4.31Å; F377-F493 HydrophobicContact CE2-CB 3.88Å; F377-F493 AromaticContact CE2-CD1 3.56Å; F377-F493 HydrophobicContact CE2-CD1 3.56Å; F377-F493 HydrophobicContact CE2-CE1 4.38Å; F377-F493 AromaticContact CE2-CG 3.98Å; F377-F493 HydrophobicContact CE2-CG 3.98Å; F377-I497 HydrophobicContact CB-CD1 4.08Å; F377-I497 HydrophobicContact CD1-CB 3.88Å; F377-I497 HydrophobicContact CD1-CD1 3.68Å; F377-I497 HydrophobicContact CD1-CG1 4.28Å; F377-I497 HydrophobicContact CD1-CG2 3.7Å; F377-I497 HydrophobicContact CE1-CB 3.72Å; F377-I497 HydrophobicContact CE1-CD1 4.42Å; F377-I497 HydrophobicContact CE1-CG2 3.6Å; F377-I497 HydrophobicContact CG-CD1 4.03Å; F377-L499 HydrophobicContact CE1-CD2 4.15Å; F377-L499 HydrophobicContact CZ-CD2 4.27Å; F377-C661 HydrophobicContact CB-CB 4.2Å; F377-C661 HydrophobicContact CD1-CB 4.49Å; F377-C661 HydrophobicContact CD2-CB 3.76Å; F377-C661 WeakPolarHBondContact CD2-SG 3.42Å; F377-C661 HydrophobicContact CE2-CB 4.28Å; F377-C661 WeakPolarHBondContact CE2-SG 3.43Å; F377-C661 HydrophobicContact CG-CB 3.87Å
378	M	94.4	Very high	90.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-33.7	-174.8	-69.5	-173.8	-171.8	0	0	112	G374 K375 A382 I403 L405 I497 R503 W504	G374-M378 VanDerWaalsContact O-CB 3.28Å; G374-M378 WeakPolarHBondContact O-CB 3.48Å; G374-M378 VanDerWaalsContact O-CG 3.25Å; G374-M378 WeakPolarHBondContact O-CG 3.23Å; G374-M378 PolarHBondContact O-N 2.68Å; K375-M378 PolarHBondContact O-N 3.44Å; M378-A382 VanDerWaalsContact O-CB 3.31Å; M378-A382 WeakPolarHBondContact O-CB 3.25Å; M378-A382 PolarHBondContact O-N 3.48Å; M378-I403 HydrophobicContact CE-CD1 4.49Å; M378-I403 HydrophobicContact SD-CD1 4.44Å; M378-L405 CarbonylContact C-O 3.52Å; M378-L405 HydrophobicContact CB-CB 4.21Å; M378-L405 HydrophobicContact CB-CD2 4.15Å; M378-L405 VanDerWaalsContact CB-O 3.31Å; M378-L405 WeakPolarHBondContact CB-O 3.47Å; M378-L405 HydrophobicContact CG-CD2 4.18Å; M378-L405 HydrophobicContact SD-CD2 4.2Å; M378-I497 HydrophobicContact CE-CG2 4.06Å; M378-R503 HydrophobicContact CE-CB 3.75Å; M378-W504 HydrophobicContact CE-CB 4.32Å; M378-W504 HydrophobicContact SD-CB 3.92Å; M378-W504 HydrophobicContact SD-CG 4.27Å
379	E	92.9	Very high	90.7	Very high	68 Å²	68	29.5 Å²	29.5	32%	0.318	14%	0.142	S	C	.	.	H	α-helix	trans	-65.8	-44.8	175.9	179.7	166.7	-164.5	0	0	112.1	K375 F377 A382 N383 K406	K375-E379 IonicContact NZ-OE2 3.64Å; K375-E379 PolarHBondContact NZ-OE2 3.17Å; K375-E379 VanDerWaalsContact O-CB 3.29Å; K375-E379 WeakPolarHBondContact O-CB 3.4Å; K375-E379 PolarHBondContact O-N 3.03Å; F377-E379 VanDerWaalsContact C-N 3.32Å; F377-E379 PolarHBondContact O-N 2.91Å; E379-A382 PolarHBondContact O-N 3.43Å; E379-N383 PolarHBondContact O-N 3.06Å; E379-N383 PolarHBondContact O-ND2 2.87Å; E379-K406 HydrophobicContact CB-CG 4.46Å; E379-K406 HydrophobicContact CG-CD 4.15Å; E379-K406 HydrophobicContact CG-CG 4.24Å
380	N	89.6	Confident	90.4	Very high	15 Å²	15	29.6 Å²	29.6	8%	0.08	14%	0.142	C	C	.	.	H	α-helix	trans	-68.4	-40.5	175.2	-82.4	-81.9	0	0	0	112.1	F371 D376 F377 A382 N383 M384 F493	F371-N380 HydrophobicContact CE1-CB 3.78Å; F371-N380 HydrophobicContact CZ-CB 3.78Å; D376-N380 WeakPolarHBondContact O-CB 3.32Å; D376-N380 PolarHBondContact O-N 3.03Å; D376-N380 PolarHBondContact O-ND2 2.67Å; F377-N380 PolarHBondContact O-N 2.92Å; N380-A382 VanDerWaalsContact C-N 3.34Å; N380-A382 PolarHBondContact O-N 2.88Å; N380-N383 WeakPolarHBondContact O-CB 3.4Å; N380-N383 PolarHBondContact O-N 3.46Å; N380-M384 WeakPolarHBondContact O-CG 3.3Å; N380-M384 PolarHBondContact O-N 3.39Å; N380-F493 HydrophobicContact CB-CE1 4.5Å
381	L	92.9	Very high	90.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-45.7	174.5	178.4	64.5	0	0	0	111.5	F377 N383 M384 I385 V485 I487 F493 L499	F377-L381 HydrophobicContact CE1-CD2 4.43Å; F377-L381 HydrophobicContact CE2-CB 4.32Å; F377-L381 HydrophobicContact CE2-CD2 4.16Å; F377-L381 HydrophobicContact CZ-CD2 3.81Å; F377-L381 VanDerWaalsContact O-CB 3.29Å; F377-L381 WeakPolarHBondContact O-CB 3.26Å; F377-L381 PolarHBondContact O-N 2.91Å; L381-N383 VanDerWaalsContact C-N 3.31Å; L381-N383 PolarHBondContact O-N 3.2Å; L381-M384 PolarHBondContact O-N 3.14Å; L381-I385 HydrophobicContact CD1-CD1 3.92Å; L381-I385 HydrophobicContact CD1-CG1 4.12Å; L381-I385 HydrophobicContact CD2-CD1 4.38Å; L381-I385 HydrophobicContact CG-CD1 3.8Å; L381-I385 HydrophobicContact CG-CG1 4.36Å; L381-I385 WeakPolarHBondContact O-CG1 3.31Å; L381-I385 PolarHBondContact O-N 2.83Å; L381-V485 HydrophobicContact CD1-CB 3.83Å; L381-V485 HydrophobicContact CD1-CG1 3.77Å; L381-V485 HydrophobicContact CD1-CG2 4.13Å; L381-V485 HydrophobicContact CD2-CG2 4.17Å; L381-I487 HydrophobicContact CD1-CD1 4.3Å; L381-F493 HydrophobicContact CB-CE1 4.25Å; L381-F493 HydrophobicContact CB-CZ 4.24Å; L381-F493 HydrophobicContact CD1-CD2 3.58Å; L381-F493 HydrophobicContact CD1-CE2 3.65Å; L381-F493 HydrophobicContact CD1-CG 4.04Å; L381-F493 HydrophobicContact CD1-CZ 4.14Å; L381-L499 HydrophobicContact CD2-CD1 4.24Å; L381-L499 HydrophobicContact CD2-CD2 3.59Å
382	A	95.7	Very high	90.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-39.7	177.3	0	0	0	0	0	112.6	M378 E379 N380 E386 L405 K406 W415 L420	M378-A382 VanDerWaalsContact O-CB 3.31Å; M378-A382 WeakPolarHBondContact O-CB 3.25Å; M378-A382 PolarHBondContact O-N 3.48Å; E379-A382 PolarHBondContact O-N 3.43Å; N380-A382 VanDerWaalsContact C-N 3.34Å; N380-A382 PolarHBondContact O-N 2.88Å; A382-E386 WeakPolarHBondContact O-CB 3.48Å; A382-E386 PolarHBondContact O-N 3.37Å; A382-L405 HydrophobicContact CB-CB 3.78Å; A382-L405 HydrophobicContact CB-CD1 3.83Å; A382-L405 HydrophobicContact CB-CG 4.49Å; A382-K406 HydrophobicContact CB-CG 4.15Å; A382-W415 HydrophobicContact CB-CE3 3.85Å; A382-W415 HydrophobicContact CB-CZ3 4.09Å; A382-L420 HydrophobicContact CB-CD2 4.42Å
383	N	91.9	Very high	89.9	Confident	48 Å²	48	27 Å²	27	26%	0.257	13%	0.133	S	C	.	.	H	α-helix	trans	-62.9	-46.2	174.4	-67.8	-30.2	0	0	0	111.5	E379 N380 L381 E386 L387 K406	E379-N383 PolarHBondContact O-N 3.06Å; E379-N383 PolarHBondContact O-ND2 2.87Å; N380-N383 WeakPolarHBondContact O-CB 3.4Å; N380-N383 PolarHBondContact O-N 3.46Å; L381-N383 VanDerWaalsContact C-N 3.31Å; L381-N383 PolarHBondContact O-N 3.2Å; N383-E386 PolarHBondContact O-N 2.9Å; N383-L387 WeakPolarHBondContact O-CG 3.14Å; N383-L387 PolarHBondContact O-N 3.07Å; N383-K406 VanDerWaalsContact OD1-CE 3.28Å; N383-K406 WeakPolarHBondContact OD1-CE 3.44Å; N383-K406 PolarHBondContact OD1-NZ 2.76Å
384	M	89	Confident	90.1	Very high	15 Å²	15	27 Å²	27	7%	0.074	13%	0.133	C	C	.	.	H	α-helix	trans	-68.4	-37.4	-179.5	-62.4	-58.5	104.3	0	0	112	N380 L381 L387 A388 I487 I491 F493 F665 F697	N380-M384 WeakPolarHBondContact O-CG 3.3Å; N380-M384 PolarHBondContact O-N 3.39Å; L381-M384 PolarHBondContact O-N 3.14Å; M384-L387 HydrophobicContact CE-CD1 3.87Å; M384-L387 PolarHBondContact O-N 2.91Å; M384-L387 HydrophobicContact SD-CD1 4.46Å; M384-A388 PolarHBondContact O-N 3.23Å; M384-I487 HydrophobicContact CB-CD1 3.45Å; M384-I487 VanDerWaalsContact CB-CD1 3.45Å; M384-I491 HydrophobicContact CG-CD1 4.34Å; M384-I491 HydrophobicContact SD-CD1 3.58Å; M384-I491 VanDerWaalsContact SD-CD1 3.58Å; M384-F493 HydrophobicContact CB-CE2 4.1Å; M384-F493 HydrophobicContact CB-CZ 4.28Å; M384-F493 HydrophobicContact CG-CE2 4.06Å; M384-F493 HydrophobicContact CG-CZ 3.84Å; M384-F665 HydrophobicContact SD-CE1 4.14Å; M384-F697 HydrophobicContact CE-CE1 4.01Å; M384-F697 HydrophobicContact CE-CZ 4.36Å; M384-F697 HydrophobicContact SD-CE1 4.13Å; M384-F697 HydrophobicContact SD-CZ 4.16Å
385	I	94.2	Very high	90.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-40.1	175.5	-68.5	172.9	0	0	0	111	L381 L387 A388 I392 L420 L421 K424 I487	L381-I385 HydrophobicContact CD1-CD1 3.92Å; L381-I385 HydrophobicContact CD1-CG1 4.12Å; L381-I385 HydrophobicContact CD2-CD1 4.38Å; L381-I385 HydrophobicContact CG-CD1 3.8Å; L381-I385 HydrophobicContact CG-CG1 4.36Å; L381-I385 WeakPolarHBondContact O-CG1 3.31Å; L381-I385 PolarHBondContact O-N 2.83Å; I385-L387 PolarHBondContact O-N 2.89Å; I385-A388 WeakPolarHBondContact O-CB 3.47Å; I385-A388 PolarHBondContact O-N 2.96Å; I385-I392 HydrophobicContact CG2-CD1 3.86Å; I385-L420 HydrophobicContact CB-CD2 3.95Å; I385-L420 HydrophobicContact CB-CG 4.36Å; I385-L420 HydrophobicContact CD1-CD2 4.39Å; I385-L420 HydrophobicContact CG2-CD1 3.93Å; I385-L420 HydrophobicContact CG2-CD2 3.65Å; I385-L420 HydrophobicContact CG2-CG 3.56Å; I385-L421 HydrophobicContact CG2-CD2 4.27Å; I385-K424 HydrophobicContact CG2-CG 4.18Å; I385-K424 WeakPolarHBondContact O-CD 3.5Å; I385-K424 VanDerWaalsContact O-CE 3.3Å; I385-K424 WeakPolarHBondContact O-CE 3.21Å; I385-K424 WeakPolarHBondContact O-CG 3.23Å; I385-I487 HydrophobicContact CG1-CD1 3.8Å; I385-I487 HydrophobicContact CG1-CG1 4.41Å
386	E	94.3	Very high	90.2	Very high	45 Å²	45	25.5 Å²	25.5	21%	0.21	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-31.7	175.3	-172	77.9	162.3	0	0	111.4	A382 N383 R414 W415 L420 R423 K424	A382-E386 WeakPolarHBondContact O-CB 3.48Å; A382-E386 PolarHBondContact O-N 3.37Å; N383-E386 PolarHBondContact O-N 2.9Å; E386-R414 IonicContact OE1-CZ 3.8Å; E386-R414 VanDerWaalsContact OE1-CZ 3.27Å; E386-R414 IonicContact OE1-NH1 3.33Å; E386-R414 PolarHBondContact OE1-NH1 2.68Å; E386-R414 IonicContact OE1-NH2 3.61Å; E386-R414 PolarHBondContact OE1-NH2 3.21Å; E386-W415 HydrophobicContact CB-CZ3 4.29Å; E386-L420 HydrophobicContact CB-CD1 4.36Å; E386-L420 WeakPolarHBondContact OE2-CD1 3.48Å; E386-R423 IonicContact OE1-NE 2.73Å; E386-R423 IonicContact OE1-NH2 3.98Å; E386-R423 IonicContact OE2-CZ 2.78Å; E386-R423 VanDerWaalsContact OE2-CZ 3.25Å; E386-R423 IonicContact OE2-NE 3.54Å; E386-R423 PolarHBondContact OE2-NE 2.66Å; E386-R423 IonicContact OE2-NH2 3.87Å; E386-R423 PolarHBondContact OE2-NH2 2.81Å; E386-K424 WeakPolarHBondContact O-CE 3.41Å; E386-K424 PolarHBondContact O-NZ 2.77Å
387	L	89.4	Confident	90.5	Very high	117 Å²	117	25 Å²	25	61%	0.613	12%	0.122	S	C	*	.	H	α-helix	trans	-82	-11.4	178.2	-68.1	171.7	0	0	0	115.2	N383 M384 I385	N383-L387 WeakPolarHBondContact O-CG 3.14Å; N383-L387 PolarHBondContact O-N 3.07Å; M384-L387 HydrophobicContact CE-CD1 3.87Å; M384-L387 PolarHBondContact O-N 2.91Å; M384-L387 HydrophobicContact SD-CD1 4.46Å; I385-L387 PolarHBondContact O-N 2.89Å
388	A	87.7	Confident	90.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	12%	0.122	C	C	.	.			trans	-58.4	136.9	-175.1	0	0	0	0	0	112.9	M384 I385 I392 K424 V429 I487 D488	M384-A388 PolarHBondContact O-N 3.23Å; I385-A388 WeakPolarHBondContact O-CB 3.47Å; I385-A388 PolarHBondContact O-N 2.96Å; A388-I392 HydrophobicContact CB-CD1 3.92Å; A388-I392 HydrophobicContact CB-CG1 3.81Å; A388-K424 WeakPolarHBondContact O-CE 3.45Å; A388-K424 PolarHBondContact O-NZ 2.8Å; A388-V429 HydrophobicContact CB-CG1 4.24Å; A388-V429 WeakPolarHBondContact O-CG2 3.36Å; A388-I487 HydrophobicContact CB-CG2 3.67Å; A388-D488 WeakPolarHBondContact CA-OD2 3.42Å
389	E	84.6	Confident	90.6	Very high	92 Å²	92	25.3 Å²	25.3	43%	0.43	12%	0.123	S	C	.	.	S	Bend	trans	-109.4	-32.1	-179.4	-70.7	-169.6	-178.8	0	0	114.2	D488 R688 W691	E389-D488 PolarHBondContact N-OD1 3.09Å; E389-D488 PolarHBondContact N-OD2 2.94Å; E389-R688 IonicContact OE2-CZ 2.89Å; E389-R688 VanDerWaalsContact OE2-CZ 3.25Å; E389-R688 IonicContact OE2-NH1 3.35Å; E389-R688 PolarHBondContact OE2-NH1 3.08Å; E389-R688 IonicContact OE2-NH2 3.63Å; E389-R688 PolarHBondContact OE2-NH2 3.44Å; E389-W691 WeakPolarHBondContact OE1-CH2 3.39Å
390	E	78.9	Confident	90.7	Very high	22 Å²	22	22 Å²	22	10%	0.103	11%	0.108	C	C	.	.	S	Bend	trans	-122.3	-55	-167	-63.4	-179	173.2	0	0	111.4	H430 D488 M686 R688	E390-H430 PolarHBondContact O-N 3.26Å; E390-D488 WeakPolarHBondContact CA-OD1 3.11Å; E390-D488 PolarHBondContact N-OD1 2.99Å; E390-M686 VanDerWaalsContact OE2-CB 3.26Å; E390-M686 WeakPolarHBondContact OE2-CB 3.37Å; E390-R688 IonicContact OE1-CZ 3.97Å; E390-R688 IonicContact OE1-NE 3.64Å; E390-R688 PolarHBondContact OE1-NE 2.71Å; E390-R688 IonicContact OE1-NH2 2.96Å; E390-R688 PolarHBondContact OE1-NH2 2.96Å
391	E	83.3	Confident	91.1	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.033	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	147.3	-170.5	60.7	-170.5	173	0	0	115	F393 H430 D488 Q489	E391-F393 HydrophobicContact CB-CE2 4.31Å; E391-F393 HydrophobicContact CB-CZ 4.48Å; E391-F393 VanDerWaalsContact CD-CE2 3.44Å; E391-F393 HydrophobicContact CG-CE2 3.76Å; E391-F393 HydrophobicContact CG-CZ 4.24Å; E391-F393 WeakPolarHBondContact OE2-CE2 3.43Å; E391-F393 WeakPolarHBondContact OE2-CZ 3.33Å; E391-H430 CarbonylContact C-O 3.5Å; E391-H430 VanDerWaalsContact CA-O 3.25Å; E391-H430 WeakPolarHBondContact CA-O 3.26Å; E391-D488 PolarHBondContact N-OD1 3Å; E391-D488 PolarHBondContact O-N 2.93Å; E391-Q489 VanDerWaalsContact OE1-CD 3.27Å; E391-Q489 VanDerWaalsContact OE1-CG 3.28Å; E391-Q489 WeakPolarHBondContact OE1-CG 3.21Å; E391-Q489 PolarHBondContact OE1-NE2 3.43Å
392	I	89.9	Confident	91.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118	175.5	-60.2	159.7	0	0	0	108.4	I385 A388 I394 L421 K424 V429 H430 V431 Y432 V485 V486	I385-I392 HydrophobicContact CG2-CD1 3.86Å; A388-I392 HydrophobicContact CB-CD1 3.92Å; A388-I392 HydrophobicContact CB-CG1 3.81Å; I392-I394 HydrophobicContact CG2-CD1 4.26Å; I392-I394 HydrophobicContact CG2-CG1 3.99Å; I392-L421 HydrophobicContact CD1-CD2 4.14Å; I392-L421 HydrophobicContact CG2-CD2 4.42Å; I392-K424 HydrophobicContact CD1-CB 4.23Å; I392-K424 HydrophobicContact CD1-CG 4.43Å; I392-V429 HydrophobicContact CD1-CG1 3.81Å; I392-V429 HydrophobicContact CG1-CG1 3.89Å; I392-H430 PolarHBondContact N-O 3.42Å; I392-V431 HydrophobicContact CB-CG1 4.44Å; I392-V431 HydrophobicContact CB-CG2 4.44Å; I392-V431 HydrophobicContact CD1-CG2 4.25Å; I392-V431 CarbonylContact O-C 3.33Å; I392-V431 WeakPolarHBondContact O-CA 3.29Å; I392-Y432 PolarHBondContact O-N 3.38Å; I392-V485 HydrophobicContact CG2-CG1 4.22Å; I392-V486 CarbonylContact C-O 3.58Å; I392-V486 WeakPolarHBondContact CA-O 3.35Å
393	F	87.3	Confident	91	Very high	13 Å²	13	21.9 Å²	21.9	6%	0.057	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	134.9	170.7	-59.2	-77.7	0	0	0	110.1	E391 Y432 V485 V486 Q489 I683	E391-F393 HydrophobicContact CB-CE2 4.31Å; E391-F393 HydrophobicContact CB-CZ 4.48Å; E391-F393 VanDerWaalsContact CD-CE2 3.44Å; E391-F393 HydrophobicContact CG-CE2 3.76Å; E391-F393 HydrophobicContact CG-CZ 4.24Å; E391-F393 WeakPolarHBondContact OE2-CE2 3.43Å; E391-F393 WeakPolarHBondContact OE2-CZ 3.33Å; F393-Y432 CarbonylContact C-O 3.55Å; F393-Y432 WeakPolarHBondContact CA-O 3.28Å; F393-Y432 AromaticContact CD1-CD2 3.91Å; F393-Y432 HydrophobicContact CD1-CD2 3.91Å; F393-Y432 HydrophobicContact CD1-CG 4.13Å; F393-Y432 AromaticContact CE1-CD2 3.38Å; F393-Y432 HydrophobicContact CE1-CD2 3.38Å; F393-Y432 HydrophobicContact CE1-CE2 4.12Å; F393-Y432 AromaticContact CE1-CG 3.86Å; F393-Y432 HydrophobicContact CE1-CG 3.86Å; F393-Y432 HydrophobicContact CZ-CD2 4.02Å; F393-Y432 HydrophobicContact CZ-CE2 4.44Å; F393-V485 CarbonylContact O-C 3.48Å; F393-V485 VanDerWaalsContact O-CA 3.26Å; F393-V485 WeakPolarHBondContact O-CA 3.23Å; F393-V486 HydrophobicContact CB-CB 4.12Å; F393-V486 HydrophobicContact CD2-CB 4.12Å; F393-V486 HydrophobicContact CD2-CG1 4.48Å; F393-V486 PolarHBondContact N-O 2.96Å; F393-V486 PolarHBondContact O-N 2.99Å; F393-Q489 HydrophobicContact CD2-CG 4.43Å; F393-Q489 HydrophobicContact CE2-CG 3.82Å; F393-I683 HydrophobicContact CD1-CD1 3.97Å; F393-I683 HydrophobicContact CE1-CD1 3.3Å; F393-I683 HydrophobicContact CE1-CG1 3.7Å; F393-I683 HydrophobicContact CE1-CG2 4.26Å; F393-I683 HydrophobicContact CZ-CD1 3.96Å; F393-I683 HydrophobicContact CZ-CG1 4.04Å; F393-I683 HydrophobicContact CZ-CG2 3.77Å
394	I	93.4	Very high	91.1	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.8	175.3	-55	178.3	0	0	0	109	I392 D396 L399 L421 Y432 V433 L434 I484 V485 L499	I392-I394 HydrophobicContact CG2-CD1 4.26Å; I392-I394 HydrophobicContact CG2-CG1 3.99Å; I394-D396 VanDerWaalsContact CG2-OD2 3.23Å; I394-D396 WeakPolarHBondContact CG2-OD2 3.28Å; I394-L399 HydrophobicContact CG2-CD1 3.95Å; I394-L421 HydrophobicContact CD1-CD1 4.03Å; I394-L421 HydrophobicContact CD1-CD2 4.25Å; I394-Y432 PolarHBondContact N-O 3.06Å; I394-V433 HydrophobicContact CB-CG1 4.22Å; I394-V433 HydrophobicContact CB-CG2 4.23Å; I394-V433 HydrophobicContact CD1-CG2 4.35Å; I394-V433 HydrophobicContact CG2-CG1 4.35Å; I394-V433 CarbonylContact O-C 3.52Å; I394-V433 WeakPolarHBondContact O-CA 3.29Å; I394-L434 PolarHBondContact O-N 2.89Å; I394-I484 CarbonylContact C-O 3.51Å; I394-I484 WeakPolarHBondContact CA-O 3.46Å; I394-V485 HydrophobicContact CG1-CG1 4.17Å; I394-V485 HydrophobicContact CG1-CG2 4.35Å; I394-V485 HydrophobicContact CG2-CG2 4.36Å; I394-L499 HydrophobicContact CD1-CD1 4.44Å; I394-L499 HydrophobicContact CG2-CD1 4.21Å
395	T	91.5	Very high	91.4	Very high	22 Å²	22	19.3 Å²	19.3	14%	0.135	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.9	162.6	74.8	0	0	0	0	108.8	L434 E482 K483 I484	T395-L434 WeakPolarHBondContact CA-O 3.2Å; T395-L434 HydrophobicContact CG2-CB 4.24Å; T395-L434 HydrophobicContact CG2-CD2 4.39Å; T395-E482 CarbonylContact C-O 3.56Å; T395-E482 HydrophobicContact CG2-CG 4.48Å; T395-E482 WeakPolarHBondContact OG1-CG 3.25Å; T395-E482 PolarHBondContact OG1-O 2.53Å; T395-K483 WeakPolarHBondContact O-CA 3.48Å; T395-I484 HydrophobicContact CG2-CB 4.42Å; T395-I484 PolarHBondContact N-O 3.32Å; T395-I484 PolarHBondContact O-N 3.15Å; T395-I484 VanDerWaalsContact OG1-CB 3.31Å; T395-I484 WeakPolarHBondContact OG1-CB 3.44Å; T395-I484 WeakPolarHBondContact OG1-CG1 3.35Å; T395-I484 PolarHBondContact OG1-N 2.84Å; T395-I484 VanDerWaalsContact OG1-N 3.17Å
396	D	94.1	Very high	91.4	Very high	4 Å²	4	21 Å²	21	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	142.6	178.2	-87.6	-61.1	0	0	0	110.1	I394 W398 L399 L434 L435 Y436 D498 L499	I394-D396 VanDerWaalsContact CG2-OD2 3.23Å; I394-D396 WeakPolarHBondContact CG2-OD2 3.28Å; D396-W398 VanDerWaalsContact C-N 3.29Å; D396-L399 HydrophobicContact CB-CB 3.99Å; D396-L399 WeakPolarHBondContact OD2-CD1 3.4Å; D396-L434 PolarHBondContact N-O 3.26Å; D396-L435 HydrophobicContact CB-CD2 4.05Å; D396-Y436 PolarHBondContact O-N 2.92Å; D396-D498 WeakPolarHBondContact OD1-CA 3.42Å; D396-L499 PolarHBondContact OD1-N 2.61Å; D396-L499 WeakPolarHBondContact OD2-CB 3.2Å
397	W	93.5	Very high	91.2	Very high	50 Å²	50	20.3 Å²	20.3	19%	0.189	10%	0.095	C	C	.	.	S	Bend	trans	-70.2	-35.1	165.2	-179.1	85.5	0	0	0	110	Y436 L443 I445 H481 D498	W397-Y436 AromaticContact CD1-CD1 3.57Å; W397-Y436 HydrophobicContact CD2-CD1 4.48Å; W397-Y436 AromaticContact CE2-CD1 3.98Å; W397-Y436 HydrophobicContact CG-CD1 4.25Å; W397-Y436 AromaticContact NE1-CD1 3.38Å; W397-Y436 AromaticContact NE1-CE1 3.58Å; W397-L443 HydrophobicContact CH2-CD2 4.4Å; W397-L443 HydrophobicContact CZ2-CD1 3.97Å; W397-L443 HydrophobicContact CZ2-CD2 4.28Å; W397-I445 HydrophobicContact CE3-CG2 4.46Å; W397-I445 HydrophobicContact CH2-CG2 3.81Å; W397-I445 HydrophobicContact CZ3-CG2 3.71Å; W397-I445 VanDerWaalsContact O-CD1 3.31Å; W397-I445 WeakPolarHBondContact O-CD1 3.25Å; W397-H481 AromaticContact CD1-CD2 3.78Å; W397-H481 AromaticContact CG-CD2 3.89Å; W397-D498 VanDerWaalsContact CB-OD1 3.31Å; W397-D498 WeakPolarHBondContact CB-OD1 3.35Å; W397-D498 PolarHBondContact N-OD1 2.85Å
398	W	93.6	Very high	91.1	Very high	9 Å²	9	16.6 Å²	16.6	3%	0.034	8%	0.078	C	C	.	.	S	Bend	trans	-146.4	128	170.3	179.1	31.8	0	0	0	111.4	D396 S400 I445 D498 C500 Y501 F629 I632	D396-W398 VanDerWaalsContact C-N 3.29Å; W398-S400 WeakPolarHBondContact CZ2-OG 3.17Å; W398-I445 HydrophobicContact CB-CB 4.29Å; W398-I445 HydrophobicContact CB-CD1 4.48Å; W398-I445 HydrophobicContact CB-CG2 4.09Å; W398-I445 HydrophobicContact CD2-CB 4.27Å; W398-I445 HydrophobicContact CD2-CG2 4.05Å; W398-I445 HydrophobicContact CG-CB 3.82Å; W398-I445 HydrophobicContact CG-CG2 3.85Å; W398-I445 PolarHBondContact NE1-O 2.88Å; W398-I445 VanDerWaalsContact NE1-O 3.09Å; W398-D498 WeakPolarHBondContact O-CB 3.49Å; W398-C500 HydrophobicContact CB-CB 4.29Å; W398-C500 HydrophobicContact CD2-CB 3.5Å; W398-C500 HydrophobicContact CE3-CB 3.56Å; W398-C500 HydrophobicContact CG-CB 3.85Å; W398-C500 HydrophobicContact CH2-CB 4.46Å; W398-C500 HydrophobicContact CZ2-CB 4.44Å; W398-C500 HydrophobicContact CZ3-CB 4.05Å; W398-C500 VanDerWaalsContact O-CB 3.26Å; W398-C500 WeakPolarHBondContact O-CB 3.4Å; W398-C500 PolarHBondContact O-SG 2.85Å; W398-Y501 HydrophobicContact CH2-CD2 4.02Å; W398-Y501 HydrophobicContact CH2-CG 4.45Å; W398-Y501 AromaticContact CZ2-CD2 3.93Å; W398-Y501 HydrophobicContact CZ2-CD2 3.93Å; W398-F629 AromaticContact CH2-CD1 3.79Å; W398-F629 HydrophobicContact CH2-CD1 3.79Å; W398-F629 AromaticContact CH2-CD2 3.44Å; W398-F629 HydrophobicContact CH2-CD2 3.44Å; W398-F629 VanDerWaalsContact CH2-CD2 3.44Å; W398-F629 AromaticContact CH2-CE1 3.72Å; W398-F629 HydrophobicContact CH2-CE1 3.72Å; W398-F629 AromaticContact CH2-CE2 3.38Å; W398-F629 HydrophobicContact CH2-CE2 3.38Å; W398-F629 AromaticContact CH2-CG 3.64Å; W398-F629 HydrophobicContact CH2-CG 3.64Å; W398-F629 AromaticContact CH2-CZ 3.5Å; W398-F629 HydrophobicContact CH2-CZ 3.5Å; W398-F629 VanDerWaalsContact CH2-CZ 3.5Å; W398-F629 HydrophobicContact CZ2-CD1 4.5Å; W398-F629 HydrophobicContact CZ2-CD2 4.43Å; W398-F629 HydrophobicContact CZ2-CG 4.35Å; W398-F629 AromaticContact CZ3-CD2 3.77Å; W398-F629 HydrophobicContact CZ3-CD2 3.77Å; W398-F629 HydrophobicContact CZ3-CE1 4.46Å; W398-F629 AromaticContact CZ3-CE2 3.42Å; W398-F629 HydrophobicContact CZ3-CE2 3.42Å; W398-F629 VanDerWaalsContact CZ3-CE2 3.42Å; W398-F629 HydrophobicContact CZ3-CG 4.42Å; W398-F629 AromaticContact CZ3-CZ 3.78Å; W398-F629 HydrophobicContact CZ3-CZ 3.78Å; W398-I632 HydrophobicContact CZ2-CD1 3.77Å; W398-I632 HydrophobicContact CZ2-CG1 4.49Å
399	L	95.6	Very high	90.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.082	C	C	.	.			trans	-118	129.4	175	-171.6	162.3	0	0	0	109.7	I394 D396 P401 L417 V433 L435 S450 L454 L499	I394-L399 HydrophobicContact CG2-CD1 3.95Å; D396-L399 HydrophobicContact CB-CB 3.99Å; D396-L399 WeakPolarHBondContact OD2-CD1 3.4Å; L399-P401 HydrophobicContact CD2-CB 4.43Å; L399-P401 HydrophobicContact CD2-CG 3.96Å; L399-L417 HydrophobicContact CD2-CD2 4.05Å; L399-L417 HydrophobicContact CG-CD2 4.23Å; L399-V433 HydrophobicContact CD1-CG1 3.88Å; L399-L435 HydrophobicContact CB-CD2 3.5Å; L399-L435 HydrophobicContact CD1-CD2 4.1Å; L399-L435 HydrophobicContact CG-CD2 4.43Å; L399-S450 WeakPolarHBondContact O-CB 3.41Å; L399-S450 PolarHBondContact O-OG 3.05Å; L399-L454 HydrophobicContact CD1-CD1 4.25Å; L399-L454 HydrophobicContact CD2-CD1 3.9Å; L399-L499 CarbonylContact C-O 3.52Å; L399-L499 WeakPolarHBondContact CA-O 3.33Å; L399-L499 HydrophobicContact CG-CB 4.33Å
400	S	95.3	Very high	90.7	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.			trans	-110.6	104.9	174	-56.9	0	0	0	0	109.7	W398 E402 I403 L499 C500 Y501	W398-S400 WeakPolarHBondContact CZ2-OG 3.17Å; S400-E402 PolarHBondContact O-N 3.37Å; S400-E402 VanDerWaalsContact O-N 3.09Å; S400-I403 WeakPolarHBondContact O-CG1 3.38Å; S400-I403 PolarHBondContact O-N 3.33Å; S400-L499 PolarHBondContact N-O 2.85Å; S400-C500 WeakPolarHBondContact OG-CB 3.34Å; S400-Y501 WeakPolarHBondContact OG-CD2 3.46Å; S400-Y501 PolarHBondContact OG-N 3.34Å
401	P	96.3	Very high	90.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.9	-168.4	-25	33.7	0	0	0	115	L399 L417 D418 R453 L454	L399-P401 HydrophobicContact CD2-CB 4.43Å; L399-P401 HydrophobicContact CD2-CG 3.96Å; P401-L417 WeakPolarHBondContact O-CB 3.49Å; P401-D418 HydrophobicContact CB-CB 4.05Å; P401-D418 WeakPolarHBondContact O-CB 3.47Å; P401-D418 PolarHBondContact O-N 2.89Å; P401-R453 HydrophobicContact CB-CG 3.92Å; P401-R453 HydrophobicContact CG-CB 4.17Å; P401-R453 HydrophobicContact CG-CG 3.98Å; P401-L454 HydrophobicContact CB-CD2 4.17Å; P401-L454 HydrophobicContact CB-CG 4.38Å; P401-L454 HydrophobicContact CG-CD2 4.44Å; P401-L454 HydrophobicContact CG-CG 4.13Å
402	E	94.7	Very high	90.9	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.047	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.9	-173.1	-53.8	76	-163.8	0	0	114	S400 R416 Y449 R453 Y501 P635	S400-E402 PolarHBondContact O-N 3.37Å; S400-E402 VanDerWaalsContact O-N 3.09Å; E402-R416 WeakPolarHBondContact O-CD 3.31Å; E402-R416 VanDerWaalsContact O-CG 3.26Å; E402-R416 WeakPolarHBondContact O-CG 3.26Å; E402-Y449 PolarHBondContact OE1-OH 3.41Å; E402-Y449 VanDerWaalsContact OE1-OH 3.13Å; E402-R453 WeakPolarHBondContact OE1-CG 3.49Å; E402-R453 IonicContact OE1-NE 3.84Å; E402-Y501 PolarHBondContact OE2-OH 2.96Å; E402-P635 HydrophobicContact CB-CB 4.02Å; E402-P635 HydrophobicContact CB-CG 4.37Å; E402-P635 HydrophobicContact CG-CB 4.09Å; E402-P635 HydrophobicContact CG-CG 3.98Å
403	I	93.5	Very high	90.8	Very high	2 Å²	2	29 Å²	29	1%	0.01	14%	0.14	C	C	.	.			trans	-67.4	148.5	175.8	63.3	164.5	0	0	0	112.1	M378 S400 L405 R416 L417 L499 Y501	M378-I403 HydrophobicContact CE-CD1 4.49Å; M378-I403 HydrophobicContact SD-CD1 4.44Å; S400-I403 WeakPolarHBondContact O-CG1 3.38Å; S400-I403 PolarHBondContact O-N 3.33Å; I403-L405 HydrophobicContact CD1-CD2 3.82Å; I403-L405 HydrophobicContact CG1-CD2 4.29Å; I403-R416 CarbonylContact O-C 3.54Å; I403-R416 VanDerWaalsContact O-CA 3.31Å; I403-R416 WeakPolarHBondContact O-CA 3.1Å; I403-R416 WeakPolarHBondContact O-CG 3.45Å; I403-L417 HydrophobicContact CD1-CD2 4.32Å; I403-L417 HydrophobicContact CG1-CB 3.93Å; I403-L417 HydrophobicContact CG1-CD2 4.07Å; I403-L417 PolarHBondContact O-N 3.43Å; I403-L499 HydrophobicContact CD1-CB 4.07Å; I403-Y501 HydrophobicContact CG2-CD1 3.58Å; I403-Y501 HydrophobicContact CG2-CE1 3.63Å; I403-Y501 HydrophobicContact CG2-CG 4.48Å
404	Y	94.1	Very high	91.1	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.031	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-95.7	122.9	171.1	-71.9	-96.9	0	0	0	110	R407 A409 G412 R416 I617 Y636	Y404-R407 PolarHBondContact O-NE 3.47Å; Y404-R407 PolarHBondContact O-NH2 3.32Å; Y404-A409 HydrophobicContact CD1-CB 3.66Å; Y404-A409 HydrophobicContact CE1-CB 3.75Å; Y404-A409 HydrophobicContact CG-CB 4.23Å; Y404-G412 WeakPolarHBondContact CE1-O 3.17Å; Y404-R416 HydrophobicContact CD1-CB 4.29Å; Y404-R416 HydrophobicContact CD1-CG 4.48Å; Y404-R416 HydrophobicContact CD2-CG 4.22Å; Y404-R416 HydrophobicContact CE1-CB 4.07Å; Y404-R416 HydrophobicContact CE1-CG 4.26Å; Y404-R416 HydrophobicContact CE2-CG 3.96Å; Y404-R416 HydrophobicContact CG-CG 4.47Å; Y404-I617 HydrophobicContact CD2-CD1 4.03Å; Y404-I617 HydrophobicContact CE2-CD1 3.9Å; Y404-Y636 HydrophobicContact CE2-CE1 4.49Å
405	L	95	Very high	91.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-82.5	-28.9	-179.5	-59.3	179.9	0	0	0	112.8	M378 A382 I403 W415 L417 L420 L499	M378-L405 CarbonylContact C-O 3.52Å; M378-L405 HydrophobicContact CB-CB 4.21Å; M378-L405 HydrophobicContact CB-CD2 4.15Å; M378-L405 VanDerWaalsContact CB-O 3.31Å; M378-L405 WeakPolarHBondContact CB-O 3.47Å; M378-L405 HydrophobicContact CG-CD2 4.18Å; M378-L405 HydrophobicContact SD-CD2 4.2Å; A382-L405 HydrophobicContact CB-CB 3.78Å; A382-L405 HydrophobicContact CB-CD1 3.83Å; A382-L405 HydrophobicContact CB-CG 4.49Å; I403-L405 HydrophobicContact CD1-CD2 3.82Å; I403-L405 HydrophobicContact CG1-CD2 4.29Å; L405-W415 PolarHBondContact N-O 3.43Å; L405-L417 HydrophobicContact CD1-CD1 4.16Å; L405-L420 HydrophobicContact CD1-CD2 3.74Å; L405-L499 HydrophobicContact CD2-CD2 4.44Å
406	K	93.7	Very high	91.3	Very high	35 Å²	35	33.2 Å²	33.2	15%	0.152	15%	0.153	C	C	.	.	S	Bend	trans	-117.8	137.2	173.7	-59.9	-160.6	-172.3	-176.5	0	110.8	E379 A382 N383 W415	E379-K406 HydrophobicContact CB-CG 4.46Å; E379-K406 HydrophobicContact CG-CD 4.15Å; E379-K406 HydrophobicContact CG-CG 4.24Å; A382-K406 HydrophobicContact CB-CG 4.15Å; N383-K406 VanDerWaalsContact OD1-CE 3.28Å; N383-K406 WeakPolarHBondContact OD1-CE 3.44Å; N383-K406 PolarHBondContact OD1-NZ 2.76Å; K406-W415 HydrophobicContact CB-CB 3.94Å; K406-W415 HydrophobicContact CB-CD2 4.46Å; K406-W415 HydrophobicContact CB-CG 3.84Å; K406-W415 HydrophobicContact CD-CD2 3.77Å; K406-W415 HydrophobicContact CD-CE3 4.28Å; K406-W415 HydrophobicContact CD-CG 4Å; K406-W415 HydrophobicContact CD-CZ2 4.14Å; K406-W415 HydrophobicContact CG-CB 4.2Å; K406-W415 HydrophobicContact CG-CD2 4.02Å; K406-W415 HydrophobicContact CG-CE3 4.44Å; K406-W415 HydrophobicContact CG-CG 3.91Å
407	R	90.2	Very high	91.5	Very high	31 Å²	31	33 Å²	33	12%	0.117	15%	0.152	C	C	.	.	S	Bend	trans	-145.5	150.2	-168.5	-47.1	-159.8	-169	178.1	-5.9	112.5	Y404 W504 Y615 W616 D620	Y404-R407 PolarHBondContact O-NE 3.47Å; Y404-R407 PolarHBondContact O-NH2 3.32Å; R407-W504 HydrophobicContact CB-CD2 4.5Å; R407-W504 HydrophobicContact CB-CH2 4.3Å; R407-W504 HydrophobicContact CB-CZ2 3.71Å; R407-W504 HydrophobicContact CG-CD2 4.13Å; R407-W504 HydrophobicContact CG-CG 4.36Å; R407-W504 HydrophobicContact CG-CZ2 4.14Å; R407-W504 VanDerWaalsContact NE-CG 3.27Å; R407-Y615 HydrophobicContact CB-CD1 4.22Å; R407-Y615 WeakPolarHBondContact CD-O 3.48Å; R407-Y615 PolarHBondContact NH1-O 2.95Å; R407-W616 VanDerWaalsContact NH1-CD1 3.34Å; R407-D620 IonicContact CZ-OD2 3.68Å; R407-D620 IonicContact NH1-OD2 2.93Å; R407-D620 PolarHBondContact NH1-OD2 3.46Å; R407-D620 IonicContact NH2-OD1 3.63Å; R407-D620 IonicContact NH2-OD2 3.48Å; R407-D620 PolarHBondContact NH2-OD2 3.43Å
408	P	87.8	Confident	91.7	Very high	39 Å²	39	30.6 Å²	30.6	25%	0.253	14%	0.143	S	C	.	.	S	Bend	cis	-62.8	159	-3.6	27.1	-34.3	0	0	0	112.4	I410	P408-I410 HydrophobicContact CB-CG2 4.41Å; P408-I410 HydrophobicContact CG-CG2 4.06Å; P408-I410 PolarHBondContact O-N 3.15Å
409	A	82.7	Confident	91.8	Very high	12 Å²	12	31.9 Å²	31.9	10%	0.099	15%	0.149	C	C	.	.			trans	-77.1	62.1	-170.9	0	0	0	0	0	113	Y404 I617	Y404-A409 HydrophobicContact CD1-CB 3.66Å; Y404-A409 HydrophobicContact CE1-CB 3.75Å; Y404-A409 HydrophobicContact CG-CB 4.23Å; A409-I617 HydrophobicContact CB-CD1 3.83Å
410	I	80	Confident	91.9	Very high	110 Å²	110	31.8 Å²	31.8	56%	0.564	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-28.7	-173	56.1	170.9	0	0	0	114	P408 G412	P408-I410 HydrophobicContact CB-CG2 4.41Å; P408-I410 HydrophobicContact CG-CG2 4.06Å; P408-I410 PolarHBondContact O-N 3.15Å; I410-G412 PolarHBondContact O-N 2.87Å
411	E	82.8	Confident	92.1	Very high	97 Å²	97	31.8 Å²	31.8	45%	0.453	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	37.6	177.9	-69.3	173.2	74.5	0	0	112.1	R413 R414 W415	E411-R413 PolarHBondContact O-N 2.91Å; E411-R414 HydrophobicContact CB-CB 4.04Å; E411-R414 VanDerWaalsContact O-CB 3.23Å; E411-R414 WeakPolarHBondContact O-CB 3.39Å; E411-R414 PolarHBondContact O-N 2.96Å; E411-R414 VanDerWaalsContact O-N 3.09Å; E411-R414 WeakPolarHBondContact OE1-CD 3.34Å; E411-R414 IonicContact OE1-NE 3.72Å; E411-R414 PolarHBondContact OE1-NE 2.67Å; E411-W415 PolarHBondContact OE1-NE1 3.02Å; E411-W415 PolarHBondContact OE2-NE1 3.03Å
412	G	83.5	Confident	92.1	Very high	22 Å²	22	35 Å²	35	23%	0.227	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-126.1	-176.6	0	0	0	0	0	111.8	Y404 I410	Y404-G412 WeakPolarHBondContact CE1-O 3.17Å; I410-G412 PolarHBondContact O-N 2.87Å
413	R	89	Confident	92.3	Very high	141 Å²	141	36.6 Å²	36.6	53%	0.532	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2.2	178.9	-64.5	-174.4	-82.6	154	-13.6	115	E411 W415 R416 E419	E411-R413 PolarHBondContact O-N 2.91Å; R413-W415 VanDerWaalsContact C-N 3.26Å; R413-W415 PolarHBondContact O-N 2.81Å; R413-W415 VanDerWaalsContact O-N 3.1Å; R413-R416 VanDerWaalsContact CD-NH1 3.33Å; R413-R416 WeakPolarHBondContact O-CB 3.39Å; R413-R416 PolarHBondContact O-N 2.81Å; R413-E419 HydrophobicContact CB-CG 4.08Å; R413-E419 IonicContact CZ-OE1 3.98Å; R413-E419 IonicContact NH1-OE1 3.61Å; R413-E419 PolarHBondContact NH1-OE1 3.48Å; R413-E419 IonicContact NH1-OE2 3.14Å
414	R	93.1	Very high	92.4	Very high	91 Å²	91	37 Å²	37	34%	0.343	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.7	-169.5	177	165.2	166.5	62	8.3	115	E386 E411 R423	E386-R414 IonicContact OE1-CZ 3.8Å; E386-R414 VanDerWaalsContact OE1-CZ 3.27Å; E386-R414 IonicContact OE1-NH1 3.33Å; E386-R414 PolarHBondContact OE1-NH1 2.68Å; E386-R414 IonicContact OE1-NH2 3.61Å; E386-R414 PolarHBondContact OE1-NH2 3.21Å; E411-R414 HydrophobicContact CB-CB 4.04Å; E411-R414 VanDerWaalsContact O-CB 3.23Å; E411-R414 WeakPolarHBondContact O-CB 3.39Å; E411-R414 PolarHBondContact O-N 2.96Å; E411-R414 VanDerWaalsContact O-N 3.09Å; E411-R414 WeakPolarHBondContact OE1-CD 3.34Å; E411-R414 IonicContact OE1-NE 3.72Å; E411-R414 PolarHBondContact OE1-NE 2.67Å; R414-R423 PolarHBondContact O-NH1 3.46Å; R414-R423 PolarHBondContact O-NH2 2.95Å
415	W	94.9	Very high	92.6	Very high	21 Å²	21	36.6 Å²	36.6	8%	0.08	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	18.4	-178.1	-55.9	115.2	0	0	0	113.8	A382 E386 L405 K406 E411 R413	A382-W415 HydrophobicContact CB-CE3 3.85Å; A382-W415 HydrophobicContact CB-CZ3 4.09Å; E386-W415 HydrophobicContact CB-CZ3 4.29Å; L405-W415 PolarHBondContact N-O 3.43Å; K406-W415 HydrophobicContact CB-CB 3.94Å; K406-W415 HydrophobicContact CB-CD2 4.46Å; K406-W415 HydrophobicContact CB-CG 3.84Å; K406-W415 HydrophobicContact CD-CD2 3.77Å; K406-W415 HydrophobicContact CD-CE3 4.28Å; K406-W415 HydrophobicContact CD-CG 4Å; K406-W415 HydrophobicContact CD-CZ2 4.14Å; K406-W415 HydrophobicContact CG-CB 4.2Å; K406-W415 HydrophobicContact CG-CD2 4.02Å; K406-W415 HydrophobicContact CG-CE3 4.44Å; K406-W415 HydrophobicContact CG-CG 3.91Å; E411-W415 PolarHBondContact OE1-NE1 3.02Å; E411-W415 PolarHBondContact OE2-NE1 3.03Å; R413-W415 VanDerWaalsContact C-N 3.26Å; R413-W415 PolarHBondContact O-N 2.81Å; R413-W415 VanDerWaalsContact O-N 3.1Å
416	R	94.9	Very high	92.7	Very high	14 Å²	14	41.8 Å²	41.8	5%	0.053	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-76.3	135.5	166.8	-150.8	177.1	73.5	-160.2	-6.5	108.6	E402 I403 Y404 R413 D418 E419 L420 Y636	E402-R416 WeakPolarHBondContact O-CD 3.31Å; E402-R416 VanDerWaalsContact O-CG 3.26Å; E402-R416 WeakPolarHBondContact O-CG 3.26Å; I403-R416 CarbonylContact O-C 3.54Å; I403-R416 VanDerWaalsContact O-CA 3.31Å; I403-R416 WeakPolarHBondContact O-CA 3.1Å; I403-R416 WeakPolarHBondContact O-CG 3.45Å; Y404-R416 HydrophobicContact CD1-CB 4.29Å; Y404-R416 HydrophobicContact CD1-CG 4.48Å; Y404-R416 HydrophobicContact CD2-CG 4.22Å; Y404-R416 HydrophobicContact CE1-CB 4.07Å; Y404-R416 HydrophobicContact CE1-CG 4.26Å; Y404-R416 HydrophobicContact CE2-CG 3.96Å; Y404-R416 HydrophobicContact CG-CG 4.47Å; R413-R416 VanDerWaalsContact CD-NH1 3.33Å; R413-R416 WeakPolarHBondContact O-CB 3.39Å; R413-R416 PolarHBondContact O-N 2.81Å; R416-D418 IonicContact CZ-OD1 3.65Å; R416-D418 IonicContact CZ-OD2 2.69Å; R416-D418 IonicContact NE-OD1 3.5Å; R416-D418 PolarHBondContact NE-OD1 3.35Å; R416-D418 IonicContact NE-OD2 3.88Å; R416-D418 VanDerWaalsContact NH2-CG 3.31Å; R416-D418 IonicContact NH2-OD1 3.94Å; R416-D418 PolarHBondContact NH2-OD1 2.86Å; R416-D418 VanDerWaalsContact NH2-OD1 3.11Å; R416-D418 IonicContact NH2-OD2 3.48Å; R416-D418 PolarHBondContact NH2-OD2 2.99Å; R416-D418 PolarHBondContact O-N 3.1Å; R416-E419 HydrophobicContact CB-CG 4.21Å; R416-E419 IonicContact CZ-OE1 3.88Å; R416-E419 IonicContact NH2-OE1 3.81Å; R416-E419 PolarHBondContact NH2-OE1 3.24Å; R416-E419 PolarHBondContact O-N 2.86Å; R416-L420 WeakPolarHBondContact O-CB 3.47Å; R416-L420 PolarHBondContact O-N 3.26Å; R416-Y636 WeakPolarHBondContact CD-OH 3.43Å; R416-Y636 PolarHBondContact NH1-OH 2.93Å
417	L	97.5	Very high	92.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-46.8	-168.6	174	65.2	0	0	0	112.6	L399 P401 I403 L405 L420 L421 L499	L399-L417 HydrophobicContact CD2-CD2 4.05Å; L399-L417 HydrophobicContact CG-CD2 4.23Å; P401-L417 WeakPolarHBondContact O-CB 3.49Å; I403-L417 HydrophobicContact CD1-CD2 4.32Å; I403-L417 HydrophobicContact CG1-CB 3.93Å; I403-L417 HydrophobicContact CG1-CD2 4.07Å; I403-L417 PolarHBondContact O-N 3.43Å; L405-L417 HydrophobicContact CD1-CD1 4.16Å; L417-L420 PolarHBondContact O-N 2.84Å; L417-L421 HydrophobicContact CD1-CD1 3.86Å; L417-L421 HydrophobicContact CD1-CG 3.99Å; L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 HydrophobicContact CG-CG 4.49Å; L417-L421 WeakPolarHBondContact O-CB 3.37Å; L417-L421 WeakPolarHBondContact O-CG 3.16Å; L417-L421 PolarHBondContact O-N 2.83Å; L417-L499 HydrophobicContact CD1-CD1 4.33Å; L417-L499 HydrophobicContact CD2-CB 4.07Å; L417-L499 HydrophobicContact CD2-CD1 4.11Å
418	D	97.1	Very high	92.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-44.5	177.4	67	-25.7	0	0	0	113.4	P401 R416 L420 L421 K422 R453 L457	P401-D418 HydrophobicContact CB-CB 4.05Å; P401-D418 WeakPolarHBondContact O-CB 3.47Å; P401-D418 PolarHBondContact O-N 2.89Å; R416-D418 IonicContact CZ-OD1 3.65Å; R416-D418 IonicContact CZ-OD2 2.69Å; R416-D418 IonicContact NE-OD1 3.5Å; R416-D418 PolarHBondContact NE-OD1 3.35Å; R416-D418 IonicContact NE-OD2 3.88Å; R416-D418 VanDerWaalsContact NH2-CG 3.31Å; R416-D418 IonicContact NH2-OD1 3.94Å; R416-D418 PolarHBondContact NH2-OD1 2.86Å; R416-D418 VanDerWaalsContact NH2-OD1 3.11Å; R416-D418 IonicContact NH2-OD2 3.48Å; R416-D418 PolarHBondContact NH2-OD2 2.99Å; R416-D418 PolarHBondContact O-N 3.1Å; D418-L420 VanDerWaalsContact C-N 3.35Å; D418-L420 PolarHBondContact O-N 3.32Å; D418-L421 PolarHBondContact O-N 3.06Å; D418-K422 WeakPolarHBondContact O-CB 3.47Å; D418-K422 PolarHBondContact O-N 3.16Å; D418-R453 IonicContact OD2-CZ 2.79Å; D418-R453 IonicContact OD2-NE 3.61Å; D418-R453 IonicContact OD2-NH2 2.6Å; D418-R453 PolarHBondContact OD2-NH2 3.34Å; D418-L457 HydrophobicContact CB-CD1 3.78Å; D418-L457 HydrophobicContact CB-CD2 4.4Å
419	E	97	Very high	92.7	Very high	35 Å²	35	44.4 Å²	44.4	16%	0.164	21%	0.213	C	C	.	.	H	α-helix	trans	-68.3	-33.3	177.8	-56.6	-69.7	176.9	0	0	112.7	R413 R416 R423	R413-E419 HydrophobicContact CB-CG 4.08Å; R413-E419 IonicContact CZ-OE1 3.98Å; R413-E419 IonicContact NH1-OE1 3.61Å; R413-E419 PolarHBondContact NH1-OE1 3.48Å; R413-E419 IonicContact NH1-OE2 3.14Å; R416-E419 HydrophobicContact CB-CG 4.21Å; R416-E419 IonicContact CZ-OE1 3.88Å; R416-E419 IonicContact NH2-OE1 3.81Å; R416-E419 PolarHBondContact NH2-OE1 3.24Å; R416-E419 PolarHBondContact O-N 2.86Å; E419-R423 VanDerWaalsContact O-CB 3.31Å; E419-R423 WeakPolarHBondContact O-CB 3.44Å; E419-R423 PolarHBondContact O-N 3.4Å; E419-R423 PolarHBondContact O-NH1 2.99Å
420	L	97.5	Very high	93	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-52.2	173.6	173.5	62.1	0	0	0	110.5	A382 I385 E386 L405 R416 L417 D418 K422 R423 K424	A382-L420 HydrophobicContact CB-CD2 4.42Å; I385-L420 HydrophobicContact CB-CD2 3.95Å; I385-L420 HydrophobicContact CB-CG 4.36Å; I385-L420 HydrophobicContact CD1-CD2 4.39Å; I385-L420 HydrophobicContact CG2-CD1 3.93Å; I385-L420 HydrophobicContact CG2-CD2 3.65Å; I385-L420 HydrophobicContact CG2-CG 3.56Å; E386-L420 HydrophobicContact CB-CD1 4.36Å; E386-L420 WeakPolarHBondContact OE2-CD1 3.48Å; L405-L420 HydrophobicContact CD1-CD2 3.74Å; R416-L420 WeakPolarHBondContact O-CB 3.47Å; R416-L420 PolarHBondContact O-N 3.26Å; L417-L420 PolarHBondContact O-N 2.84Å; D418-L420 VanDerWaalsContact C-N 3.35Å; D418-L420 PolarHBondContact O-N 3.32Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 2.84Å; L420-R423 PolarHBondContact O-N 2.86Å; L420-K424 WeakPolarHBondContact O-CG 3.49Å; L420-K424 PolarHBondContact O-N 3.27Å
421	L	98.1	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-39.9	177.7	-67.7	177.3	0	0	0	112	I385 I392 I394 L417 D418 K424 A425 V431 L454 I461	I385-L421 HydrophobicContact CG2-CD2 4.27Å; I392-L421 HydrophobicContact CD1-CD2 4.14Å; I392-L421 HydrophobicContact CG2-CD2 4.42Å; I394-L421 HydrophobicContact CD1-CD1 4.03Å; I394-L421 HydrophobicContact CD1-CD2 4.25Å; L417-L421 HydrophobicContact CD1-CD1 3.86Å; L417-L421 HydrophobicContact CD1-CG 3.99Å; L417-L421 HydrophobicContact CG-CD1 4.05Å; L417-L421 HydrophobicContact CG-CG 4.49Å; L417-L421 WeakPolarHBondContact O-CB 3.37Å; L417-L421 WeakPolarHBondContact O-CG 3.16Å; L417-L421 PolarHBondContact O-N 2.83Å; D418-L421 PolarHBondContact O-N 3.06Å; L421-K424 PolarHBondContact O-N 3.38Å; L421-A425 VanDerWaalsContact O-CB 3.29Å; L421-A425 WeakPolarHBondContact O-CB 3.38Å; L421-A425 PolarHBondContact O-N 2.94Å; L421-V431 HydrophobicContact CD1-CG1 4.35Å; L421-V431 HydrophobicContact CD2-CG1 3.99Å; L421-V431 HydrophobicContact CD2-CG2 4.3Å; L421-L454 HydrophobicContact CD1-CD2 4.08Å; L421-I461 HydrophobicContact CB-CD1 4.17Å
422	K	98.1	Very high	94	Very high	66 Å²	66	35.6 Å²	35.6	29%	0.287	17%	0.167	S	C	.	.	H	α-helix	trans	-57.9	-52	173.5	-179.8	-179.7	165.3	-177.9	0	111.4	D418 L420 K424 A425 E426 L457	D418-K422 WeakPolarHBondContact O-CB 3.47Å; D418-K422 PolarHBondContact O-N 3.16Å; L420-K422 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 2.84Å; K422-K424 VanDerWaalsContact C-N 3.29Å; K422-K424 PolarHBondContact O-N 3.24Å; K422-A425 WeakPolarHBondContact O-CB 3.39Å; K422-A425 PolarHBondContact O-N 2.89Å; K422-A425 VanDerWaalsContact O-N 3.08Å; K422-E426 WeakPolarHBondContact CE-OE1 3.33Å; K422-E426 HydrophobicContact CG-CG 4.41Å; K422-E426 IonicContact NZ-OE1 2.79Å; K422-E426 WeakPolarHBondContact O-CG 3.43Å; K422-E426 PolarHBondContact O-N 3.29Å; K422-L457 HydrophobicContact CB-CB 4.13Å; K422-L457 HydrophobicContact CB-CD1 4.47Å; K422-L457 HydrophobicContact CB-CD2 4.45Å; K422-L457 HydrophobicContact CD-CB 4.44Å; K422-L457 HydrophobicContact CD-CD2 4.26Å; K422-L457 HydrophobicContact CG-CB 4.23Å
423	R	97.3	Very high	94.5	Very high	45 Å²	45	34.8 Å²	34.8	17%	0.17	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-39.1	179.1	174	172.2	63.8	-101.8	13.4	112.5	E386 R414 E419 L420 Q427	E386-R423 IonicContact OE1-NE 2.73Å; E386-R423 IonicContact OE1-NH2 3.98Å; E386-R423 IonicContact OE2-CZ 2.78Å; E386-R423 VanDerWaalsContact OE2-CZ 3.25Å; E386-R423 IonicContact OE2-NE 3.54Å; E386-R423 PolarHBondContact OE2-NE 2.66Å; E386-R423 IonicContact OE2-NH2 3.87Å; E386-R423 PolarHBondContact OE2-NH2 2.81Å; R414-R423 PolarHBondContact O-NH1 3.46Å; R414-R423 PolarHBondContact O-NH2 2.95Å; E419-R423 VanDerWaalsContact O-CB 3.31Å; E419-R423 WeakPolarHBondContact O-CB 3.44Å; E419-R423 PolarHBondContact O-N 3.4Å; E419-R423 PolarHBondContact O-NH1 2.99Å; L420-R423 PolarHBondContact O-N 2.86Å; R423-Q427 VanDerWaalsContact O-CG 3.28Å; R423-Q427 WeakPolarHBondContact O-CG 3.36Å; R423-Q427 PolarHBondContact O-N 3.33Å
424	K	97.1	Very high	94.5	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-70.2	-40.1	175	-62.5	-52.8	-61.4	178.4	0	111.7	I385 E386 A388 I392 L420 L421 K422 E426 Q427 G428 V429	I385-K424 HydrophobicContact CG2-CG 4.18Å; I385-K424 WeakPolarHBondContact O-CD 3.5Å; I385-K424 VanDerWaalsContact O-CE 3.3Å; I385-K424 WeakPolarHBondContact O-CE 3.21Å; I385-K424 WeakPolarHBondContact O-CG 3.23Å; E386-K424 WeakPolarHBondContact O-CE 3.41Å; E386-K424 PolarHBondContact O-NZ 2.77Å; A388-K424 WeakPolarHBondContact O-CE 3.45Å; A388-K424 PolarHBondContact O-NZ 2.8Å; I392-K424 HydrophobicContact CD1-CB 4.23Å; I392-K424 HydrophobicContact CD1-CG 4.43Å; L420-K424 WeakPolarHBondContact O-CG 3.49Å; L420-K424 PolarHBondContact O-N 3.27Å; L421-K424 PolarHBondContact O-N 3.38Å; K422-K424 VanDerWaalsContact C-N 3.29Å; K422-K424 PolarHBondContact O-N 3.24Å; K424-E426 PolarHBondContact O-N 3.01Å; K424-Q427 WeakPolarHBondContact O-CB 3.33Å; K424-Q427 PolarHBondContact O-N 2.69Å; K424-Q427 VanDerWaalsContact O-N 3.11Å; K424-G428 PolarHBondContact O-N 3.39Å; K424-V429 HydrophobicContact CB-CB 4.09Å; K424-V429 HydrophobicContact CB-CG2 4.15Å; K424-V429 VanDerWaalsContact O-CB 3.28Å; K424-V429 WeakPolarHBondContact O-CB 3.38Å; K424-V429 WeakPolarHBondContact O-CG2 3.49Å; K424-V429 PolarHBondContact O-N 3.23Å
425	A	96.8	Very high	94.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-41.2	176.1	0	0	0	0	0	112.7	L421 K422 Q427 G428 V429 H458 N460 I461	L421-A425 VanDerWaalsContact O-CB 3.29Å; L421-A425 WeakPolarHBondContact O-CB 3.38Å; L421-A425 PolarHBondContact O-N 2.94Å; K422-A425 WeakPolarHBondContact O-CB 3.39Å; K422-A425 PolarHBondContact O-N 2.89Å; K422-A425 VanDerWaalsContact O-N 3.08Å; A425-Q427 VanDerWaalsContact C-N 3.26Å; A425-Q427 PolarHBondContact O-N 3.47Å; A425-G428 PolarHBondContact O-N 2.75Å; A425-V429 WeakPolarHBondContact CA-O 3.49Å; A425-H458 HydrophobicContact CB-CB 3.68Å; A425-H458 PolarHBondContact O-CE1 3.47Å; A425-H458 PolarHBondContact O-ND1 3.25Å; A425-N460 HydrophobicContact CB-CB 4.22Å; A425-N460 PolarHBondContact O-ND2 3.35Å; A425-I461 HydrophobicContact CB-CD1 3.96Å; A425-I461 HydrophobicContact CB-CG1 3.72Å
426	E	97.3	Very high	94.2	Very high	110 Å²	110	23.8 Å²	23.8	51%	0.514	12%	0.117	S	C	.	.	H	α-helix	trans	-63.5	-27.8	173	-70.8	170.7	154.6	0	0	112.9	K422 K424 G428	K422-E426 WeakPolarHBondContact CE-OE1 3.33Å; K422-E426 HydrophobicContact CG-CG 4.41Å; K422-E426 IonicContact NZ-OE1 2.79Å; K422-E426 WeakPolarHBondContact O-CG 3.43Å; K422-E426 PolarHBondContact O-N 3.29Å; K424-E426 PolarHBondContact O-N 3.01Å; E426-G428 PolarHBondContact O-N 2.66Å
427	Q	94.5	Very high	94	Very high	120 Å²	120	25.3 Å²	25.3	56%	0.561	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-6.5	173	-70.1	168.2	6.3	0	0	113.3	R423 K424 A425	R423-Q427 VanDerWaalsContact O-CG 3.28Å; R423-Q427 WeakPolarHBondContact O-CG 3.36Å; R423-Q427 PolarHBondContact O-N 3.33Å; K424-Q427 WeakPolarHBondContact O-CB 3.33Å; K424-Q427 PolarHBondContact O-N 2.69Å; K424-Q427 VanDerWaalsContact O-N 3.11Å; A425-Q427 VanDerWaalsContact C-N 3.26Å; A425-Q427 PolarHBondContact O-N 3.47Å
428	G	87.8	Confident	93.5	Very high	37 Å²	37	25.5 Å²	25.5	38%	0.381	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	103	1.3	-179.4	0	0	0	0	0	115.2	K424 A425 E426 H430	K424-G428 PolarHBondContact O-N 3.39Å; A425-G428 PolarHBondContact O-N 2.75Å; E426-G428 PolarHBondContact O-N 2.66Å; G428-H430 PolarHBondContact O-CD2 3.29Å
429	V	89.2	Confident	92.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	14%	0.139	C	C	.	.			trans	-72.4	135.5	177.7	-176.8	0	0	0	0	110.4	A388 I392 K424 A425	A388-V429 HydrophobicContact CB-CG1 4.24Å; A388-V429 WeakPolarHBondContact O-CG2 3.36Å; I392-V429 HydrophobicContact CD1-CG1 3.81Å; I392-V429 HydrophobicContact CG1-CG1 3.89Å; K424-V429 HydrophobicContact CB-CB 4.09Å; K424-V429 HydrophobicContact CB-CG2 4.15Å; K424-V429 VanDerWaalsContact O-CB 3.28Å; K424-V429 WeakPolarHBondContact O-CB 3.38Å; K424-V429 WeakPolarHBondContact O-CG2 3.49Å; K424-V429 PolarHBondContact O-N 3.23Å; A425-V429 WeakPolarHBondContact CA-O 3.49Å
430	H	90.8	Very high	91.6	Very high	15 Å²	15	32.1 Å²	32.1	7%	0.069	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.8	176	-75.9	-87.8	0	0	0	112	V15 E390 E391 I392 G428 Y432 N460 H462	V15-H430 VanDerWaalsContact CG2-CE1 3.48Å; V15-H430 WeakPolarHBondContact CG2-CE1 3.4Å; E390-H430 PolarHBondContact O-N 3.26Å; E391-H430 CarbonylContact C-O 3.5Å; E391-H430 VanDerWaalsContact CA-O 3.25Å; E391-H430 WeakPolarHBondContact CA-O 3.26Å; I392-H430 PolarHBondContact N-O 3.42Å; G428-H430 PolarHBondContact O-CD2 3.29Å; H430-Y432 HydrophobicContact CB-CD2 4.43Å; H430-Y432 HydrophobicContact CB-CE2 3.61Å; H430-N460 PolarHBondContact CE1-OD1 2.85Å; H430-H462 AromaticContact ND1-NE2 3.27Å; H430-H462 PolarHBondContact ND1-NE2 2.86Å
431	V	92.5	Very high	90.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.9	-178	-172.5	0	0	0	0	109.4	I392 L421 V433 N460 I461 H462	I392-V431 HydrophobicContact CB-CG1 4.44Å; I392-V431 HydrophobicContact CB-CG2 4.44Å; I392-V431 HydrophobicContact CD1-CG2 4.25Å; I392-V431 CarbonylContact O-C 3.33Å; I392-V431 WeakPolarHBondContact O-CA 3.29Å; L421-V431 HydrophobicContact CD1-CG1 4.35Å; L421-V431 HydrophobicContact CD2-CG1 3.99Å; L421-V431 HydrophobicContact CD2-CG2 4.3Å; V431-V433 HydrophobicContact CG1-CG2 4.04Å; V431-N460 PolarHBondContact N-O 3.35Å; V431-I461 HydrophobicContact CB-CB 4.41Å; V431-I461 HydrophobicContact CB-CG1 4.04Å; V431-I461 HydrophobicContact CB-CG2 4.24Å; V431-I461 HydrophobicContact CG1-CG2 4.36Å; V431-I461 HydrophobicContact CG2-CG1 4.16Å; V431-H462 PolarHBondContact O-N 3.3Å
432	Y	91.3	Very high	88.9	Confident	20 Å²	20	43.7 Å²	43.7	8%	0.078	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.2	-178.8	-61.9	-75.8	0	0	0	110.3	Y12 I392 F393 I394 H430 H462	Y12-Y432 HydrophobicContact CE1-CE1 4.43Å; Y12-Y432 WeakPolarHBondContact CE1-OH 3.34Å; Y12-Y432 AromaticContact CZ-CE1 3.89Å; Y12-Y432 WeakPolarHBondContact OH-CE1 3.47Å; Y12-Y432 PolarHBondContact OH-OH 3.34Å; I392-Y432 PolarHBondContact O-N 3.38Å; F393-Y432 CarbonylContact C-O 3.55Å; F393-Y432 WeakPolarHBondContact CA-O 3.28Å; F393-Y432 AromaticContact CD1-CD2 3.91Å; F393-Y432 HydrophobicContact CD1-CD2 3.91Å; F393-Y432 HydrophobicContact CD1-CG 4.13Å; F393-Y432 AromaticContact CE1-CD2 3.38Å; F393-Y432 HydrophobicContact CE1-CD2 3.38Å; F393-Y432 HydrophobicContact CE1-CE2 4.12Å; F393-Y432 AromaticContact CE1-CG 3.86Å; F393-Y432 HydrophobicContact CE1-CG 3.86Å; F393-Y432 HydrophobicContact CZ-CD2 4.02Å; F393-Y432 HydrophobicContact CZ-CE2 4.44Å; I394-Y432 PolarHBondContact N-O 3.06Å; H430-Y432 HydrophobicContact CB-CD2 4.43Å; H430-Y432 HydrophobicContact CB-CE2 3.61Å; Y432-H462 WeakPolarHBondContact CA-O 3.41Å; Y432-H462 HydrophobicContact CD1-CB 3.82Å; Y432-H462 AromaticContact CD1-CD2 3.65Å; Y432-H462 HydrophobicContact CE1-CB 4.15Å; Y432-H462 AromaticContact CE1-CD2 3.23Å; Y432-H462 WeakPolarHBondContact CE1-CD2 3.33Å; Y432-H462 AromaticContact CE1-CG 3.89Å; Y432-H462 AromaticContact CZ-CD2 3.89Å
433	V	92.5	Very high	87.9	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.4	-176.9	-171.3	0	0	0	0	110.6	I394 L399 V431 L435 L454 H462 V463 L464	I394-V433 HydrophobicContact CB-CG1 4.22Å; I394-V433 HydrophobicContact CB-CG2 4.23Å; I394-V433 HydrophobicContact CD1-CG2 4.35Å; I394-V433 HydrophobicContact CG2-CG1 4.35Å; I394-V433 CarbonylContact O-C 3.52Å; I394-V433 WeakPolarHBondContact O-CA 3.29Å; L399-V433 HydrophobicContact CD1-CG1 3.88Å; V431-V433 HydrophobicContact CG1-CG2 4.04Å; V433-L435 HydrophobicContact CG1-CD2 3.6Å; V433-L435 HydrophobicContact CG1-CG 3.9Å; V433-L454 HydrophobicContact CG1-CD1 4.48Å; V433-L454 HydrophobicContact CG2-CD1 4.28Å; V433-H462 PolarHBondContact N-O 3.22Å; V433-V463 HydrophobicContact CB-CB 4.43Å; V433-V463 HydrophobicContact CB-CG1 4.13Å; V433-V463 HydrophobicContact CB-CG2 4.06Å; V433-V463 HydrophobicContact CG1-CG1 4.35Å; V433-V463 HydrophobicContact CG2-CG2 4.27Å; V433-V463 WeakPolarHBondContact O-CA 3.37Å; V433-L464 PolarHBondContact O-N 3.38Å
434	L	88.8	Confident	87	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.052	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.1	165.4	179.9	73.5	0	0	0	109.2	I394 T395 D396 L464 H466 S677 V679	I394-L434 PolarHBondContact O-N 2.89Å; T395-L434 WeakPolarHBondContact CA-O 3.2Å; T395-L434 HydrophobicContact CG2-CB 4.24Å; T395-L434 HydrophobicContact CG2-CD2 4.39Å; D396-L434 PolarHBondContact N-O 3.26Å; L434-L464 HydrophobicContact CD1-CB 4.31Å; L434-H466 HydrophobicContact CD1-CB 4.21Å; L434-S677 VanDerWaalsContact CD2-CB 3.43Å; L434-V679 HydrophobicContact CB-CG2 4.33Å; L434-V679 HydrophobicContact CD1-CG2 4.04Å
435	L	91.2	Very high	86.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	144.9	171.7	-56.5	-180	0	0	0	110.5	D396 L399 V433 K437 V463 L464 R465 H466	D396-L435 HydrophobicContact CB-CD2 4.05Å; L399-L435 HydrophobicContact CB-CD2 3.5Å; L399-L435 HydrophobicContact CD1-CD2 4.1Å; L399-L435 HydrophobicContact CG-CD2 4.43Å; V433-L435 HydrophobicContact CG1-CD2 3.6Å; V433-L435 HydrophobicContact CG1-CG 3.9Å; L435-K437 PolarHBondContact O-N 3.37Å; L435-V463 HydrophobicContact CD1-CG1 4.08Å; L435-V463 HydrophobicContact CG-CG1 4.26Å; L435-L464 PolarHBondContact N-O 3.34Å; L435-R465 HydrophobicContact CB-CG 4.43Å; L435-R465 VanDerWaalsContact O-CA 3.26Å; L435-R465 WeakPolarHBondContact O-CA 3.49Å; L435-H466 PolarHBondContact O-N 3.33Å
436	Y	91.3	Very high	86.1	Confident	11 Å²	11	46.4 Å²	46.4	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	132.3	160.3	171.3	-129.7	0	0	0	109.9	D396 W397 E438 L443 I445 S447 H466 A479	D396-Y436 PolarHBondContact O-N 2.92Å; W397-Y436 AromaticContact CD1-CD1 3.57Å; W397-Y436 HydrophobicContact CD2-CD1 4.48Å; W397-Y436 AromaticContact CE2-CD1 3.98Å; W397-Y436 HydrophobicContact CG-CD1 4.25Å; W397-Y436 AromaticContact NE1-CD1 3.38Å; W397-Y436 AromaticContact NE1-CE1 3.58Å; Y436-E438 HydrophobicContact CE1-CB 4.22Å; Y436-L443 HydrophobicContact CE1-CD1 3.77Å; Y436-I445 HydrophobicContact CD1-CD1 3.97Å; Y436-S447 VanDerWaalsContact O-CB 3.31Å; Y436-S447 WeakPolarHBondContact O-CB 3.31Å; Y436-S447 PolarHBondContact O-OG 3.28Å; Y436-H466 WeakPolarHBondContact CA-O 3.21Å; Y436-A479 HydrophobicContact CD1-CB 4.07Å; Y436-A479 HydrophobicContact CD2-CB 3.73Å; Y436-A479 HydrophobicContact CE1-CB 3.9Å; Y436-A479 HydrophobicContact CE2-CB 3.57Å; Y436-A479 HydrophobicContact CG-CB 3.99Å
437	K	90.9	Very high	85.8	Confident	46 Å²	46	41.3 Å²	41.3	20%	0.2	23%	0.231	C	C	.	.			trans	-91.5	112.2	170.8	-173.3	176.3	173.1	-157.5	0	108.3	L435 R465 H466 P467 D468 H469	L435-K437 PolarHBondContact O-N 3.37Å; K437-R465 HydrophobicContact CB-CB 3.91Å; K437-R465 HydrophobicContact CG-CB 4.35Å; K437-H466 PolarHBondContact N-O 3.4Å; K437-P467 WeakPolarHBondContact CD-O 3.42Å; K437-D468 IonicContact NZ-OD1 2.88Å; K437-D468 PolarHBondContact NZ-OD1 2.87Å; K437-H469 PolarHBondContact O-NE2 3.33Å
438	E	87.4	Confident	85.7	Confident	5 Å²	5	38.2 Å²	38.2	2%	0.023	22%	0.218	C	C	.	.			trans	-76.1	149.9	-179.8	74.5	-67.7	165.6	0	0	114.3	Y436 Q440 L443 I445 S447 R465	Y436-E438 HydrophobicContact CE1-CB 4.22Å; E438-Q440 HydrophobicContact CG-CG 4.02Å; E438-Q440 PolarHBondContact O-N 2.92Å; E438-Q440 VanDerWaalsContact O-N 3.14Å; E438-Q440 WeakPolarHBondContact OE1-CG 3.49Å; E438-Q440 PolarHBondContact OE1-NE2 3.37Å; E438-Q440 VanDerWaalsContact OE1-NE2 3.13Å; E438-L443 HydrophobicContact CB-CB 4.06Å; E438-L443 HydrophobicContact CB-CD1 4.42Å; E438-I445 HydrophobicContact CB-CD1 3.93Å; E438-I445 HydrophobicContact CB-CG1 3.75Å; E438-I445 HydrophobicContact CG-CD1 4.43Å; E438-I445 HydrophobicContact CG-CG1 3.79Å; E438-S447 PolarHBondContact OE1-N 3.5Å; E438-S447 WeakPolarHBondContact OE2-CB 3.29Å; E438-S447 PolarHBondContact OE2-N 2.96Å; E438-S447 PolarHBondContact OE2-OG 2.84Å; E438-R465 IonicContact OE2-NH1 2.73Å
439	V	82.1	Confident	86	Confident	48 Å²	48	39 Å²	39	29%	0.291	21%	0.21	S	C	.	.			trans	-70.5	99.6	155.5	-178.2	0	0	0	0	107.7	I441 A442 L443 H469	V439-I441 PolarHBondContact O-N 2.9Å; V439-A442 HydrophobicContact CB-CB 4.28Å; V439-A442 HydrophobicContact CG1-CB 4.22Å; V439-A442 PolarHBondContact O-N 2.94Å; V439-L443 PolarHBondContact O-N 3.4Å; V439-L443 VanDerWaalsContact O-N 3.16Å; V439-H469 WeakPolarHBondContact CG2-NE2 3.32Å; V439-H469 PolarHBondContact N-NE2 2.96Å
440	Q	72	Confident	86.3	Confident	125 Å²	125	39 Å²	39	58%	0.584	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.6	-168.7	-61	-165.9	-43.5	0	0	115.9	E438	E438-Q440 HydrophobicContact CG-CG 4.02Å; E438-Q440 PolarHBondContact O-N 2.92Å; E438-Q440 VanDerWaalsContact O-N 3.14Å; E438-Q440 WeakPolarHBondContact OE1-CG 3.49Å; E438-Q440 PolarHBondContact OE1-NE2 3.37Å; E438-Q440 VanDerWaalsContact OE1-NE2 3.13Å
441	I	69.2	Low	86.5	Confident	167 Å²	167	40.6 Å²	40.6	86%	0.856	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-20.4	176.7	-62.4	170.2	0	0	0	111.4	V439	V439-I441 PolarHBondContact O-N 2.9Å
442	A	69.5	Low	86.6	Confident	77 Å²	77	47.9 Å²	47.9	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-24.5	-174.9	0	0	0	0	0	114	V439	V439-A442 HydrophobicContact CB-CB 4.28Å; V439-A442 HydrophobicContact CG1-CB 4.22Å; V439-A442 PolarHBondContact O-N 2.94Å
443	L	77.5	Confident	86.8	Confident	56 Å²	56	50.3 Å²	50.3	29%	0.293	25%	0.253	S	S	.	.			trans	-137.3	131.8	-174.8	-69.7	171.9	0	0	0	112.2	W397 Y436 E438 V439 I445	W397-L443 HydrophobicContact CH2-CD2 4.4Å; W397-L443 HydrophobicContact CZ2-CD1 3.97Å; W397-L443 HydrophobicContact CZ2-CD2 4.28Å; Y436-L443 HydrophobicContact CE1-CD1 3.77Å; E438-L443 HydrophobicContact CB-CB 4.06Å; E438-L443 HydrophobicContact CB-CD1 4.42Å; V439-L443 PolarHBondContact O-N 3.4Å; V439-L443 VanDerWaalsContact O-N 3.16Å; L443-I445 VanDerWaalsContact C-N 3.34Å; L443-I445 PolarHBondContact O-N 3.34Å
444	G	77.5	Confident	87	Confident	30 Å²	30	50.1 Å²	50.1	31%	0.309	25%	0.251	S	S	.	.			trans	-78.5	-1.7	-174.5	0	0	0	0	0	116.5	K446 I632	G444-K446 WeakPolarHBondContact O-CG 3.28Å; G444-K446 PolarHBondContact O-N 3.41Å; G444-I632 WeakPolarHBondContact O-CD1 3.31Å
445	I	85.2	Confident	87.2	Confident	9 Å²	9	56 Å²	56	5%	0.046	27%	0.273	C	S	.	.			trans	-63.6	-17.5	-164.9	67	165.7	0	0	0	116.1	W397 W398 Y436 E438 L443 S447	W397-I445 HydrophobicContact CE3-CG2 4.46Å; W397-I445 HydrophobicContact CH2-CG2 3.81Å; W397-I445 HydrophobicContact CZ3-CG2 3.71Å; W397-I445 VanDerWaalsContact O-CD1 3.31Å; W397-I445 WeakPolarHBondContact O-CD1 3.25Å; W398-I445 HydrophobicContact CB-CB 4.29Å; W398-I445 HydrophobicContact CB-CD1 4.48Å; W398-I445 HydrophobicContact CB-CG2 4.09Å; W398-I445 HydrophobicContact CD2-CB 4.27Å; W398-I445 HydrophobicContact CD2-CG2 4.05Å; W398-I445 HydrophobicContact CG-CB 3.82Å; W398-I445 HydrophobicContact CG-CG2 3.85Å; W398-I445 PolarHBondContact NE1-O 2.88Å; W398-I445 VanDerWaalsContact NE1-O 3.09Å; Y436-I445 HydrophobicContact CD1-CD1 3.97Å; E438-I445 HydrophobicContact CB-CD1 3.93Å; E438-I445 HydrophobicContact CB-CG1 3.75Å; E438-I445 HydrophobicContact CG-CD1 4.43Å; E438-I445 HydrophobicContact CG-CG1 3.79Å; L443-I445 VanDerWaalsContact C-N 3.34Å; L443-I445 PolarHBondContact O-N 3.34Å; I445-S447 PolarHBondContact O-N 3.05Å
446	K	89.4	Confident	87.5	Confident	82 Å²	82	62.5 Å²	62.5	36%	0.357	30%	0.303	S	S	.	.			trans	46.1	51.9	-179.5	-60	-165.7	-176.3	-169.8	0	114.7	G444 L448 Y449 I632 D633	G444-K446 WeakPolarHBondContact O-CG 3.28Å; G444-K446 PolarHBondContact O-N 3.41Å; K446-L448 PolarHBondContact O-N 3.47Å; K446-Y449 VanDerWaalsContact O-CB 3.32Å; K446-Y449 WeakPolarHBondContact O-CB 3.31Å; K446-Y449 PolarHBondContact O-N 3.05Å; K446-I632 HydrophobicContact CD-CB 4.36Å; K446-I632 HydrophobicContact CG-CD1 4.43Å; K446-D633 IonicContact NZ-OD1 3.79Å; K446-D633 PolarHBondContact NZ-OD1 3.3Å
447	S	91.9	Very high	87.7	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-19.3	-179.3	67.9	0	0	0	0	114.3	Y436 E438 I445 K451 R465	Y436-S447 VanDerWaalsContact O-CB 3.31Å; Y436-S447 WeakPolarHBondContact O-CB 3.31Å; Y436-S447 PolarHBondContact O-OG 3.28Å; E438-S447 PolarHBondContact OE1-N 3.5Å; E438-S447 WeakPolarHBondContact OE2-CB 3.29Å; E438-S447 PolarHBondContact OE2-N 2.96Å; E438-S447 PolarHBondContact OE2-OG 2.84Å; I445-S447 PolarHBondContact O-N 3.05Å; S447-K451 WeakPolarHBondContact O-CB 2.86Å; S447-K451 PolarHBondContact O-N 3.3Å; S447-R465 WeakPolarHBondContact O-CD 3.43Å; S447-R465 WeakPolarHBondContact OG-CD 3.19Å; S447-R465 PolarHBondContact OG-NH1 2.87Å
448	L	92.5	Very high	88	Confident	55 Å²	55	63.1 Å²	63.1	29%	0.288	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-35.5	171	-178.1	59.7	0	0	0	112.8	K446 R452	K446-L448 PolarHBondContact O-N 3.47Å; L448-R452 WeakPolarHBondContact O-CG 3.3Å; L448-R452 PolarHBondContact O-N 2.73Å
449	Y	93.8	Very high	88.4	Confident	54 Å²	54	66.6 Å²	66.6	21%	0.212	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-55.4	173.7	173	-98.3	0	0	0	109.7	E402 K446 K451 R452 R453 I632 D633	E402-Y449 PolarHBondContact OE1-OH 3.41Å; E402-Y449 VanDerWaalsContact OE1-OH 3.13Å; K446-Y449 VanDerWaalsContact O-CB 3.32Å; K446-Y449 WeakPolarHBondContact O-CB 3.31Å; K446-Y449 PolarHBondContact O-N 3.05Å; Y449-K451 VanDerWaalsContact C-N 3.26Å; Y449-K451 PolarHBondContact O-N 2.73Å; Y449-R452 PolarHBondContact O-N 3.36Å; Y449-R453 WeakPolarHBondContact O-CB 3.2Å; Y449-R453 PolarHBondContact O-N 3.47Å; Y449-I632 HydrophobicContact CD1-CG2 4.35Å; Y449-D633 HydrophobicContact CD2-CB 3.88Å; Y449-D633 HydrophobicContact CE2-CB 3.75Å
450	S	94.8	Very high	89	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-40.5	179.1	-42.7	0	0	0	0	112	L399 L454	L399-S450 WeakPolarHBondContact O-CB 3.41Å; L399-S450 PolarHBondContact O-OG 3.05Å; S450-L454 VanDerWaalsContact O-CB 3.29Å; S450-L454 WeakPolarHBondContact O-CB 3.32Å; S450-L454 VanDerWaalsContact O-CG 3.28Å; S450-L454 WeakPolarHBondContact O-CG 3.35Å; S450-L454 PolarHBondContact O-N 3.33Å
451	K	94.8	Very high	90	Very high	49 Å²	49	59.1 Å²	59.1	21%	0.213	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-43.6	173.5	166.9	160.6	178.2	151.6	0	113.7	S447 Y449 R455 V463 R465	S447-K451 WeakPolarHBondContact O-CB 2.86Å; S447-K451 PolarHBondContact O-N 3.3Å; Y449-K451 VanDerWaalsContact C-N 3.26Å; Y449-K451 PolarHBondContact O-N 2.73Å; K451-R455 WeakPolarHBondContact O-CB 3.4Å; K451-R455 VanDerWaalsContact O-CG 3.26Å; K451-R455 WeakPolarHBondContact O-CG 3.48Å; K451-R455 PolarHBondContact O-N 2.62Å; K451-V463 HydrophobicContact CB-CB 4.33Å; K451-V463 HydrophobicContact CB-CG1 3.82Å; K451-V463 HydrophobicContact CD-CB 4.48Å; K451-V463 HydrophobicContact CD-CG1 4.35Å; K451-V463 WeakPolarHBondContact CE-O 3.28Å; K451-V463 HydrophobicContact CG-CB 4.09Å; K451-V463 HydrophobicContact CG-CG1 4.05Å; K451-V463 PolarHBondContact NZ-O 3.46Å; K451-R465 HydrophobicContact CB-CG 4.38Å; K451-R465 HydrophobicContact CD-CG 3.82Å
452	R	95.5	Very high	91.1	Very high	154 Å²	154	52.1 Å²	52.1	58%	0.581	26%	0.257	S	S	*	.	H	α-helix	trans	-65.4	-56.9	178.4	-79.2	177.8	177.9	175.3	-1.9	109.7	L448 Y449 L454 R455 E456	L448-R452 WeakPolarHBondContact O-CG 3.3Å; L448-R452 PolarHBondContact O-N 2.73Å; Y449-R452 PolarHBondContact O-N 3.36Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 3.19Å; R452-R455 PolarHBondContact O-N 3.29Å; R452-R455 VanDerWaalsContact O-N 3.07Å; R452-E456 VanDerWaalsContact O-CG 3.31Å; R452-E456 WeakPolarHBondContact O-CG 3.24Å; R452-E456 PolarHBondContact O-N 3.39Å
453	R	94.6	Very high	92.2	Very high	71 Å²	71	48.7 Å²	48.7	27%	0.268	23%	0.228	S	C	.	.	H	α-helix	trans	-51	-48.7	-178.9	-178.1	68.2	-172.1	142	9.7	112.6	P401 E402 D418 Y449 L457	P401-R453 HydrophobicContact CB-CG 3.92Å; P401-R453 HydrophobicContact CG-CB 4.17Å; P401-R453 HydrophobicContact CG-CG 3.98Å; E402-R453 WeakPolarHBondContact OE1-CG 3.49Å; E402-R453 IonicContact OE1-NE 3.84Å; D418-R453 IonicContact OD2-CZ 2.79Å; D418-R453 IonicContact OD2-NE 3.61Å; D418-R453 IonicContact OD2-NH2 2.6Å; D418-R453 PolarHBondContact OD2-NH2 3.34Å; Y449-R453 WeakPolarHBondContact O-CB 3.2Å; Y449-R453 PolarHBondContact O-N 3.47Å; R453-L457 WeakPolarHBondContact O-CG 3.07Å
454	L	96.4	Very high	92.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.9	-40.2	179.6	-74.1	173.9	0	0	0	113.5	L399 P401 L421 V433 S450 R452 E456 L457 I461 V463	L399-L454 HydrophobicContact CD1-CD1 4.25Å; L399-L454 HydrophobicContact CD2-CD1 3.9Å; P401-L454 HydrophobicContact CB-CD2 4.17Å; P401-L454 HydrophobicContact CB-CG 4.38Å; P401-L454 HydrophobicContact CG-CD2 4.44Å; P401-L454 HydrophobicContact CG-CG 4.13Å; L421-L454 HydrophobicContact CD1-CD2 4.08Å; V433-L454 HydrophobicContact CG1-CD1 4.48Å; V433-L454 HydrophobicContact CG2-CD1 4.28Å; S450-L454 VanDerWaalsContact O-CB 3.29Å; S450-L454 WeakPolarHBondContact O-CB 3.32Å; S450-L454 VanDerWaalsContact O-CG 3.28Å; S450-L454 WeakPolarHBondContact O-CG 3.35Å; S450-L454 PolarHBondContact O-N 3.33Å; R452-L454 VanDerWaalsContact C-N 3.34Å; R452-L454 PolarHBondContact O-N 3.19Å; L454-E456 VanDerWaalsContact C-N 3.3Å; L454-E456 PolarHBondContact O-N 2.86Å; L454-L457 HydrophobicContact CD2-CD1 4.01Å; L454-L457 WeakPolarHBondContact O-CB 3.37Å; L454-L457 PolarHBondContact O-N 2.98Å; L454-I461 HydrophobicContact CB-CG2 4.08Å; L454-I461 WeakPolarHBondContact O-CG2 3.39Å; L454-V463 HydrophobicContact CB-CG2 3.78Å; L454-V463 HydrophobicContact CD1-CG2 4.07Å
455	R	94.8	Very high	93.3	Very high	134 Å²	134	49.1 Å²	49.1	51%	0.506	22%	0.219	S	C	.	.	H	α-helix	trans	-73.2	-22.5	-179.7	-71.8	-170.9	71.8	-151.5	1.5	113.5	K451 R452 L457 V463	K451-R455 WeakPolarHBondContact O-CB 3.4Å; K451-R455 VanDerWaalsContact O-CG 3.26Å; K451-R455 WeakPolarHBondContact O-CG 3.48Å; K451-R455 PolarHBondContact O-N 2.62Å; R452-R455 PolarHBondContact O-N 3.29Å; R452-R455 VanDerWaalsContact O-N 3.07Å; R455-L457 VanDerWaalsContact C-N 3.28Å; R455-V463 HydrophobicContact CG-CB 4.06Å; R455-V463 HydrophobicContact CG-CG2 3.88Å
456	E	96.2	Very high	93.3	Very high	137 Å²	137	50.4 Å²	50.4	64%	0.64	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.8	175.9	-73.7	157.3	-162.5	0	0	112.8	R452 L454	R452-E456 VanDerWaalsContact O-CG 3.31Å; R452-E456 WeakPolarHBondContact O-CG 3.24Å; R452-E456 PolarHBondContact O-N 3.39Å; L454-E456 VanDerWaalsContact C-N 3.3Å; L454-E456 PolarHBondContact O-N 2.86Å
457	L	96.4	Very high	93	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.12	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-45	-177.5	-61.4	166.4	0	0	0	113.4	D418 K422 R453 L454 R455 I461	D418-L457 HydrophobicContact CB-CD1 3.78Å; D418-L457 HydrophobicContact CB-CD2 4.4Å; K422-L457 HydrophobicContact CB-CB 4.13Å; K422-L457 HydrophobicContact CB-CD1 4.47Å; K422-L457 HydrophobicContact CB-CD2 4.45Å; K422-L457 HydrophobicContact CD-CB 4.44Å; K422-L457 HydrophobicContact CD-CD2 4.26Å; K422-L457 HydrophobicContact CG-CB 4.23Å; R453-L457 WeakPolarHBondContact O-CG 3.07Å; L454-L457 HydrophobicContact CD2-CD1 4.01Å; L454-L457 WeakPolarHBondContact O-CB 3.37Å; L454-L457 PolarHBondContact O-N 2.98Å; R455-L457 VanDerWaalsContact C-N 3.28Å; L457-I461 HydrophobicContact CB-CD1 4.07Å; L457-I461 HydrophobicContact CD1-CD1 4.12Å
458	H	97.6	Very high	92.4	Very high	47 Å²	47	50.4 Å²	50.4	22%	0.218	23%	0.229	C	C	.	.			trans	-165.9	144.1	-175.7	-164.2	-98.1	0	0	0	111.4	A425 N460 I461	A425-H458 HydrophobicContact CB-CB 3.68Å; A425-H458 PolarHBondContact O-CE1 3.47Å; A425-H458 PolarHBondContact O-ND1 3.25Å; H458-N460 VanDerWaalsContact C-N 3.25Å; H458-N460 WeakPolarHBondContact ND1-CB 3.45Å; H458-N460 PolarHBondContact ND1-N 3.05Å; H458-N460 PolarHBondContact O-N 2.85Å; H458-I461 HydrophobicContact CB-CD1 4.46Å; H458-I461 HydrophobicContact CB-CG1 4.27Å; H458-I461 PolarHBondContact O-N 2.89Å
459	P	94.8	Very high	91.5	Very high	77 Å²	77	49.5 Å²	49.5	50%	0.5	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-30.2	179.5	20.8	-34.1	0	0	0	114.8	I461 H462	P459-I461 PolarHBondContact O-N 2.79Å; P459-I461 VanDerWaalsContact O-N 3.14Å; P459-H462 PolarHBondContact O-CE1 3.23Å; P459-H462 PolarHBondContact O-ND1 3.45Å
460	N	94	Very high	90.1	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.08	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	0.8	176.2	-60.6	-2.8	0	0	0	114	A425 H430 V431 H458 H462	A425-N460 HydrophobicContact CB-CB 4.22Å; A425-N460 PolarHBondContact O-ND2 3.35Å; H430-N460 PolarHBondContact CE1-OD1 2.85Å; V431-N460 PolarHBondContact N-O 3.35Å; H458-N460 VanDerWaalsContact C-N 3.25Å; H458-N460 WeakPolarHBondContact ND1-CB 3.45Å; H458-N460 PolarHBondContact ND1-N 3.05Å; H458-N460 PolarHBondContact O-N 2.85Å; N460-H462 PolarHBondContact O-CD2 3.1Å; N460-H462 VanDerWaalsContact O-CD2 3.31Å; N460-H462 PolarHBondContact O-NE2 3.01Å
461	I	94.5	Very high	88.1	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.7	176	-53.2	-169.9	0	0	0	110.1	L421 A425 V431 L454 L457 H458 P459 V463	L421-I461 HydrophobicContact CB-CD1 4.17Å; A425-I461 HydrophobicContact CB-CD1 3.96Å; A425-I461 HydrophobicContact CB-CG1 3.72Å; V431-I461 HydrophobicContact CB-CB 4.41Å; V431-I461 HydrophobicContact CB-CG1 4.04Å; V431-I461 HydrophobicContact CB-CG2 4.24Å; V431-I461 HydrophobicContact CG1-CG2 4.36Å; V431-I461 HydrophobicContact CG2-CG1 4.16Å; L454-I461 HydrophobicContact CB-CG2 4.08Å; L454-I461 WeakPolarHBondContact O-CG2 3.39Å; L457-I461 HydrophobicContact CB-CD1 4.07Å; L457-I461 HydrophobicContact CD1-CD1 4.12Å; H458-I461 HydrophobicContact CB-CD1 4.46Å; H458-I461 HydrophobicContact CB-CG1 4.27Å; H458-I461 PolarHBondContact O-N 2.89Å; P459-I461 PolarHBondContact O-N 2.79Å; P459-I461 VanDerWaalsContact O-N 3.14Å; I461-V463 HydrophobicContact CG2-CG2 4.27Å
462	H	92.3	Very high	86	Confident	19 Å²	19	60 Å²	60	9%	0.088	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115	-172.2	-47.5	-70.3	0	0	0	110.2	L11 H430 V431 Y432 V433 P459 N460	L11-H462 HydrophobicContact CD2-CB 3.96Å; H430-H462 AromaticContact ND1-NE2 3.27Å; H430-H462 PolarHBondContact ND1-NE2 2.86Å; V431-H462 PolarHBondContact O-N 3.3Å; Y432-H462 WeakPolarHBondContact CA-O 3.41Å; Y432-H462 HydrophobicContact CD1-CB 3.82Å; Y432-H462 AromaticContact CD1-CD2 3.65Å; Y432-H462 HydrophobicContact CE1-CB 4.15Å; Y432-H462 AromaticContact CE1-CD2 3.23Å; Y432-H462 WeakPolarHBondContact CE1-CD2 3.33Å; Y432-H462 AromaticContact CE1-CG 3.89Å; Y432-H462 AromaticContact CZ-CD2 3.89Å; V433-H462 PolarHBondContact N-O 3.22Å; P459-H462 PolarHBondContact O-CE1 3.23Å; P459-H462 PolarHBondContact O-ND1 3.45Å; N460-H462 PolarHBondContact O-CD2 3.1Å; N460-H462 VanDerWaalsContact O-CD2 3.31Å; N460-H462 PolarHBondContact O-NE2 3.01Å
463	V	92.3	Very high	84.1	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.7	-176.9	-171	0	0	0	0	112.8	V433 L435 K451 L454 R455 I461	V433-V463 HydrophobicContact CB-CB 4.43Å; V433-V463 HydrophobicContact CB-CG1 4.13Å; V433-V463 HydrophobicContact CB-CG2 4.06Å; V433-V463 HydrophobicContact CG1-CG1 4.35Å; V433-V463 HydrophobicContact CG2-CG2 4.27Å; V433-V463 WeakPolarHBondContact O-CA 3.37Å; L435-V463 HydrophobicContact CD1-CG1 4.08Å; L435-V463 HydrophobicContact CG-CG1 4.26Å; K451-V463 HydrophobicContact CB-CB 4.33Å; K451-V463 HydrophobicContact CB-CG1 3.82Å; K451-V463 HydrophobicContact CD-CB 4.48Å; K451-V463 HydrophobicContact CD-CG1 4.35Å; K451-V463 WeakPolarHBondContact CE-O 3.28Å; K451-V463 HydrophobicContact CG-CB 4.09Å; K451-V463 HydrophobicContact CG-CG1 4.05Å; K451-V463 PolarHBondContact NZ-O 3.46Å; L454-V463 HydrophobicContact CB-CG2 3.78Å; L454-V463 HydrophobicContact CD1-CG2 4.07Å; R455-V463 HydrophobicContact CG-CB 4.06Å; R455-V463 HydrophobicContact CG-CG2 3.88Å; I461-V463 HydrophobicContact CG2-CG2 4.27Å
464	L	87	Confident	82.4	Confident	47 Å²	47	55 Å²	55	25%	0.246	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	153.2	174.5	-69.2	169.6	0	0	0	110.5	V433 L434 L435 V679	V433-L464 PolarHBondContact O-N 3.38Å; L434-L464 HydrophobicContact CD1-CB 4.31Å; L435-L464 PolarHBondContact N-O 3.34Å; L464-V679 HydrophobicContact CD1-CB 4.26Å; L464-V679 HydrophobicContact CD1-CG1 4.09Å; L464-V679 HydrophobicContact CD1-CG2 3.77Å
465	R	90.3	Very high	80.9	Confident	49 Å²	49	55.5 Å²	55.5	19%	0.185	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.9	176.3	-48	-168.7	-61.1	144.1	-1.8	109.4	L435 K437 E438 S447 K451	L435-R465 HydrophobicContact CB-CG 4.43Å; L435-R465 VanDerWaalsContact O-CA 3.26Å; L435-R465 WeakPolarHBondContact O-CA 3.49Å; K437-R465 HydrophobicContact CB-CB 3.91Å; K437-R465 HydrophobicContact CG-CB 4.35Å; E438-R465 IonicContact OE2-NH1 2.73Å; S447-R465 WeakPolarHBondContact O-CD 3.43Å; S447-R465 WeakPolarHBondContact OG-CD 3.19Å; S447-R465 PolarHBondContact OG-NH1 2.87Å; K451-R465 HydrophobicContact CB-CG 4.38Å; K451-R465 HydrophobicContact CD-CG 3.82Å
466	H	84.6	Confident	79.8	Confident	36 Å²	36	53.8 Å²	53.8	17%	0.167	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	147.3	-175.8	-168.9	-97.1	0	0	0	110.1	L434 L435 Y436 K437 H480 N678 W715	L434-H466 HydrophobicContact CD1-CB 4.21Å; L435-H466 PolarHBondContact O-N 3.33Å; Y436-H466 WeakPolarHBondContact CA-O 3.21Å; K437-H466 PolarHBondContact N-O 3.4Å; H466-H480 AromaticContact CE1-NE2 3.85Å; H466-H480 AromaticContact CG-NE2 3.74Å; H466-H480 AromaticContact ND1-CD2 3.64Å; H466-H480 AromaticContact ND1-CE1 3.98Å; H466-H480 AromaticContact ND1-NE2 2.86Å; H466-H480 PolarHBondContact ND1-NE2 3.43Å; H466-H480 PolarHBondContact O-CD2 3.31Å; H466-N678 PolarHBondContact NE2-ND2 3.38Å; H466-W715 AromaticContact CE1-CE3 3.92Å; H466-W715 PolarHBondContact CE1-O 3.2Å; H466-W715 VanDerWaalsContact CE1-O 3.24Å; H466-W715 AromaticContact ND1-CZ3 3.94Å
467	P	85.1	Confident	79	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.013	30%	0.303	C	S	.	.			cis	-87.8	158.3	3.2	35.6	-34.5	0	0	0	114.6	K437 H469 V475 W715	K437-P467 WeakPolarHBondContact CD-O 3.42Å; P467-H469 PolarHBondContact O-N 3.27Å; P467-V475 HydrophobicContact CB-CB 4.11Å; P467-V475 HydrophobicContact CB-CG1 4.02Å; P467-V475 HydrophobicContact CG-CB 4.19Å; P467-V475 HydrophobicContact CG-CG1 3.68Å; P467-W715 HydrophobicContact CB-CE3 4.14Å; P467-W715 HydrophobicContact CB-CZ3 3.93Å; P467-W715 HydrophobicContact CG-CE3 4.46Å; P467-W715 HydrophobicContact CG-CZ3 3.93Å
468	D	77.9	Confident	78.6	Confident	83 Å²	83	50.5 Å²	50.5	44%	0.444	30%	0.304	S	S	.	.			trans	-82.9	107.8	167.5	-79.8	-39	0	0	0	110.6	K437 L470 S473	K437-D468 IonicContact NZ-OD1 2.88Å; K437-D468 PolarHBondContact NZ-OD1 2.87Å; D468-L470 HydrophobicContact CB-CG 4.48Å; D468-L470 PolarHBondContact O-N 3.46Å; D468-S473 WeakPolarHBondContact O-CB 3.45Å; D468-S473 PolarHBondContact O-OG 2.96Å
469	H	74.4	Confident	78.3	Confident	36 Å²	36	48.4 Å²	48.4	17%	0.167	29%	0.294	C	S	.	.			trans	-70.9	42.3	177.4	-47	-60.7	0	0	0	114.4	K437 V439 P467 V475 F476	K437-H469 PolarHBondContact O-NE2 3.33Å; V439-H469 WeakPolarHBondContact CG2-NE2 3.32Å; V439-H469 PolarHBondContact N-NE2 2.96Å; P467-H469 PolarHBondContact O-N 3.27Å; H469-V475 PolarHBondContact ND1-O 2.6Å; H469-F476 HydrophobicContact CB-CD1 3.97Å; H469-F476 HydrophobicContact CB-CE1 3.84Å; H469-F476 WeakPolarHBondContact O-CE1 3.34Å
470	L	64	Low	78	Confident	116 Å²	116	45 Å²	45	61%	0.607	27%	0.271	S	S	*	.			trans	-69.4	141.6	174.7	-69.6	172.5	0	0	0	110.2	D468 G472 S473	D468-L470 HydrophobicContact CB-CG 4.48Å; D468-L470 PolarHBondContact O-N 3.46Å; L470-G472 PolarHBondContact O-N 3.45Å; L470-G472 VanDerWaalsContact O-N 3.16Å; L470-S473 WeakPolarHBondContact O-CB 3.31Å; L470-S473 PolarHBondContact O-N 3.02Å; L470-S473 PolarHBondContact O-OG 2.87Å; L470-S473 VanDerWaalsContact O-OG 3.11Å
471	P	53.7	Low	78	Confident	125 Å²	125	45 Å²	45	81%	0.812	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	123.9	170.5	-26.7	35.2	0	0	0	110.9
472	G	50.4	Low	77.7	Confident	81 Å²	81	45.5 Å²	45.5	84%	0.835	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-6.9	-175.8	0	0	0	0	0	116.4	L470 G474	L470-G472 PolarHBondContact O-N 3.45Å; L470-G472 VanDerWaalsContact O-N 3.16Å; G472-G474 VanDerWaalsContact C-N 3.3Å
473	S	55.9	Low	77.7	Confident	57 Å²	57	45 Å²	45	40%	0.399	27%	0.271	S	S	.	.	S	Bend	trans	-75.3	-19.2	172.5	75.1	0	0	0	0	113.5	D468 L470 V475	D468-S473 WeakPolarHBondContact O-CB 3.45Å; D468-S473 PolarHBondContact O-OG 2.96Å; L470-S473 WeakPolarHBondContact O-CB 3.31Å; L470-S473 PolarHBondContact O-N 3.02Å; L470-S473 PolarHBondContact O-OG 2.87Å; L470-S473 VanDerWaalsContact O-OG 3.11Å; S473-V475 PolarHBondContact O-N 3.04Å
474	G	56.9	Low	77.6	Confident	63 Å²	63	45.8 Å²	45.8	65%	0.649	28%	0.275	S	S	*	.			trans	78.5	-9.8	176.7	0	0	0	0	0	115.5	G472	G472-G474 VanDerWaalsContact C-N 3.3Å
475	V	67	Low	77.8	Confident	11 Å²	11	43.8 Å²	43.8	7%	0.067	27%	0.265	C	S	.	.			trans	-105.4	93.8	-176	-163	0	0	0	0	111.5	P467 H469 S473 W478 W715	P467-V475 HydrophobicContact CB-CB 4.11Å; P467-V475 HydrophobicContact CB-CG1 4.02Å; P467-V475 HydrophobicContact CG-CB 4.19Å; P467-V475 HydrophobicContact CG-CG1 3.68Å; H469-V475 PolarHBondContact ND1-O 2.6Å; S473-V475 PolarHBondContact O-N 3.04Å; V475-W478 HydrophobicContact CG1-CB 4.21Å; V475-W715 HydrophobicContact CB-CD2 4.46Å; V475-W715 HydrophobicContact CB-CE3 4.35Å; V475-W715 HydrophobicContact CG1-CD2 3.69Å; V475-W715 HydrophobicContact CG1-CE3 3.63Å; V475-W715 HydrophobicContact CG1-CG 4.27Å; V475-W715 HydrophobicContact CG1-CH2 4.37Å; V475-W715 HydrophobicContact CG1-CZ2 4.4Å; V475-W715 HydrophobicContact CG1-CZ3 3.99Å; V475-W715 HydrophobicContact CG2-CB 3.55Å; V475-W715 HydrophobicContact CG2-CD2 3.86Å; V475-W715 HydrophobicContact CG2-CE3 3.95Å; V475-W715 HydrophobicContact CG2-CG 3.69Å
476	F	70.5	Confident	77.6	Confident	98 Å²	98	41.6 Å²	41.6	43%	0.43	26%	0.257	S	S	.	.	S	Bend	trans	-116.6	-21.8	176.8	-70.2	-81.2	0	0	0	114.4	H469	H469-F476 HydrophobicContact CB-CD1 3.97Å; H469-F476 HydrophobicContact CB-CE1 3.84Å; H469-F476 WeakPolarHBondContact O-CE1 3.34Å
477	L	79.4	Confident	77.6	Confident	56 Å²	56	40.1 Å²	40.1	29%	0.293	25%	0.25	S	C	.	.	S	Bend	trans	-109.9	-15.4	-169.6	-55	175.7	0	0	0	114.1	R880 P1033 L1036	L477-R880 PolarHBondContact O-NH1 3.44Å; L477-R880 PolarHBondContact O-NH2 2.75Å; L477-P1033 HydrophobicContact CD1-CG 3.68Å; L477-P1033 HydrophobicContact CD2-CG 4.41Å; L477-L1036 HydrophobicContact CB-CD1 4.36Å; L477-L1036 HydrophobicContact CD2-CD1 4.03Å
478	W	88.8	Confident	77.3	Confident	36 Å²	36	41.1 Å²	41.1	14%	0.136	26%	0.255	C	S	.	.			trans	-109.7	147.5	-167.9	-44.4	134.6	0	0	0	112.5	V475 W715 R886 D887 S1035	V475-W478 HydrophobicContact CG1-CB 4.21Å; W478-W715 HydrophobicContact CB-CH2 4.27Å; W478-W715 HydrophobicContact CB-CZ2 3.47Å; W478-W715 VanDerWaalsContact CB-CZ2 3.47Å; W478-W715 AromaticContact CD1-NE1 3.71Å; W478-R886 HydrophobicContact CD2-CB 3.83Å; W478-R886 HydrophobicContact CD2-CG 4.09Å; W478-R886 HydrophobicContact CE3-CB 3.7Å; W478-R886 HydrophobicContact CE3-CG 4Å; W478-R886 HydrophobicContact CG-CB 4.43Å; W478-R886 HydrophobicContact CH2-CB 4.4Å; W478-R886 HydrophobicContact CH2-CG 3.76Å; W478-R886 HydrophobicContact CZ2-CB 4.46Å; W478-R886 HydrophobicContact CZ2-CG 3.79Å; W478-R886 HydrophobicContact CZ3-CB 4.01Å; W478-R886 HydrophobicContact CZ3-CG 3.85Å; W478-D887 WeakPolarHBondContact CA-OD1 3.13Å; W478-D887 WeakPolarHBondContact CB-OD1 3.37Å; W478-S1035 VanDerWaalsContact CH2-O 3.23Å; W478-S1035 WeakPolarHBondContact CH2-O 3.43Å; W478-S1035 VanDerWaalsContact CZ3-O 3.25Å; W478-S1035 WeakPolarHBondContact CZ3-O 3.48Å
479	A	89.9	Confident	77	Confident	3 Å²	3	37.2 Å²	37.2	3%	0.025	23%	0.234	C	C	.	.			trans	-121	159.3	-174.8	0	0	0	0	0	113.3	Y436 D887 S888	Y436-A479 HydrophobicContact CD1-CB 4.07Å; Y436-A479 HydrophobicContact CD2-CB 3.73Å; Y436-A479 HydrophobicContact CE1-CB 3.9Å; Y436-A479 HydrophobicContact CE2-CB 3.57Å; Y436-A479 HydrophobicContact CG-CB 3.99Å; A479-D887 PolarHBondContact N-OD1 2.95Å; A479-D887 WeakPolarHBondContact O-CA 3.36Å; A479-D887 WeakPolarHBondContact O-CB 3.28Å; A479-S888 PolarHBondContact O-N 2.82Å
480	H	90	Very high	76.7	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.019	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-80.4	109.6	157.3	-78.7	-86.9	0	0	0	107.2	H466 E482 W715 S716 S888	H466-H480 AromaticContact CE1-NE2 3.85Å; H466-H480 AromaticContact CG-NE2 3.74Å; H466-H480 AromaticContact ND1-CD2 3.64Å; H466-H480 AromaticContact ND1-CE1 3.98Å; H466-H480 AromaticContact ND1-NE2 2.86Å; H466-H480 PolarHBondContact ND1-NE2 3.43Å; H466-H480 PolarHBondContact O-CD2 3.31Å; H480-E482 WeakPolarHBondContact CA-OE2 3.31Å; H480-E482 IonicContact CE1-OE1 3.55Å; H480-E482 IonicContact CG-OE1 3.63Å; H480-E482 IonicContact ND1-OE1 3.99Å; H480-E482 PolarHBondContact ND1-OE1 3.18Å; H480-E482 IonicContact ND1-OE2 3.29Å; H480-W715 AromaticContact CD2-CH2 3.99Å; H480-W715 AromaticContact CD2-CZ3 3.87Å; H480-W715 AromaticContact NE2-CZ3 3.62Å; H480-S716 PolarHBondContact CE1-O 2.86Å; H480-S888 WeakPolarHBondContact CA-OG 3.14Å; H480-S888 PolarHBondContact ND1-OG 3.22Å
481	H	94.1	Very high	77.5	Confident	17 Å²	17	32.6 Å²	32.6	8%	0.079	21%	0.211	C	C	.	.			trans	-112.2	-5.7	-173.5	-169.1	-109	0	0	0	112.6	W397 K483 S874 D887 S888 E889	W397-H481 AromaticContact CD1-CD2 3.78Å; W397-H481 AromaticContact CG-CD2 3.89Å; H481-K483 PolarHBondContact CD2-NZ 2.61Å; H481-K483 PolarHBondContact NE2-NZ 2.79Å; H481-K483 WeakPolarHBondContact O-CD 3.19Å; H481-K483 WeakPolarHBondContact O-CE 3.46Å; H481-K483 PolarHBondContact O-N 3.44Å; H481-K483 PolarHBondContact O-NZ 2.53Å; H481-S874 PolarHBondContact CE1-O 3.02Å; H481-S874 PolarHBondContact ND1-O 3.06Å; H481-S874 WeakPolarHBondContact O-CB 3.25Å; H481-D887 HydrophobicContact CB-CB 4.35Å; H481-S888 WeakPolarHBondContact CA-O 3.25Å; H481-S888 WeakPolarHBondContact CB-O 3.24Å; H481-S888 PolarHBondContact N-O 3.47Å; H481-E889 IonicContact CE1-OE1 3.24Å; H481-E889 IonicContact CE1-OE2 3.63Å; H481-E889 IonicContact CG-OE1 3.21Å; H481-E889 IonicContact CG-OE2 3.67Å; H481-E889 VanDerWaalsContact ND1-CD 3.29Å; H481-E889 IonicContact ND1-OE1 2.67Å; H481-E889 PolarHBondContact ND1-OE1 3.4Å; H481-E889 IonicContact ND1-OE2 2.84Å; H481-E889 PolarHBondContact ND1-OE2 3.05Å
482	E	88.1	Confident	78.9	Confident	12 Å²	12	26.8 Å²	26.8	6%	0.056	17%	0.173	C	C	.	.			trans	-61.1	124.7	172.7	66.1	-83.9	-159.9	0	0	113.5	T395 H480 I484 S888 V890	T395-E482 CarbonylContact C-O 3.56Å; T395-E482 HydrophobicContact CG2-CG 4.48Å; T395-E482 WeakPolarHBondContact OG1-CG 3.25Å; T395-E482 PolarHBondContact OG1-O 2.53Å; H480-E482 WeakPolarHBondContact CA-OE2 3.31Å; H480-E482 IonicContact CE1-OE1 3.55Å; H480-E482 IonicContact CG-OE1 3.63Å; H480-E482 IonicContact ND1-OE1 3.99Å; H480-E482 PolarHBondContact ND1-OE1 3.18Å; H480-E482 IonicContact ND1-OE2 3.29Å; E482-I484 HydrophobicContact CB-CD1 4.19Å; E482-I484 HydrophobicContact CB-CG1 4.32Å; E482-I484 HydrophobicContact CG-CD1 4.21Å; E482-S888 PolarHBondContact N-O 3.46Å; E482-S888 PolarHBondContact OE1-OG 2.96Å; E482-S888 WeakPolarHBondContact OE2-CB 3.14Å; E482-S888 VanDerWaalsContact OE2-O 3.05Å; E482-S888 PolarHBondContact OE2-OG 2.91Å; E482-V890 HydrophobicContact CB-CB 4.22Å; E482-V890 HydrophobicContact CB-CG1 3.78Å
483	K	92.5	Very high	80.8	Confident	7 Å²	7	23 Å²	23	3%	0.03	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.8	170.4	-53.1	97.2	174.5	58.3	0	109.2	T395 H481 G495 I497 D498	T395-K483 WeakPolarHBondContact O-CA 3.48Å; H481-K483 PolarHBondContact CD2-NZ 2.61Å; H481-K483 PolarHBondContact NE2-NZ 2.79Å; H481-K483 WeakPolarHBondContact O-CD 3.19Å; H481-K483 WeakPolarHBondContact O-CE 3.46Å; H481-K483 PolarHBondContact O-N 3.44Å; H481-K483 PolarHBondContact O-NZ 2.53Å; K483-G495 WeakPolarHBondContact CD-O 3.43Å; K483-I497 WeakPolarHBondContact CB-O 3.13Å; K483-D498 VanDerWaalsContact CE-CG 3.49Å; K483-D498 WeakPolarHBondContact CE-OD1 3.32Å; K483-D498 WeakPolarHBondContact CE-OD2 3.43Å; K483-D498 HydrophobicContact CG-CB 4.24Å; K483-D498 WeakPolarHBondContact CG-OD1 3.3Å; K483-D498 VanDerWaalsContact NZ-CG 3.25Å; K483-D498 IonicContact NZ-OD1 2.68Å; K483-D498 PolarHBondContact NZ-OD1 3.09Å; K483-D498 IonicContact NZ-OD2 2.93Å; K483-D498 PolarHBondContact NZ-OD2 2.99Å
484	I	89.6	Confident	82.3	Confident	22 Å²	22	20.5 Å²	20.5	11%	0.113	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.8	-174.7	-51.5	175.5	0	0	0	109.3	I394 T395 E482 V486 F493 V494 V890	I394-I484 CarbonylContact C-O 3.51Å; I394-I484 WeakPolarHBondContact CA-O 3.46Å; T395-I484 HydrophobicContact CG2-CB 4.42Å; T395-I484 PolarHBondContact N-O 3.32Å; T395-I484 PolarHBondContact O-N 3.15Å; T395-I484 VanDerWaalsContact OG1-CB 3.31Å; T395-I484 WeakPolarHBondContact OG1-CB 3.44Å; T395-I484 WeakPolarHBondContact OG1-CG1 3.35Å; T395-I484 PolarHBondContact OG1-N 2.84Å; T395-I484 VanDerWaalsContact OG1-N 3.17Å; E482-I484 HydrophobicContact CB-CD1 4.19Å; E482-I484 HydrophobicContact CB-CG1 4.32Å; E482-I484 HydrophobicContact CG-CD1 4.21Å; I484-V486 HydrophobicContact CG2-CG2 3.62Å; I484-F493 VanDerWaalsContact CA-O 3.3Å; I484-F493 WeakPolarHBondContact CA-O 3.26Å; I484-V494 HydrophobicContact CG2-CG2 4.49Å; I484-V890 HydrophobicContact CD1-CB 4.24Å; I484-V890 HydrophobicContact CD1-CG1 4.01Å; I484-V890 HydrophobicContact CD1-CG2 4.27Å; I484-V890 HydrophobicContact CG1-CG1 3.86Å
485	V	91.7	Very high	83.7	Confident	5 Å²	5	17.5 Å²	17.5	3%	0.03	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.8	160.2	-173.1	0	0	0	0	109.6	L381 I392 F393 I394 I487 A492 F493 L499	L381-V485 HydrophobicContact CD1-CB 3.83Å; L381-V485 HydrophobicContact CD1-CG1 3.77Å; L381-V485 HydrophobicContact CD1-CG2 4.13Å; L381-V485 HydrophobicContact CD2-CG2 4.17Å; I392-V485 HydrophobicContact CG2-CG1 4.22Å; F393-V485 CarbonylContact O-C 3.48Å; F393-V485 VanDerWaalsContact O-CA 3.26Å; F393-V485 WeakPolarHBondContact O-CA 3.23Å; I394-V485 HydrophobicContact CG1-CG1 4.17Å; I394-V485 HydrophobicContact CG1-CG2 4.35Å; I394-V485 HydrophobicContact CG2-CG2 4.36Å; V485-I487 HydrophobicContact CG1-CD1 4.49Å; V485-I487 HydrophobicContact CG1-CG1 4.26Å; V485-A492 CarbonylContact O-C 3.58Å; V485-A492 WeakPolarHBondContact O-CA 3.46Å; V485-F493 HydrophobicContact CB-CB 4.42Å; V485-F493 PolarHBondContact N-O 2.81Å; V485-F493 VanDerWaalsContact N-O 3.07Å; V485-F493 PolarHBondContact O-N 2.98Å; V485-L499 HydrophobicContact CG2-CD1 4Å
486	V	85.4	Confident	84.7	Confident	3 Å²	3	17 Å²	17	2%	0.018	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.9	176.3	-169.7	0	0	0	0	109.4	I392 F393 I484 I491 A492 I670	I392-V486 CarbonylContact C-O 3.58Å; I392-V486 WeakPolarHBondContact CA-O 3.35Å; F393-V486 HydrophobicContact CB-CB 4.12Å; F393-V486 HydrophobicContact CD2-CB 4.12Å; F393-V486 HydrophobicContact CD2-CG1 4.48Å; F393-V486 PolarHBondContact N-O 2.96Å; F393-V486 PolarHBondContact O-N 2.99Å; I484-V486 HydrophobicContact CG2-CG2 3.62Å; V486-I491 CarbonylContact C-O 3.57Å; V486-I491 WeakPolarHBondContact CA-O 3.42Å; V486-I491 WeakPolarHBondContact CG1-O 3.14Å; V486-A492 HydrophobicContact CG1-CB 4.34Å; V486-A492 HydrophobicContact CG2-CB 4.03Å; V486-I670 HydrophobicContact CG1-CG2 4.21Å
487	I	84	Confident	85.7	Confident	5 Å²	5	12.5 Å²	12.5	3%	0.026	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.4	-176.3	-62.5	161.1	0	0	0	108.5	L381 M384 I385 A388 V485 Q489 N490 I491 F493	L381-I487 HydrophobicContact CD1-CD1 4.3Å; M384-I487 HydrophobicContact CB-CD1 3.45Å; M384-I487 VanDerWaalsContact CB-CD1 3.45Å; I385-I487 HydrophobicContact CG1-CD1 3.8Å; I385-I487 HydrophobicContact CG1-CG1 4.41Å; A388-I487 HydrophobicContact CB-CG2 3.67Å; V485-I487 HydrophobicContact CG1-CD1 4.49Å; V485-I487 HydrophobicContact CG1-CG1 4.26Å; I487-Q489 PolarHBondContact O-N 3.07Å; I487-N490 PolarHBondContact O-N 2.89Å; I487-I491 PolarHBondContact N-O 3.48Å; I487-I491 PolarHBondContact O-N 2.88Å; I487-F493 HydrophobicContact CD1-CE2 4.14Å
488	D	80.2	Confident	86.4	Confident	23 Å²	23	9.9 Å²	9.9	12%	0.123	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	25.1	-178	-56.5	-33.2	0	0	0	114.3	A388 E389 E390 E391 N490	A388-D488 WeakPolarHBondContact CA-OD2 3.42Å; E389-D488 PolarHBondContact N-OD1 3.09Å; E389-D488 PolarHBondContact N-OD2 2.94Å; E390-D488 WeakPolarHBondContact CA-OD1 3.11Å; E390-D488 PolarHBondContact N-OD1 2.99Å; E391-D488 PolarHBondContact N-OD1 3Å; E391-D488 PolarHBondContact O-N 2.93Å; D488-N490 PolarHBondContact O-N 3.11Å; D488-N490 PolarHBondContact O-ND2 2.88Å
489	Q	70.7	Confident	86.7	Confident	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	19.7	-172.1	-73	-175.7	51.1	0	0	115.3	E391 F393 I487 I670 R671 Q685	E391-Q489 VanDerWaalsContact OE1-CD 3.27Å; E391-Q489 VanDerWaalsContact OE1-CG 3.28Å; E391-Q489 WeakPolarHBondContact OE1-CG 3.21Å; E391-Q489 PolarHBondContact OE1-NE2 3.43Å; F393-Q489 HydrophobicContact CD2-CG 4.43Å; F393-Q489 HydrophobicContact CE2-CG 3.82Å; I487-Q489 PolarHBondContact O-N 3.07Å; Q489-I670 CarbonylContact O-C 3.29Å; Q489-R671 HydrophobicContact CB-CG 4.15Å; Q489-R671 WeakPolarHBondContact O-CG 3.18Å; Q489-R671 PolarHBondContact O-N 3.36Å; Q489-R671 PolarHBondContact OE1-O 2.85Å; Q489-Q685 PolarHBondContact NE2-O 2.77Å; Q489-Q685 PolarHBondContact OE1-O 2.8Å
490	N	68.2	Low	86.9	Confident	26 Å²	26	8.1 Å²	8.1	14%	0.139	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-19	-178.1	-56.4	-51.2	0	0	0	113.4	I487 D488 I670 R671	I487-N490 PolarHBondContact O-N 2.89Å; D488-N490 PolarHBondContact O-N 3.11Å; D488-N490 PolarHBondContact O-ND2 2.88Å; N490-I670 WeakPolarHBondContact O-CD1 3.44Å; N490-R671 PolarHBondContact OD1-NH2 2.91Å
491	I	79.9	Confident	86.9	Confident	30 Å²	30	8.1 Å²	8.1	15%	0.154	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.6	177.5	-56.4	176.1	0	0	0	107.9	M384 V486 I487 F493 F665	M384-I491 HydrophobicContact CG-CD1 4.34Å; M384-I491 HydrophobicContact SD-CD1 3.58Å; M384-I491 VanDerWaalsContact SD-CD1 3.58Å; V486-I491 CarbonylContact C-O 3.57Å; V486-I491 WeakPolarHBondContact CA-O 3.42Å; V486-I491 WeakPolarHBondContact CG1-O 3.14Å; I487-I491 PolarHBondContact N-O 3.48Å; I487-I491 PolarHBondContact O-N 2.88Å; I491-F493 HydrophobicContact CG2-CD2 4.44Å; I491-F493 HydrophobicContact CG2-CE2 3.92Å; I491-F665 HydrophobicContact CD1-CD1 4.08Å; I491-F665 HydrophobicContact CD1-CE1 4.01Å; I491-F665 HydrophobicContact CG1-CD1 4.05Å; I491-F665 HydrophobicContact CG1-CE1 4.37Å; I491-F665 HydrophobicContact CG2-CD1 3.99Å; I491-F665 HydrophobicContact CG2-CE1 3.87Å
492	A	83.9	Confident	86.6	Confident	2 Å²	2	7.3 Å²	7.3	2%	0.017	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.6	178.3	0	0	0	0	0	112	V485 V486 L664 I670	V485-A492 CarbonylContact O-C 3.58Å; V485-A492 WeakPolarHBondContact O-CA 3.46Å; V486-A492 HydrophobicContact CG1-CB 4.34Å; V486-A492 HydrophobicContact CG2-CB 4.03Å; A492-L664 HydrophobicContact CB-CB 4.17Å; A492-L664 HydrophobicContact CB-CD1 4.07Å; A492-L664 PolarHBondContact N-O 3.25Å; A492-L664 VanDerWaalsContact N-O 3.08Å; A492-L664 WeakPolarHBondContact O-CB 3.47Å; A492-L664 PolarHBondContact O-N 3.37Å; A492-I670 HydrophobicContact CB-CG2 3.78Å
493	F	89.4	Confident	86.7	Confident	2 Å²	2	7.4 Å²	7.4	1%	0.009	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.8	171	-64.8	-100.1	0	0	0	109.2	F371 F377 N380 L381 M384 I484 V485 I487 I491 F662 A663	F371-F493 AromaticContact CE2-CD1 3.83Å; F371-F493 HydrophobicContact CE2-CD1 3.83Å; F371-F493 AromaticContact CE2-CE1 3.7Å; F371-F493 HydrophobicContact CE2-CE1 3.7Å; F371-F493 HydrophobicContact CZ-CD1 4.46Å; F371-F493 AromaticContact CZ-CE1 3.87Å; F371-F493 HydrophobicContact CZ-CE1 3.87Å; F377-F493 AromaticContact CD2-CD1 3.75Å; F377-F493 HydrophobicContact CD2-CD1 3.75Å; F377-F493 HydrophobicContact CD2-CE1 4.31Å; F377-F493 HydrophobicContact CE2-CB 3.88Å; F377-F493 AromaticContact CE2-CD1 3.56Å; F377-F493 HydrophobicContact CE2-CD1 3.56Å; F377-F493 HydrophobicContact CE2-CE1 4.38Å; F377-F493 AromaticContact CE2-CG 3.98Å; F377-F493 HydrophobicContact CE2-CG 3.98Å; N380-F493 HydrophobicContact CB-CE1 4.5Å; L381-F493 HydrophobicContact CB-CE1 4.25Å; L381-F493 HydrophobicContact CB-CZ 4.24Å; L381-F493 HydrophobicContact CD1-CD2 3.58Å; L381-F493 HydrophobicContact CD1-CE2 3.65Å; L381-F493 HydrophobicContact CD1-CG 4.04Å; L381-F493 HydrophobicContact CD1-CZ 4.14Å; M384-F493 HydrophobicContact CB-CE2 4.1Å; M384-F493 HydrophobicContact CB-CZ 4.28Å; M384-F493 HydrophobicContact CG-CE2 4.06Å; M384-F493 HydrophobicContact CG-CZ 3.84Å; I484-F493 VanDerWaalsContact CA-O 3.3Å; I484-F493 WeakPolarHBondContact CA-O 3.26Å; V485-F493 HydrophobicContact CB-CB 4.42Å; V485-F493 PolarHBondContact N-O 2.81Å; V485-F493 VanDerWaalsContact N-O 3.07Å; V485-F493 PolarHBondContact O-N 2.98Å; I487-F493 HydrophobicContact CD1-CE2 4.14Å; I491-F493 HydrophobicContact CG2-CD2 4.44Å; I491-F493 HydrophobicContact CG2-CE2 3.92Å; F493-F662 CarbonylContact C-O 3.55Å; F493-F662 WeakPolarHBondContact CA-O 3.48Å; F493-A663 HydrophobicContact CD1-CB 3.94Å; F493-A663 HydrophobicContact CE1-CB 3.87Å; F493-A663 HydrophobicContact CZ-CB 4.4Å
494	V	87.8	Confident	86.7	Confident	4 Å²	4	7.2 Å²	7.2	2%	0.024	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	131.6	-176.3	176.4	0	0	0	0	109	I484 C661 F662 L664 V890	I484-V494 HydrophobicContact CG2-CG2 4.49Å; V494-C661 PolarHBondContact O-SG 3.04Å; V494-F662 PolarHBondContact N-O 2.87Å; V494-F662 PolarHBondContact O-N 3.23Å; V494-L664 HydrophobicContact CG2-CD1 4.12Å; V494-V890 HydrophobicContact CG1-CB 4.44Å; V494-V890 HydrophobicContact CG1-CG1 3.77Å; V494-V890 HydrophobicContact CG1-CG2 3.91Å
495	G	87.6	Confident	86.8	Confident	1 Å²	1	6.1 Å²	6.1	1%	0.01	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-155.6	178.1	0	0	0	0	0	115.4	K483 G873	K483-G495 WeakPolarHBondContact CD-O 3.43Å; G495-G873 CarbonylContact C-O 3.46Å; G495-G873 CarbonylContact O-C 3.54Å
496	G	88.2	Confident	86.8	Confident	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-94.2	3.3	179.6	0	0	0	0	0	115	Q659 R660 H859 G873	G496-Q659 PolarHBondContact O-OE1 2.89Å; G496-R660 PolarHBondContact N-O 2.63Å; G496-H859 PolarHBondContact O-CE1 2.91Å; G496-H859 PolarHBondContact O-ND1 3.42Å; G496-G873 PolarHBondContact N-O 2.65Å
497	I	91.2	Very high	87	Confident	4 Å²	4	7.6 Å²	7.6	2%	0.021	4%	0.041	C	C	.	.			trans	-103	110.9	-171.3	-44.8	-170	0	0	0	111	F377 M378 K483 R503 Q659 C661	F377-I497 HydrophobicContact CB-CD1 4.08Å; F377-I497 HydrophobicContact CD1-CB 3.88Å; F377-I497 HydrophobicContact CD1-CD1 3.68Å; F377-I497 HydrophobicContact CD1-CG1 4.28Å; F377-I497 HydrophobicContact CD1-CG2 3.7Å; F377-I497 HydrophobicContact CE1-CB 3.72Å; F377-I497 HydrophobicContact CE1-CD1 4.42Å; F377-I497 HydrophobicContact CE1-CG2 3.6Å; F377-I497 HydrophobicContact CG-CD1 4.03Å; M378-I497 HydrophobicContact CE-CG2 4.06Å; K483-I497 WeakPolarHBondContact CB-O 3.13Å; I497-R503 HydrophobicContact CG2-CB 3.94Å; I497-R503 HydrophobicContact CG2-CG 4.11Å; I497-Q659 HydrophobicContact CD1-CB 3.93Å; I497-Q659 HydrophobicContact CG1-CB 3.69Å; I497-C661 HydrophobicContact CD1-CB 3.79Å; I497-C661 HydrophobicContact CG1-CB 4Å
498	D	92.9	Very high	87.2	Confident	1 Å²	1	12 Å²	12	1%	0.005	6%	0.062	C	C	.	.			trans	-79.4	150.8	169.4	-62.7	-83.7	0	0	0	111	D396 W397 W398 K483 C500 R503	D396-D498 WeakPolarHBondContact OD1-CA 3.42Å; W397-D498 VanDerWaalsContact CB-OD1 3.31Å; W397-D498 WeakPolarHBondContact CB-OD1 3.35Å; W397-D498 PolarHBondContact N-OD1 2.85Å; W398-D498 WeakPolarHBondContact O-CB 3.49Å; K483-D498 VanDerWaalsContact CE-CG 3.49Å; K483-D498 WeakPolarHBondContact CE-OD1 3.32Å; K483-D498 WeakPolarHBondContact CE-OD2 3.43Å; K483-D498 HydrophobicContact CG-CB 4.24Å; K483-D498 WeakPolarHBondContact CG-OD1 3.3Å; K483-D498 VanDerWaalsContact NZ-CG 3.25Å; K483-D498 IonicContact NZ-OD1 2.68Å; K483-D498 PolarHBondContact NZ-OD1 3.09Å; K483-D498 IonicContact NZ-OD2 2.93Å; K483-D498 PolarHBondContact NZ-OD2 2.99Å; D498-C500 WeakPolarHBondContact CB-SG 3.12Å; D498-C500 PolarHBondContact O-N 3.2Å; D498-R503 WeakPolarHBondContact O-CG 3.25Å; D498-R503 IonicContact OD2-NH2 3.79Å
499	L	95.7	Very high	87.6	Confident	2 Å²	2	11 Å²	11	1%	0.01	6%	0.056	C	C	.	.	S	Bend	trans	-79.3	59.3	173.6	-59.9	-175.7	0	0	0	112.5	F377 L381 I394 D396 L399 S400 I403 L405 L417 V485	F377-L499 HydrophobicContact CE1-CD2 4.15Å; F377-L499 HydrophobicContact CZ-CD2 4.27Å; L381-L499 HydrophobicContact CD2-CD1 4.24Å; L381-L499 HydrophobicContact CD2-CD2 3.59Å; I394-L499 HydrophobicContact CD1-CD1 4.44Å; I394-L499 HydrophobicContact CG2-CD1 4.21Å; D396-L499 PolarHBondContact OD1-N 2.61Å; D396-L499 WeakPolarHBondContact OD2-CB 3.2Å; L399-L499 CarbonylContact C-O 3.52Å; L399-L499 WeakPolarHBondContact CA-O 3.33Å; L399-L499 HydrophobicContact CG-CB 4.33Å; S400-L499 PolarHBondContact N-O 2.85Å; I403-L499 HydrophobicContact CD1-CB 4.07Å; L405-L499 HydrophobicContact CD2-CD2 4.44Å; L417-L499 HydrophobicContact CD1-CD1 4.33Å; L417-L499 HydrophobicContact CD2-CB 4.07Å; L417-L499 HydrophobicContact CD2-CD1 4.11Å; V485-L499 HydrophobicContact CG2-CD1 4Å
500	C	93.1	Very high	88.4	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-138.9	178.2	-178.5	60.4	0	0	0	0	114.7	W398 S400 D498 R503	W398-C500 HydrophobicContact CB-CB 4.29Å; W398-C500 HydrophobicContact CD2-CB 3.5Å; W398-C500 HydrophobicContact CE3-CB 3.56Å; W398-C500 HydrophobicContact CG-CB 3.85Å; W398-C500 HydrophobicContact CH2-CB 4.46Å; W398-C500 HydrophobicContact CZ2-CB 4.44Å; W398-C500 HydrophobicContact CZ3-CB 4.05Å; W398-C500 VanDerWaalsContact O-CB 3.26Å; W398-C500 WeakPolarHBondContact O-CB 3.4Å; W398-C500 PolarHBondContact O-SG 2.85Å; S400-C500 WeakPolarHBondContact OG-CB 3.34Å; D498-C500 WeakPolarHBondContact CB-SG 3.12Å; D498-C500 PolarHBondContact O-N 3.2Å; C500-R503 PolarHBondContact SG-NE 3.17Å; C500-R503 VanDerWaalsContact SG-NE 3.41Å; C500-R503 PolarHBondContact SG-NH1 3.02Å; C500-R503 VanDerWaalsContact SG-NH1 3.42Å
501	Y	90.6	Very high	89.1	Confident	4 Å²	4	12.9 Å²	12.9	2%	0.016	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	142.2	-177.5	-63.5	-47.3	0	0	0	113.6	W398 S400 E402 I403 R503 K619 D620 F629 I632 P635	W398-Y501 HydrophobicContact CH2-CD2 4.02Å; W398-Y501 HydrophobicContact CH2-CG 4.45Å; W398-Y501 AromaticContact CZ2-CD2 3.93Å; W398-Y501 HydrophobicContact CZ2-CD2 3.93Å; S400-Y501 WeakPolarHBondContact OG-CD2 3.46Å; S400-Y501 PolarHBondContact OG-N 3.34Å; E402-Y501 PolarHBondContact OE2-OH 2.96Å; I403-Y501 HydrophobicContact CG2-CD1 3.58Å; I403-Y501 HydrophobicContact CG2-CE1 3.63Å; I403-Y501 HydrophobicContact CG2-CG 4.48Å; Y501-R503 VanDerWaalsContact C-N 3.29Å; Y501-R503 WeakPolarHBondContact O-CD 3.33Å; Y501-R503 PolarHBondContact O-N 2.88Å; Y501-R503 PolarHBondContact O-NH1 2.82Å; Y501-K619 HydrophobicContact CD2-CB 3.91Å; Y501-K619 HydrophobicContact CE2-CB 3.84Å; Y501-K619 HydrophobicContact CG-CB 4.3Å; Y501-D620 VanDerWaalsContact CA-OD1 3.29Å; Y501-D620 WeakPolarHBondContact CA-OD1 3.47Å; Y501-D620 HydrophobicContact CD1-CB 3.62Å; Y501-D620 HydrophobicContact CE1-CB 4.26Å; Y501-D620 HydrophobicContact CG-CB 4.44Å; Y501-F629 VanDerWaalsContact CB-CE1 3.48Å; Y501-F629 HydrophobicContact CD2-CD1 4.37Å; Y501-F629 HydrophobicContact CD2-CE1 4.12Å; Y501-F629 HydrophobicContact CG-CE1 4.19Å; Y501-I632 HydrophobicContact CE2-CG2 4.34Å; Y501-P635 WeakPolarHBondContact OH-CB 3.45Å
502	G	87.5	Confident	89.2	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	3.7	177.5	0	0	0	0	0	115.5	D620 Y654 C657	G502-D620 PolarHBondContact N-OD1 2.89Å; G502-Y654 WeakPolarHBondContact CA-OH 3.45Å; G502-C657 WeakPolarHBondContact O-CB 3.32Å
503	R	91.4	Very high	89	Confident	14 Å²	14	13.6 Å²	13.6	5%	0.053	7%	0.067	C	C	.	.			trans	-92.1	-21.4	-179.8	-88.2	59.3	172.3	-167.4	-1.8	114.4	G374 M378 I497 D498 C500 Y501	G374-R503 WeakPolarHBondContact CA-O 3.21Å; M378-R503 HydrophobicContact CE-CB 3.75Å; I497-R503 HydrophobicContact CG2-CB 3.94Å; I497-R503 HydrophobicContact CG2-CG 4.11Å; D498-R503 WeakPolarHBondContact O-CG 3.25Å; D498-R503 IonicContact OD2-NH2 3.79Å; C500-R503 PolarHBondContact SG-NE 3.17Å; C500-R503 VanDerWaalsContact SG-NE 3.41Å; C500-R503 PolarHBondContact SG-NH1 3.02Å; C500-R503 VanDerWaalsContact SG-NH1 3.42Å; Y501-R503 VanDerWaalsContact C-N 3.29Å; Y501-R503 WeakPolarHBondContact O-CD 3.33Å; Y501-R503 PolarHBondContact O-N 2.88Å; Y501-R503 PolarHBondContact O-NH1 2.82Å
504	W	92.9	Very high	88.1	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.008	8%	0.082	C	C	.	.			trans	-77.8	129.5	173.4	-171.5	99.6	0	0	0	109.3	K375 M378 R407 D506 Y615 W616	K375-W504 HydrophobicContact CB-CH2 4.47Å; K375-W504 HydrophobicContact CB-CZ2 3.75Å; K375-W504 HydrophobicContact CD-CZ2 4.24Å; K375-W504 HydrophobicContact CG-CZ2 3.7Å; M378-W504 HydrophobicContact CE-CB 4.32Å; M378-W504 HydrophobicContact SD-CB 3.92Å; M378-W504 HydrophobicContact SD-CG 4.27Å; R407-W504 HydrophobicContact CB-CD2 4.5Å; R407-W504 HydrophobicContact CB-CH2 4.3Å; R407-W504 HydrophobicContact CB-CZ2 3.71Å; R407-W504 HydrophobicContact CG-CD2 4.13Å; R407-W504 HydrophobicContact CG-CG 4.36Å; R407-W504 HydrophobicContact CG-CZ2 4.14Å; R407-W504 VanDerWaalsContact NE-CG 3.27Å; W504-D506 HydrophobicContact CH2-CB 4.47Å; W504-Y615 AromaticContact CH2-CD1 3.39Å; W504-Y615 HydrophobicContact CH2-CD1 3.39Å; W504-Y615 AromaticContact CH2-CE1 3.91Å; W504-Y615 HydrophobicContact CH2-CE1 3.91Å; W504-Y615 HydrophobicContact CH2-CG 4.34Å; W504-Y615 HydrophobicContact CZ2-CD1 4.22Å; W504-Y615 AromaticContact CZ3-CD1 3.77Å; W504-Y615 HydrophobicContact CZ3-CD1 3.77Å; W504-Y615 HydrophobicContact CZ3-CG 4.31Å; W504-W616 AromaticContact CE3-CE2 3.83Å; W504-W616 AromaticContact CE3-CZ2 3.89Å; W504-W616 HydrophobicContact CE3-CZ2 3.89Å; W504-W616 AromaticContact CE3-NE1 3.76Å; W504-W616 HydrophobicContact CZ3-CH2 4.24Å; W504-W616 AromaticContact CZ3-CZ2 3.77Å; W504-W616 HydrophobicContact CZ3-CZ2 3.77Å; W504-W616 PolarHBondContact O-NE1 3.02Å
505	D	91.3	Very high	86.9	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.			trans	-161.1	164.8	175.7	-166.1	15.3	0	0	0	109.6	D373 G374 K375 H509 H656	D373-D505 WeakPolarHBondContact CB-O 3.47Å; G374-D505 PolarHBondContact N-O 2.94Å; K375-D505 WeakPolarHBondContact CB-O 3.36Å; K375-D505 PolarHBondContact N-O 3.19Å; D505-H509 IonicContact OD2-CE1 2.79Å; D505-H509 IonicContact OD2-CG 3.49Å; D505-H509 IonicContact OD2-ND1 3.7Å; D505-H509 PolarHBondContact OD2-ND1 3Å; D505-H656 IonicContact OD1-CE1 2.85Å; D505-H656 IonicContact OD1-ND1 3.77Å; D505-H656 PolarHBondContact OD1-ND1 3.07Å; D505-H656 VanDerWaalsContact OD2-CB 3.24Å; D505-H656 WeakPolarHBondContact OD2-CB 3.47Å; D505-H656 IonicContact OD2-CG 2.73Å; D505-H656 IonicContact OD2-ND1 2.71Å; D505-H656 PolarHBondContact OD2-ND1 2.96Å
506	D	90.4	Very high	84.8	Confident	14 Å²	14	23.1 Å²	23.1	8%	0.075	13%	0.129	C	C	.	.			trans	-126.4	166.6	171.9	71.4	37.7	0	0	0	111.3	K375 W504 E508 H509 R510	K375-D506 HydrophobicContact CB-CB 4.19Å; K375-D506 HydrophobicContact CD-CB 3.91Å; W504-D506 HydrophobicContact CH2-CB 4.47Å; D506-E508 PolarHBondContact O-N 2.93Å; D506-E508 WeakPolarHBondContact OD1-CA 3.36Å; D506-E508 VanDerWaalsContact OD1-CB 3.23Å; D506-E508 WeakPolarHBondContact OD1-CB 3.44Å; D506-E508 PolarHBondContact OD1-N 3.23Å; D506-H509 PolarHBondContact O-N 3.03Å; D506-H509 PolarHBondContact O-ND1 2.78Å; D506-R510 IonicContact OD1-NE 3.51Å; D506-R510 IonicContact OD1-NH2 2.96Å; D506-R510 IonicContact OD2-CZ 3.37Å; D506-R510 IonicContact OD2-NE 2.89Å; D506-R510 PolarHBondContact OD2-NE 2.69Å; D506-R510 IonicContact OD2-NH2 2.75Å; D506-R510 PolarHBondContact OD2-NH2 3.48Å
507	S	90	Very high	82.3	Confident	24 Å²	24	28.5 Å²	28.5	17%	0.168	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-2.6	-178.6	59	0	0	0	0	116.3	D373 E925	D373-S507 PolarHBondContact OD2-N 3.11Å; S507-E925 VanDerWaalsContact CB-OE2 3.29Å; S507-E925 WeakPolarHBondContact CB-OE2 3.3Å
508	E	87.6	Confident	79.2	Confident	99 Å²	99	34 Å²	34	46%	0.463	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-18.9	170.6	-59.1	179.8	-140.8	0	0	112.6	D506 R510	D506-E508 PolarHBondContact O-N 2.93Å; D506-E508 WeakPolarHBondContact OD1-CA 3.36Å; D506-E508 VanDerWaalsContact OD1-CB 3.23Å; D506-E508 WeakPolarHBondContact OD1-CB 3.44Å; D506-E508 PolarHBondContact OD1-N 3.23Å; E508-R510 HydrophobicContact CB-CG 4.09Å; E508-R510 VanDerWaalsContact CD-CZ 3.46Å; E508-R510 PolarHBondContact O-N 3.1Å; E508-R510 IonicContact OE1-CZ 3.61Å; E508-R510 IonicContact OE1-NH1 3.6Å; E508-R510 IonicContact OE1-NH2 3.06Å; E508-R510 PolarHBondContact OE1-NH2 3.32Å; E508-R510 IonicContact OE2-CZ 3.51Å; E508-R510 IonicContact OE2-NH1 3.34Å; E508-R510 PolarHBondContact OE2-NH1 2.99Å; E508-R510 IonicContact OE2-NH2 3.02Å; E508-R510 PolarHBondContact OE2-NH2 2.8Å
509	H	89.5	Confident	76.2	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	23%	0.231	C	C	.	.			trans	45	58.7	179.8	-55.1	-56.3	0	0	0	112.2	D373 D505 D506 L511 H656 T843 I856 E925	D373-H509 IonicContact OD1-CE1 3.15Å; D505-H509 IonicContact OD2-CE1 2.79Å; D505-H509 IonicContact OD2-CG 3.49Å; D505-H509 IonicContact OD2-ND1 3.7Å; D505-H509 PolarHBondContact OD2-ND1 3Å; D506-H509 PolarHBondContact O-N 3.03Å; D506-H509 PolarHBondContact O-ND1 2.78Å; H509-L511 PolarHBondContact O-N 2.87Å; H509-H656 HydrophobicContact CB-CB 4.13Å; H509-H656 PolarHBondContact O-CD2 2.79Å; H509-H656 PolarHBondContact O-NE2 2.87Å; H509-T843 HydrophobicContact CB-CG2 4.3Å; H509-I856 HydrophobicContact CB-CD1 3.98Å; H509-I856 HydrophobicContact CB-CG1 3.95Å; H509-I856 VanDerWaalsContact CD2-CD1 3.4Å; H509-I856 WeakPolarHBondContact CD2-CD1 3.26Å; H509-E925 IonicContact NE2-OE1 2.71Å
510	R	86.5	Confident	73	Confident	60 Å²	60	47.2 Å²	47.2	23%	0.226	26%	0.262	C	S	.	.			trans	-68.8	107.3	-170.2	-45.2	170	-168.1	-77	-12.9	112.9	D506 E508 T512 W616 H656	D506-R510 IonicContact OD1-NE 3.51Å; D506-R510 IonicContact OD1-NH2 2.96Å; D506-R510 IonicContact OD2-CZ 3.37Å; D506-R510 IonicContact OD2-NE 2.89Å; D506-R510 PolarHBondContact OD2-NE 2.69Å; D506-R510 IonicContact OD2-NH2 2.75Å; D506-R510 PolarHBondContact OD2-NH2 3.48Å; E508-R510 HydrophobicContact CB-CG 4.09Å; E508-R510 VanDerWaalsContact CD-CZ 3.46Å; E508-R510 PolarHBondContact O-N 3.1Å; E508-R510 IonicContact OE1-CZ 3.61Å; E508-R510 IonicContact OE1-NH1 3.6Å; E508-R510 IonicContact OE1-NH2 3.06Å; E508-R510 PolarHBondContact OE1-NH2 3.32Å; E508-R510 IonicContact OE2-CZ 3.51Å; E508-R510 IonicContact OE2-NH1 3.34Å; E508-R510 PolarHBondContact OE2-NH1 2.99Å; E508-R510 IonicContact OE2-NH2 3.02Å; E508-R510 PolarHBondContact OE2-NH2 2.8Å; R510-T512 PolarHBondContact O-N 3.35Å; R510-W616 HydrophobicContact CB-CH2 3.94Å; R510-W616 HydrophobicContact CB-CZ3 4.18Å; R510-W616 HydrophobicContact CG-CH2 4.26Å; R510-H656 VanDerWaalsContact C-CE1 3.44Å; R510-H656 PolarHBondContact N-CE1 3.34Å; R510-H656 PolarHBondContact N-NE2 3.1Å; R510-H656 PolarHBondContact O-CE1 2.77Å; R510-H656 PolarHBondContact O-NE2 2.83Å
511	L	84.9	Confident	70.1	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.031	29%	0.288	C	S	.	.	S	Bend	trans	-61.8	-12.9	-178.4	-61.5	-172.3	0	0	0	115.4	H509 Y654 H656 T843 V852 E854	H509-L511 PolarHBondContact O-N 2.87Å; L511-Y654 WeakPolarHBondContact O-CB 3.27Å; L511-Y654 PolarHBondContact O-N 2.97Å; L511-H656 PolarHBondContact N-NE2 2.85Å; L511-T843 HydrophobicContact CD1-CG2 4.34Å; L511-T843 HydrophobicContact CD2-CG2 3.63Å; L511-T843 HydrophobicContact CG-CG2 3.97Å; L511-V852 HydrophobicContact CD1-CG2 4.09Å; L511-E854 HydrophobicContact CD1-CB 4.31Å; L511-E854 HydrophobicContact CD2-CB 3.66Å
512	T	81.1	Confident	67.4	Low	39 Å²	39	60.7 Å²	60.7	24%	0.239	33%	0.328	C	S	.	.			trans	-137	147.5	-171.9	61.8	0	0	0	0	112.6	R510 F514 V846 L847	R510-T512 PolarHBondContact O-N 3.35Å; T512-F514 HydrophobicContact CG2-CE2 4.21Å; T512-V846 WeakPolarHBondContact CG2-O 3.44Å; T512-L847 HydrophobicContact CG2-CB 3.88Å; T512-L847 HydrophobicContact CG2-CD1 3.7Å; T512-L847 HydrophobicContact CG2-CG 4.38Å
513	D	80.2	Confident	64.9	Low	8 Å²	8	69.1 Å²	69.1	4%	0.043	37%	0.365	C	S	.	.			trans	-148.3	77.8	-179.8	-179	39.6	0	0	0	111.5	K614 Y615 W616 Y621 R642	D513-K614 WeakPolarHBondContact OD1-CA 3.28Å; D513-Y615 VanDerWaalsContact CG-N 3.32Å; D513-Y615 PolarHBondContact OD1-N 3.43Å; D513-Y615 PolarHBondContact OD2-N 3.21Å; D513-Y615 VanDerWaalsContact OD2-N 3.11Å; D513-W616 HydrophobicContact CB-CE3 3.56Å; D513-W616 HydrophobicContact CB-CZ3 3.96Å; D513-W616 PolarHBondContact OD2-N 3.3Å; D513-Y621 HydrophobicContact CB-CD2 4.23Å; D513-Y621 HydrophobicContact CB-CE2 4.11Å; D513-R642 VanDerWaalsContact O-CD 3.3Å; D513-R642 WeakPolarHBondContact O-CD 3.41Å; D513-R642 PolarHBondContact O-NH1 2.63Å; D513-R642 IonicContact OD2-CZ 3.42Å; D513-R642 IonicContact OD2-NH1 2.65Å; D513-R642 PolarHBondContact OD2-NH1 3.37Å
514	F	69.5	Low	62.2	Low	75 Å²	75	71.8 Å²	71.8	33%	0.329	38%	0.382	S	S	.	.			trans	-85.1	-26.3	177	-68.9	-77.3	0	0	0	112.8	T512 K614 R642 L847 L848	T512-F514 HydrophobicContact CG2-CE2 4.21Å; F514-K614 WeakPolarHBondContact O-CE 3.39Å; F514-R642 HydrophobicContact CE1-CB 4.1Å; F514-R642 VanDerWaalsContact CE1-O 3.23Å; F514-R642 WeakPolarHBondContact CE1-O 3.46Å; F514-R642 VanDerWaalsContact CZ-O 3.31Å; F514-R642 WeakPolarHBondContact CZ-O 3.5Å; F514-L847 HydrophobicContact CE2-CD1 3.83Å; F514-L847 HydrophobicContact CZ-CD1 3.63Å; F514-L848 HydrophobicContact CE1-CD2 3.9Å; F514-L848 HydrophobicContact CE2-CD2 4.4Å; F514-L848 HydrophobicContact CZ-CD2 3.69Å; F514-L848 HydrophobicContact CZ-CG 4.06Å
515	G	63.1	Low	59.5	Low	27 Å²	27	73.7 Å²	73.7	28%	0.278	40%	0.399	S	S	.	.			trans	72	153.1	-171.7	0	0	0	0	0	113.5	V517 G613	G515-V517 PolarHBondContact O-N 3.14Å; G515-G613 WeakPolarHBondContact CA-O 3.39Å
516	S	43.8	Very low	56.8	Low	105 Å²	105	77.3 Å²	77.3	73%	0.734	42%	0.421	S	S	*	.			trans	-90.3	83.5	178.9	-59.2	0	0	0	0	111.2	T518	S516-T518 PolarHBondContact O-N 3.04Å
517	V	34.2	Very low	54.4	Low	112 Å²	112	81.7 Å²	81.7	68%	0.679	44%	0.443	S	S	*	.			trans	-84.9	92.8	170	-174.9	0	0	0	0	109.3	G515	G515-V517 PolarHBondContact O-N 3.14Å
518	T	27.7	Very low	52	Low	120 Å²	120	84.4 Å²	84.4	74%	0.736	46%	0.459	S	S	*	.			trans	-88.2	117.1	164.1	39.5	0	0	0	0	109.7	S516 V520	S516-T518 PolarHBondContact O-N 3.04Å; T518-V520 PolarHBondContact O-N 2.88Å; T518-V520 VanDerWaalsContact O-N 3.08Å
519	F	29.8	Very low	49.6	Very low	174 Å²	174	85.7 Å²	85.7	76%	0.763	47%	0.465	S	S	*	.			trans	-62.1	112.6	171.6	-73.5	-84.2	0	0	0	109.9	T521	F519-T521 PolarHBondContact O-N 3.19Å
520	V	27.2	Very low	47.2	Very low	107 Å²	107	93 Å²	93	65%	0.648	50%	0.497	S	S	*	.			trans	-68.9	95.8	170.9	-177.9	0	0	0	0	108.3	T518 A525	T518-V520 PolarHBondContact O-N 2.88Å; T518-V520 VanDerWaalsContact O-N 3.08Å; V520-A525 HydrophobicContact CG1-CB 4.47Å
521	T	32.4	Very low	45	Very low	90 Å²	90	95.3 Å²	95.3	55%	0.552	51%	0.513	S	S	*	.			trans	-62.1	145.1	171.9	61	0	0	0	0	109.9	F519 K523 T524	F519-T521 PolarHBondContact O-N 3.19Å; T521-K523 PolarHBondContact O-N 3.39Å; T521-T524 PolarHBondContact O-N 2.86Å
522	K	34.1	Very low	42.8	Very low	196 Å²	196	100.3 Å²	100.3	85%	0.852	54%	0.536	S	S	*	.	H	α-helix	trans	-55.2	-12.5	-173.5	-79.4	-176.2	174.2	178.6	0	115.5	T526	K522-T526 PolarHBondContact O-OG1 3.33Å
523	K	34.7	Very low	40.8	Very low	178 Å²	178	106.5 Å²	106.5	77%	0.774	56%	0.56	S	S	*	*	H	α-helix	trans	-78.3	-27.7	174.2	-77.5	-175.5	173.2	179.8	0	113.9	T521	T521-K523 PolarHBondContact O-N 3.39Å
524	T	36.3	Very low	38.8	Very low	69 Å²	69	109.9 Å²	109.9	42%	0.423	59%	0.585	S	S	.	*	H	α-helix	trans	-84.4	-31.3	-175.9	-36	0	0	0	0	112.5	T521 T526 I527 V528	T521-T524 PolarHBondContact O-N 2.86Å; T524-T526 PolarHBondContact O-N 3.14Å; T524-I527 PolarHBondContact O-N 3.43Å; T524-V528 PolarHBondContact O-N 3.19Å
525	A	34.6	Very low	37.3	Very low	42 Å²	42	110.7 Å²	110.7	35%	0.347	60%	0.595	S	S	.	*	H	α-helix	trans	-56.4	-38.2	175.9	0	0	0	0	0	112.6	V520 I527 V528 Q529	V520-A525 HydrophobicContact CG1-CB 4.47Å; A525-I527 PolarHBondContact O-N 2.88Å; A525-V528 PolarHBondContact O-N 2.82Å; A525-Q529 PolarHBondContact O-N 3.32Å; A525-Q529 VanDerWaalsContact O-N 3.12Å
526	T	35.8	Very low	35.9	Very low	76 Å²	76	114.3 Å²	114.3	47%	0.466	61%	0.606	S	S	.	*	H	α-helix	trans	-69.2	-18.1	178.2	-29.4	0	0	0	0	113.7	K522 T524 K530	K522-T526 PolarHBondContact O-OG1 3.33Å; T524-T526 PolarHBondContact O-N 3.14Å; T526-K530 WeakPolarHBondContact O-CG 3.36Å
527	I	39.9	Very low	35.5	Very low	106 Å²	106	112.9 Å²	112.9	54%	0.544	60%	0.596	S	S	.	*	H	α-helix	trans	-87.7	-40.8	177.9	-59.7	175.7	0	0	0	109.9	T524 A525 K530 N531	T524-I527 PolarHBondContact O-N 3.43Å; A525-I527 PolarHBondContact O-N 2.88Å; I527-K530 PolarHBondContact O-N 3.48Å; I527-K530 VanDerWaalsContact O-N 3.16Å; I527-N531 PolarHBondContact O-N 3.08Å; I527-N531 VanDerWaalsContact O-N 3.16Å
528	V	38.5	Very low	35.6	Very low	82 Å²	82	110.7 Å²	110.7	50%	0.497	59%	0.59	S	S	.	*	H	α-helix	trans	-61.4	-47.6	174.1	-178.5	0	0	0	0	110.7	T524 A525 K530 N531 E532	T524-V528 PolarHBondContact O-N 3.19Å; A525-V528 PolarHBondContact O-N 2.82Å; V528-K530 PolarHBondContact O-N 2.89Å; V528-K530 VanDerWaalsContact O-N 3.14Å; V528-N531 PolarHBondContact O-N 3.38Å; V528-E532 PolarHBondContact O-N 3.39Å
529	Q	37.8	Very low	35.9	Very low	126 Å²	126	112 Å²	112	59%	0.589	59%	0.586	S	S	*	*	H	α-helix	trans	-62.9	-19.5	175.8	-73.2	-175.5	-13.1	0	0	114.6	A525	A525-Q529 PolarHBondContact O-N 3.32Å; A525-Q529 VanDerWaalsContact O-N 3.12Å
530	K	40.1	Very low	36	Very low	156 Å²	156	112.5 Å²	112.5	68%	0.678	58%	0.582	S	S	*	*	H	α-helix	trans	-83.4	-33.3	173.2	-83.1	-176.2	175	-174.9	0	112.4	T526 I527 V528	T526-K530 WeakPolarHBondContact O-CG 3.36Å; I527-K530 PolarHBondContact O-N 3.48Å; I527-K530 VanDerWaalsContact O-N 3.16Å; V528-K530 PolarHBondContact O-N 2.89Å; V528-K530 VanDerWaalsContact O-N 3.14Å
531	N	39.9	Very low	36.4	Very low	107 Å²	107	112.1 Å²	112.1	57%	0.572	58%	0.584	S	S	*	*	H	α-helix	trans	-79.5	-28.9	176.5	-81.9	-3.8	0	0	0	113.5	I527 V528 K533 S534 V535	I527-N531 PolarHBondContact O-N 3.08Å; I527-N531 VanDerWaalsContact O-N 3.16Å; V528-N531 PolarHBondContact O-N 3.38Å; N531-K533 PolarHBondContact O-N 3.06Å; N531-S534 WeakPolarHBondContact O-CB 3.36Å; N531-S534 PolarHBondContact O-N 3.27Å; N531-V535 PolarHBondContact O-N 3.43Å
532	E	38.6	Very low	36.6	Very low	111 Å²	111	113.8 Å²	113.8	52%	0.519	59%	0.594	S	S	.	*	H	α-helix	trans	-57.8	-32.4	173.2	-75.1	177.2	150.7	0	0	112.7	V528 S534 V535 M536	V528-E532 PolarHBondContact O-N 3.39Å; E532-S534 VanDerWaalsContact C-N 3.26Å; E532-S534 PolarHBondContact O-N 3.05Å; E532-V535 PolarHBondContact O-N 3.24Å; E532-M536 VanDerWaalsContact O-CB 3.26Å; E532-M536 WeakPolarHBondContact O-CB 3.4Å; E532-M536 WeakPolarHBondContact O-CG 3.31Å; E532-M536 PolarHBondContact O-N 3.19Å
533	K	38.9	Very low	36.6	Very low	169 Å²	169	109.2 Å²	109.2	74%	0.735	59%	0.587	S	S	*	*	H	α-helix	trans	-68.7	-21.1	175.6	-67.9	-175.7	179.2	-178.1	0	113.9	N531	N531-K533 PolarHBondContact O-N 3.06Å
534	S	37.9	Very low	36.3	Very low	80 Å²	80	111.3 Å²	111.3	56%	0.559	59%	0.59	S	S	*	*	H	α-helix	trans	-87.5	-36	175.7	-169.7	0	0	0	0	112.1	N531 E532 S537	N531-S534 WeakPolarHBondContact O-CB 3.36Å; N531-S534 PolarHBondContact O-N 3.27Å; E532-S534 VanDerWaalsContact C-N 3.26Å; E532-S534 PolarHBondContact O-N 3.05Å; S534-S537 PolarHBondContact O-OG 3.01Å
535	V	37.8	Very low	36	Very low	91 Å²	91	116.3 Å²	116.3	55%	0.552	61%	0.611	S	S	*	*	H	α-helix	trans	-73.6	-35.6	175.4	-176.5	0	0	0	0	111.2	N531 E532 S537 A538 F539	N531-V535 PolarHBondContact O-N 3.43Å; E532-V535 PolarHBondContact O-N 3.24Å; V535-S537 VanDerWaalsContact C-N 3.3Å; V535-S537 PolarHBondContact O-N 3.46Å; V535-A538 PolarHBondContact O-N 3.48Å; V535-F539 PolarHBondContact O-N 3.25Å
536	M	34.5	Very low	35.8	Very low	104 Å²	104	120.9 Å²	120.9	51%	0.512	63%	0.629	S	S	.	*	H	α-helix	trans	-71.2	-17.6	176.5	-72.5	-70.3	-83.1	0	0	114.3	E532 R540	E532-M536 VanDerWaalsContact O-CB 3.26Å; E532-M536 WeakPolarHBondContact O-CB 3.4Å; E532-M536 WeakPolarHBondContact O-CG 3.31Å; E532-M536 PolarHBondContact O-N 3.19Å; M536-R540 VanDerWaalsContact O-CD 3.3Å; M536-R540 WeakPolarHBondContact O-CD 3.42Å; M536-R540 WeakPolarHBondContact O-CG 3.39Å; M536-R540 PolarHBondContact O-N 2.96Å
537	S	35.5	Very low	35.6	Very low	75 Å²	75	123.3 Å²	123.3	52%	0.524	65%	0.645	S	S	.	*	H	α-helix	trans	-79.9	-32.7	171.2	60.8	0	0	0	0	112.1	S534 V535	S534-S537 PolarHBondContact O-OG 3.01Å; V535-S537 VanDerWaalsContact C-N 3.3Å; V535-S537 PolarHBondContact O-N 3.46Å
538	A	35.6	Very low	34.9	Very low	65 Å²	65	124.4 Å²	124.4	54%	0.537	66%	0.657	S	S	.	*	H	α-helix	trans	-67	-43.9	172.8	0	0	0	0	0	112.2	V535 R540 S541	V535-A538 PolarHBondContact O-N 3.48Å; A538-R540 VanDerWaalsContact C-N 3.29Å; A538-R540 PolarHBondContact O-N 3.27Å; A538-S541 PolarHBondContact O-N 2.73Å
539	F	34.2	Very low	34.4	Very low	149 Å²	149	127.4 Å²	127.4	65%	0.654	68%	0.675	S	S	*	*	H	α-helix	trans	-65.1	-28.9	177.7	-109.1	-96.2	0	0	0	113.7	V535 S541 V542	V535-F539 PolarHBondContact O-N 3.25Å; F539-S541 PolarHBondContact O-N 2.93Å; F539-V542 PolarHBondContact O-N 2.71Å
540	R	32.8	Very low	34	Very low	184 Å²	184	125.7 Å²	125.7	69%	0.694	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-7.8	179.6	-78.6	172.3	-177.5	-173.8	-0	114.9	M536 A538	M536-R540 VanDerWaalsContact O-CD 3.3Å; M536-R540 WeakPolarHBondContact O-CD 3.42Å; M536-R540 WeakPolarHBondContact O-CG 3.39Å; M536-R540 PolarHBondContact O-N 2.96Å; A538-R540 VanDerWaalsContact C-N 3.29Å; A538-R540 PolarHBondContact O-N 3.27Å
541	S	35.8	Very low	33.2	Very low	99 Å²	99	127.2 Å²	127.2	69%	0.692	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-18.4	176.3	-144.2	0	0	0	0	113.5	A538 F539	A538-S541 PolarHBondContact O-N 2.73Å; F539-S541 PolarHBondContact O-N 2.93Å
542	V	35.7	Very low	32.6	Very low	125 Å²	125	133.4 Å²	133.4	76%	0.758	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-24.3	-173.5	-175.1	0	0	0	0	112.7	F539 R544	F539-V542 PolarHBondContact O-N 2.71Å; V542-R544 VanDerWaalsContact C-N 3.29Å; V542-R544 PolarHBondContact O-N 3.4Å; V542-R544 VanDerWaalsContact O-N 3.15Å
543	S	33.2	Very low	32	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	72%	0.721	S	S	*	*			trans	-85.6	33.6	-178.3	-52.7	0	0	0	0	115.2
544	R	29.7	Very low	31.5	Very low	222 Å²	222	130 Å²	130	84%	0.838	73%	0.726	S	S	*	*			trans	-100.5	13.5	179.3	-80.2	-164.7	-178.2	-163.9	2.5	115.3	V542	V542-R544 VanDerWaalsContact C-N 3.29Å; V542-R544 PolarHBondContact O-N 3.4Å; V542-R544 VanDerWaalsContact O-N 3.15Å
545	M	29.4	Very low	30.9	Very low	174 Å²	174	131 Å²	131	86%	0.857	73%	0.734	S	S	*	*	S	Bend	trans	-129.3	123.2	172.7	-67.4	-171.8	178.7	0	0	111.3
546	L	29.4	Very low	30.5	Very low	138 Å²	138	135 Å²	135	72%	0.723	75%	0.746	S	S	*	*	S	Bend	trans	101.7	138.8	175.3	-58.3	168.9	0	0	0	116.4
547	P	32.3	Very low	30.2	Very low	126 Å²	126	138.1 Å²	138.1	82%	0.818	76%	0.759	S	S	*	*			trans	-95.6	142.6	-154.6	-3.3	25.3	0	0	0	113.8
548	V	26	Very low	29.8	Very low	129 Å²	129	142.1 Å²	142.1	78%	0.782	77%	0.77	S	S	*	*			trans	-75	132.7	173.7	175.1	0	0	0	0	110.8
549	V	28.3	Very low	29.4	Very low	145 Å²	145	143 Å²	143	88%	0.879	78%	0.777	S	S	*	*			trans	-113.3	122	152.2	179.3	0	0	0	0	107.4
550	S	28.2	Very low	29.1	Very low	91 Å²	91	143.7 Å²	143.7	64%	0.636	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-92.2	127.6	-169.9	-179.9	0	0	0	0	111.3
551	M	23.7	Very low	28.8	Very low	188 Å²	188	142.9 Å²	142.9	93%	0.926	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-83.6	119.5	160.6	-74.3	-162.9	-73.4	0	0	109.1
552	R	27.7	Very low	28.7	Very low	237 Å²	237	145.3 Å²	145.3	89%	0.894	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.1	130.1	163.8	-80.9	-176.6	171.4	169.2	-2.6	109.1
553	A	24.7	Very low	28.5	Very low	105 Å²	105	145.3 Å²	145.3	87%	0.868	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-71	145.9	164.4	0	0	0	0	0	110.1
554	A	28.9	Very low	28.2	Very low	103 Å²	103	147.6 Å²	147.6	85%	0.851	80%	0.804	S	S	*	*			trans	-138.2	130.5	158.4	0	0	0	0	0	107.3
555	S	25.1	Very low	28.2	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	80%	0.804	S	S	*	*			trans	-93.1	143.2	174.8	49.2	0	0	0	0	109.8
556	E	29.7	Very low	28.3	Very low	175 Å²	175	139.9 Å²	139.9	82%	0.818	80%	0.802	S	S	*	*			trans	-172	136	144.8	-105.6	144.6	-151.7	0	0	109.4
557	E	29.2	Very low	28.1	Very low	168 Å²	168	137.2 Å²	137.2	79%	0.785	80%	0.799	S	S	*	*			trans	45.2	150.7	130.8	-68.5	-168.4	150.9	0	0	121.3
558	Q	26.5	Very low	27.9	Very low	160 Å²	160	140.3 Å²	140.3	75%	0.748	80%	0.803	S	S	*	*			cis	-169.6	147.3	-14.8	-179.5	88.3	-29	0	0	104.5
559	A	26.2	Very low	28.1	Very low	82 Å²	82	138.5 Å²	138.5	68%	0.678	80%	0.801	S	S	*	*			trans	37.3	125.8	161.8	0	0	0	0	0	120.8
560	D	29.7	Very low	28.2	Very low	165 Å²	165	139.4 Å²	139.4	88%	0.882	80%	0.8	S	S	*	*				-156	124.8	120.3	-98.7	-24.1	0	0	0	110.6
561	L	26.4	Very low	28.2	Very low	167 Å²	167	139.6 Å²	139.6	87%	0.874	80%	0.801	S	S	*	*			trans	-114.7	120.6	171	-102.5	165.8	0	0	0	105.2
562	D	32.4	Very low	28.6	Very low	150 Å²	150	136.2 Å²	136.2	80%	0.802	80%	0.797	S	S	*	*			trans	-150.8	135.5	169	-116.8	-14.3	0	0	0	116.1
563	V	30.9	Very low	28.8	Very low	125 Å²	125	129.1 Å²	129.1	76%	0.758	80%	0.797	S	S	*	*			trans	66.6	94.8	150.7	-170.5	0	0	0	0	120.4
564	I	27.8	Very low	29	Very low	148 Å²	148	127 Å²	127	76%	0.759	79%	0.786	S	S	*	*			trans	-47.1	136.7	140.8	-63.4	153.2	0	0	0	111.8
565	D	30.4	Very low	29.2	Very low	155 Å²	155	131.1 Å²	131.1	83%	0.829	79%	0.787	S	S	*	*				174.6	163.1	106.9	-134.9	-33.8	0	0	0	113.3
566	G	29.9	Very low	29.5	Very low	79 Å²	79	131.9 Å²	131.9	81%	0.814	79%	0.787	S	S	*	*			trans	148.7	55.2	170.3	0	0	0	0	0	116.7
567	A	26.8	Very low	29.5	Very low	81 Å²	81	129.2 Å²	129.2	67%	0.669	78%	0.783	S	S	*	*			trans	-105.1	157.3	-178.5	0	0	0	0	0	114.9
568	Q	27.4	Very low	29.4	Very low	192 Å²	192	129.5 Å²	129.5	90%	0.897	78%	0.782	S	S	*	*			trans	80.2	163.1	153.9	-64.9	178.6	-0.2	0	0	121.7
569	A	30.7	Very low	29.4	Very low	90 Å²	90	130.5 Å²	130.5	74%	0.744	78%	0.784	S	S	*	*			trans	75.3	133.2	175.7	0	0	0	0	0	117.4
570	L	30.9	Very low	29.2	Very low	165 Å²	165	136.4 Å²	136.4	86%	0.864	79%	0.794	S	S	*	*			cis	-153.8	167.2	6.2	-109.2	151	0	0	0	112.9
571	S	27.9	Very low	29	Very low	94 Å²	94	133.6 Å²	133.6	66%	0.657	79%	0.788	S	S	*	*			trans	-66.1	158.8	-173.8	55.6	0	0	0	0	118.4
572	S	32.3	Very low	28.9	Very low	118 Å²	118	133.7 Å²	133.7	83%	0.825	79%	0.788	S	S	*	*				167.5	139.8	102.4	49.6	0	0	0	0	115.9
573	G	31	Very low	28.6	Very low	88 Å²	88	133.5 Å²	133.5	91%	0.907	79%	0.787	S	S	*	*			trans	71.6	134.3	162.5	0	0	0	0	0	118.8
574	G	29.9	Very low	28.2	Very low	61 Å²	61	137.9 Å²	137.9	63%	0.629	79%	0.789	S	S	*	*			cis	171.6	159.5	-7.2	0	0	0	0	0	111.6
575	H	32.4	Very low	28.2	Very low	188 Å²	188	139.2 Å²	139.2	87%	0.87	79%	0.792	S	S	*	*			trans	67.4	138.8	173	-53.4	-102.5	0	0	0	116.2
576	T	30.8	Very low	27.9	Very low	118 Å²	118	137.2 Å²	137.2	72%	0.724	79%	0.789	S	S	*	*			cis	-156.5	123.7	5.6	-15.7	0	0	0	0	111.9
577	V	29.3	Very low	27.7	Very low	119 Å²	119	138.2 Å²	138.2	72%	0.721	78%	0.783	S	S	*	*			trans	35.7	118.1	139.6	-160.3	0	0	0	0	122
578	F	28.2	Very low	27.7	Very low	175 Å²	175	141.6 Å²	141.6	77%	0.768	79%	0.79	S	S	*	*				-175.8	132.2	105.8	-131.7	-98.8	0	0	0	114.2
579	F	26	Very low	27.7	Very low	181 Å²	181	142.7 Å²	142.7	79%	0.794	79%	0.792	S	S	*	*			trans	59.5	107	164.3	-95.7	-120.3	0	0	0	123.6
580	K	22.2	Very low	27.3	Very low	205 Å²	205	147.8 Å²	147.8	89%	0.891	80%	0.798	S	S	*	*			trans	-99.1	144.8	142.6	-79.9	176.9	171.6	176.7	0	108.6
581	S	26.5	Very low	27.1	Very low	106 Å²	106	146.1 Å²	146.1	74%	0.741	80%	0.799	S	S	*	*				170.4	108.4	129.2	-172.5	0	0	0	0	112
582	L	24.2	Very low	26.9	Very low	169 Å²	169	146.9 Å²	146.9	89%	0.885	80%	0.799	S	S	*	*				-166.9	132.8	117.2	-136.3	75.5	0	0	0	110.3
583	L	24.4	Very low	26.6	Very low	147 Å²	147	147.7 Å²	147.7	77%	0.77	80%	0.803	S	S	*	*			trans	-131.1	135.1	173.5	-103.4	167.4	0	0	0	107.5
584	R	23.8	Very low	26.2	Very low	216 Å²	216	149.4 Å²	149.4	82%	0.815	79%	0.791	S	S	*	*			trans	59.3	122.8	162.7	-55.5	176.4	-175.1	-166.5	0.1	117.4
585	H	26.4	Very low	25.9	Very low	177 Å²	177	156.9 Å²	156.9	82%	0.819	80%	0.8	S	S	*	*				175.9	161.9	115.9	-94.2	87	0	0	0	110.3
586	C	25.7	Very low	25.6	Very low	112 Å²	112	155.8 Å²	155.8	76%	0.757	80%	0.8	S	S	*	*			trans	66.7	118	176.4	-54	0	0	0	0	114.7
587	S	25.2	Very low	25.4	Very low	100 Å²	100	156.2 Å²	156.2	70%	0.699	80%	0.802	S	S	*	*			cis	57	112.7	22.5	76.2	0	0	0	0	115.4
588	D	26.3	Very low	25.1	Very low	152 Å²	152	156.1 Å²	156.1	81%	0.813	80%	0.801	S	S	*	*			trans	59.5	98.1	167.6	-59	-40.3	0	0	0	119.6
589	F	27.7	Very low	25	Very low	215 Å²	215	155.3 Å²	155.3	94%	0.943	80%	0.804	S	S	*	*			trans	-149.5	111.3	134.1	-115.1	-78.4	0	0	0	111.2
590	K	23.3	Very low	25	Very low	197 Å²	197	156 Å²	156	86%	0.857	81%	0.81	S	S	*	*			trans	-82.1	136.2	163.6	-79.1	175.1	175.8	170.1	0	108.7
591	C	26.2	Very low	25.2	Very low	131 Å²	131	154.1 Å²	154.1	89%	0.885	81%	0.805	S	S	*	*			trans	-132.1	128.9	152.4	-163.3	0	0	0	0	109.1
592	V	22.9	Very low	25.3	Very low	110 Å²	110	157.5 Å²	157.5	67%	0.667	81%	0.808	S	S	*	*			trans	-100.8	135.5	-171.6	170	0	0	0	0	109.8	L594	V592-L594 HydrophobicContact CG1-CD1 3.62Å
593	C	26	Very low	25.7	Very low	134 Å²	134	155.5 Å²	155.5	91%	0.905	80%	0.799	S	S	*	*			trans	-149.6	144.5	146.4	-143.6	0	0	0	0	111.3
594	L	23.4	Very low	25.8	Very low	124 Å²	124	155.3 Å²	155.3	65%	0.649	80%	0.799	S	S	*	*			trans	-92.9	171.4	-157.3	-96.7	76.5	0	0	0	115.5	V592	V592-L594 HydrophobicContact CG1-CD1 3.62Å
595	R	24.1	Very low	26.4	Very low	219 Å²	219	149.5 Å²	149.5	83%	0.826	79%	0.787	S	S	*	*			trans	73.3	119	151.2	-77.3	156.9	-174	-171.7	2.1	115.8
596	L	25.9	Very low	27	Very low	165 Å²	165	149 Å²	149	86%	0.864	79%	0.79	S	S	*	*			cis	-164.5	136.1	45.1	-97.8	137.4	0	0	0	113.1
597	V	24.7	Very low	27.2	Very low	127 Å²	127	147.9 Å²	147.9	77%	0.77	78%	0.784	S	S	*	*			trans	-40.4	137.2	159.8	-179	0	0	0	0	111.8
598	T	24.9	Very low	27.7	Very low	116 Å²	116	146.3 Å²	146.3	71%	0.712	78%	0.783	S	S	*	*				-159.9	153.3	65.2	6.8	0	0	0	0	114.5
599	L	24.8	Very low	28.2	Very low	159 Å²	159	143.1 Å²	143.1	83%	0.832	77%	0.766	S	S	*	*			trans	61.1	82.3	152.6	-61.7	171.7	0	0	0	118.9
600	Q	26.1	Very low	28.5	Very low	195 Å²	195	140.6 Å²	140.6	91%	0.911	76%	0.761	S	S	*	*			trans	-81	128	141.5	-70.9	173.5	-87	0	0	108.1
601	Q	27.6	Very low	29.1	Very low	166 Å²	166	134.2 Å²	134.2	78%	0.776	75%	0.751	S	S	*	*			trans	-113.1	115.8	163.8	-165.9	168.4	1.8	0	0	106.2	D603	Q601-D603 PolarHBondContact O-N 3.34Å
602	E	27.5	Very low	30.3	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.822	72%	0.722	S	S	*	*			trans	-71.5	114.2	173.8	-66.5	171.9	140.7	0	0	107.3	D604	E602-D604 PolarHBondContact O-N 3.26Å
603	D	32.9	Very low	32.3	Very low	127 Å²	127	125.5 Å²	125.5	68%	0.679	71%	0.706	S	S	*	*			trans	-74.3	106.7	167.8	-87.5	-20.1	0	0	0	107.2	Q601 V605	Q601-D603 PolarHBondContact O-N 3.34Å; D603-V605 HydrophobicContact CB-CG2 4.48Å; D603-V605 WeakPolarHBondContact O-CG2 3.23Å; D603-V605 PolarHBondContact O-N 2.67Å; D603-V605 VanDerWaalsContact O-N 3.12Å
604	D	27.3	Very low	34.7	Very low	144 Å²	144	122.7 Å²	122.7	77%	0.77	68%	0.678	S	S	*	*			trans	-55.5	110.1	168.6	-85.1	-50.5	0	0	0	110.3	E602	E602-D604 PolarHBondContact O-N 3.26Å
605	V	35.4	Very low	37.6	Very low	93 Å²	93	119.8 Å²	119.8	56%	0.564	66%	0.659	S	S	*	*			trans	-116.6	49.5	173.8	-158.5	0	0	0	0	111.8	D603	D603-V605 HydrophobicContact CB-CG2 4.48Å; D603-V605 WeakPolarHBondContact O-CG2 3.23Å; D603-V605 PolarHBondContact O-N 2.67Å; D603-V605 VanDerWaalsContact O-N 3.12Å
606	D	38.6	Very low	40.6	Very low	168 Å²	168	109.4 Å²	109.4	90%	0.898	62%	0.62	S	S	*	*	S	Bend	trans	-135.2	1	161.5	-140.6	1.7	0	0	0	113.6
607	S	31.3	Very low	43.4	Very low	88 Å²	88	103.4 Å²	103.4	62%	0.615	59%	0.588	S	S	*	*	S	Bend	trans	-110.8	89.9	-178.7	61.4	0	0	0	0	113	L609	S607-L609 PolarHBondContact O-N 2.69Å
608	G	34.5	Very low	46.3	Very low	67 Å²	67	97.7 Å²	97.7	69%	0.691	56%	0.555	S	S	*	*			trans	41.9	72.2	154.7	0	0	0	0	0	117.9	L610	G608-L610 PolarHBondContact O-N 2.81Å
609	L	37.3	Very low	49.2	Very low	85 Å²	85	92.4 Å²	92.4	45%	0.445	52%	0.522	S	S	.	.			trans	-49.7	98.2	175.2	-87.8	162.8	0	0	0	113.4	S607	S607-L609 PolarHBondContact O-N 2.69Å
610	L	33.5	Very low	52.1	Low	162 Å²	162	85.1 Å²	85.1	85%	0.848	48%	0.484	S	S	*	.			trans	-115	112.5	166.9	-85.8	160.6	0	0	0	108	G608	G608-L610 PolarHBondContact O-N 2.81Å
611	G	35.9	Very low	54.9	Low	63 Å²	63	75.9 Å²	75.9	65%	0.649	44%	0.441	S	S	*	.			trans	96.4	21.3	170.1	0	0	0	0	0	117.6	G613	G611-G613 PolarHBondContact O-N 3.2Å
612	G	51.1	Low	57.4	Low	26 Å²	26	68 Å²	68	27%	0.268	40%	0.404	S	S	.	.			trans	-72.9	89.2	174	0	0	0	0	0	113.2	K614	G612-K614 PolarHBondContact O-N 3.01Å
613	G	65.7	Low	60	Low	32 Å²	32	59.8 Å²	59.8	33%	0.33	37%	0.366	S	S	.	.			trans	-70.6	26.3	179.2	0	0	0	0	0	116.4	G515 G611	G515-G613 WeakPolarHBondContact CA-O 3.39Å; G611-G613 PolarHBondContact O-N 3.2Å
614	K	75.8	Confident	62	Low	74 Å²	74	54.8 Å²	54.8	32%	0.322	34%	0.338	S	S	.	.			trans	-96	140.5	178.2	-70.3	171.1	-179.4	167	0	109.9	D513 F514 G612	D513-K614 WeakPolarHBondContact OD1-CA 3.28Å; F514-K614 WeakPolarHBondContact O-CE 3.39Å; G612-K614 PolarHBondContact O-N 3.01Å
615	Y	85.7	Confident	64.3	Low	64 Å²	64	49.1 Å²	49.1	25%	0.251	31%	0.307	S	S	.	.	S	Bend	trans	-89	-38.4	-179.9	-78.4	-84	0	0	0	113.3	R407 W504 D513	R407-Y615 HydrophobicContact CB-CD1 4.22Å; R407-Y615 WeakPolarHBondContact CD-O 3.48Å; R407-Y615 PolarHBondContact NH1-O 2.95Å; W504-Y615 AromaticContact CH2-CD1 3.39Å; W504-Y615 HydrophobicContact CH2-CD1 3.39Å; W504-Y615 AromaticContact CH2-CE1 3.91Å; W504-Y615 HydrophobicContact CH2-CE1 3.91Å; W504-Y615 HydrophobicContact CH2-CG 4.34Å; W504-Y615 HydrophobicContact CZ2-CD1 4.22Å; W504-Y615 AromaticContact CZ3-CD1 3.77Å; W504-Y615 HydrophobicContact CZ3-CD1 3.77Å; W504-Y615 HydrophobicContact CZ3-CG 4.31Å; D513-Y615 VanDerWaalsContact CG-N 3.32Å; D513-Y615 PolarHBondContact OD1-N 3.43Å; D513-Y615 PolarHBondContact OD2-N 3.21Å; D513-Y615 VanDerWaalsContact OD2-N 3.11Å
616	W	86.6	Confident	66	Low	0 Å²	0	48.1 Å²	48.1	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-110.5	138.4	175.4	-60.2	-95.5	0	0	0	107.7	R407 W504 R510 D513 D620 Y621 R642 Y654 H656	R407-W616 VanDerWaalsContact NH1-CD1 3.34Å; W504-W616 AromaticContact CE3-CE2 3.83Å; W504-W616 AromaticContact CE3-CZ2 3.89Å; W504-W616 HydrophobicContact CE3-CZ2 3.89Å; W504-W616 AromaticContact CE3-NE1 3.76Å; W504-W616 HydrophobicContact CZ3-CH2 4.24Å; W504-W616 AromaticContact CZ3-CZ2 3.77Å; W504-W616 HydrophobicContact CZ3-CZ2 3.77Å; W504-W616 PolarHBondContact O-NE1 3.02Å; R510-W616 HydrophobicContact CB-CH2 3.94Å; R510-W616 HydrophobicContact CB-CZ3 4.18Å; R510-W616 HydrophobicContact CG-CH2 4.26Å; D513-W616 HydrophobicContact CB-CE3 3.56Å; D513-W616 HydrophobicContact CB-CZ3 3.96Å; D513-W616 PolarHBondContact OD2-N 3.3Å; W616-D620 HydrophobicContact CB-CB 4.46Å; W616-Y621 HydrophobicContact CB-CD2 4.3Å; W616-R642 PolarHBondContact O-NH1 3.49Å; W616-R642 VanDerWaalsContact O-NH1 3.12Å; W616-R642 PolarHBondContact O-NH2 3.2Å; W616-Y654 AromaticContact CD1-CE2 3.69Å; W616-Y654 AromaticContact CD1-CZ 3.49Å; W616-Y654 VanDerWaalsContact CD1-CZ 3.49Å; W616-Y654 HydrophobicContact CD2-CE1 4.48Å; W616-Y654 HydrophobicContact CD2-CE2 4.28Å; W616-Y654 AromaticContact CE2-CE1 3.86Å; W616-Y654 AromaticContact CE2-CZ 3.74Å; W616-Y654 AromaticContact CG-CE2 3.93Å; W616-Y654 HydrophobicContact CG-CE2 3.93Å; W616-Y654 HydrophobicContact CZ2-CE1 4.04Å; W616-Y654 AromaticContact NE1-CE1 3.84Å; W616-Y654 AromaticContact NE1-CE2 3.99Å; W616-Y654 AromaticContact NE1-CZ 3.33Å; W616-Y654 VanDerWaalsContact NE1-CZ 3.33Å; W616-Y654 PolarHBondContact NE1-OH 3.05Å; W616-H656 AromaticContact CH2-CE1 3.99Å; W616-H656 AromaticContact CZ2-CE1 3.97Å
617	I	84.9	Confident	67.6	Low	39 Å²	39	43.2 Å²	43.2	20%	0.2	27%	0.266	C	S	.	.			trans	-121.1	129.2	-173.9	-61.9	178.1	0	0	0	109.9	Y404 A409 K619 D620 Y636	Y404-I617 HydrophobicContact CD2-CD1 4.03Å; Y404-I617 HydrophobicContact CE2-CD1 3.9Å; A409-I617 HydrophobicContact CB-CD1 3.83Å; I617-K619 PolarHBondContact O-N 3Å; I617-D620 WeakPolarHBondContact O-CB 3.42Å; I617-D620 PolarHBondContact O-N 3.02Å; I617-Y636 HydrophobicContact CG2-CD1 3.66Å; I617-Y636 HydrophobicContact CG2-CE1 3.83Å
618	G	84.7	Confident	69.5	Low	7 Å²	7	42.2 Å²	42.2	7%	0.072	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	54.7	-121.4	177.9	0	0	0	0	0	113.4	D620 Y621 P635 Y636	G618-D620 PolarHBondContact O-N 3.49Å; G618-Y621 PolarHBondContact O-N 2.9Å; G618-P635 WeakPolarHBondContact CA-O 3.4Å; G618-Y636 WeakPolarHBondContact CA-O 3.38Å
619	K	85.9	Confident	71.4	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.026	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62	-21.7	179.3	-69.7	-65.4	172.1	40.3	0	114.6	Y501 I617 Y621 F629 T630 A631 L634 P635 N637 T639	Y501-K619 HydrophobicContact CD2-CB 3.91Å; Y501-K619 HydrophobicContact CE2-CB 3.84Å; Y501-K619 HydrophobicContact CG-CB 4.3Å; I617-K619 PolarHBondContact O-N 3Å; K619-Y621 PolarHBondContact O-N 3.07Å; K619-F629 WeakPolarHBondContact O-CE1 3.48Å; K619-T630 WeakPolarHBondContact CE-O 3.39Å; K619-T630 PolarHBondContact NZ-O 3.24Å; K619-A631 PolarHBondContact NZ-O 3.04Å; K619-L634 WeakPolarHBondContact CG-O 3.29Å; K619-L634 PolarHBondContact NZ-O 3.32Å; K619-P635 WeakPolarHBondContact CG-O 3.46Å; K619-P635 PolarHBondContact N-O 2.88Å; K619-N637 WeakPolarHBondContact CD-O 3.43Å; K619-N637 WeakPolarHBondContact CE-O 3.44Å; K619-N637 VanDerWaalsContact CG-O 3.31Å; K619-N637 WeakPolarHBondContact CG-O 3.29Å; K619-N637 PolarHBondContact N-O 3.36Å; K619-T639 WeakPolarHBondContact CD-OG1 3.2Å
620	D	86.8	Confident	73.2	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.027	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-67.2	-16.3	177.2	-166.6	58	0	0	0	113.2	R407 Y501 G502 W616 I617 G618 Y654	R407-D620 IonicContact CZ-OD2 3.68Å; R407-D620 IonicContact NH1-OD2 2.93Å; R407-D620 PolarHBondContact NH1-OD2 3.46Å; R407-D620 IonicContact NH2-OD1 3.63Å; R407-D620 IonicContact NH2-OD2 3.48Å; R407-D620 PolarHBondContact NH2-OD2 3.43Å; Y501-D620 VanDerWaalsContact CA-OD1 3.29Å; Y501-D620 WeakPolarHBondContact CA-OD1 3.47Å; Y501-D620 HydrophobicContact CD1-CB 3.62Å; Y501-D620 HydrophobicContact CE1-CB 4.26Å; Y501-D620 HydrophobicContact CG-CB 4.44Å; G502-D620 PolarHBondContact N-OD1 2.89Å; W616-D620 HydrophobicContact CB-CB 4.46Å; I617-D620 WeakPolarHBondContact O-CB 3.42Å; I617-D620 PolarHBondContact O-N 3.02Å; G618-D620 PolarHBondContact O-N 3.49Å; D620-Y654 WeakPolarHBondContact O-CE2 3.41Å
621	Y	83.4	Confident	75.2	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	20%	0.199	C	C	.	.	S	Bend	trans	-85.4	103.5	169.4	-171	-89.3	0	0	0	110.5	D513 W616 G618 K619 L640 R642 A652 Y654	D513-Y621 HydrophobicContact CB-CD2 4.23Å; D513-Y621 HydrophobicContact CB-CE2 4.11Å; W616-Y621 HydrophobicContact CB-CD2 4.3Å; G618-Y621 PolarHBondContact O-N 2.9Å; K619-Y621 PolarHBondContact O-N 3.07Å; Y621-L640 HydrophobicContact CD1-CB 4.35Å; Y621-L640 HydrophobicContact CE1-CB 4.46Å; Y621-R642 HydrophobicContact CD1-CG 4.09Å; Y621-R642 HydrophobicContact CE1-CG 4.04Å; Y621-R642 HydrophobicContact CG-CG 4.42Å; Y621-A652 PolarHBondContact OH-O 3.05Å; Y621-Y654 AromaticContact CD2-CD2 3.57Å; Y621-Y654 HydrophobicContact CD2-CD2 3.57Å; Y621-Y654 HydrophobicContact CD2-CE2 4.38Å; Y621-Y654 HydrophobicContact CD2-CG 4.26Å; Y621-Y654 AromaticContact CE2-CD2 3.82Å; Y621-Y654 HydrophobicContact CE2-CD2 3.82Å; Y621-Y654 HydrophobicContact CE2-CG 4.07Å; Y621-Y654 AromaticContact CG-CD2 3.95Å; Y621-Y654 HydrophobicContact CG-CD2 3.95Å; Y621-Y654 PolarHBondContact OH-N 3.46Å
622	V	81	Confident	77.2	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.168	C	C	.	.			trans	-136.5	158.1	-167.2	63.6	0	0	0	0	113.8	F624 F629 Y654 S655	V622-F624 HydrophobicContact CG1-CD2 4.4Å; V622-F624 HydrophobicContact CG1-CE1 4.46Å; V622-F624 HydrophobicContact CG1-CE2 3.8Å; V622-F624 HydrophobicContact CG1-CZ 3.84Å; V622-F624 HydrophobicContact CG2-CD1 4.36Å; V622-F624 HydrophobicContact CG2-CE1 4.46Å; V622-F624 HydrophobicContact CG2-CG 4.43Å; V622-F629 HydrophobicContact CB-CE1 4.14Å; V622-F629 HydrophobicContact CB-CZ 3.89Å; V622-F629 HydrophobicContact CG1-CZ 4.03Å; V622-F629 HydrophobicContact CG2-CE1 3.98Å; V622-F629 HydrophobicContact CG2-CE2 3.92Å; V622-F629 HydrophobicContact CG2-CZ 3.53Å; V622-Y654 HydrophobicContact CG1-CE2 4.17Å; V622-Y654 VanDerWaalsContact N-CE2 3.31Å; V622-Y654 WeakPolarHBondContact O-CD2 3.49Å; V622-S655 PolarHBondContact O-N 3.39Å
623	N	81.7	Confident	78.6	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-140.1	101.9	161.7	-176.2	-40.7	0	0	0	109.1	I625 F626 K627 L640 R653 E854	N623-I625 PolarHBondContact O-N 2.94Å; N623-I625 VanDerWaalsContact O-N 3.16Å; N623-I625 PolarHBondContact OD1-N 2.97Å; N623-F626 HydrophobicContact CB-CB 4.08Å; N623-F626 PolarHBondContact O-N 2.95Å; N623-F626 VanDerWaalsContact O-N 3.11Å; N623-F626 PolarHBondContact OD1-N 3.23Å; N623-F626 VanDerWaalsContact OD1-N 3.15Å; N623-K627 PolarHBondContact O-N 3.36Å; N623-L640 HydrophobicContact CB-CD1 3.94Å; N623-R653 VanDerWaalsContact CB-O 3.27Å; N623-R653 WeakPolarHBondContact CB-O 3.36Å; N623-R653 PolarHBondContact ND2-O 3.26Å; N623-E854 PolarHBondContact ND2-OE2 3.45Å
624	F	76	Confident	79.4	Confident	22 Å²	22	34.6 Å²	34.6	10%	0.096	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-26	-171.8	-55.4	-92.3	0	0	0	114	V622 F629 F791 E792	V622-F624 HydrophobicContact CG1-CD2 4.4Å; V622-F624 HydrophobicContact CG1-CE1 4.46Å; V622-F624 HydrophobicContact CG1-CE2 3.8Å; V622-F624 HydrophobicContact CG1-CZ 3.84Å; V622-F624 HydrophobicContact CG2-CD1 4.36Å; V622-F624 HydrophobicContact CG2-CE1 4.46Å; V622-F624 HydrophobicContact CG2-CG 4.43Å; F624-F629 AromaticContact CD1-CE2 4Å; F624-F629 HydrophobicContact CD1-CE2 4Å; F624-F629 AromaticContact CE1-CE2 3.6Å; F624-F629 HydrophobicContact CE1-CE2 3.6Å; F624-F629 HydrophobicContact CE1-CZ 4.05Å; F624-F629 HydrophobicContact CZ-CE2 4.49Å; F624-F791 CarbonylContact O-C 3.58Å; F624-E792 WeakPolarHBondContact O-CA 3.42Å; F624-E792 PolarHBondContact O-N 2.82Å; F624-E792 VanDerWaalsContact O-N 3.13Å
625	I	74.8	Confident	79.7	Confident	25 Å²	25	32 Å²	32	13%	0.128	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-36.4	179.6	-59.3	171.8	0	0	0	110.4	N623 L788 G793 L803 L855	N623-I625 PolarHBondContact O-N 2.94Å; N623-I625 VanDerWaalsContact O-N 3.16Å; N623-I625 PolarHBondContact OD1-N 2.97Å; I625-L788 HydrophobicContact CD1-CB 4.08Å; I625-G793 PolarHBondContact O-N 2.87Å; I625-L803 HydrophobicContact CG2-CD1 4.43Å; I625-L855 HydrophobicContact CD1-CD1 4.22Å; I625-L855 HydrophobicContact CD1-CD2 3.69Å; I625-L855 HydrophobicContact CD1-CG 4.25Å
626	F	71.6	Confident	79.4	Confident	72 Å²	72	32.6 Å²	32.6	32%	0.316	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-44.3	-179.9	-172.6	-85.6	0	0	0	112.7	N623 L640 A650 L651	N623-F626 HydrophobicContact CB-CB 4.08Å; N623-F626 PolarHBondContact O-N 2.95Å; N623-F626 VanDerWaalsContact O-N 3.11Å; N623-F626 PolarHBondContact OD1-N 3.23Å; N623-F626 VanDerWaalsContact OD1-N 3.15Å; F626-L640 HydrophobicContact CD1-CD2 3.77Å; F626-L640 HydrophobicContact CE1-CD2 4.15Å; F626-A650 HydrophobicContact CD2-CB 4.28Å; F626-A650 HydrophobicContact CE2-CB 3.91Å; F626-L651 HydrophobicContact CD1-CD2 4.34Å; F626-L651 HydrophobicContact CE1-CD2 3.32Å; F626-L651 HydrophobicContact CE1-CG 4.08Å; F626-L651 HydrophobicContact CE2-CD2 4.49Å; F626-L651 HydrophobicContact CE2-CG 4.41Å; F626-L651 HydrophobicContact CZ-CD2 3.42Å; F626-L651 VanDerWaalsContact CZ-CD2 3.42Å; F626-L651 HydrophobicContact CZ-CG 3.64Å
627	K	71.6	Confident	78.9	Confident	65 Å²	65	37.1 Å²	37.1	28%	0.283	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-163.2	129.1	-176.7	-176.4	175.8	169.8	-165.2	0	112.2	N623 T639 L640	N623-K627 PolarHBondContact O-N 3.36Å; K627-T639 HydrophobicContact CD-CG2 3.9Å; K627-T639 HydrophobicContact CG-CG2 4.12Å; K627-T639 PolarHBondContact NZ-O 2.88Å; K627-T639 VanDerWaalsContact NZ-O 3.14Å; K627-L640 HydrophobicContact CB-CD2 4.35Å; K627-L640 HydrophobicContact CD-CD2 4.49Å
628	D	71.4	Confident	77.8	Confident	67 Å²	67	37.4 Å²	37.4	36%	0.358	21%	0.207	S	C	.	.			trans	-77.1	171.2	175.6	-164.5	14.8	0	0	0	112.2	T630 E792	D628-T630 PolarHBondContact O-N 3.09Å; D628-E792 HydrophobicContact CB-CB 4.17Å; D628-E792 WeakPolarHBondContact CB-OE2 3.48Å; D628-E792 PolarHBondContact N-OE2 2.93Å
629	F	74.2	Confident	76.7	Confident	15 Å²	15	37.6 Å²	37.6	7%	0.066	21%	0.207	C	C	.	.			trans	-69.8	123.3	-174.6	-66.2	-88.5	0	0	0	113	W398 Y501 K619 V622 F624 I632	W398-F629 AromaticContact CH2-CD1 3.79Å; W398-F629 HydrophobicContact CH2-CD1 3.79Å; W398-F629 AromaticContact CH2-CD2 3.44Å; W398-F629 HydrophobicContact CH2-CD2 3.44Å; W398-F629 VanDerWaalsContact CH2-CD2 3.44Å; W398-F629 AromaticContact CH2-CE1 3.72Å; W398-F629 HydrophobicContact CH2-CE1 3.72Å; W398-F629 AromaticContact CH2-CE2 3.38Å; W398-F629 HydrophobicContact CH2-CE2 3.38Å; W398-F629 AromaticContact CH2-CG 3.64Å; W398-F629 HydrophobicContact CH2-CG 3.64Å; W398-F629 AromaticContact CH2-CZ 3.5Å; W398-F629 HydrophobicContact CH2-CZ 3.5Å; W398-F629 VanDerWaalsContact CH2-CZ 3.5Å; W398-F629 HydrophobicContact CZ2-CD1 4.5Å; W398-F629 HydrophobicContact CZ2-CD2 4.43Å; W398-F629 HydrophobicContact CZ2-CG 4.35Å; W398-F629 AromaticContact CZ3-CD2 3.77Å; W398-F629 HydrophobicContact CZ3-CD2 3.77Å; W398-F629 HydrophobicContact CZ3-CE1 4.46Å; W398-F629 AromaticContact CZ3-CE2 3.42Å; W398-F629 HydrophobicContact CZ3-CE2 3.42Å; W398-F629 VanDerWaalsContact CZ3-CE2 3.42Å; W398-F629 HydrophobicContact CZ3-CG 4.42Å; W398-F629 AromaticContact CZ3-CZ 3.78Å; W398-F629 HydrophobicContact CZ3-CZ 3.78Å; Y501-F629 VanDerWaalsContact CB-CE1 3.48Å; Y501-F629 HydrophobicContact CD2-CD1 4.37Å; Y501-F629 HydrophobicContact CD2-CE1 4.12Å; Y501-F629 HydrophobicContact CG-CE1 4.19Å; K619-F629 WeakPolarHBondContact O-CE1 3.48Å; V622-F629 HydrophobicContact CB-CE1 4.14Å; V622-F629 HydrophobicContact CB-CZ 3.89Å; V622-F629 HydrophobicContact CG1-CZ 4.03Å; V622-F629 HydrophobicContact CG2-CE1 3.98Å; V622-F629 HydrophobicContact CG2-CE2 3.92Å; V622-F629 HydrophobicContact CG2-CZ 3.53Å; F624-F629 AromaticContact CD1-CE2 4Å; F624-F629 HydrophobicContact CD1-CE2 4Å; F624-F629 AromaticContact CE1-CE2 3.6Å; F624-F629 HydrophobicContact CE1-CE2 3.6Å; F624-F629 HydrophobicContact CE1-CZ 4.05Å; F624-F629 HydrophobicContact CZ-CE2 4.49Å; F629-I632 HydrophobicContact CB-CD1 4.04Å; F629-I632 HydrophobicContact CB-CG1 3.92Å
630	T	74.1	Confident	75.4	Confident	68 Å²	68	37.8 Å²	37.8	42%	0.417	21%	0.208	S	C	.	.			trans	-113.9	144.4	172	55.5	0	0	0	0	111.1	K619 D628 I632	K619-T630 WeakPolarHBondContact CE-O 3.39Å; K619-T630 PolarHBondContact NZ-O 3.24Å; D628-T630 PolarHBondContact O-N 3.09Å; T630-I632 PolarHBondContact O-N 3.26Å
631	A	75.6	Confident	74.1	Confident	42 Å²	42	40.8 Å²	40.8	35%	0.347	23%	0.229	S	C	.	.			trans	50.3	47.1	174.8	0	0	0	0	0	114.5	K619 D633 L634	K619-A631 PolarHBondContact NZ-O 3.04Å; A631-D633 WeakPolarHBondContact CA-OD1 3.35Å; A631-D633 PolarHBondContact O-N 3.19Å; A631-L634 HydrophobicContact CB-CD1 4.48Å; A631-L634 PolarHBondContact O-N 3.22Å
632	I	79.4	Confident	73.3	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-32.9	-177.1	-67.8	174.4	0	0	0	113.3	W398 G444 K446 Y449 Y501 F629 T630 L634	W398-I632 HydrophobicContact CZ2-CD1 3.77Å; W398-I632 HydrophobicContact CZ2-CG1 4.49Å; G444-I632 WeakPolarHBondContact O-CD1 3.31Å; K446-I632 HydrophobicContact CD-CB 4.36Å; K446-I632 HydrophobicContact CG-CD1 4.43Å; Y449-I632 HydrophobicContact CD1-CG2 4.35Å; Y501-I632 HydrophobicContact CE2-CG2 4.34Å; F629-I632 HydrophobicContact CB-CD1 4.04Å; F629-I632 HydrophobicContact CB-CG1 3.92Å; T630-I632 PolarHBondContact O-N 3.26Å; I632-L634 PolarHBondContact O-N 3.1Å
633	D	80.6	Confident	72	Confident	66 Å²	66	46.4 Å²	46.4	35%	0.353	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-12.6	172.1	44.9	-62.2	0	0	0	115.9	K446 Y449 A631 P635	K446-D633 IonicContact NZ-OD1 3.79Å; K446-D633 PolarHBondContact NZ-OD1 3.3Å; Y449-D633 HydrophobicContact CD2-CB 3.88Å; Y449-D633 HydrophobicContact CE2-CB 3.75Å; A631-D633 WeakPolarHBondContact CA-OD1 3.35Å; A631-D633 PolarHBondContact O-N 3.19Å; D633-P635 VanDerWaalsContact O-CD 3.31Å; D633-P635 WeakPolarHBondContact O-CD 3.15Å
634	L	82.7	Confident	70.3	Confident	83 Å²	83	54 Å²	54	44%	0.435	29%	0.292	S	S	.	.			trans	-111.9	80	169.4	-59.4	175.1	0	0	0	109.2	K619 A631 I632 Y636 N637	K619-L634 WeakPolarHBondContact CG-O 3.29Å; K619-L634 PolarHBondContact NZ-O 3.32Å; A631-L634 HydrophobicContact CB-CD1 4.48Å; A631-L634 PolarHBondContact O-N 3.22Å; I632-L634 PolarHBondContact O-N 3.1Å; L634-Y636 PolarHBondContact O-N 2.98Å; L634-N637 HydrophobicContact CB-CB 4.22Å; L634-N637 PolarHBondContact O-N 3.24Å
635	P	80.7	Confident	68.6	Low	20 Å²	20	54 Å²	54	13%	0.13	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.7	-167.4	26.9	-36.6	0	0	0	113.5	E402 Y501 G618 K619 D633	E402-P635 HydrophobicContact CB-CB 4.02Å; E402-P635 HydrophobicContact CB-CG 4.37Å; E402-P635 HydrophobicContact CG-CB 4.09Å; E402-P635 HydrophobicContact CG-CG 3.98Å; Y501-P635 WeakPolarHBondContact OH-CB 3.45Å; G618-P635 WeakPolarHBondContact CA-O 3.4Å; K619-P635 WeakPolarHBondContact CG-O 3.46Å; K619-P635 PolarHBondContact N-O 2.88Å; D633-P635 VanDerWaalsContact O-CD 3.31Å; D633-P635 WeakPolarHBondContact O-CD 3.15Å
636	Y	80.3	Confident	66.8	Low	77 Å²	77	64.6 Å²	64.6	30%	0.302	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-15.2	-178.2	-65.6	-69.5	0	0	0	114.1	Y404 R416 I617 G618 L634	Y404-Y636 HydrophobicContact CE2-CE1 4.49Å; R416-Y636 WeakPolarHBondContact CD-OH 3.43Å; R416-Y636 PolarHBondContact NH1-OH 2.93Å; I617-Y636 HydrophobicContact CG2-CD1 3.66Å; I617-Y636 HydrophobicContact CG2-CE1 3.83Å; G618-Y636 WeakPolarHBondContact CA-O 3.38Å; L634-Y636 PolarHBondContact O-N 2.98Å
637	N	74.8	Confident	65.2	Low	94 Å²	94	70.4 Å²	70.4	50%	0.503	36%	0.359	S	S	.	.	S	Bend	trans	-77.4	126.1	175.5	-66.6	9.3	0	0	0	109.3	K619 L634	K619-N637 WeakPolarHBondContact CD-O 3.43Å; K619-N637 WeakPolarHBondContact CE-O 3.44Å; K619-N637 VanDerWaalsContact CG-O 3.31Å; K619-N637 WeakPolarHBondContact CG-O 3.29Å; K619-N637 PolarHBondContact N-O 3.36Å; L634-N637 HydrophobicContact CB-CB 4.22Å; L634-N637 PolarHBondContact O-N 3.24Å
638	G	62.1	Low	63.7	Low	45 Å²	45	69.1 Å²	69.1	46%	0.464	36%	0.36	S	S	.	.			trans	-67.3	136.1	175.7	0	0	0	0	0	112.5
639	T	61.4	Low	62.3	Low	11 Å²	11	70.2 Å²	70.2	7%	0.067	37%	0.366	C	S	.	.	S	Bend	trans	-68	-29.9	169.5	-48.7	0	0	0	0	111.6	K619 K627	K619-T639 WeakPolarHBondContact CD-OG1 3.2Å; K627-T639 HydrophobicContact CD-CG2 3.9Å; K627-T639 HydrophobicContact CG-CG2 4.12Å; K627-T639 PolarHBondContact NZ-O 2.88Å; K627-T639 VanDerWaalsContact NZ-O 3.14Å
640	L	60.4	Low	60.9	Low	10 Å²	10	71.6 Å²	71.6	5%	0.052	38%	0.381	C	S	.	.	S	Bend	trans	-123	141.7	-178.9	-60.7	173	0	0	0	109.1	Y621 N623 F626 K627 L651	Y621-L640 HydrophobicContact CD1-CB 4.35Å; Y621-L640 HydrophobicContact CE1-CB 4.46Å; N623-L640 HydrophobicContact CB-CD1 3.94Å; F626-L640 HydrophobicContact CD1-CD2 3.77Å; F626-L640 HydrophobicContact CE1-CD2 4.15Å; K627-L640 HydrophobicContact CB-CD2 4.35Å; K627-L640 HydrophobicContact CD-CD2 4.49Å; L640-L651 HydrophobicContact CD2-CD2 4.46Å
641	C	57.6	Low	59.4	Low	68 Å²	68	71.4 Å²	71.4	46%	0.459	38%	0.376	S	S	.	.			trans	-86.8	117.8	175.8	-171.6	0	0	0	0	110.2	S643	C641-S643 VanDerWaalsContact C-N 3.3Å; C641-S643 PolarHBondContact O-N 3.01Å
642	R	67.3	Low	57.8	Low	40 Å²	40	69.4 Å²	69.4	15%	0.151	36%	0.36	C	S	.	.	S	Bend	trans	-63.9	-33.2	-177.2	-54.7	-173.9	-166.6	-160.3	-3.2	113.3	D513 F514 W616 Y621	D513-R642 VanDerWaalsContact O-CD 3.3Å; D513-R642 WeakPolarHBondContact O-CD 3.41Å; D513-R642 PolarHBondContact O-NH1 2.63Å; D513-R642 IonicContact OD2-CZ 3.42Å; D513-R642 IonicContact OD2-NH1 2.65Å; D513-R642 PolarHBondContact OD2-NH1 3.37Å; F514-R642 HydrophobicContact CE1-CB 4.1Å; F514-R642 VanDerWaalsContact CE1-O 3.23Å; F514-R642 WeakPolarHBondContact CE1-O 3.46Å; F514-R642 VanDerWaalsContact CZ-O 3.31Å; F514-R642 WeakPolarHBondContact CZ-O 3.5Å; W616-R642 PolarHBondContact O-NH1 3.49Å; W616-R642 VanDerWaalsContact O-NH1 3.12Å; W616-R642 PolarHBondContact O-NH2 3.2Å; Y621-R642 HydrophobicContact CD1-CG 4.09Å; Y621-R642 HydrophobicContact CE1-CG 4.04Å; Y621-R642 HydrophobicContact CG-CG 4.42Å
643	S	54.7	Low	56.3	Low	80 Å²	80	71.4 Å²	71.4	56%	0.559	37%	0.368	S	S	*	.	S	Bend	trans	-99	-14.2	-172.3	50.6	0	0	0	0	114.8	C641 A645 L848	C641-S643 VanDerWaalsContact C-N 3.3Å; C641-S643 PolarHBondContact O-N 3.01Å; S643-A645 PolarHBondContact O-N 3.46Å; S643-L848 VanDerWaalsContact O-CD1 3.23Å; S643-L848 WeakPolarHBondContact O-CD1 3.28Å
644	Y	45.5	Very low	54.6	Low	164 Å²	164	68.3 Å²	68.3	64%	0.643	35%	0.351	S	S	*	.			trans	-94.9	61.4	-170.9	-148.6	-94.6	0	0	0	113.3
645	A	40	Very low	52.8	Low	20 Å²	20	64.4 Å²	64.4	17%	0.165	33%	0.331	C	S	.	.			trans	-101.2	-7	-178.3	0	0	0	0	0	115.6	S643 K647 A648 A652 L848	S643-A645 PolarHBondContact O-N 3.46Å; A645-K647 VanDerWaalsContact C-N 3.25Å; A645-K647 PolarHBondContact O-N 3.46Å; A645-K647 VanDerWaalsContact O-N 3.08Å; A645-A648 PolarHBondContact O-N 3.06Å; A645-A652 HydrophobicContact CB-CB 4.45Å; A645-L848 HydrophobicContact CB-CD1 3.96Å
646	R	37.4	Very low	51.5	Low	248 Å²	248	63.4 Å²	63.4	94%	0.936	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.7	-172.3	-76.5	-167.6	-175.5	-179	3.2	116.6
647	K	38.2	Very low	49.7	Very low	195 Å²	195	59.9 Å²	59.9	85%	0.848	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-0.2	-179.3	-75.7	-171.2	175	-177.7	0	115.4	A645	A645-K647 VanDerWaalsContact C-N 3.25Å; A645-K647 PolarHBondContact O-N 3.46Å; A645-K647 VanDerWaalsContact O-N 3.08Å
648	A	39	Very low	48.1	Very low	37 Å²	37	55.4 Å²	55.4	31%	0.306	29%	0.287	S	S	.	.			trans	-151	115.6	175.4	0	0	0	0	0	111.3	A645 A650 L651	A645-A648 PolarHBondContact O-N 3.06Å; A648-A650 PolarHBondContact O-N 3.34Å; A648-L651 HydrophobicContact CB-CB 4.43Å; A648-L651 HydrophobicContact CB-CD1 3.91Å; A648-L651 HydrophobicContact CB-CG 4.36Å; A648-L651 PolarHBondContact O-N 3.32Å
649	N	42.6	Very low	47.5	Very low	91 Å²	91	53.2 Å²	53.2	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	15	-177.5	-78.2	-29.7	0	0	0	115.9	R653 K850	N649-R653 PolarHBondContact O-NH2 3.11Å; N649-K850 WeakPolarHBondContact OD1-CE 3.44Å; N649-K850 PolarHBondContact OD1-NZ 3.06Å
650	A	44.9	Very low	46.7	Very low	44 Å²	44	52.8 Å²	52.8	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	-15.3	-169.6	0	0	0	0	0	115.4	F626 A648 A652	F626-A650 HydrophobicContact CD2-CB 4.28Å; F626-A650 HydrophobicContact CE2-CB 3.91Å; A648-A650 PolarHBondContact O-N 3.34Å; A650-A652 PolarHBondContact O-N 3.15Å
651	L	43.5	Very low	45.3	Very low	63 Å²	63	52.5 Å²	52.5	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9.1	-159.3	-106.7	170	0	0	0	117	F626 L640 A648	F626-L651 HydrophobicContact CD1-CD2 4.34Å; F626-L651 HydrophobicContact CE1-CD2 3.32Å; F626-L651 HydrophobicContact CE1-CG 4.08Å; F626-L651 HydrophobicContact CE2-CD2 4.49Å; F626-L651 HydrophobicContact CE2-CG 4.41Å; F626-L651 HydrophobicContact CZ-CD2 3.42Å; F626-L651 VanDerWaalsContact CZ-CD2 3.42Å; F626-L651 HydrophobicContact CZ-CG 3.64Å; L640-L651 HydrophobicContact CD2-CD2 4.46Å; A648-L651 HydrophobicContact CB-CB 4.43Å; A648-L651 HydrophobicContact CB-CD1 3.91Å; A648-L651 HydrophobicContact CB-CG 4.36Å; A648-L651 PolarHBondContact O-N 3.32Å
652	A	41	Very low	44.3	Very low	1 Å²	1	49.3 Å²	49.3	1%	0.008	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	38.8	-172.2	0	0	0	0	0	113.5	Y621 A645 A650 L847	Y621-A652 PolarHBondContact OH-O 3.05Å; A645-A652 HydrophobicContact CB-CB 4.45Å; A650-A652 PolarHBondContact O-N 3.15Å; A652-L847 HydrophobicContact CB-CD1 4.17Å; A652-L847 HydrophobicContact CB-CD2 4Å; A652-L847 WeakPolarHBondContact O-CD1 3.38Å; A652-L847 WeakPolarHBondContact O-CD2 3.41Å
653	R	47.1	Very low	42.6	Very low	43 Å²	43	47.4 Å²	47.4	16%	0.162	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-94.9	122	167.8	-58.4	-179.3	-166.5	-174.6	9.7	108.5	N623 N649 T853	N623-R653 VanDerWaalsContact CB-O 3.27Å; N623-R653 WeakPolarHBondContact CB-O 3.36Å; N623-R653 PolarHBondContact ND2-O 3.26Å; N649-R653 PolarHBondContact O-NH2 3.11Å; R653-T853 WeakPolarHBondContact CD-O 3.42Å; R653-T853 PolarHBondContact NH1-O 2.67Å
654	Y	45.4	Very low	42	Very low	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-74.1	136.8	166.8	-174.6	-93.2	0	0	0	109.7	G502 L511 W616 D620 Y621 V622 H656	G502-Y654 WeakPolarHBondContact CA-OH 3.45Å; L511-Y654 WeakPolarHBondContact O-CB 3.27Å; L511-Y654 PolarHBondContact O-N 2.97Å; W616-Y654 AromaticContact CD1-CE2 3.69Å; W616-Y654 AromaticContact CD1-CZ 3.49Å; W616-Y654 VanDerWaalsContact CD1-CZ 3.49Å; W616-Y654 HydrophobicContact CD2-CE1 4.48Å; W616-Y654 HydrophobicContact CD2-CE2 4.28Å; W616-Y654 AromaticContact CE2-CE1 3.86Å; W616-Y654 AromaticContact CE2-CZ 3.74Å; W616-Y654 AromaticContact CG-CE2 3.93Å; W616-Y654 HydrophobicContact CG-CE2 3.93Å; W616-Y654 HydrophobicContact CZ2-CE1 4.04Å; W616-Y654 AromaticContact NE1-CE1 3.84Å; W616-Y654 AromaticContact NE1-CE2 3.99Å; W616-Y654 AromaticContact NE1-CZ 3.33Å; W616-Y654 VanDerWaalsContact NE1-CZ 3.33Å; W616-Y654 PolarHBondContact NE1-OH 3.05Å; D620-Y654 WeakPolarHBondContact O-CE2 3.41Å; Y621-Y654 AromaticContact CD2-CD2 3.57Å; Y621-Y654 HydrophobicContact CD2-CD2 3.57Å; Y621-Y654 HydrophobicContact CD2-CE2 4.38Å; Y621-Y654 HydrophobicContact CD2-CG 4.26Å; Y621-Y654 AromaticContact CE2-CD2 3.82Å; Y621-Y654 HydrophobicContact CE2-CD2 3.82Å; Y621-Y654 HydrophobicContact CE2-CG 4.07Å; Y621-Y654 AromaticContact CG-CD2 3.95Å; Y621-Y654 HydrophobicContact CG-CD2 3.95Å; Y621-Y654 PolarHBondContact OH-N 3.46Å; V622-Y654 HydrophobicContact CG1-CE2 4.17Å; V622-Y654 VanDerWaalsContact N-CE2 3.31Å; V622-Y654 WeakPolarHBondContact O-CD2 3.49Å; Y654-H656 AromaticContact CD1-CE1 3.19Å; Y654-H656 WeakPolarHBondContact CD1-CE1 3.29Å; Y654-H656 AromaticContact CD1-ND1 3.52Å; Y654-H656 AromaticContact CD1-NE2 3.52Å; Y654-H656 AromaticContact CE1-CE1 3.45Å; Y654-H656 VanDerWaalsContact CE1-CE1 3.45Å; Y654-H656 WeakPolarHBondContact CE1-CE1 3.31Å; Y654-H656 AromaticContact CE1-ND1 3.37Å; Y654-H656 WeakPolarHBondContact CE1-ND1 3.38Å
655	S	46.1	Very low	41.6	Very low	1 Å²	1	37.7 Å²	37.7	1%	0.007	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-99.9	118.4	173.9	-175	0	0	0	0	109.9	V622	V622-S655 PolarHBondContact O-N 3.39Å
656	H	53.1	Low	41.4	Very low	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	151.8	178.2	-71.5	-60.9	0	0	0	112.9	D505 H509 R510 L511 W616 Y654 I856 Y857	D505-H656 IonicContact OD1-CE1 2.85Å; D505-H656 IonicContact OD1-ND1 3.77Å; D505-H656 PolarHBondContact OD1-ND1 3.07Å; D505-H656 VanDerWaalsContact OD2-CB 3.24Å; D505-H656 WeakPolarHBondContact OD2-CB 3.47Å; D505-H656 IonicContact OD2-CG 2.73Å; D505-H656 IonicContact OD2-ND1 2.71Å; D505-H656 PolarHBondContact OD2-ND1 2.96Å; H509-H656 HydrophobicContact CB-CB 4.13Å; H509-H656 PolarHBondContact O-CD2 2.79Å; H509-H656 PolarHBondContact O-NE2 2.87Å; R510-H656 VanDerWaalsContact C-CE1 3.44Å; R510-H656 PolarHBondContact N-CE1 3.34Å; R510-H656 PolarHBondContact N-NE2 3.1Å; R510-H656 PolarHBondContact O-CE1 2.77Å; R510-H656 PolarHBondContact O-NE2 2.83Å; L511-H656 PolarHBondContact N-NE2 2.85Å; W616-H656 AromaticContact CH2-CE1 3.99Å; W616-H656 AromaticContact CZ2-CE1 3.97Å; Y654-H656 AromaticContact CD1-CE1 3.19Å; Y654-H656 WeakPolarHBondContact CD1-CE1 3.29Å; Y654-H656 AromaticContact CD1-ND1 3.52Å; Y654-H656 AromaticContact CD1-NE2 3.52Å; Y654-H656 AromaticContact CE1-CE1 3.45Å; Y654-H656 VanDerWaalsContact CE1-CE1 3.45Å; Y654-H656 WeakPolarHBondContact CE1-CE1 3.31Å; Y654-H656 AromaticContact CE1-ND1 3.37Å; Y654-H656 WeakPolarHBondContact CE1-ND1 3.38Å; H656-I856 HydrophobicContact CB-CG1 4.42Å; H656-I856 HydrophobicContact CB-CG2 4.24Å; H656-Y857 WeakPolarHBondContact O-CA 3.35Å; H656-Y857 WeakPolarHBondContact O-CB 3.45Å; H656-Y857 PolarHBondContact O-N 2.84Å
657	C	42.4	Very low	41	Very low	2 Å²	2	27.6 Å²	27.6	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	91.4	172.4	-92.5	0	0	0	0	108.8	G502 Q659 Y857	G502-C657 WeakPolarHBondContact O-CB 3.32Å; C657-Q659 HydrophobicContact CB-CG 4.14Å; C657-Q659 PolarHBondContact O-N 3.39Å; C657-Y857 CarbonylContact C-O 3.58Å; C657-Y857 WeakPolarHBondContact CA-O 3.48Å
658	C	40.8	Very low	40.7	Very low	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	120.4	166	-177.4	0	0	0	0	108	D373 I856 Y857 H859 S860	D373-C658 PolarHBondContact OD1-SG 3.09Å; C658-I856 HydrophobicContact CB-CG2 3.56Å; C658-Y857 PolarHBondContact N-O 3.09Å; C658-H859 PolarHBondContact O-N 3.1Å; C658-S860 PolarHBondContact O-N 2.8Å
659	Q	49.5	Very low	40.4	Very low	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.			trans	-142.9	161.7	-173	-65.8	-177.6	12.3	0	0	110.7	D373 G496 I497 C657 H859	D373-Q659 WeakPolarHBondContact CA-O 3.31Å; D373-Q659 PolarHBondContact N-O 2.54Å; G496-Q659 PolarHBondContact O-OE1 2.89Å; I497-Q659 HydrophobicContact CD1-CB 3.93Å; I497-Q659 HydrophobicContact CG1-CB 3.69Å; C657-Q659 HydrophobicContact CB-CG 4.14Å; C657-Q659 PolarHBondContact O-N 3.39Å; Q659-H859 HydrophobicContact CG-CB 3.62Å; Q659-H859 PolarHBondContact NE2-ND1 2.78Å; Q659-H859 VanDerWaalsContact NE2-ND1 3.16Å
660	R	44.4	Very low	40	Very low	2 Å²	2	23.3 Å²	23.3	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.7	-176.7	-67	168.2	-175.9	167.2	0.3	110.4	F371 G496 Y742 E744 S860	F371-R660 WeakPolarHBondContact O-CA 3.38Å; G496-R660 PolarHBondContact N-O 2.63Å; R660-Y742 PolarHBondContact NH2-OH 3.28Å; R660-E744 IonicContact CZ-OE1 3.25Å; R660-E744 IonicContact CZ-OE2 3.57Å; R660-E744 IonicContact NE-OE2 3.12Å; R660-E744 PolarHBondContact NE-OE2 3.26Å; R660-E744 VanDerWaalsContact NH1-CB 3.35Å; R660-E744 VanDerWaalsContact NH1-CD 3.33Å; R660-E744 IonicContact NH1-OE1 3.04Å; R660-E744 IonicContact NH1-OE2 2.7Å; R660-E744 PolarHBondContact NH1-OE2 3.47Å; R660-E744 IonicContact NH2-OE1 2.69Å; R660-E744 PolarHBondContact NH2-OE1 3.01Å; R660-E744 IonicContact NH2-OE2 3.55Å; R660-E744 PolarHBondContact NH2-OE2 3.38Å; R660-S860 WeakPolarHBondContact CD-OG 3.2Å; R660-S860 WeakPolarHBondContact CG-OG 3.24Å; R660-S860 PolarHBondContact NE-OG 3.4Å
661	C	31.6	Very low	39.4	Very low	4 Å²	4	23 Å²	23	3%	0.027	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	164.7	175.5	-162.3	0	0	0	0	109.6	F371 F377 V494 I497	F371-C661 HydrophobicContact CB-CB 4.33Å; F371-C661 HydrophobicContact CD2-CB 4.15Å; F371-C661 PolarHBondContact N-O 2.95Å; F371-C661 PolarHBondContact O-N 2.83Å; F377-C661 HydrophobicContact CB-CB 4.2Å; F377-C661 HydrophobicContact CD1-CB 4.49Å; F377-C661 HydrophobicContact CD2-CB 3.76Å; F377-C661 WeakPolarHBondContact CD2-SG 3.42Å; F377-C661 HydrophobicContact CE2-CB 4.28Å; F377-C661 WeakPolarHBondContact CE2-SG 3.43Å; F377-C661 HydrophobicContact CG-CB 3.87Å; V494-C661 PolarHBondContact O-SG 3.04Å; I497-C661 HydrophobicContact CD1-CB 3.79Å; I497-C661 HydrophobicContact CG1-CB 4Å
662	F	35.1	Very low	39.3	Very low	1 Å²	1	21.4 Å²	21.4	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.2	179.3	179	-91.1	0	0	0	109.4	M369 F493 V494 L664 L706 V872 V892 V894 F914	M369-F662 CarbonylContact O-C 3.58Å; M369-F662 WeakPolarHBondContact O-CA 3.34Å; M369-F662 VanDerWaalsContact O-CD2 3.28Å; M369-F662 WeakPolarHBondContact O-CD2 3.33Å; F493-F662 CarbonylContact C-O 3.55Å; F493-F662 WeakPolarHBondContact CA-O 3.48Å; V494-F662 PolarHBondContact N-O 2.87Å; V494-F662 PolarHBondContact O-N 3.23Å; F662-L664 HydrophobicContact CD1-CD2 4.42Å; F662-L664 HydrophobicContact CD1-CG 3.98Å; F662-L664 HydrophobicContact CE1-CB 4.34Å; F662-L664 HydrophobicContact CE1-CD2 3.62Å; F662-L664 HydrophobicContact CE1-CG 3.62Å; F662-L706 HydrophobicContact CE1-CD1 4.48Å; F662-L706 HydrophobicContact CZ-CD1 4.34Å; F662-L706 HydrophobicContact CZ-CD2 4.3Å; F662-V872 HydrophobicContact CB-CG1 3.58Å; F662-V872 HydrophobicContact CB-CG2 4.3Å; F662-V872 HydrophobicContact CD2-CG1 4.16Å; F662-V872 HydrophobicContact CG-CG1 3.91Å; F662-V892 HydrophobicContact CD1-CG1 3.73Å; F662-V892 HydrophobicContact CE1-CG1 4.01Å; F662-V892 HydrophobicContact CG-CG1 4.19Å; F662-V894 HydrophobicContact CD2-CG2 4.15Å; F662-V894 HydrophobicContact CE1-CG2 4.48Å; F662-V894 HydrophobicContact CE2-CG2 3.41Å; F662-V894 VanDerWaalsContact CE2-CG2 3.41Å; F662-V894 HydrophobicContact CZ-CG2 3.59Å; F662-F914 AromaticContact CD2-CE2 3.98Å; F662-F914 HydrophobicContact CD2-CE2 3.98Å; F662-F914 AromaticContact CD2-CZ 3.57Å; F662-F914 HydrophobicContact CD2-CZ 3.57Å; F662-F914 HydrophobicContact CE2-CD2 4.46Å; F662-F914 HydrophobicContact CE2-CE1 4.24Å; F662-F914 AromaticContact CE2-CE2 3.42Å; F662-F914 HydrophobicContact CE2-CE2 3.42Å; F662-F914 VanDerWaalsContact CE2-CE2 3.42Å; F662-F914 AromaticContact CE2-CZ 3.3Å; F662-F914 HydrophobicContact CE2-CZ 3.3Å
663	A	33	Very low	39.1	Very low	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.4	165.5	0	0	0	0	0	110	M369 F371 F493 F665	M369-A663 HydrophobicContact CB-CB 4.44Å; M369-A663 PolarHBondContact N-O 3.11Å; M369-A663 PolarHBondContact O-N 2.76Å; F371-A663 HydrophobicContact CE2-CB 3.62Å; F371-A663 HydrophobicContact CZ-CB 4.01Å; F493-A663 HydrophobicContact CD1-CB 3.94Å; F493-A663 HydrophobicContact CE1-CB 3.87Å; F493-A663 HydrophobicContact CZ-CB 4.4Å; A663-F665 HydrophobicContact CB-CD2 4.01Å; A663-F665 HydrophobicContact CB-CE2 3.46Å; A663-F665 VanDerWaalsContact CB-CE2 3.46Å; A663-F665 HydrophobicContact CB-CZ 3.99Å
664	L	40.6	Very low	38.4	Very low	12 Å²	12	21.5 Å²	21.5	6%	0.063	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120.4	158.8	-71.6	159.5	0	0	0	108.3	A492 V494 F662 I670 L706 V892	A492-L664 HydrophobicContact CB-CB 4.17Å; A492-L664 HydrophobicContact CB-CD1 4.07Å; A492-L664 PolarHBondContact N-O 3.25Å; A492-L664 VanDerWaalsContact N-O 3.08Å; A492-L664 WeakPolarHBondContact O-CB 3.47Å; A492-L664 PolarHBondContact O-N 3.37Å; V494-L664 HydrophobicContact CG2-CD1 4.12Å; F662-L664 HydrophobicContact CD1-CD2 4.42Å; F662-L664 HydrophobicContact CD1-CG 3.98Å; F662-L664 HydrophobicContact CE1-CB 4.34Å; F662-L664 HydrophobicContact CE1-CD2 3.62Å; F662-L664 HydrophobicContact CE1-CG 3.62Å; L664-I670 HydrophobicContact CB-CD1 3.53Å; L664-I670 HydrophobicContact CB-CG1 4.13Å; L664-I670 VanDerWaalsContact O-CD1 3.25Å; L664-I670 WeakPolarHBondContact O-CD1 3.29Å; L664-L706 HydrophobicContact CD2-CB 4.42Å; L664-L706 HydrophobicContact CD2-CD1 3.38Å; L664-L706 HydrophobicContact CD2-CG 4.47Å; L664-V892 HydrophobicContact CD2-CG2 4.37Å
665	F	37.2	Very low	38.1	Very low	27 Å²	27	23.4 Å²	23.4	12%	0.118	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115	165.6	-66.4	-85.3	0	0	0	109	Y367 M369 M384 I491 A663 F697	Y367-F665 WeakPolarHBondContact CA-O 3.45Å; Y367-F665 WeakPolarHBondContact CB-O 3.18Å; Y367-F665 PolarHBondContact N-O 2.85Å; Y367-F665 PolarHBondContact O-N 2.83Å; Y367-F665 VanDerWaalsContact O-O 3.13Å; M369-F665 HydrophobicContact CB-CD2 4.37Å; M369-F665 HydrophobicContact CB-CE2 4.01Å; M369-F665 HydrophobicContact CE-CE2 3.66Å; M369-F665 HydrophobicContact CE-CZ 3.94Å; M384-F665 HydrophobicContact SD-CE1 4.14Å; I491-F665 HydrophobicContact CD1-CD1 4.08Å; I491-F665 HydrophobicContact CD1-CE1 4.01Å; I491-F665 HydrophobicContact CG1-CD1 4.05Å; I491-F665 HydrophobicContact CG1-CE1 4.37Å; I491-F665 HydrophobicContact CG2-CD1 3.99Å; I491-F665 HydrophobicContact CG2-CE1 3.87Å; A663-F665 HydrophobicContact CB-CD2 4.01Å; A663-F665 HydrophobicContact CB-CE2 3.46Å; A663-F665 VanDerWaalsContact CB-CE2 3.46Å; A663-F665 HydrophobicContact CB-CZ 3.99Å; F665-F697 HydrophobicContact CD1-CE1 4.27Å; F665-F697 HydrophobicContact CD1-CZ 4.29Å; F665-F697 AromaticContact CE1-CE1 3.62Å; F665-F697 HydrophobicContact CE1-CE1 3.62Å; F665-F697 AromaticContact CE1-CZ 3.95Å; F665-F697 HydrophobicContact CE1-CZ 3.95Å; F665-F697 HydrophobicContact CZ-CE1 4.12Å
666	D	35.8	Very low	37.6	Very low	13 Å²	13	24.7 Å²	24.7	7%	0.07	12%	0.123	C	C	.	.			trans	-147.8	97.5	177.1	-167.9	-37.7	0	0	0	108.3	S366 K668 N669 I670	S366-D666 WeakPolarHBondContact CB-OD2 3.24Å; S366-D666 PolarHBondContact OG-OD2 3.07Å; D666-K668 PolarHBondContact O-N 2.98Å; D666-K668 WeakPolarHBondContact OD1-CA 3.39Å; D666-K668 PolarHBondContact OD1-N 2.78Å; D666-N669 PolarHBondContact OD1-N 3.47Å; D666-I670 HydrophobicContact CB-CB 4.45Å; D666-I670 HydrophobicContact CB-CD1 3.5Å; D666-I670 HydrophobicContact CB-CG1 3.69Å
667	S	30.4	Very low	36.6	Very low	44 Å²	44	25 Å²	25	31%	0.308	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	4.3	179.4	56.9	0	0	0	0	113.9
668	K	32.2	Very low	36.3	Very low	143 Å²	143	28 Å²	28	62%	0.622	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.2	-33.2	175.9	-70.9	-176.2	175.8	177	0	114.9	D666 R671	D666-K668 PolarHBondContact O-N 2.98Å; D666-K668 WeakPolarHBondContact OD1-CA 3.39Å; D666-K668 PolarHBondContact OD1-N 2.78Å; K668-R671 PolarHBondContact O-NH1 2.9Å
669	N	31.8	Very low	36	Very low	80 Å²	80	28.9 Å²	28.9	43%	0.428	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140	15	-161.3	-67	-57.4	0	0	0	119.7	D666 R671	D666-N669 PolarHBondContact OD1-N 3.47Å; N669-R671 PolarHBondContact O-N 2.87Å; N669-R671 VanDerWaalsContact O-N 3.13Å
670	I	33.6	Very low	35	Very low	10 Å²	10	31.6 Å²	31.6	5%	0.051	17%	0.166	C	C	.	.			trans	-72.3	2.5	174.1	-85.9	157.1	0	0	0	114.8	V486 Q489 N490 A492 L664 D666 E672	V486-I670 HydrophobicContact CG1-CG2 4.21Å; Q489-I670 CarbonylContact O-C 3.29Å; N490-I670 WeakPolarHBondContact O-CD1 3.44Å; A492-I670 HydrophobicContact CB-CG2 3.78Å; L664-I670 HydrophobicContact CB-CD1 3.53Å; L664-I670 HydrophobicContact CB-CG1 4.13Å; L664-I670 VanDerWaalsContact O-CD1 3.25Å; L664-I670 WeakPolarHBondContact O-CD1 3.29Å; D666-I670 HydrophobicContact CB-CB 4.45Å; D666-I670 HydrophobicContact CB-CD1 3.5Å; D666-I670 HydrophobicContact CB-CG1 3.69Å; I670-E672 VanDerWaalsContact C-N 3.26Å; I670-E672 PolarHBondContact O-N 2.71Å
671	R	33	Very low	34.5	Very low	36 Å²	36	35.4 Å²	35.4	14%	0.136	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-2.2	-165.2	-71.8	-177.9	176.5	127.4	14.3	119.1	Q489 N490 K668 N669 R675 M686 S687 R688	Q489-R671 HydrophobicContact CB-CG 4.15Å; Q489-R671 WeakPolarHBondContact O-CG 3.18Å; Q489-R671 PolarHBondContact O-N 3.36Å; Q489-R671 PolarHBondContact OE1-O 2.85Å; N490-R671 PolarHBondContact OD1-NH2 2.91Å; K668-R671 PolarHBondContact O-NH1 2.9Å; N669-R671 PolarHBondContact O-N 2.87Å; N669-R671 VanDerWaalsContact O-N 3.13Å; R671-R675 PolarHBondContact O-NE 3.12Å; R671-R675 VanDerWaalsContact O-NE 3.14Å; R671-R675 PolarHBondContact O-NH2 3.48Å; R671-M686 VanDerWaalsContact CD-O 3.32Å; R671-M686 WeakPolarHBondContact CD-O 3.42Å; R671-M686 PolarHBondContact NE-O 3.01Å; R671-S687 VanDerWaalsContact CZ-CB 3.45Å; R671-S687 PolarHBondContact NH1-OG 3.48Å; R671-S687 VanDerWaalsContact NH1-OG 3.16Å; R671-R688 VanDerWaalsContact NH2-N 3.15Å; R671-R688 PolarHBondContact NH2-O 3.02Å
672	E	40.9	Very low	34.5	Very low	30 Å²	30	37.4 Å²	37.4	14%	0.14	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-5.7	-160.1	-63	-177.6	132.1	0	0	114.7	T276 F350 R363 I670	T276-E672 PolarHBondContact OG1-OE1 3.23Å; F350-E672 VanDerWaalsContact CE1-OE2 3.25Å; F350-E672 WeakPolarHBondContact CE1-OE2 3.48Å; F350-E672 VanDerWaalsContact CZ-CD 3.42Å; F350-E672 VanDerWaalsContact CZ-OE1 3.32Å; F350-E672 WeakPolarHBondContact CZ-OE1 3.31Å; F350-E672 WeakPolarHBondContact CZ-OE2 3.46Å; R363-E672 IonicContact CZ-OE2 3.58Å; R363-E672 IonicContact NH1-OE2 3.6Å; R363-E672 IonicContact NH2-OE2 2.78Å; R363-E672 PolarHBondContact NH2-OE2 3.39Å; I670-E672 VanDerWaalsContact C-N 3.26Å; I670-E672 PolarHBondContact O-N 2.71Å
673	N	37.5	Very low	34.4	Very low	28 Å²	28	38.1 Å²	38.1	15%	0.15	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-11.9	-170.3	-65.1	-13.5	0	0	0	115	Y360 R675 L708	Y360-N673 WeakPolarHBondContact CD1-OD1 3.4Å; Y360-N673 VanDerWaalsContact CE1-OD1 3.32Å; Y360-N673 WeakPolarHBondContact CE1-OD1 3.45Å; N673-R675 PolarHBondContact O-N 3.27Å; N673-L708 HydrophobicContact CB-CD2 4.14Å; N673-L708 VanDerWaalsContact CG-CD2 3.45Å; N673-L708 WeakPolarHBondContact ND2-CD2 3.3Å
674	S	32.7	Very low	34.2	Very low	18 Å²	18	38.7 Å²	38.7	13%	0.126	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.1	173.2	57.1	0	0	0	0	114
675	R	37.8	Very low	33.9	Very low	41 Å²	41	40.7 Å²	40.7	16%	0.155	21%	0.207	C	C	.	.			trans	-94.8	5	-160.8	-57.7	-178.1	-178.6	179.7	0.5	115.5	L293 R671 N673	L293-R675 HydrophobicContact CD1-CB 4.07Å; R671-R675 PolarHBondContact O-NE 3.12Å; R671-R675 VanDerWaalsContact O-NE 3.14Å; R671-R675 PolarHBondContact O-NH2 3.48Å; N673-R675 PolarHBondContact O-N 3.27Å
676	T	36.5	Very low	33.5	Very low	28 Å²	28	40.7 Å²	40.7	17%	0.172	21%	0.207	C	C	.	.			trans	-93.9	-22.1	-160.4	49.3	0	0	0	0	116.6	Y360 R710 V717	Y360-T676 WeakPolarHBondContact OH-CG2 3.49Å; T676-R710 VanDerWaalsContact CG2-NH1 3.34Å; T676-V717 WeakPolarHBondContact O-CA 3.26Å; T676-V717 WeakPolarHBondContact O-CB 3.26Å; T676-V717 VanDerWaalsContact O-CG1 3.24Å; T676-V717 WeakPolarHBondContact O-CG1 3.19Å
677	S	32.5	Very low	33.1	Very low	7 Å²	7	41 Å²	41	5%	0.049	21%	0.21	C	C	.	.	S	Bend	trans	-90.6	172.6	-178.4	57.2	0	0	0	0	112.1	L434 V679 S680	L434-S677 VanDerWaalsContact CD2-CB 3.43Å; S677-V679 PolarHBondContact O-N 3.31Å; S677-V679 WeakPolarHBondContact OG-CG2 3.32Å; S677-S680 PolarHBondContact O-N 2.84Å; S677-S680 PolarHBondContact O-OG 2.81Å
678	N	36.3	Very low	33	Very low	64 Å²	64	41.9 Å²	41.9	34%	0.342	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	9.4	173.1	-81.2	-50.3	0	0	0	115	H466 S680	H466-N678 PolarHBondContact NE2-ND2 3.38Å; N678-S680 VanDerWaalsContact C-N 3.34Å
679	V	33	Very low	32.8	Very low	18 Å²	18	39.6 Å²	39.6	11%	0.109	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.5	167.7	-169.7	0	0	0	0	112.2	L434 L464 S677 R681 I683	L434-V679 HydrophobicContact CB-CG2 4.33Å; L434-V679 HydrophobicContact CD1-CG2 4.04Å; L464-V679 HydrophobicContact CD1-CB 4.26Å; L464-V679 HydrophobicContact CD1-CG1 4.09Å; L464-V679 HydrophobicContact CD1-CG2 3.77Å; S677-V679 PolarHBondContact O-N 3.31Å; S677-V679 WeakPolarHBondContact OG-CG2 3.32Å; V679-R681 PolarHBondContact O-N 2.82Å; V679-I683 HydrophobicContact CG1-CD1 3.99Å
680	S	30.4	Very low	32.6	Very low	58 Å²	58	38.5 Å²	38.5	41%	0.406	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	15.2	177.2	38.3	0	0	0	0	116.2	S677 N678	S677-S680 PolarHBondContact O-N 2.84Å; S677-S680 PolarHBondContact O-OG 2.81Å; N678-S680 VanDerWaalsContact C-N 3.34Å
681	R	33.2	Very low	32.3	Very low	81 Å²	81	44 Å²	44	31%	0.306	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-22.6	175.8	-154	173.4	-73.6	102.3	-2.6	112.9	V679	V679-R681 PolarHBondContact O-N 2.82Å
682	H	31.6	Very low	31.9	Very low	47 Å²	47	47.3 Å²	47.3	22%	0.218	26%	0.263	C	S	.	.	S	Bend	trans	-154.2	12	-170	-59.6	109	0	0	0	118.5	F8 Y12 A684	F8-H682 PolarHBondContact O-CE1 3.44Å; Y12-H682 HydrophobicContact CD1-CB 4.1Å; Y12-H682 HydrophobicContact CD2-CB 3.97Å; Y12-H682 AromaticContact CD2-CD2 3.49Å; Y12-H682 VanDerWaalsContact CD2-CD2 3.49Å; Y12-H682 WeakPolarHBondContact CD2-CD2 3.42Å; Y12-H682 AromaticContact CD2-CE1 3.39Å; Y12-H682 WeakPolarHBondContact CD2-CE1 3.47Å; Y12-H682 AromaticContact CD2-CG 3.4Å; Y12-H682 AromaticContact CD2-ND1 3.35Å; Y12-H682 WeakPolarHBondContact CD2-ND1 3.34Å; Y12-H682 AromaticContact CD2-NE2 3.53Å; Y12-H682 HydrophobicContact CE1-CB 3.5Å; Y12-H682 HydrophobicContact CE2-CB 3.38Å; Y12-H682 AromaticContact CE2-CD2 3.8Å; Y12-H682 AromaticContact CE2-CE1 3.56Å; Y12-H682 AromaticContact CE2-CG 3.17Å; Y12-H682 AromaticContact CE2-ND1 3.02Å; Y12-H682 WeakPolarHBondContact CE2-ND1 3.19Å; Y12-H682 HydrophobicContact CG-CB 4.33Å; Y12-H682 AromaticContact CG-CD2 3.81Å; Y12-H682 AromaticContact CG-CG 3.99Å; Y12-H682 AromaticContact CZ-CG 3.53Å; Y12-H682 AromaticContact CZ-ND1 3.79Å; Y12-H682 VanDerWaalsContact OH-CB 3.29Å; Y12-H682 WeakPolarHBondContact OH-CB 3.45Å; H682-A684 PolarHBondContact O-N 2.86Å
683	I	33.7	Very low	31.3	Very low	16 Å²	16	50.7 Å²	50.7	8%	0.082	28%	0.281	C	S	.	.			trans	-93.4	99.9	179.1	-58.6	162.7	0	0	0	110.1	F393 V679	F393-I683 HydrophobicContact CD1-CD1 3.97Å; F393-I683 HydrophobicContact CE1-CD1 3.3Å; F393-I683 HydrophobicContact CE1-CG1 3.7Å; F393-I683 HydrophobicContact CE1-CG2 4.26Å; F393-I683 HydrophobicContact CZ-CD1 3.96Å; F393-I683 HydrophobicContact CZ-CG1 4.04Å; F393-I683 HydrophobicContact CZ-CG2 3.77Å; V679-I683 HydrophobicContact CG1-CD1 3.99Å
684	A	27.6	Very low	30.9	Very low	12 Å²	12	52.4 Å²	52.4	10%	0.099	29%	0.294	C	S	.	.			trans	-149	64.9	168.7	0	0	0	0	0	110.2	L233 V291 H682	L233-A684 WeakPolarHBondContact CD2-O 3.47Å; V291-A684 HydrophobicContact CG1-CB 4.46Å; V291-A684 HydrophobicContact CG2-CB 3.58Å; H682-A684 PolarHBondContact O-N 2.86Å
685	Q	33.8	Very low	30.5	Very low	54 Å²	54	57.1 Å²	57.1	25%	0.252	33%	0.327	S	S	.	.			trans	-139.4	163.5	161.9	-63.4	-175.1	1.3	0	0	104.4	Y20 Q489	Y20-Q685 PolarHBondContact OH-OE1 2.77Å; Q489-Q685 PolarHBondContact NE2-O 2.77Å; Q489-Q685 PolarHBondContact OE1-O 2.8Å
686	M	30	Very low	30	Very low	27 Å²	27	63.5 Å²	63.5	13%	0.133	36%	0.356	C	S	.	.			cis	-142	173.5	-20.3	-133.6	-85.4	-139.3	0	0	109.6	Y20 V230 G232 E390 R671	Y20-M686 HydrophobicContact CE1-CE 4.31Å; Y20-M686 WeakPolarHBondContact OH-CG 3.47Å; V230-M686 HydrophobicContact CG1-CE 3.83Å; V230-M686 HydrophobicContact CG1-CG 4.37Å; V230-M686 HydrophobicContact CG1-SD 3.67Å; G232-M686 CarbonylContact O-C 3.56Å; G232-M686 WeakPolarHBondContact O-CA 3.25Å; E390-M686 VanDerWaalsContact OE2-CB 3.26Å; E390-M686 WeakPolarHBondContact OE2-CB 3.37Å; R671-M686 VanDerWaalsContact CD-O 3.32Å; R671-M686 WeakPolarHBondContact CD-O 3.42Å; R671-M686 PolarHBondContact NE-O 3.01Å
687	S	26.2	Very low	29.7	Very low	19 Å²	19	66 Å²	66	13%	0.133	37%	0.365	C	S	.	.			trans	-143.7	119.3	175	151.8	0	0	0	0	110.2	T231 G232 R671	T231-S687 CarbonylContact C-O 3.56Å; T231-S687 WeakPolarHBondContact O-CB 3.35Å; T231-S687 PolarHBondContact O-OG 3.12Å; T231-S687 VanDerWaalsContact O-OG 3.09Å; G232-S687 VanDerWaalsContact C-CB 3.41Å; G232-S687 PolarHBondContact N-O 3.38Å; G232-S687 WeakPolarHBondContact O-CB 3.19Å; G232-S687 PolarHBondContact O-N 3.05Å; R671-S687 VanDerWaalsContact CZ-CB 3.45Å; R671-S687 PolarHBondContact NH1-OG 3.48Å; R671-S687 VanDerWaalsContact NH1-OG 3.16Å
688	R	29.3	Very low	29.6	Very low	62 Å²	62	72.8 Å²	72.8	23%	0.234	40%	0.399	C	S	.	.			trans	-106.9	132.4	163.6	-62.7	-172.4	-174.5	-177.2	8.9	107.6	E389 E390 R671	E389-R688 IonicContact OE2-CZ 2.89Å; E389-R688 VanDerWaalsContact OE2-CZ 3.25Å; E389-R688 IonicContact OE2-NH1 3.35Å; E389-R688 PolarHBondContact OE2-NH1 3.08Å; E389-R688 IonicContact OE2-NH2 3.63Å; E389-R688 PolarHBondContact OE2-NH2 3.44Å; E390-R688 IonicContact OE1-CZ 3.97Å; E390-R688 IonicContact OE1-NE 3.64Å; E390-R688 PolarHBondContact OE1-NE 2.71Å; E390-R688 IonicContact OE1-NH2 2.96Å; E390-R688 PolarHBondContact OE1-NH2 2.96Å; R671-R688 VanDerWaalsContact NH2-N 3.15Å; R671-R688 PolarHBondContact NH2-O 3.02Å
689	S	27.8	Very low	29.8	Very low	95 Å²	95	74.3 Å²	74.3	66%	0.664	40%	0.403	S	S	*	.	S	Bend	trans	-79.9	118.2	168.9	48.8	0	0	0	0	109
690	G	27.8	Very low	30.4	Very low	57 Å²	57	79.2 Å²	79.2	59%	0.588	44%	0.435	S	S	*	.			trans	67.9	75	163.8	0	0	0	0	0	115.6
691	W	26.3	Very low	31.7	Very low	127 Å²	127	79 Å²	79	48%	0.481	43%	0.434	S	S	.	.			trans	-69.5	127.7	143.9	-80.5	82.6	0	0	0	107.7	E389 I693	E389-W691 WeakPolarHBondContact OE1-CH2 3.39Å; W691-I693 PolarHBondContact O-N 3.14Å
692	P	25.4	Very low	33.2	Very low	105 Å²	105	76 Å²	76	68%	0.682	43%	0.425	S	S	*	.			trans	-58	136.2	158.4	27.5	-31.7	0	0	0	106.9	C694	P692-C694 PolarHBondContact O-N 3.44Å
693	I	29	Very low	35	Very low	101 Å²	101	74.3 Å²	74.3	52%	0.518	42%	0.421	S	S	.	.			trans	-57	109.1	172.4	-63.6	172.5	0	0	0	105.7	Y367 W691 S695 F697	Y367-I693 HydrophobicContact CE2-CD1 4.06Å; W691-I693 PolarHBondContact O-N 3.14Å; I693-S695 PolarHBondContact O-N 3.48Å; I693-F697 HydrophobicContact CG2-CD2 4.07Å
694	C	27.2	Very low	37.2	Very low	63 Å²	63	73.6 Å²	73.6	43%	0.426	42%	0.417	S	S	.	.			trans	-63	127.9	-170.5	-161.5	0	0	0	0	107.8	P692 F696 F697	P692-C694 PolarHBondContact O-N 3.44Å; C694-F696 PolarHBondContact O-N 3.02Å; C694-F697 WeakPolarHBondContact O-CD2 3.49Å; C694-F697 PolarHBondContact O-N 2.69Å
695	S	25.3	Very low	40.1	Very low	118 Å²	118	76.3 Å²	76.3	83%	0.825	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	10.7	-175.4	42.4	0	0	0	0	114.5	I693	I693-S695 PolarHBondContact O-N 3.48Å
696	F	27.5	Very low	42.6	Very low	175 Å²	175	73.9 Å²	73.9	77%	0.768	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.4	169.1	-97.5	-89.5	0	0	0	114.6	C694 I698	C694-F696 PolarHBondContact O-N 3.02Å; F696-I698 PolarHBondContact O-N 3.19Å
697	F	29.8	Very low	45.5	Very low	79 Å²	79	73.5 Å²	73.5	35%	0.346	41%	0.412	S	S	.	.			trans	-76.3	86.3	172.6	-71.6	-71.7	0	0	0	111.4	M384 F665 I693 C694 F699	M384-F697 HydrophobicContact CE-CE1 4.01Å; M384-F697 HydrophobicContact CE-CZ 4.36Å; M384-F697 HydrophobicContact SD-CE1 4.13Å; M384-F697 HydrophobicContact SD-CZ 4.16Å; F665-F697 HydrophobicContact CD1-CE1 4.27Å; F665-F697 HydrophobicContact CD1-CZ 4.29Å; F665-F697 AromaticContact CE1-CE1 3.62Å; F665-F697 HydrophobicContact CE1-CE1 3.62Å; F665-F697 AromaticContact CE1-CZ 3.95Å; F665-F697 HydrophobicContact CE1-CZ 3.95Å; F665-F697 HydrophobicContact CZ-CE1 4.12Å; I693-F697 HydrophobicContact CG2-CD2 4.07Å; C694-F697 WeakPolarHBondContact O-CD2 3.49Å; C694-F697 PolarHBondContact O-N 2.69Å; F697-F699 PolarHBondContact O-N 2.9Å
698	I	30.4	Very low	48.5	Very low	150 Å²	150	73.4 Å²	73.4	77%	0.769	41%	0.409	S	S	*	.			trans	-82.2	27.2	172.5	-41.8	177.2	0	0	0	110.7	F696	F696-I698 PolarHBondContact O-N 3.19Å
699	F	39.7	Very low	51.5	Low	96 Å²	96	70.5 Å²	70.5	42%	0.421	40%	0.398	S	S	.	.	S	Bend	trans	-116.9	132.1	-173.1	-60.7	-67.6	0	0	0	111	M369 F697 S701	M369-F699 HydrophobicContact SD-CB 3.88Å; M369-F699 HydrophobicContact SD-CG 4.47Å; F697-F699 PolarHBondContact O-N 2.9Å; F699-S701 PolarHBondContact O-N 2.97Å
700	P	47	Very low	54.5	Low	121 Å²	121	67 Å²	67	79%	0.786	37%	0.371	S	S	*	.			trans	-71.2	96.3	-177.8	29.1	-34.1	0	0	0	110.4
701	S	58.2	Low	57.6	Low	55 Å²	55	64.3 Å²	64.3	39%	0.385	34%	0.343	S	S	.	.			trans	-90.5	148	165.1	58.7	0	0	0	0	109.9	F699	F699-S701 PolarHBondContact O-N 2.97Å
702	S	63	Low	60.5	Low	17 Å²	17	58.3 Å²	58.3	12%	0.119	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145	172.7	-58	0	0	0	0	109.8	G368	G368-S702 PolarHBondContact N-O 3.05Å
703	G	71	Confident	63.3	Low	12 Å²	12	53.6 Å²	53.6	12%	0.124	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.9	171.2	0	0	0	0	0	111.2	A897 E898	G703-A897 WeakPolarHBondContact O-CB 3.45Å; G703-A897 PolarHBondContact O-N 3.07Å; G703-E898 PolarHBondContact N-OE1 2.74Å
704	A	79.9	Confident	65.6	Low	0 Å²	0	52 Å²	52	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.7	-177.2	0	0	0	0	0	112.8	S366 L706 V894 E895	S366-A704 PolarHBondContact N-O 2.85Å; S366-A704 PolarHBondContact O-N 3.4Å; A704-L706 HydrophobicContact CB-CD2 3.7Å; A704-L706 HydrophobicContact CB-CG 4.41Å; A704-V894 HydrophobicContact CB-CG1 3.62Å; A704-E895 CarbonylContact C-O 3.55Å; A704-E895 WeakPolarHBondContact CA-O 3.07Å; A704-E895 WeakPolarHBondContact CB-O 3.4Å
705	Y	87.2	Confident	68.1	Low	69 Å²	69	50.9 Å²	50.9	27%	0.271	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.9	170.5	-48.5	-54.2	0	0	0	109.7	R363 M364 E895 A897	R363-Y705 CarbonylContact O-C 3.58Å; R363-Y705 WeakPolarHBondContact O-CA 3.29Å; M364-Y705 HydrophobicContact CB-CD1 4.34Å; M364-Y705 HydrophobicContact CE-CD1 3.47Å; M364-Y705 VanDerWaalsContact CE-CD1 3.47Å; M364-Y705 HydrophobicContact CE-CE1 3.3Å; M364-Y705 HydrophobicContact CE-CG 4.19Å; M364-Y705 HydrophobicContact SD-CD1 3.41Å; M364-Y705 WeakPolarHBondContact SD-CD1 3.42Å; M364-Y705 HydrophobicContact SD-CE1 3.93Å; M364-Y705 HydrophobicContact SD-CG 3.99Å; Y705-E895 HydrophobicContact CD2-CG 4.19Å; Y705-E895 PolarHBondContact N-O 3.08Å; Y705-E895 PolarHBondContact O-N 3.24Å; Y705-A897 HydrophobicContact CD1-CB 4.47Å; Y705-A897 HydrophobicContact CD2-CB 4.25Å; Y705-A897 HydrophobicContact CE1-CB 4.04Å; Y705-A897 HydrophobicContact CE2-CB 3.78Å
706	L	87.2	Confident	70.7	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.2	-168.1	-54.3	-174.1	0	0	0	111.1	R363 S366 F662 L664 A704 V892 I893 V894	R363-L706 HydrophobicContact CB-CB 4.49Å; R363-L706 PolarHBondContact N-O 3.02Å; R363-L706 PolarHBondContact O-N 3.05Å; S366-L706 VanDerWaalsContact CB-CD1 3.43Å; F662-L706 HydrophobicContact CE1-CD1 4.48Å; F662-L706 HydrophobicContact CZ-CD1 4.34Å; F662-L706 HydrophobicContact CZ-CD2 4.3Å; L664-L706 HydrophobicContact CD2-CB 4.42Å; L664-L706 HydrophobicContact CD2-CD1 3.38Å; L664-L706 HydrophobicContact CD2-CG 4.47Å; A704-L706 HydrophobicContact CB-CD2 3.7Å; A704-L706 HydrophobicContact CB-CG 4.41Å; L706-V892 HydrophobicContact CB-CG2 4.28Å; L706-I893 WeakPolarHBondContact CA-O 3.17Å; L706-V894 HydrophobicContact CD2-CB 4.02Å; L706-V894 HydrophobicContact CD2-CG1 3.72Å; L706-V894 HydrophobicContact CD2-CG2 3.95Å
707	K	90	Very high	72.7	Confident	19 Å²	19	37.8 Å²	37.8	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	106.9	-178.2	-42	-175.7	174.8	64	0	108.5	A355 V362 V892 I893 E895	A355-K707 HydrophobicContact CB-CD 4.14Å; V362-K707 HydrophobicContact CB-CG 4.43Å; V362-K707 HydrophobicContact CG1-CG 4.05Å; V362-K707 HydrophobicContact CG2-CD 3.97Å; V362-K707 HydrophobicContact CG2-CG 3.97Å; K707-V892 WeakPolarHBondContact O-CA 3.35Å; K707-I893 HydrophobicContact CB-CB 4.12Å; K707-I893 HydrophobicContact CB-CD1 4.45Å; K707-I893 HydrophobicContact CD-CD1 4.39Å; K707-I893 HydrophobicContact CG-CB 4.41Å; K707-I893 PolarHBondContact N-O 3.37Å; K707-I893 PolarHBondContact O-N 3.11Å; K707-E895 IonicContact NZ-OE2 2.74Å; K707-E895 PolarHBondContact NZ-OE2 2.88Å
708	L	88.7	Confident	74.2	Confident	17 Å²	17	35.5 Å²	35.5	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	140.9	174.8	-162	88.3	0	0	0	110	S358 Y360 N673 V890	S358-L708 PolarHBondContact OG-O 2.98Å; Y360-L708 HydrophobicContact CD1-CD2 4.33Å; Y360-L708 HydrophobicContact CD2-CB 4.13Å; Y360-L708 HydrophobicContact CD2-CD2 3.65Å; Y360-L708 HydrophobicContact CD2-CG 4.35Å; Y360-L708 HydrophobicContact CE1-CD2 4.32Å; Y360-L708 HydrophobicContact CE2-CD2 3.65Å; Y360-L708 HydrophobicContact CG-CB 4.15Å; Y360-L708 HydrophobicContact CG-CD2 4.01Å; N673-L708 HydrophobicContact CB-CD2 4.14Å; N673-L708 VanDerWaalsContact CG-CD2 3.45Å; N673-L708 WeakPolarHBondContact ND2-CD2 3.3Å; L708-V890 HydrophobicContact CD1-CG2 4.04Å; L708-V890 HydrophobicContact CG-CG2 4.46Å
709	L	92.1	Very high	75.6	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.8	179.3	-53.2	172.1	0	0	0	109.1	Y356 S725 I726 A729 I871 A891 I893	Y356-L709 HydrophobicContact CD2-CD2 4.39Å; L709-S725 WeakPolarHBondContact CA-OG 3.47Å; L709-I726 HydrophobicContact CB-CG1 3.7Å; L709-A729 HydrophobicContact CD1-CB 3.3Å; L709-A729 HydrophobicContact CD2-CB 4.32Å; L709-A729 HydrophobicContact CG-CB 4.45Å; L709-I871 HydrophobicContact CD1-CD1 3.59Å; L709-A891 HydrophobicContact CB-CB 4.41Å; L709-A891 PolarHBondContact N-O 3.23Å; L709-A891 PolarHBondContact O-N 3.37Å; L709-A891 VanDerWaalsContact O-O 3.08Å; L709-I893 HydrophobicContact CD1-CD1 3.89Å; L709-I893 HydrophobicContact CD1-CG1 3.71Å
710	R	91.2	Very high	76.6	Confident	22 Å²	22	29.4 Å²	29.4	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.7	173.1	59.3	176.9	179.8	174.7	-1.3	112.6	T359 Y360 T676 A712 E723 S725 E889	T359-R710 PolarHBondContact OG1-NH2 3.38Å; Y360-R710 HydrophobicContact CE2-CG 4.32Å; T676-R710 VanDerWaalsContact CG2-NH1 3.34Å; R710-A712 HydrophobicContact CG-CB 4.13Å; R710-E723 HydrophobicContact CG-CB 4.43Å; R710-E723 VanDerWaalsContact CG-CD 3.46Å; R710-E723 HydrophobicContact CG-CG 4.21Å; R710-E723 WeakPolarHBondContact CG-OE1 3.45Å; R710-E723 IonicContact CZ-OE2 2.67Å; R710-E723 IonicContact NE-OE1 3.48Å; R710-E723 IonicContact NE-OE2 3.57Å; R710-E723 PolarHBondContact NE-OE2 2.79Å; R710-E723 IonicContact NH2-OE2 2.77Å; R710-E723 PolarHBondContact NH2-OE2 2.78Å; R710-E723 VanDerWaalsContact NH2-OE2 3.14Å; R710-S725 PolarHBondContact N-OG 3.28Å; R710-S725 PolarHBondContact O-N 3.26Å; R710-S725 PolarHBondContact O-OG 3.48Å; R710-S725 VanDerWaalsContact O-OG 3.07Å; R710-E889 CarbonylContact C-O 3.5Å; R710-E889 WeakPolarHBondContact CA-O 3.22Å; R710-E889 VanDerWaalsContact CB-O 3.26Å; R710-E889 WeakPolarHBondContact CB-O 3.19Å
711	S	93.6	Very high	77.6	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.2	156.7	-67.6	0	0	0	0	106.9	E723 S881 S888 E889	S711-E723 WeakPolarHBondContact CA-O 3.49Å; S711-S881 VanDerWaalsContact CB-O 3.25Å; S711-S881 WeakPolarHBondContact CB-O 3.17Å; S711-S881 PolarHBondContact OG-O 3.3Å; S711-S888 VanDerWaalsContact O-CA 3.26Å; S711-S888 WeakPolarHBondContact O-CA 3.41Å; S711-E889 PolarHBondContact N-O 3.46Å; S711-E889 PolarHBondContact O-N 3.46Å
712	A	87.1	Confident	79	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	150.6	-173.3	0	0	0	0	0	111.4	R710 V717 M722 E723 G884	R710-A712 HydrophobicContact CG-CB 4.13Å; A712-V717 HydrophobicContact CB-CB 4.47Å; A712-V717 HydrophobicContact CB-CG1 3.69Å; A712-V717 HydrophobicContact CB-CG2 3.88Å; A712-M722 CarbonylContact O-C 3.02Å; A712-M722 WeakPolarHBondContact O-CA 3.33Å; A712-E723 PolarHBondContact N-O 3.11Å; A712-E723 PolarHBondContact O-N 3.32Å; A712-G884 CarbonylContact C-O 3.42Å; A712-G884 VanDerWaalsContact C-O 3.29Å
713	C	83.5	Confident	80.3	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.034	15%	0.152	C	C	.	.			trans	-158.2	178.7	178.5	66.1	0	0	0	0	111.1	W715 S716 V717 M722 G884	C713-W715 PolarHBondContact O-N 3.26Å; C713-W715 PolarHBondContact SG-NE1 3.27Å; C713-S716 PolarHBondContact N-OG 2.8Å; C713-S716 PolarHBondContact O-N 3.17Å; C713-S716 VanDerWaalsContact O-N 3.09Å; C713-S716 PolarHBondContact O-OG 3Å; C713-V717 WeakPolarHBondContact O-CG2 3.36Å; C713-V717 PolarHBondContact O-N 2.71Å; C713-V717 VanDerWaalsContact O-N 3.1Å; C713-M722 HydrophobicContact CB-CB 4.45Å; C713-M722 HydrophobicContact CB-CG 4.34Å; C713-G884 VanDerWaalsContact CB-O 3.29Å; C713-G884 WeakPolarHBondContact CB-O 3.23Å; C713-G884 PolarHBondContact SG-O 3.17Å
714	P	77.7	Confident	81.4	Confident	67 Å²	67	27.9 Å²	27.9	44%	0.435	15%	0.149	S	C	.	.	H	α-helix	trans	-57.7	-29.5	-169.2	-21.7	28.2	0	0	0	115.4	G718 N719	P714-G718 WeakPolarHBondContact O-CA 3.42Å; P714-G718 PolarHBondContact O-N 3.25Å; P714-N719 WeakPolarHBondContact CA-O 3.36Å; P714-N719 WeakPolarHBondContact CB-O 3.39Å; P714-N719 WeakPolarHBondContact CG-O 3.35Å
715	W	81	Confident	82.2	Confident	40 Å²	40	27.9 Å²	27.9	15%	0.152	15%	0.149	C	C	.	.	H	α-helix	trans	-71.9	-41.3	179.7	87.9	-108.3	0	0	0	112	H466 P467 V475 W478 H480 C713 R886	H466-W715 AromaticContact CE1-CE3 3.92Å; H466-W715 PolarHBondContact CE1-O 3.2Å; H466-W715 VanDerWaalsContact CE1-O 3.24Å; H466-W715 AromaticContact ND1-CZ3 3.94Å; P467-W715 HydrophobicContact CB-CE3 4.14Å; P467-W715 HydrophobicContact CB-CZ3 3.93Å; P467-W715 HydrophobicContact CG-CE3 4.46Å; P467-W715 HydrophobicContact CG-CZ3 3.93Å; V475-W715 HydrophobicContact CB-CD2 4.46Å; V475-W715 HydrophobicContact CB-CE3 4.35Å; V475-W715 HydrophobicContact CG1-CD2 3.69Å; V475-W715 HydrophobicContact CG1-CE3 3.63Å; V475-W715 HydrophobicContact CG1-CG 4.27Å; V475-W715 HydrophobicContact CG1-CH2 4.37Å; V475-W715 HydrophobicContact CG1-CZ2 4.4Å; V475-W715 HydrophobicContact CG1-CZ3 3.99Å; V475-W715 HydrophobicContact CG2-CB 3.55Å; V475-W715 HydrophobicContact CG2-CD2 3.86Å; V475-W715 HydrophobicContact CG2-CE3 3.95Å; V475-W715 HydrophobicContact CG2-CG 3.69Å; W478-W715 HydrophobicContact CB-CH2 4.27Å; W478-W715 HydrophobicContact CB-CZ2 3.47Å; W478-W715 VanDerWaalsContact CB-CZ2 3.47Å; W478-W715 AromaticContact CD1-NE1 3.71Å; H480-W715 AromaticContact CD2-CH2 3.99Å; H480-W715 AromaticContact CD2-CZ3 3.87Å; H480-W715 AromaticContact NE2-CZ3 3.62Å; C713-W715 PolarHBondContact O-N 3.26Å; C713-W715 PolarHBondContact SG-NE1 3.27Å; W715-R886 VanDerWaalsContact CZ2-O 3.31Å; W715-R886 WeakPolarHBondContact CZ2-O 3.49Å; W715-R886 PolarHBondContact NE1-O 2.88Å
716	S	79.6	Confident	82.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-86	-41.1	-173.2	49.2	0	0	0	0	113.3	H480 C713	H480-S716 PolarHBondContact CE1-O 2.86Å; C713-S716 PolarHBondContact N-OG 2.8Å; C713-S716 PolarHBondContact O-N 3.17Å; C713-S716 VanDerWaalsContact O-N 3.09Å; C713-S716 PolarHBondContact O-OG 3Å
717	V	69.4	Low	83.2	Confident	19 Å²	19	25.8 Å²	25.8	12%	0.115	14%	0.141	C	C	.	.	H	α-helix	trans	-112.8	-4.5	-173.9	-59.2	0	0	0	0	114.9	T676 A712 C713 N719	T676-V717 WeakPolarHBondContact O-CA 3.26Å; T676-V717 WeakPolarHBondContact O-CB 3.26Å; T676-V717 VanDerWaalsContact O-CG1 3.24Å; T676-V717 WeakPolarHBondContact O-CG1 3.19Å; A712-V717 HydrophobicContact CB-CB 4.47Å; A712-V717 HydrophobicContact CB-CG1 3.69Å; A712-V717 HydrophobicContact CB-CG2 3.88Å; C713-V717 WeakPolarHBondContact O-CG2 3.36Å; C713-V717 PolarHBondContact O-N 2.71Å; C713-V717 VanDerWaalsContact O-N 3.1Å; V717-N719 VanDerWaalsContact C-N 3.34Å; V717-N719 HydrophobicContact CG2-CB 4.41Å; V717-N719 WeakPolarHBondContact CG2-OD1 3.35Å; V717-N719 PolarHBondContact O-N 3.15Å
718	G	60.5	Low	83.6	Confident	31 Å²	31	29.7 Å²	29.7	32%	0.32	16%	0.155	S	C	.	.	S	Bend	trans	65	31.8	177.6	0	0	0	0	0	114.5	I319 P714	I319-G718 WeakPolarHBondContact CD1-O 3.3Å; P714-G718 WeakPolarHBondContact O-CA 3.42Å; P714-G718 PolarHBondContact O-N 3.25Å
719	N	60.4	Low	84	Confident	29 Å²	29	28.9 Å²	28.9	16%	0.155	15%	0.151	C	C	.	.	S	Bend	trans	-118.6	153.6	169.9	72.6	3.7	0	0	0	110.4	P714 V717 M721	P714-N719 WeakPolarHBondContact CA-O 3.36Å; P714-N719 WeakPolarHBondContact CB-O 3.39Å; P714-N719 WeakPolarHBondContact CG-O 3.35Å; V717-N719 VanDerWaalsContact C-N 3.34Å; V717-N719 HydrophobicContact CG2-CB 4.41Å; V717-N719 WeakPolarHBondContact CG2-OD1 3.35Å; V717-N719 PolarHBondContact O-N 3.15Å; N719-M721 PolarHBondContact O-N 3.11Å; N719-M721 PolarHBondContact OD1-N 3.35Å; N719-M721 PolarHBondContact OD1-O 3.03Å
720	N	59.6	Low	84.3	Confident	88 Å²	88	29 Å²	29	47%	0.471	15%	0.152	S	C	.	.	S	Bend	trans	-82	25.9	179.5	-68	-0.1	0	0	0	113.5	K318 I319	K318-N720 HydrophobicContact CB-CB 3.92Å; K318-N720 HydrophobicContact CD-CB 4.21Å; K318-N720 HydrophobicContact CG-CB 4.45Å; K318-N720 PolarHBondContact O-ND2 3.48Å; I319-N720 WeakPolarHBondContact CD1-OD1 3.28Å; I319-N720 WeakPolarHBondContact CG1-OD1 3.33Å
721	M	69.2	Low	84.6	Confident	53 Å²	53	28.8 Å²	28.8	26%	0.261	15%	0.152	S	C	.	.			trans	-128.4	121.1	-176.7	-61.9	-162.7	-50	0	0	110.9	P296 K318 N719 E723	P296-M721 HydrophobicContact CB-CE 3.89Å; P296-M721 HydrophobicContact CB-SD 4.15Å; P296-M721 HydrophobicContact CG-CE 3.84Å; K318-M721 HydrophobicContact CD-CG 4.34Å; K318-M721 PolarHBondContact NZ-SD 3.07Å; N719-M721 PolarHBondContact O-N 3.11Å; N719-M721 PolarHBondContact OD1-N 3.35Å; N719-M721 PolarHBondContact OD1-O 3.03Å; M721-E723 PolarHBondContact O-N 3.45Å
722	M	86.5	Confident	84.9	Confident	105 Å²	105	29.1 Å²	29.1	52%	0.517	16%	0.156	S	C	.	.			trans	-73.3	121.7	167.3	-173.9	-170.8	80.4	0	0	109.1	A712 C713 L883 K885	A712-M722 CarbonylContact O-C 3.02Å; A712-M722 WeakPolarHBondContact O-CA 3.33Å; C713-M722 HydrophobicContact CB-CB 4.45Å; C713-M722 HydrophobicContact CB-CG 4.34Å; M722-L883 VanDerWaalsContact SD-O 3.38Å; M722-K885 HydrophobicContact CG-CB 4.37Å; M722-K885 HydrophobicContact SD-CB 3.77Å; M722-K885 HydrophobicContact SD-CD 4.33Å; M722-K885 HydrophobicContact SD-CG 4.38Å
723	E	89.9	Confident	85.4	Confident	8 Å²	8	29.4 Å²	29.4	4%	0.037	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	169.3	-166.9	177.2	148	0	0	109.6	S358 T359 R710 S711 A712 M721 S725 G884	S358-E723 WeakPolarHBondContact CA-OE1 3.13Å; T359-E723 WeakPolarHBondContact CB-OE2 3.32Å; T359-E723 PolarHBondContact N-OE1 2.75Å; T359-E723 PolarHBondContact N-OE2 2.95Å; T359-E723 PolarHBondContact OG1-OE2 3.45Å; R710-E723 HydrophobicContact CG-CB 4.43Å; R710-E723 VanDerWaalsContact CG-CD 3.46Å; R710-E723 HydrophobicContact CG-CG 4.21Å; R710-E723 WeakPolarHBondContact CG-OE1 3.45Å; R710-E723 IonicContact CZ-OE2 2.67Å; R710-E723 IonicContact NE-OE1 3.48Å; R710-E723 IonicContact NE-OE2 3.57Å; R710-E723 PolarHBondContact NE-OE2 2.79Å; R710-E723 IonicContact NH2-OE2 2.77Å; R710-E723 PolarHBondContact NH2-OE2 2.78Å; R710-E723 VanDerWaalsContact NH2-OE2 3.14Å; S711-E723 WeakPolarHBondContact CA-O 3.49Å; A712-E723 PolarHBondContact N-O 3.11Å; A712-E723 PolarHBondContact O-N 3.32Å; M721-E723 PolarHBondContact O-N 3.45Å; E723-S725 WeakPolarHBondContact OE1-CB 3.09Å; E723-S725 PolarHBondContact OE1-OG 3.39Å; E723-G884 WeakPolarHBondContact O-CA 3.46Å
724	A	95.3	Very high	86.1	Confident	8 Å²	8	29.2 Å²	29.2	7%	0.066	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	45.5	175.5	0	0	0	0	0	108.8	I726 H727 R728	A724-I726 VanDerWaalsContact C-N 3.25Å; A724-I726 PolarHBondContact O-N 2.98Å; A724-H727 PolarHBondContact O-N 2.92Å; A724-R728 PolarHBondContact O-N 3.42Å
725	S	95.5	Very high	87.1	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.3	-26.4	-174.9	54.3	0	0	0	0	111.8	L709 R710 E723 A729	L709-S725 WeakPolarHBondContact CA-OG 3.47Å; R710-S725 PolarHBondContact N-OG 3.28Å; R710-S725 PolarHBondContact O-N 3.26Å; R710-S725 PolarHBondContact O-OG 3.48Å; R710-S725 VanDerWaalsContact O-OG 3.07Å; E723-S725 WeakPolarHBondContact OE1-CB 3.09Å; E723-S725 PolarHBondContact OE1-OG 3.39Å; S725-A729 VanDerWaalsContact O-CB 3.24Å; S725-A729 WeakPolarHBondContact O-CB 3.48Å; S725-A729 PolarHBondContact O-N 3.37Å
726	I	97.6	Very high	87.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-52.1	171.5	-57.7	-179.9	0	0	0	111.2	L709 A724 R728 A729 Y730 A875 M882 E889 A891	L709-I726 HydrophobicContact CB-CG1 3.7Å; A724-I726 VanDerWaalsContact C-N 3.25Å; A724-I726 PolarHBondContact O-N 2.98Å; I726-R728 PolarHBondContact O-N 2.99Å; I726-A729 WeakPolarHBondContact O-CB 3.39Å; I726-A729 PolarHBondContact O-N 3.32Å; I726-Y730 HydrophobicContact CG2-CD2 3.89Å; I726-Y730 HydrophobicContact CG2-CE2 4.01Å; I726-Y730 PolarHBondContact O-N 2.75Å; I726-A875 HydrophobicContact CD1-CB 3.78Å; I726-A875 HydrophobicContact CG2-CB 3.77Å; I726-M882 HydrophobicContact CG2-CE 4.23Å; I726-M882 HydrophobicContact CG2-SD 4.02Å; I726-E889 HydrophobicContact CD1-CB 3.75Å; I726-A891 HydrophobicContact CD1-CB 3.93Å; I726-A891 HydrophobicContact CG1-CB 4Å; I726-A891 HydrophobicContact CG2-CB 4.39Å
727	H	98.2	Very high	88.8	Confident	28 Å²	28	35 Å²	35	13%	0.13	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-46.2	-179.1	172.4	-134.7	0	0	0	111.9	A724 A729 Y730 V731 S760 M882	A724-H727 PolarHBondContact O-N 2.92Å; H727-A729 VanDerWaalsContact C-N 3.28Å; H727-A729 PolarHBondContact O-N 3.46Å; H727-Y730 PolarHBondContact O-N 2.58Å; H727-V731 WeakPolarHBondContact NE2-CG2 3.25Å; H727-V731 WeakPolarHBondContact O-CG2 3.28Å; H727-V731 PolarHBondContact O-N 2.92Å; H727-S760 PolarHBondContact CE1-OG 3.2Å; H727-S760 PolarHBondContact NE2-N 3.08Å; H727-S760 PolarHBondContact NE2-OG 2.8Å; H727-M882 HydrophobicContact CB-CB 3.96Å; H727-M882 VanDerWaalsContact CB-O 3.24Å; H727-M882 WeakPolarHBondContact CB-O 3.32Å; H727-M882 HydrophobicContact CB-SD 3.93Å
728	R	98	Very high	90.1	Very high	101 Å²	101	40.7 Å²	40.7	38%	0.381	21%	0.207	S	C	.	.	H	α-helix	trans	-62.6	-33.9	177	-67.7	-173.8	-63.3	-122.3	2	112.8	Y356 G357 A724 I726 G732	Y356-R728 WeakPolarHBondContact CD1-O 3.41Å; Y356-R728 VanDerWaalsContact O-CZ 3.3Å; Y356-R728 PolarHBondContact O-NE 3.2Å; Y356-R728 PolarHBondContact O-NH2 3.15Å; G357-R728 PolarHBondContact O-NH2 2.89Å; A724-R728 PolarHBondContact O-N 3.42Å; I726-R728 PolarHBondContact O-N 2.99Å; R728-G732 PolarHBondContact O-N 2.72Å
729	A	98	Very high	91.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.9	-45.6	173.1	0	0	0	0	0	113	Y356 L709 S725 I726 H727 G732 L733 I871 I893	Y356-A729 HydrophobicContact CD1-CB 4.25Å; Y356-A729 HydrophobicContact CD2-CB 3.91Å; Y356-A729 HydrophobicContact CE2-CB 4.32Å; Y356-A729 HydrophobicContact CG-CB 3.87Å; L709-A729 HydrophobicContact CD1-CB 3.3Å; L709-A729 HydrophobicContact CD2-CB 4.32Å; L709-A729 HydrophobicContact CG-CB 4.45Å; S725-A729 VanDerWaalsContact O-CB 3.24Å; S725-A729 WeakPolarHBondContact O-CB 3.48Å; S725-A729 PolarHBondContact O-N 3.37Å; I726-A729 WeakPolarHBondContact O-CB 3.39Å; I726-A729 PolarHBondContact O-N 3.32Å; H727-A729 VanDerWaalsContact C-N 3.28Å; H727-A729 PolarHBondContact O-N 3.46Å; A729-G732 PolarHBondContact O-N 2.62Å; A729-L733 VanDerWaalsContact O-CB 3.3Å; A729-L733 WeakPolarHBondContact O-CB 2.99Å; A729-L733 VanDerWaalsContact O-CG 3.25Å; A729-L733 WeakPolarHBondContact O-CG 3.46Å; A729-L733 PolarHBondContact O-N 2.91Å; A729-I871 HydrophobicContact CB-CD1 4.07Å; A729-I893 HydrophobicContact CB-CD1 3.85Å; A729-I893 HydrophobicContact CB-CG1 4.48Å
730	Y	98.5	Very high	93.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-51.5	175.9	-97.9	-94.2	0	0	0	110.8	I726 H727 L733 I734 I761 M863 I871 I877 M882	I726-Y730 HydrophobicContact CG2-CD2 3.89Å; I726-Y730 HydrophobicContact CG2-CE2 4.01Å; I726-Y730 PolarHBondContact O-N 2.75Å; H727-Y730 PolarHBondContact O-N 2.58Å; Y730-L733 PolarHBondContact O-N 3.37Å; Y730-I734 VanDerWaalsContact O-CD1 3.29Å; Y730-I734 WeakPolarHBondContact O-CD1 3.4Å; Y730-I734 WeakPolarHBondContact O-CG1 3.4Å; Y730-I734 PolarHBondContact O-N 3.14Å; Y730-I761 HydrophobicContact CD1-CD1 4.34Å; Y730-I761 HydrophobicContact CG-CD1 4.28Å; Y730-M863 HydrophobicContact CD1-CE 3.71Å; Y730-M863 HydrophobicContact CD1-SD 4Å; Y730-M863 HydrophobicContact CE1-CB 3.81Å; Y730-M863 HydrophobicContact CE1-CE 4.12Å; Y730-M863 HydrophobicContact CE1-SD 4.17Å; Y730-M863 HydrophobicContact CG-CE 4.22Å; Y730-I871 HydrophobicContact CD2-CD1 3.73Å; Y730-I871 HydrophobicContact CD2-CG2 4.47Å; Y730-I871 HydrophobicContact CE1-CG2 4.36Å; Y730-I871 HydrophobicContact CE2-CD1 3.66Å; Y730-I871 HydrophobicContact CE2-CG1 4.07Å; Y730-I871 HydrophobicContact CE2-CG2 3.99Å; Y730-I877 HydrophobicContact CE1-CD1 4.34Å; Y730-I877 HydrophobicContact CE1-CG1 4.37Å; Y730-M882 HydrophobicContact CD2-CE 3.79Å; Y730-M882 HydrophobicContact CD2-SD 4.43Å; Y730-M882 HydrophobicContact CE2-CE 3.89Å; Y730-M882 HydrophobicContact CG-CE 4.13Å
731	V	98.4	Very high	95.6	Very high	16 Å²	16	36 Å²	36	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-53.5	178.1	171.7	0	0	0	0	111.2	H727 L733 I734 E735 S760 I761 A764	H727-V731 WeakPolarHBondContact NE2-CG2 3.25Å; H727-V731 WeakPolarHBondContact O-CG2 3.28Å; H727-V731 PolarHBondContact O-N 2.92Å; V731-L733 VanDerWaalsContact C-N 3.33Å; V731-L733 PolarHBondContact O-N 2.95Å; V731-I734 PolarHBondContact O-N 2.77Å; V731-I734 VanDerWaalsContact O-N 3.11Å; V731-E735 HydrophobicContact CG1-CG 4.26Å; V731-E735 VanDerWaalsContact CG1-OE1 3.24Å; V731-E735 WeakPolarHBondContact CG1-OE1 3.4Å; V731-E735 WeakPolarHBondContact O-CG 3.38Å; V731-E735 PolarHBondContact O-N 3.31Å; V731-S760 VanDerWaalsContact CG2-OG 3.31Å; V731-S760 WeakPolarHBondContact CG2-OG 3.4Å; V731-I761 HydrophobicContact CG2-CG1 4.42Å; V731-A764 HydrophobicContact CG1-CB 4.24Å
732	G	98.1	Very high	97	Very high	8 Å²	8	33.5 Å²	33.5	8%	0.082	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-34.5	-177.5	0	0	0	0	0	114	R728 A729 N736	R728-G732 PolarHBondContact O-N 2.72Å; A729-G732 PolarHBondContact O-N 2.62Å; G732-N736 WeakPolarHBondContact O-CB 3.45Å; G732-N736 PolarHBondContact O-N 2.7Å; G732-N736 PolarHBondContact O-ND2 3.07Å
733	L	98.4	Very high	97.6	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-69.5	-37.8	173.9	-73.4	173.8	0	0	0	112.2	A729 Y730 V731 A737 M863 V865 W869 I871 I893	A729-L733 VanDerWaalsContact O-CB 3.3Å; A729-L733 WeakPolarHBondContact O-CB 2.99Å; A729-L733 VanDerWaalsContact O-CG 3.25Å; A729-L733 WeakPolarHBondContact O-CG 3.46Å; A729-L733 PolarHBondContact O-N 2.91Å; Y730-L733 PolarHBondContact O-N 3.37Å; V731-L733 VanDerWaalsContact C-N 3.33Å; V731-L733 PolarHBondContact O-N 2.95Å; L733-A737 PolarHBondContact O-N 2.89Å; L733-A737 VanDerWaalsContact O-N 3.15Å; L733-M863 HydrophobicContact CB-CE 3.71Å; L733-M863 HydrophobicContact CD1-CE 4.03Å; L733-V865 HydrophobicContact CB-CG2 4.32Å; L733-W869 HydrophobicContact CD2-CB 3.89Å; L733-W869 HydrophobicContact CD2-CD2 3.82Å; L733-W869 HydrophobicContact CD2-CE3 3.89Å; L733-W869 HydrophobicContact CD2-CG 3.83Å; L733-I871 HydrophobicContact CD1-CB 4.32Å; L733-I871 HydrophobicContact CD1-CG2 4.2Å; L733-I893 HydrophobicContact CD1-CD1 4.35Å; L733-I893 HydrophobicContact CD1-CG1 4.36Å
734	I	98.7	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.2	-46.9	176.5	-67.8	161	0	0	0	110.8	Y730 V731 N736 A737 I741 I761 A764 L765 R768 M863	Y730-I734 VanDerWaalsContact O-CD1 3.29Å; Y730-I734 WeakPolarHBondContact O-CD1 3.4Å; Y730-I734 WeakPolarHBondContact O-CG1 3.4Å; Y730-I734 PolarHBondContact O-N 3.14Å; V731-I734 PolarHBondContact O-N 2.77Å; V731-I734 VanDerWaalsContact O-N 3.11Å; I734-N736 VanDerWaalsContact C-N 3.28Å; I734-N736 PolarHBondContact O-N 3.26Å; I734-A737 WeakPolarHBondContact O-CB 3.3Å; I734-A737 PolarHBondContact O-N 2.75Å; I734-I741 HydrophobicContact CB-CD1 4.2Å; I734-I741 HydrophobicContact CG1-CD1 4.12Å; I734-I741 HydrophobicContact CG2-CD1 3.91Å; I734-I761 HydrophobicContact CD1-CG2 3.98Å; I734-A764 HydrophobicContact CB-CB 4.1Å; I734-A764 HydrophobicContact CD1-CB 4.49Å; I734-A764 VanDerWaalsContact CG2-C 3.46Å; I734-A764 HydrophobicContact CG2-CB 3.73Å; I734-A764 WeakPolarHBondContact CG2-O 3.24Å; I734-L765 HydrophobicContact CD1-CD2 4.28Å; I734-L765 HydrophobicContact CD1-CG 4.24Å; I734-L765 HydrophobicContact CG1-CD2 4.32Å; I734-L765 HydrophobicContact CG2-CD2 3.85Å; I734-L765 HydrophobicContact CG2-CG 4.15Å; I734-R768 HydrophobicContact CG2-CB 4.36Å; I734-R768 WeakPolarHBondContact O-CG 3.36Å; I734-M863 HydrophobicContact CD1-SD 4.16Å; I734-M863 HydrophobicContact CG1-CE 4.13Å; I734-M863 HydrophobicContact CG1-SD 3.74Å
735	E	98.2	Very high	98.1	Very high	104 Å²	104	27.8 Å²	27.8	49%	0.486	13%	0.131	S	C	.	.	H	α-helix	trans	-60.4	-36.1	179.3	-71.8	170.5	166.7	0	0	112.5	V731 A764	V731-E735 HydrophobicContact CG1-CG 4.26Å; V731-E735 VanDerWaalsContact CG1-OE1 3.24Å; V731-E735 WeakPolarHBondContact CG1-OE1 3.4Å; V731-E735 WeakPolarHBondContact O-CG 3.38Å; V731-E735 PolarHBondContact O-N 3.31Å; E735-A764 HydrophobicContact CG-CB 4.35Å
736	N	98	Very high	98.1	Very high	121 Å²	121	28.9 Å²	28.9	65%	0.647	14%	0.136	S	C	*	.	H	α-helix	trans	-93.4	-2	-177.6	-72.4	-86.5	0	0	0	114.6	G732 I734	G732-N736 WeakPolarHBondContact O-CB 3.45Å; G732-N736 PolarHBondContact O-N 2.7Å; G732-N736 PolarHBondContact O-ND2 3.07Å; I734-N736 VanDerWaalsContact C-N 3.28Å; I734-N736 PolarHBondContact O-N 3.26Å
737	A	98.4	Very high	98	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.025	14%	0.141	C	C	.	.			trans	-59.9	144	177.8	0	0	0	0	0	111.6	L733 I734 I741 R768 F779 V865	L733-A737 PolarHBondContact O-N 2.89Å; L733-A737 VanDerWaalsContact O-N 3.15Å; I734-A737 WeakPolarHBondContact O-CB 3.3Å; I734-A737 PolarHBondContact O-N 2.75Å; A737-I741 HydrophobicContact CB-CD1 3.79Å; A737-I741 HydrophobicContact CB-CG1 3.71Å; A737-R768 PolarHBondContact O-NE 3.03Å; A737-R768 PolarHBondContact O-NH2 3.05Å; A737-F779 HydrophobicContact CB-CE2 3.81Å; A737-F779 HydrophobicContact CB-CZ 3.87Å; A737-V865 HydrophobicContact CB-CG1 3.45Å; A737-V865 VanDerWaalsContact CB-CG1 3.45Å
738	K	97.5	Very high	98	Very high	140 Å²	140	28.8 Å²	28.8	61%	0.609	14%	0.135	S	C	*	.	S	Bend	trans	-112.9	-35.9	-175.3	-68.5	-175.1	179.5	-178.4	0	114	R768 D866	K738-R768 PolarHBondContact O-NH2 2.91Å; K738-D866 PolarHBondContact N-OD1 3.47Å; K738-D866 PolarHBondContact N-OD2 2.97Å
739	H	98.1	Very high	97.9	Very high	50 Å²	50	24 Å²	24	23%	0.231	12%	0.117	C	C	.	.	S	Bend	trans	-129	-48.8	-166.9	-52.4	-74	0	0	0	112.3	F779 R780 D866 M904 Y909	H739-F779 WeakPolarHBondContact O-CA 3.39Å; H739-R780 PolarHBondContact O-N 3.45Å; H739-R780 VanDerWaalsContact O-N 3.11Å; H739-D866 WeakPolarHBondContact CA-OD1 3.45Å; H739-D866 WeakPolarHBondContact CB-OD1 3.13Å; H739-D866 IonicContact CD2-OD1 2.71Å; H739-D866 IonicContact CG-OD1 3.16Å; H739-D866 PolarHBondContact N-OD1 2.9Å; H739-M904 HydrophobicContact CB-CG 3.41Å; H739-M904 VanDerWaalsContact CB-CG 3.41Å; H739-M904 HydrophobicContact CB-SD 3.64Å; H739-Y909 AromaticContact NE2-CE2 3.81Å
740	Y	98.6	Very high	97.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	155.6	178.3	89.5	-84.6	0	0	0	113.8	R780 Y782 I864 D866 D867 M904 R919 P942	Y740-R780 CarbonylContact C-O 3.56Å; Y740-R780 WeakPolarHBondContact CA-O 3.02Å; Y740-R780 WeakPolarHBondContact CB-O 3.35Å; Y740-Y782 HydrophobicContact CD2-CD2 4.28Å; Y740-Y782 HydrophobicContact CD2-CE2 4.27Å; Y740-I864 WeakPolarHBondContact OH-CG2 3.32Å; Y740-D866 PolarHBondContact N-OD1 3.34Å; Y740-D866 PolarHBondContact O-N 2.83Å; Y740-D866 VanDerWaalsContact O-N 3.07Å; Y740-D867 HydrophobicContact CE1-CB 4.37Å; Y740-D867 VanDerWaalsContact CE1-N 3.33Å; Y740-D867 PolarHBondContact OH-N 2.94Å; Y740-D867 PolarHBondContact OH-OD1 2.91Å; Y740-M904 HydrophobicContact CD1-CE 4.22Å; Y740-M904 HydrophobicContact CD1-SD 3.92Å; Y740-M904 HydrophobicContact CE1-CE 4.12Å; Y740-M904 HydrophobicContact CE1-SD 4.39Å; Y740-R919 WeakPolarHBondContact OH-CG 3.47Å; Y740-P942 HydrophobicContact CD1-CB 4.13Å; Y740-P942 HydrophobicContact CD1-CG 3.54Å; Y740-P942 HydrophobicContact CD2-CB 4.34Å; Y740-P942 HydrophobicContact CE1-CB 4.09Å; Y740-P942 HydrophobicContact CE1-CG 3.32Å; Y740-P942 HydrophobicContact CE2-CB 4.35Å; Y740-P942 HydrophobicContact CE2-CG 4.42Å; Y740-P942 HydrophobicContact CG-CB 4.25Å; Y740-P942 HydrophobicContact CG-CG 4.17Å
741	I	98.8	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.4	171.6	-59.3	171.9	0	0	0	108	I734 A737 I743 L765 F779 R780 V781 Y782 M863 V865	I734-I741 HydrophobicContact CB-CD1 4.2Å; I734-I741 HydrophobicContact CG1-CD1 4.12Å; I734-I741 HydrophobicContact CG2-CD1 3.91Å; A737-I741 HydrophobicContact CB-CD1 3.79Å; A737-I741 HydrophobicContact CB-CG1 3.71Å; I741-I743 HydrophobicContact CG2-CD1 4.03Å; I741-I743 HydrophobicContact CG2-CG1 3.88Å; I741-L765 HydrophobicContact CD1-CD2 4.1Å; I741-F779 HydrophobicContact CD1-CE1 4.31Å; I741-F779 HydrophobicContact CD1-CZ 3.7Å; I741-F779 HydrophobicContact CG1-CZ 3.87Å; I741-R780 PolarHBondContact N-O 2.67Å; I741-V781 HydrophobicContact CB-CG1 4.45Å; I741-V781 HydrophobicContact CB-CG2 4.39Å; I741-V781 WeakPolarHBondContact O-CA 3.29Å; I741-Y782 PolarHBondContact O-N 3.15Å; I741-M863 HydrophobicContact CG2-CG 3.82Å; I741-M863 HydrophobicContact CG2-SD 3.75Å; I741-V865 HydrophobicContact CG1-CG1 4.4Å; I741-V865 HydrophobicContact CG1-CG2 4.32Å; I741-V865 HydrophobicContact CG2-CG2 4.48Å
742	Y	98.8	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.7	172.5	169.3	-91.3	0	0	0	109.8	R660 E744 Y782 L784 L862 M863 I864 L922 F923	R660-Y742 PolarHBondContact NH2-OH 3.28Å; Y742-E744 PolarHBondContact OH-OE1 2.94Å; Y742-Y782 HydrophobicContact CD2-CG 4.28Å; Y742-L784 HydrophobicContact CD2-CD1 4.44Å; Y742-L784 HydrophobicContact CE2-CD1 3.8Å; Y742-L784 HydrophobicContact CE2-CD2 4.35Å; Y742-L862 HydrophobicContact CE1-CD2 4.31Å; Y742-M863 CarbonylContact O-C 3.48Å; Y742-M863 VanDerWaalsContact O-CA 3.25Å; Y742-M863 WeakPolarHBondContact O-CA 3.02Å; Y742-I864 HydrophobicContact CD1-CB 4.46Å; Y742-I864 HydrophobicContact CD1-CD1 4Å; Y742-I864 HydrophobicContact CD1-CG1 4.14Å; Y742-I864 HydrophobicContact CE1-CD1 4.46Å; Y742-I864 PolarHBondContact N-O 2.89Å; Y742-I864 PolarHBondContact O-N 2.77Å; Y742-L922 HydrophobicContact CE1-CD1 3.91Å; Y742-F923 AromaticContact CD2-CE1 3.76Å; Y742-F923 HydrophobicContact CD2-CE1 3.76Å; Y742-F923 HydrophobicContact CD2-CZ 4.4Å; Y742-F923 AromaticContact CE2-CE1 3.81Å; Y742-F923 HydrophobicContact CE2-CE1 3.81Å; Y742-F923 HydrophobicContact CG-CE1 4.48Å
743	I	98.7	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.5	-176.6	-63.7	170.6	0	0	0	109.3	I741 N745 Y782 V783 L784 L862 M863 I877	I741-I743 HydrophobicContact CG2-CD1 4.03Å; I741-I743 HydrophobicContact CG2-CG1 3.88Å; I743-N745 HydrophobicContact CG2-CB 4.21Å; I743-Y782 PolarHBondContact N-O 2.97Å; I743-V783 HydrophobicContact CB-CG1 4.5Å; I743-V783 HydrophobicContact CG2-CG1 4.42Å; I743-L784 PolarHBondContact O-N 2.88Å; I743-L862 WeakPolarHBondContact CA-O 3.19Å; I743-M863 HydrophobicContact CD1-SD 4.24Å; I743-M863 HydrophobicContact CG1-CB 4.09Å; I743-M863 HydrophobicContact CG1-CG 3.82Å; I743-M863 HydrophobicContact CG1-SD 4.12Å; I743-I877 HydrophobicContact CD1-CD1 4.46Å; I743-I877 HydrophobicContact CG2-CD1 3.77Å
744	E	98.2	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	131.8	150	-86.2	-177.7	-161.3	0	0	110.1	R660 Y742 L784 I858 S860 K861 L862 H926	R660-E744 IonicContact CZ-OE1 3.25Å; R660-E744 IonicContact CZ-OE2 3.57Å; R660-E744 IonicContact NE-OE2 3.12Å; R660-E744 PolarHBondContact NE-OE2 3.26Å; R660-E744 VanDerWaalsContact NH1-CB 3.35Å; R660-E744 VanDerWaalsContact NH1-CD 3.33Å; R660-E744 IonicContact NH1-OE1 3.04Å; R660-E744 IonicContact NH1-OE2 2.7Å; R660-E744 PolarHBondContact NH1-OE2 3.47Å; R660-E744 IonicContact NH2-OE1 2.69Å; R660-E744 PolarHBondContact NH2-OE1 3.01Å; R660-E744 IonicContact NH2-OE2 3.55Å; R660-E744 PolarHBondContact NH2-OE2 3.38Å; Y742-E744 PolarHBondContact OH-OE1 2.94Å; E744-L784 WeakPolarHBondContact CA-O 3.47Å; E744-L784 HydrophobicContact CG-CB 3.46Å; E744-L784 VanDerWaalsContact CG-CB 3.46Å; E744-L784 HydrophobicContact CG-CD2 4.21Å; E744-L784 HydrophobicContact CG-CG 4.42Å; E744-I858 HydrophobicContact CB-CG2 3.84Å; E744-I858 HydrophobicContact CG-CG2 3.81Å; E744-S860 WeakPolarHBondContact OE2-CB 3.49Å; E744-S860 PolarHBondContact OE2-OG 3.12Å; E744-K861 WeakPolarHBondContact O-CA 3.2Å; E744-L862 PolarHBondContact N-O 2.93Å; E744-L862 PolarHBondContact O-N 3.06Å; E744-H926 IonicContact OE1-CD2 2.68Å; E744-H926 IonicContact OE1-CE1 3.08Å; E744-H926 IonicContact OE1-NE2 2.84Å; E744-H926 PolarHBondContact OE1-NE2 3.13Å
745	N	98.1	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.8	173.7	-147.1	-79.7	0	0	0	111.7	I743 F747 L784 L785 P786 S860 N876 I877	I743-N745 HydrophobicContact CG2-CB 4.21Å; N745-F747 VanDerWaalsContact C-N 3.29Å; N745-F747 WeakPolarHBondContact CB-O 3.04Å; N745-F747 PolarHBondContact OD1-N 3.43Å; N745-F747 PolarHBondContact OD1-O 2.81Å; N745-F747 VanDerWaalsContact OD1-O 3.08Å; N745-L784 PolarHBondContact N-O 2.71Å; N745-L784 VanDerWaalsContact N-O 3.15Å; N745-L785 HydrophobicContact CB-CD2 4.5Å; N745-L785 WeakPolarHBondContact O-CD2 3.48Å; N745-P786 WeakPolarHBondContact O-CD 3.45Å; N745-S860 WeakPolarHBondContact CA-O 3.38Å; N745-N876 WeakPolarHBondContact OD1-CA 3.43Å; N745-N876 WeakPolarHBondContact OD1-CB 3.2Å; N745-N876 PolarHBondContact OD1-OD1 3.29Å; N745-I877 HydrophobicContact CB-CD1 4.02Å; N745-I877 HydrophobicContact CB-CG1 4.25Å; N745-I877 PolarHBondContact OD1-N 2.7Å
746	Q	94.8	Very high	95.2	Very high	23 Å²	23	35 Å²	35	11%	0.107	18%	0.176	C	C	.	.	S	Bend	trans	-68.4	-30.7	175.7	-172.5	-173.7	1.9	0	0	112.3	P786 Y857 I858 H859 S860 N876	Q746-P786 WeakPolarHBondContact O-CD 3.06Å; Q746-P786 VanDerWaalsContact O-CG 3.3Å; Q746-P786 WeakPolarHBondContact O-CG 3.24Å; Q746-Y857 HydrophobicContact CG-CE1 4.38Å; Q746-Y857 VanDerWaalsContact CG-OH 3.25Å; Q746-Y857 WeakPolarHBondContact CG-OH 3.39Å; Q746-Y857 PolarHBondContact NE2-OH 2.9Å; Q746-I858 WeakPolarHBondContact CA-O 3.24Å; Q746-H859 PolarHBondContact NE2-CD2 3.48Å; Q746-H859 VanDerWaalsContact NE2-CD2 3.28Å; Q746-H859 PolarHBondContact OE1-CD2 3.13Å; Q746-H859 VanDerWaalsContact OE1-CD2 3.31Å; Q746-H859 PolarHBondContact OE1-NE2 2.75Å; Q746-S860 PolarHBondContact N-O 2.93Å; Q746-N876 WeakPolarHBondContact CB-OD1 3.35Å; Q746-N876 PolarHBondContact OE1-OD1 2.94Å
747	F	96.3	Very high	95	Very high	26 Å²	26	29.4 Å²	29.4	11%	0.114	15%	0.147	C	C	.	.			trans	-134.4	154.8	179.7	-56.1	-62.2	0	0	0	110.6	N745 F791 V806 N876 I877	N745-F747 VanDerWaalsContact C-N 3.29Å; N745-F747 WeakPolarHBondContact CB-O 3.04Å; N745-F747 PolarHBondContact OD1-N 3.43Å; N745-F747 PolarHBondContact OD1-O 2.81Å; N745-F747 VanDerWaalsContact OD1-O 3.08Å; F747-F791 HydrophobicContact CE1-CE2 4.47Å; F747-F791 HydrophobicContact CZ-CE2 4.48Å; F747-V806 HydrophobicContact CD1-CG1 3.67Å; F747-V806 HydrophobicContact CE1-CG1 3.72Å; F747-N876 HydrophobicContact CB-CB 4.38Å; F747-N876 HydrophobicContact CD2-CB 3.79Å; F747-I877 WeakPolarHBondContact O-CB 3.16Å
748	F	97.6	Very high	94.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-139.2	70	174.1	-162.3	-92.4	0	0	0	109	T750 L765 V783 L785 S813 I814 L821 F838 I877	F748-T750 HydrophobicContact CD1-CG2 3.98Å; F748-T750 HydrophobicContact CE1-CG2 3.73Å; F748-T750 HydrophobicContact CE2-CG2 4.36Å; F748-T750 HydrophobicContact CG-CG2 4.41Å; F748-T750 HydrophobicContact CZ-CG2 3.94Å; F748-L765 HydrophobicContact CE2-CD1 4.18Å; F748-L765 HydrophobicContact CZ-CD1 3.78Å; F748-V783 HydrophobicContact CD2-CG1 3.94Å; F748-V783 HydrophobicContact CE2-CG1 3.96Å; F748-L785 HydrophobicContact CB-CD1 3.67Å; F748-L785 HydrophobicContact CB-CD2 3.77Å; F748-L785 HydrophobicContact CB-CG 4.4Å; F748-L785 HydrophobicContact CD2-CD2 4.36Å; F748-L785 HydrophobicContact CG-CD1 4.29Å; F748-L785 HydrophobicContact CG-CD2 4.42Å; F748-S813 WeakPolarHBondContact O-CB 3.45Å; F748-S813 PolarHBondContact O-OG 2.97Å; F748-I814 HydrophobicContact CD1-CD1 4.21Å; F748-I814 HydrophobicContact CD1-CG1 3.64Å; F748-I814 HydrophobicContact CE1-CG1 4.14Å; F748-L821 HydrophobicContact CE1-CD2 4.44Å; F748-L821 HydrophobicContact CZ-CD2 4.31Å; F748-F838 HydrophobicContact CD1-CE1 4.23Å; F748-F838 HydrophobicContact CE1-CE1 4.04Å; F748-F838 HydrophobicContact CE1-CZ 4.17Å; F748-F838 HydrophobicContact CZ-CE1 4.24Å; F748-F838 HydrophobicContact CZ-CZ 4.36Å; F748-I877 HydrophobicContact CD2-CB 4.49Å; F748-I877 HydrophobicContact CD2-CD1 4.03Å; F748-I877 HydrophobicContact CD2-CG2 4.16Å; F748-I877 HydrophobicContact CE2-CD1 4.2Å; F748-I877 HydrophobicContact CE2-CG2 4.49Å
749	V	96.7	Very high	94.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.139	C	C	.	.			trans	-105.5	88.5	178.8	-177.4	0	0	0	0	108.7	V757 N759 W809 S813 I877 N878 T1038	V749-V757 HydrophobicContact CG1-CG1 4.42Å; V749-V757 HydrophobicContact CG1-CG2 4.17Å; V749-N759 PolarHBondContact O-ND2 2.94Å; V749-W809 HydrophobicContact CG1-CB 3.91Å; V749-W809 HydrophobicContact CG1-CG 4.48Å; V749-W809 HydrophobicContact CG2-CB 3.84Å; V749-S813 WeakPolarHBondContact CA-OG 3.04Å; V749-I877 PolarHBondContact N-O 2.88Å; V749-N878 HydrophobicContact CB-CB 3.94Å; V749-N878 WeakPolarHBondContact O-CA 3.18Å; V749-T1038 HydrophobicContact CG1-CG2 4.09Å
750	T	97.5	Very high	94.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-155.1	137.8	-176.4	-176.4	0	0	0	0	109.1	F748 N759 I761 A762 S813 I877	F748-T750 HydrophobicContact CD1-CG2 3.98Å; F748-T750 HydrophobicContact CE1-CG2 3.73Å; F748-T750 HydrophobicContact CE2-CG2 4.36Å; F748-T750 HydrophobicContact CG-CG2 4.41Å; F748-T750 HydrophobicContact CZ-CG2 3.94Å; T750-N759 WeakPolarHBondContact CB-OD1 3.35Å; T750-N759 PolarHBondContact OG1-O 3.47Å; T750-N759 VanDerWaalsContact OG1-O 3.1Å; T750-N759 PolarHBondContact OG1-OD1 2.77Å; T750-I761 HydrophobicContact CG2-CB 4.32Å; T750-I761 HydrophobicContact CG2-CG2 4.31Å; T750-I761 PolarHBondContact OG1-N 2.83Å; T750-A762 HydrophobicContact CG2-CB 3.8Å; T750-A762 PolarHBondContact OG1-N 3.35Å; T750-S813 PolarHBondContact N-OG 2.89Å; T750-S813 WeakPolarHBondContact O-CA 3.12Å; T750-S813 WeakPolarHBondContact O-CB 3.35Å; T750-S813 PolarHBondContact O-OG 3.48Å; T750-I877 HydrophobicContact CG2-CG2 3.65Å
751	M	95.8	Very high	94.6	Very high	6 Å²	6	27 Å²	27	3%	0.03	14%	0.142	C	C	.	.			trans	-139.5	160.1	-168.6	-54.3	-169.7	88.1	0	0	111.3	R754 V757 W809 Q812 H819	M751-R754 HydrophobicContact CB-CB 4.28Å; M751-R754 HydrophobicContact SD-CB 4.43Å; M751-R754 WeakPolarHBondContact SD-CD 3.4Å; M751-R754 HydrophobicContact SD-CG 4.48Å; M751-V757 HydrophobicContact CB-CB 4.33Å; M751-V757 HydrophobicContact CB-CG1 4.43Å; M751-V757 HydrophobicContact CG-CB 4Å; M751-V757 HydrophobicContact CG-CG1 4.09Å; M751-V757 HydrophobicContact CG-CG2 4.06Å; M751-V757 HydrophobicContact SD-CB 4.23Å; M751-V757 HydrophobicContact SD-CG2 3.83Å; M751-W809 HydrophobicContact SD-CE3 4.47Å; M751-W809 HydrophobicContact SD-CZ3 4.26Å; M751-Q812 HydrophobicContact CE-CB 3.75Å; M751-Q812 WeakPolarHBondContact CE-O 3.3Å; M751-H819 HydrophobicContact CB-CB 4.36Å; M751-H819 HydrophobicContact CE-CB 3.85Å
752	L	95.4	Very high	94.6	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-84.9	124.1	170.4	-73.2	79.2	0	0	0	109.5	R754 A762 K763 Y766 H819 L821 N824	L752-R754 PolarHBondContact O-N 3.47Å; L752-A762 HydrophobicContact CD1-CB 3.91Å; L752-K763 HydrophobicContact CD2-CD 4.29Å; L752-K763 HydrophobicContact CG-CD 4.23Å; L752-Y766 HydrophobicContact CD2-CD1 3.83Å; L752-Y766 HydrophobicContact CD2-CD2 3.9Å; L752-Y766 HydrophobicContact CD2-CE1 4.28Å; L752-Y766 HydrophobicContact CD2-CE2 4.35Å; L752-Y766 HydrophobicContact CD2-CG 3.62Å; L752-H819 PolarHBondContact N-O 2.9Å; L752-H819 WeakPolarHBondContact O-CB 3.39Å; L752-H819 PolarHBondContact O-ND1 3.21Å; L752-L821 HydrophobicContact CD1-CD1 4.35Å; L752-N824 HydrophobicContact CD2-CB 3.76Å
753	D	85.6	Confident	94.5	Very high	128 Å²	128	29.8 Å²	29.8	68%	0.684	15%	0.154	S	C	*	.	S	Bend	trans	52.5	44.1	163.5	-50.2	-37.7	0	0	0	115.4	H819	D753-H819 PolarHBondContact O-CE1 3.4Å
754	R	85.1	Confident	94.5	Very high	64 Å²	64	29.9 Å²	29.9	24%	0.242	16%	0.155	C	C	.	.			trans	-116.3	145.1	176.2	-166.1	-175.9	175.4	149.6	2.4	111.9	M751 L752 D756	M751-R754 HydrophobicContact CB-CB 4.28Å; M751-R754 HydrophobicContact SD-CB 4.43Å; M751-R754 WeakPolarHBondContact SD-CD 3.4Å; M751-R754 HydrophobicContact SD-CG 4.48Å; L752-R754 PolarHBondContact O-N 3.47Å; R754-D756 IonicContact CZ-OD2 2.73Å; R754-D756 IonicContact NE-OD2 2.67Å; R754-D756 PolarHBondContact NE-OD2 3.08Å; R754-D756 IonicContact NH2-OD2 2.93Å; R754-D756 PolarHBondContact NH2-OD2 2.92Å
755	T	84.9	Confident	94.5	Very high	109 Å²	109	30 Å²	30	67%	0.669	16%	0.155	S	C	*	.	S	Bend	trans	-71.9	-31.9	179.7	47.8	0	0	0	0	114.8	Q758	T755-Q758 PolarHBondContact O-NE2 2.92Å
756	D	87	Confident	94.5	Very high	60 Å²	60	31.6 Å²	31.6	32%	0.321	16%	0.162	S	C	.	.	S	Bend	trans	-82.2	-18.5	-169.8	-46.1	-27.8	0	0	0	113	R754 W809 T1034 T1038	R754-D756 IonicContact CZ-OD2 2.73Å; R754-D756 IonicContact NE-OD2 2.67Å; R754-D756 PolarHBondContact NE-OD2 3.08Å; R754-D756 IonicContact NH2-OD2 2.93Å; R754-D756 PolarHBondContact NH2-OD2 2.92Å; D756-W809 HydrophobicContact CB-CH2 4.36Å; D756-T1034 HydrophobicContact CB-CG2 4.45Å; D756-T1038 PolarHBondContact O-OG1 2.87Å
757	V	92.9	Very high	94.7	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	17%	0.173	C	C	.	.			trans	-131.7	104	-180	-179.7	0	0	0	0	107.3	V749 M751 W809 D879 T1038	V749-V757 HydrophobicContact CG1-CG1 4.42Å; V749-V757 HydrophobicContact CG1-CG2 4.17Å; M751-V757 HydrophobicContact CB-CB 4.33Å; M751-V757 HydrophobicContact CB-CG1 4.43Å; M751-V757 HydrophobicContact CG-CB 4Å; M751-V757 HydrophobicContact CG-CG1 4.09Å; M751-V757 HydrophobicContact CG-CG2 4.06Å; M751-V757 HydrophobicContact SD-CB 4.23Å; M751-V757 HydrophobicContact SD-CG2 3.83Å; V757-W809 HydrophobicContact CG2-CE3 4.13Å; V757-W809 HydrophobicContact CG2-CZ3 4.05Å; V757-D879 WeakPolarHBondContact CA-OD2 3.24Å; V757-T1038 HydrophobicContact CG2-CG2 3.68Å
758	Q	94.1	Very high	94.8	Very high	99 Å²	99	32.7 Å²	32.7	46%	0.463	17%	0.169	S	C	.	.			trans	-95.8	-14.7	-166.4	-66.5	166.2	17.2	0	0	113.4	T755 D879 L883	T755-Q758 PolarHBondContact O-NE2 2.92Å; Q758-D879 VanDerWaalsContact N-CG 3.29Å; Q758-D879 PolarHBondContact N-OD1 2.99Å; Q758-D879 PolarHBondContact N-OD2 3.5Å; Q758-L883 HydrophobicContact CB-CD1 4Å; Q758-L883 HydrophobicContact CB-CD2 3.88Å
759	N	96.3	Very high	94.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.169	C	C	.	.			trans	-75.2	127.7	177.6	81.4	87	0	0	0	111.8	V749 T750 I761 D879 M882 L883	V749-N759 PolarHBondContact O-ND2 2.94Å; T750-N759 WeakPolarHBondContact CB-OD1 3.35Å; T750-N759 PolarHBondContact OG1-O 3.47Å; T750-N759 VanDerWaalsContact OG1-O 3.1Å; T750-N759 PolarHBondContact OG1-OD1 2.77Å; N759-I761 VanDerWaalsContact C-N 3.34Å; N759-I761 PolarHBondContact O-N 3.33Å; N759-D879 WeakPolarHBondContact CB-OD1 3.36Å; N759-D879 PolarHBondContact N-OD1 3.06Å; N759-D879 PolarHBondContact ND2-N 3.46Å; N759-D879 PolarHBondContact ND2-OD1 3.12Å; N759-M882 HydrophobicContact CB-CB 3.89Å; N759-M882 HydrophobicContact CB-CG 4.4Å; N759-L883 HydrophobicContact CB-CD2 4.45Å
760	S	96.4	Very high	94.9	Very high	43 Å²	43	33.2 Å²	33.2	30%	0.301	17%	0.172	S	C	.	.			trans	-87.1	20.8	-172.2	55.7	0	0	0	0	115.7	H727 V731 K763 A764	H727-S760 PolarHBondContact CE1-OG 3.2Å; H727-S760 PolarHBondContact NE2-N 3.08Å; H727-S760 PolarHBondContact NE2-OG 2.8Å; V731-S760 VanDerWaalsContact CG2-OG 3.31Å; V731-S760 WeakPolarHBondContact CG2-OG 3.4Å; S760-K763 PolarHBondContact O-N 2.93Å; S760-A764 PolarHBondContact O-N 3Å
761	I	98.2	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-42.7	-175	-71	167.3	0	0	0	112	Y730 V731 I734 T750 N759 K763 A764 L765 I877 M882	Y730-I761 HydrophobicContact CD1-CD1 4.34Å; Y730-I761 HydrophobicContact CG-CD1 4.28Å; V731-I761 HydrophobicContact CG2-CG1 4.42Å; I734-I761 HydrophobicContact CD1-CG2 3.98Å; T750-I761 HydrophobicContact CG2-CB 4.32Å; T750-I761 HydrophobicContact CG2-CG2 4.31Å; T750-I761 PolarHBondContact OG1-N 2.83Å; N759-I761 VanDerWaalsContact C-N 3.34Å; N759-I761 PolarHBondContact O-N 3.33Å; I761-K763 VanDerWaalsContact C-N 3.32Å; I761-K763 PolarHBondContact O-N 2.81Å; I761-A764 PolarHBondContact O-N 3.43Å; I761-L765 HydrophobicContact CG2-CD1 4.26Å; I761-L765 WeakPolarHBondContact O-CG 3.17Å; I761-L765 PolarHBondContact O-N 3.35Å; I761-I877 HydrophobicContact CB-CG2 4.29Å; I761-I877 HydrophobicContact CD1-CG1 4.27Å; I761-I877 HydrophobicContact CD1-CG2 4Å; I761-I877 HydrophobicContact CG2-CG2 3.97Å; I761-M882 HydrophobicContact CD1-CE 3.69Å; I761-M882 HydrophobicContact CD1-CG 4Å; I761-M882 HydrophobicContact CD1-SD 3.82Å
762	A	97.9	Very high	95.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-39.5	172.9	0	0	0	0	0	112.2	T750 L752 L765 Y766	T750-A762 HydrophobicContact CG2-CB 3.8Å; T750-A762 PolarHBondContact OG1-N 3.35Å; L752-A762 HydrophobicContact CD1-CB 3.91Å; A762-L765 PolarHBondContact O-N 2.85Å; A762-Y766 WeakPolarHBondContact O-CB 3.37Å; A762-Y766 PolarHBondContact O-N 2.78Å
763	K	97.6	Very high	95.2	Very high	59 Å²	59	39.4 Å²	39.4	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-64.1	-45	177.6	-173.6	62.8	170.2	70.9	0	111.5	L752 S760 I761 L765 Y766 D767	L752-K763 HydrophobicContact CD2-CD 4.29Å; L752-K763 HydrophobicContact CG-CD 4.23Å; S760-K763 PolarHBondContact O-N 2.93Å; I761-K763 VanDerWaalsContact C-N 3.32Å; I761-K763 PolarHBondContact O-N 2.81Å; K763-L765 PolarHBondContact O-N 3.19Å; K763-Y766 HydrophobicContact CD-CD1 4.49Å; K763-Y766 PolarHBondContact O-N 3.2Å; K763-D767 IonicContact NZ-OD1 3.86Å; K763-D767 PolarHBondContact NZ-OD1 2.85Å; K763-D767 IonicContact NZ-OD2 2.65Å; K763-D767 PolarHBondContact NZ-OD2 3.19Å; K763-D767 WeakPolarHBondContact O-CB 3.25Å; K763-D767 VanDerWaalsContact O-CG 3.25Å; K763-D767 PolarHBondContact O-N 3.26Å
764	A	98.3	Very high	95.8	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-42.4	175.4	0	0	0	0	0	112.2	V731 I734 E735 S760 I761 R768	V731-A764 HydrophobicContact CG1-CB 4.24Å; I734-A764 HydrophobicContact CB-CB 4.1Å; I734-A764 HydrophobicContact CD1-CB 4.49Å; I734-A764 VanDerWaalsContact CG2-C 3.46Å; I734-A764 HydrophobicContact CG2-CB 3.73Å; I734-A764 WeakPolarHBondContact CG2-O 3.24Å; E735-A764 HydrophobicContact CG-CB 4.35Å; S760-A764 PolarHBondContact O-N 3Å; I761-A764 PolarHBondContact O-N 3.43Å; A764-R768 VanDerWaalsContact O-CB 3.32Å; A764-R768 WeakPolarHBondContact O-CB 3.05Å; A764-R768 PolarHBondContact O-N 2.99Å
765	L	98.6	Very high	96.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175.2	-73.2	170.2	0	0	0	111.6	I734 I741 F748 I761 A762 K763 R768 I769 V781 L821	I734-L765 HydrophobicContact CD1-CD2 4.28Å; I734-L765 HydrophobicContact CD1-CG 4.24Å; I734-L765 HydrophobicContact CG1-CD2 4.32Å; I734-L765 HydrophobicContact CG2-CD2 3.85Å; I734-L765 HydrophobicContact CG2-CG 4.15Å; I741-L765 HydrophobicContact CD1-CD2 4.1Å; F748-L765 HydrophobicContact CE2-CD1 4.18Å; F748-L765 HydrophobicContact CZ-CD1 3.78Å; I761-L765 HydrophobicContact CG2-CD1 4.26Å; I761-L765 WeakPolarHBondContact O-CG 3.17Å; I761-L765 PolarHBondContact O-N 3.35Å; A762-L765 PolarHBondContact O-N 2.85Å; K763-L765 PolarHBondContact O-N 3.19Å; L765-R768 PolarHBondContact O-N 2.94Å; L765-I769 WeakPolarHBondContact O-CB 2.92Å; L765-I769 WeakPolarHBondContact O-CD1 3.34Å; L765-I769 WeakPolarHBondContact O-CG1 3.37Å; L765-I769 PolarHBondContact O-N 2.88Å; L765-V781 HydrophobicContact CD2-CG1 4.1Å; L765-L821 HydrophobicContact CB-CD1 4.42Å; L765-L821 HydrophobicContact CB-CD2 4.23Å; L765-L821 HydrophobicContact CD1-CD2 4.19Å
766	Y	98.5	Very high	96.8	Very high	34 Å²	34	46.5 Å²	46.5	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-54.6	175.9	169.9	-96.5	0	0	0	111.4	L752 A762 K763 R768 I769 V770 N824 L825 E828	L752-Y766 HydrophobicContact CD2-CD1 3.83Å; L752-Y766 HydrophobicContact CD2-CD2 3.9Å; L752-Y766 HydrophobicContact CD2-CE1 4.28Å; L752-Y766 HydrophobicContact CD2-CE2 4.35Å; L752-Y766 HydrophobicContact CD2-CG 3.62Å; A762-Y766 WeakPolarHBondContact O-CB 3.37Å; A762-Y766 PolarHBondContact O-N 2.78Å; K763-Y766 HydrophobicContact CD-CD1 4.49Å; K763-Y766 PolarHBondContact O-N 3.2Å; Y766-R768 VanDerWaalsContact C-N 3.3Å; Y766-R768 PolarHBondContact O-N 3.4Å; Y766-I769 PolarHBondContact O-N 3.46Å; Y766-V770 HydrophobicContact CD2-CG2 4.03Å; Y766-V770 HydrophobicContact CE1-CG2 4.29Å; Y766-V770 HydrophobicContact CE2-CG2 3.73Å; Y766-V770 HydrophobicContact CG-CG2 4.42Å; Y766-V770 WeakPolarHBondContact O-CB 3.38Å; Y766-V770 VanDerWaalsContact O-CG2 3.32Å; Y766-V770 WeakPolarHBondContact O-CG2 3.31Å; Y766-V770 PolarHBondContact O-N 2.94Å; Y766-N824 HydrophobicContact CD2-CB 3.97Å; Y766-N824 HydrophobicContact CE2-CB 3.79Å; Y766-L825 HydrophobicContact CD2-CD2 3.71Å; Y766-L825 HydrophobicContact CD2-CG 4.07Å; Y766-L825 HydrophobicContact CE2-CD2 4.31Å; Y766-E828 HydrophobicContact CE2-CG 4.43Å; Y766-E828 WeakPolarHBondContact OH-CG 3.41Å
767	D	98.2	Very high	97.2	Very high	64 Å²	64	46.7 Å²	46.7	34%	0.342	22%	0.217	S	C	.	.	H	α-helix	trans	-59.1	-42.8	-178.3	-69.7	-26.9	0	0	0	111.1	K763 Q771	K763-D767 IonicContact NZ-OD1 3.86Å; K763-D767 PolarHBondContact NZ-OD1 2.85Å; K763-D767 IonicContact NZ-OD2 2.65Å; K763-D767 PolarHBondContact NZ-OD2 3.19Å; K763-D767 WeakPolarHBondContact O-CB 3.25Å; K763-D767 VanDerWaalsContact O-CG 3.25Å; K763-D767 PolarHBondContact O-N 3.26Å; D767-Q771 VanDerWaalsContact O-CB 3.31Å; D767-Q771 WeakPolarHBondContact O-CB 3.3Å; D767-Q771 PolarHBondContact O-N 3.05Å
768	R	98.6	Very high	97.3	Very high	9 Å²	9	47.8 Å²	47.8	3%	0.034	23%	0.226	C	C	.	.	H	α-helix	trans	-68.8	-40.7	-179.8	-179.2	60.1	-163.5	106.7	-11.8	113	I734 A737 K738 A764 L765 Y766 Q771 A772 E777 F779	I734-R768 HydrophobicContact CG2-CB 4.36Å; I734-R768 WeakPolarHBondContact O-CG 3.36Å; A737-R768 PolarHBondContact O-NE 3.03Å; A737-R768 PolarHBondContact O-NH2 3.05Å; K738-R768 PolarHBondContact O-NH2 2.91Å; A764-R768 VanDerWaalsContact O-CB 3.32Å; A764-R768 WeakPolarHBondContact O-CB 3.05Å; A764-R768 PolarHBondContact O-N 2.99Å; L765-R768 PolarHBondContact O-N 2.94Å; Y766-R768 VanDerWaalsContact C-N 3.3Å; Y766-R768 PolarHBondContact O-N 3.4Å; R768-Q771 PolarHBondContact O-N 3.3Å; R768-A772 PolarHBondContact O-N 3.24Å; R768-E777 IonicContact CZ-OE2 3.72Å; R768-E777 IonicContact NH1-OE2 3.11Å; R768-E777 PolarHBondContact NH1-OE2 2.71Å; R768-E777 VanDerWaalsContact NH1-OE2 3.15Å; R768-E777 IonicContact NH2-OE2 3.78Å; R768-E777 PolarHBondContact NH2-OE2 3.04Å; R768-F779 HydrophobicContact CG-CE1 3.71Å; R768-F779 HydrophobicContact CG-CE2 4.16Å; R768-F779 HydrophobicContact CG-CZ 3.48Å; R768-F779 VanDerWaalsContact CG-CZ 3.48Å
769	I	98.6	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-46.5	176.7	-69.7	165.7	0	0	0	110.3	L765 Y766 Q771 A772 H773 F779 V781 L825 I829 Y835 I836	L765-I769 WeakPolarHBondContact O-CB 2.92Å; L765-I769 WeakPolarHBondContact O-CD1 3.34Å; L765-I769 WeakPolarHBondContact O-CG1 3.37Å; L765-I769 PolarHBondContact O-N 2.88Å; Y766-I769 PolarHBondContact O-N 3.46Å; I769-Q771 VanDerWaalsContact C-N 3.29Å; I769-Q771 PolarHBondContact O-N 3.19Å; I769-A772 WeakPolarHBondContact O-CB 3.48Å; I769-A772 PolarHBondContact O-N 3.15Å; I769-A772 VanDerWaalsContact O-N 3.07Å; I769-H773 PolarHBondContact O-N 2.93Å; I769-F779 HydrophobicContact CG1-CD1 4.3Å; I769-F779 HydrophobicContact CG1-CE1 4.23Å; I769-V781 HydrophobicContact CD1-CG2 4.03Å; I769-V781 HydrophobicContact CG1-CG2 4.06Å; I769-L825 HydrophobicContact CB-CD2 3.96Å; I769-L825 HydrophobicContact CD1-CD1 3.97Å; I769-L825 HydrophobicContact CG2-CD1 4.43Å; I769-L825 HydrophobicContact CG2-CD2 3.63Å; I769-I829 HydrophobicContact CG2-CD1 3.66Å; I769-Y835 HydrophobicContact CG2-CD1 4.33Å; I769-Y835 HydrophobicContact CG2-CD2 4.32Å; I769-Y835 HydrophobicContact CG2-CG 3.84Å; I769-I836 HydrophobicContact CD1-CB 4.1Å; I769-I836 HydrophobicContact CD1-CD1 4.23Å; I769-I836 HydrophobicContact CD1-CG2 4.39Å
770	V	98.3	Very high	97.6	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-37.5	176.9	171	0	0	0	0	111.1	Y766 H773 K774 L825 E828	Y766-V770 HydrophobicContact CD2-CG2 4.03Å; Y766-V770 HydrophobicContact CE1-CG2 4.29Å; Y766-V770 HydrophobicContact CE2-CG2 3.73Å; Y766-V770 HydrophobicContact CG-CG2 4.42Å; Y766-V770 WeakPolarHBondContact O-CB 3.38Å; Y766-V770 VanDerWaalsContact O-CG2 3.32Å; Y766-V770 WeakPolarHBondContact O-CG2 3.31Å; Y766-V770 PolarHBondContact O-N 2.94Å; V770-H773 PolarHBondContact O-N 2.98Å; V770-K774 HydrophobicContact CG1-CD 3.82Å; V770-K774 HydrophobicContact CG1-CG 4.44Å; V770-K774 WeakPolarHBondContact O-CB 3.31Å; V770-K774 WeakPolarHBondContact O-CG 3.49Å; V770-K774 PolarHBondContact O-N 2.8Å; V770-L825 HydrophobicContact CG2-CD2 4Å; V770-E828 HydrophobicContact CG1-CG 4.49Å; V770-E828 HydrophobicContact CG2-CB 4.08Å; V770-E828 HydrophobicContact CG2-CG 4.19Å
771	Q	98.1	Very high	97.7	Very high	78 Å²	78	42.1 Å²	42.1	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-60.3	-47.2	170.5	177.1	-177.3	-57.6	0	0	111.9	D767 R768 I769 H773 K774 K775	D767-Q771 VanDerWaalsContact O-CB 3.31Å; D767-Q771 WeakPolarHBondContact O-CB 3.3Å; D767-Q771 PolarHBondContact O-N 3.05Å; R768-Q771 PolarHBondContact O-N 3.3Å; I769-Q771 VanDerWaalsContact C-N 3.29Å; I769-Q771 PolarHBondContact O-N 3.19Å; Q771-H773 VanDerWaalsContact C-N 3.31Å; Q771-H773 PolarHBondContact O-N 3.41Å; Q771-K774 PolarHBondContact O-N 3.11Å; Q771-K775 HydrophobicContact CG-CD 3.94Å; Q771-K775 VanDerWaalsContact NE2-NZ 3.11Å; Q771-K775 WeakPolarHBondContact O-CB 3.42Å; Q771-K775 WeakPolarHBondContact O-CG 3.47Å; Q771-K775 PolarHBondContact O-N 2.86Å
772	A	97.9	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-43.8	178.9	0	0	0	0	0	111	R768 I769 K775 K776 E777 F779 Y835	R768-A772 PolarHBondContact O-N 3.24Å; I769-A772 WeakPolarHBondContact O-CB 3.48Å; I769-A772 PolarHBondContact O-N 3.15Å; I769-A772 VanDerWaalsContact O-N 3.07Å; A772-K775 CarbonylContact O-C 3.5Å; A772-K775 PolarHBondContact O-N 3Å; A772-K776 PolarHBondContact O-N 3.46Å; A772-E777 HydrophobicContact CB-CB 4.18Å; A772-E777 PolarHBondContact O-N 2.78Å; A772-F779 HydrophobicContact CB-CB 3.42Å; A772-F779 VanDerWaalsContact CB-CB 3.42Å; A772-F779 HydrophobicContact CB-CD1 4.24Å; A772-F779 HydrophobicContact CB-CG 3.95Å; A772-Y835 HydrophobicContact CB-CD1 4.39Å; A772-Y835 HydrophobicContact CB-CE1 4.14Å
773	H	97.9	Very high	97.8	Very high	63 Å²	63	42.1 Å²	42.1	29%	0.292	19%	0.194	S	C	.	.	H	α-helix	trans	-60.9	-51.6	177.6	-173.7	65.6	0	0	0	112.4	I769 V770 Q771 K775 K776 I829 Y835	I769-H773 PolarHBondContact O-N 2.93Å; V770-H773 PolarHBondContact O-N 2.98Å; Q771-H773 VanDerWaalsContact C-N 3.31Å; Q771-H773 PolarHBondContact O-N 3.41Å; H773-K775 PolarHBondContact O-N 2.98Å; H773-K776 PolarHBondContact O-N 2.71Å; H773-I829 HydrophobicContact CB-CD1 3.72Å; H773-I829 HydrophobicContact CB-CG1 4.07Å; H773-Y835 WeakPolarHBondContact CA-OH 3.39Å; H773-Y835 HydrophobicContact CB-CE1 4.47Å; H773-Y835 HydrophobicContact CB-CE2 4.14Å; H773-Y835 AromaticContact ND1-CE2 3.53Å; H773-Y835 AromaticContact ND1-CZ 3.59Å; H773-Y835 PolarHBondContact ND1-OH 2.66Å
774	K	97.5	Very high	97.8	Very high	137 Å²	137	39.3 Å²	39.3	60%	0.596	18%	0.182	S	C	*	.	H	α-helix	trans	-61.5	-30.2	179.2	-73.2	174	179.8	169.1	0	113	V770 Q771 E828	V770-K774 HydrophobicContact CG1-CD 3.82Å; V770-K774 HydrophobicContact CG1-CG 4.44Å; V770-K774 WeakPolarHBondContact O-CB 3.31Å; V770-K774 WeakPolarHBondContact O-CG 3.49Å; V770-K774 PolarHBondContact O-N 2.8Å; Q771-K774 PolarHBondContact O-N 3.11Å; K774-E828 WeakPolarHBondContact CE-OE2 3.48Å; K774-E828 IonicContact NZ-OE2 2.67Å; K774-E828 PolarHBondContact NZ-OE2 3.46Å
775	K	97.2	Very high	97.8	Very high	119 Å²	119	39.3 Å²	39.3	52%	0.517	18%	0.182	S	C	.	.	H	α-helix	trans	-89.8	-4.1	175.1	-66.3	179.7	179.3	176.4	0	114.5	Q771 A772 H773 E777	Q771-K775 HydrophobicContact CG-CD 3.94Å; Q771-K775 VanDerWaalsContact NE2-NZ 3.11Å; Q771-K775 WeakPolarHBondContact O-CB 3.42Å; Q771-K775 WeakPolarHBondContact O-CG 3.47Å; Q771-K775 PolarHBondContact O-N 2.86Å; A772-K775 CarbonylContact O-C 3.5Å; A772-K775 PolarHBondContact O-N 3Å; H773-K775 PolarHBondContact O-N 2.98Å; K775-E777 HydrophobicContact CB-CG 3.76Å; K775-E777 WeakPolarHBondContact CD-OE1 3.46Å; K775-E777 IonicContact NZ-OE1 2.72Å; K775-E777 PolarHBondContact O-N 3.07Å
776	K	95.5	Very high	97.6	Very high	194 Å²	194	39.7 Å²	39.7	84%	0.843	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	34	-171.7	-55.4	-177.8	179.8	-178.1	0	113.2	A772 H773	A772-K776 PolarHBondContact O-N 3.46Å; H773-K776 PolarHBondContact O-N 2.71Å
777	E	94.9	Very high	97.4	Very high	63 Å²	63	38.3 Å²	38.3	29%	0.294	18%	0.179	S	C	.	.			trans	-77.1	140.9	175	-69.2	169.9	178.2	0	0	110.6	R768 A772 K775 F779	R768-E777 IonicContact CZ-OE2 3.72Å; R768-E777 IonicContact NH1-OE2 3.11Å; R768-E777 PolarHBondContact NH1-OE2 2.71Å; R768-E777 VanDerWaalsContact NH1-OE2 3.15Å; R768-E777 IonicContact NH2-OE2 3.78Å; R768-E777 PolarHBondContact NH2-OE2 3.04Å; A772-E777 HydrophobicContact CB-CB 4.18Å; A772-E777 PolarHBondContact O-N 2.78Å; K775-E777 HydrophobicContact CB-CG 3.76Å; K775-E777 WeakPolarHBondContact CD-OE1 3.46Å; K775-E777 IonicContact NZ-OE1 2.72Å; K775-E777 PolarHBondContact O-N 3.07Å; E777-F779 PolarHBondContact O-N 2.87Å
778	A	94.4	Very high	97.1	Very high	27 Å²	27	35.8 Å²	35.8	22%	0.223	17%	0.165	C	C	.	.			trans	-72	111.5	165.1	0	0	0	0	0	109	N905	A778-N905 HydrophobicContact CB-CB 4.17Å; A778-N905 VanDerWaalsContact CB-CG 3.46Å; A778-N905 VanDerWaalsContact CB-ND2 3.34Å; A778-N905 WeakPolarHBondContact CB-ND2 3.44Å
779	F	98.1	Very high	96.5	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	17%	0.166	C	C	.	.			trans	-140.3	132.1	-179	-170.2	-104	0	0	0	110.5	A737 H739 I741 R768 I769 A772 E777 V781 Y835	A737-F779 HydrophobicContact CB-CE2 3.81Å; A737-F779 HydrophobicContact CB-CZ 3.87Å; H739-F779 WeakPolarHBondContact O-CA 3.39Å; I741-F779 HydrophobicContact CD1-CE1 4.31Å; I741-F779 HydrophobicContact CD1-CZ 3.7Å; I741-F779 HydrophobicContact CG1-CZ 3.87Å; R768-F779 HydrophobicContact CG-CE1 3.71Å; R768-F779 HydrophobicContact CG-CE2 4.16Å; R768-F779 HydrophobicContact CG-CZ 3.48Å; R768-F779 VanDerWaalsContact CG-CZ 3.48Å; I769-F779 HydrophobicContact CG1-CD1 4.3Å; I769-F779 HydrophobicContact CG1-CE1 4.23Å; A772-F779 HydrophobicContact CB-CB 3.42Å; A772-F779 VanDerWaalsContact CB-CB 3.42Å; A772-F779 HydrophobicContact CB-CD1 4.24Å; A772-F779 HydrophobicContact CB-CG 3.95Å; E777-F779 PolarHBondContact O-N 2.87Å; F779-V781 HydrophobicContact CD1-CG2 4.06Å; F779-V781 HydrophobicContact CE1-CG2 3.51Å; F779-V781 HydrophobicContact CZ-CG2 4.34Å; F779-Y835 HydrophobicContact CB-CD1 4.39Å; F779-Y835 WeakPolarHBondContact O-CD1 3.39Å
780	R	98.4	Very high	95.6	Very high	22 Å²	22	36.7 Å²	36.7	8%	0.083	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.1	-173	-56.1	-61.5	174.8	-115.1	12.3	112	H739 Y740 I741 Y782 Q834 Y835 S943 E945 F948	H739-R780 PolarHBondContact O-N 3.45Å; H739-R780 VanDerWaalsContact O-N 3.11Å; Y740-R780 CarbonylContact C-O 3.56Å; Y740-R780 WeakPolarHBondContact CA-O 3.02Å; Y740-R780 WeakPolarHBondContact CB-O 3.35Å; I741-R780 PolarHBondContact N-O 2.67Å; R780-Y782 HydrophobicContact CB-CE2 3.96Å; R780-Q834 PolarHBondContact NH1-O 3.37Å; R780-Y835 CarbonylContact C-O 3.6Å; R780-Y835 WeakPolarHBondContact CA-O 3.39Å; R780-S943 WeakPolarHBondContact CG-O 3.49Å; R780-E945 IonicContact CZ-OE2 3.85Å; R780-E945 IonicContact NE-OE2 2.71Å; R780-E945 IonicContact NH2-OE2 3.19Å; R780-E945 PolarHBondContact NH2-OE2 2.64Å; R780-F948 HydrophobicContact CB-CD2 4.26Å; R780-F948 HydrophobicContact CB-CE2 4.35Å; R780-F948 HydrophobicContact CG-CB 4.45Å; R780-F948 HydrophobicContact CG-CD2 4.23Å; R780-F948 HydrophobicContact CG-CG 4.24Å
781	V	98.7	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.5	178.6	-176.3	0	0	0	0	109.3	I741 L765 I769 F779 V783 Y835 I836 I837	I741-V781 HydrophobicContact CB-CG1 4.45Å; I741-V781 HydrophobicContact CB-CG2 4.39Å; I741-V781 WeakPolarHBondContact O-CA 3.29Å; L765-V781 HydrophobicContact CD2-CG1 4.1Å; I769-V781 HydrophobicContact CD1-CG2 4.03Å; I769-V781 HydrophobicContact CG1-CG2 4.06Å; F779-V781 HydrophobicContact CD1-CG2 4.06Å; F779-V781 HydrophobicContact CE1-CG2 3.51Å; F779-V781 HydrophobicContact CZ-CG2 4.34Å; V781-V783 HydrophobicContact CG1-CG2 3.93Å; V781-Y835 PolarHBondContact N-O 3.04Å; V781-I836 HydrophobicContact CB-CB 4.09Å; V781-I836 HydrophobicContact CB-CD1 4.28Å; V781-I836 HydrophobicContact CB-CG1 3.95Å; V781-I836 HydrophobicContact CG1-CD1 3.9Å; V781-I836 HydrophobicContact CG1-CG1 3.96Å; V781-I836 WeakPolarHBondContact O-CA 3.02Å; V781-I837 PolarHBondContact O-N 3.09Å
782	Y	98.7	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.4	176.1	-56.3	-93.2	0	0	0	108.6	Y740 I741 Y742 I743 R780 I837 P942 F947 F948 W951	Y740-Y782 HydrophobicContact CD2-CD2 4.28Å; Y740-Y782 HydrophobicContact CD2-CE2 4.27Å; I741-Y782 PolarHBondContact O-N 3.15Å; Y742-Y782 HydrophobicContact CD2-CG 4.28Å; I743-Y782 PolarHBondContact N-O 2.97Å; R780-Y782 HydrophobicContact CB-CE2 3.96Å; Y782-I837 HydrophobicContact CD1-CG2 4.03Å; Y782-P942 WeakPolarHBondContact CE2-O 2.98Å; Y782-P942 PolarHBondContact OH-O 2.91Å; Y782-F947 HydrophobicContact CE1-CE1 4.46Å; Y782-F947 WeakPolarHBondContact OH-CD1 3.32Å; Y782-F948 HydrophobicContact CD1-CD2 4.46Å; Y782-F948 HydrophobicContact CD1-CE2 4.34Å; Y782-F948 AromaticContact CE1-CD2 3.6Å; Y782-F948 HydrophobicContact CE1-CD2 3.6Å; Y782-F948 AromaticContact CE1-CE2 3.92Å; Y782-F948 HydrophobicContact CE1-CE2 3.92Å; Y782-F948 AromaticContact CZ-CD2 3.68Å; Y782-W951 HydrophobicContact CD1-CD2 4.07Å; Y782-W951 AromaticContact CD1-CE2 3.86Å; Y782-W951 HydrophobicContact CD1-CG 4.22Å; Y782-W951 HydrophobicContact CD1-CZ2 4.4Å; Y782-W951 AromaticContact CD1-NE1 3.82Å; Y782-W951 HydrophobicContact CE1-CB 4.36Å; Y782-W951 AromaticContact CE1-CD2 3.94Å; Y782-W951 HydrophobicContact CE1-CD2 3.94Å; Y782-W951 HydrophobicContact CE1-CE3 4.48Å; Y782-W951 AromaticContact CE1-CG 3.87Å; Y782-W951 HydrophobicContact CE1-CG 3.87Å
783	V	98.7	Very high	92.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.2	176.3	-169.7	0	0	0	0	109.2	I743 F748 V781 L785 I836 I837 F838 C839	I743-V783 HydrophobicContact CB-CG1 4.5Å; I743-V783 HydrophobicContact CG2-CG1 4.42Å; F748-V783 HydrophobicContact CD2-CG1 3.94Å; F748-V783 HydrophobicContact CE2-CG1 3.96Å; V781-V783 HydrophobicContact CG1-CG2 3.93Å; V783-L785 HydrophobicContact CG1-CD1 4.44Å; V783-L785 HydrophobicContact CG1-CD2 3.95Å; V783-L785 HydrophobicContact CG1-CG 4.06Å; V783-I836 HydrophobicContact CG2-CD1 4.13Å; V783-I836 HydrophobicContact CG2-CG1 4.36Å; V783-I837 PolarHBondContact N-O 2.68Å; V783-F838 HydrophobicContact CB-CD1 3.71Å; V783-F838 HydrophobicContact CB-CE1 3.78Å; V783-F838 HydrophobicContact CB-CG 4.39Å; V783-F838 HydrophobicContact CB-CZ 4.48Å; V783-F838 HydrophobicContact CG1-CD1 3.83Å; V783-F838 HydrophobicContact CG1-CE1 3.72Å; V783-F838 HydrophobicContact CG2-CD1 4.39Å; V783-F838 HydrophobicContact CG2-CE1 4.03Å; V783-F838 HydrophobicContact CG2-CZ 4.3Å; V783-F838 CarbonylContact O-C 3.57Å; V783-F838 WeakPolarHBondContact O-CA 3.1Å; V783-C839 PolarHBondContact O-N 3.31Å
784	L	98.5	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	121.5	179.3	-81.9	73.8	0	0	0	109.7	Y742 I743 E744 N745 C839 I858 W951 L1008	Y742-L784 HydrophobicContact CD2-CD1 4.44Å; Y742-L784 HydrophobicContact CE2-CD1 3.8Å; Y742-L784 HydrophobicContact CE2-CD2 4.35Å; I743-L784 PolarHBondContact O-N 2.88Å; E744-L784 WeakPolarHBondContact CA-O 3.47Å; E744-L784 HydrophobicContact CG-CB 3.46Å; E744-L784 VanDerWaalsContact CG-CB 3.46Å; E744-L784 HydrophobicContact CG-CD2 4.21Å; E744-L784 HydrophobicContact CG-CG 4.42Å; N745-L784 PolarHBondContact N-O 2.71Å; N745-L784 VanDerWaalsContact N-O 3.15Å; L784-C839 WeakPolarHBondContact CA-O 3.38Å; L784-C839 HydrophobicContact CD1-CB 4.09Å; L784-C839 HydrophobicContact CG-CB 3.89Å; L784-I858 HydrophobicContact CB-CD1 3.88Å; L784-W951 HydrophobicContact CD1-CZ2 4.05Å; L784-W951 HydrophobicContact CD2-CZ2 4.44Å; L784-L1008 HydrophobicContact CD2-CD1 4.4Å
785	L	97.7	Very high	90	Very high	3 Å²	3	38 Å²	38	2%	0.016	19%	0.187	C	C	.	.			trans	-126.3	154.3	-176.1	-55.4	178.7	0	0	0	109.8	N745 F748 V783 T810 I814 F838 C839 S840 F1011	N745-L785 HydrophobicContact CB-CD2 4.5Å; N745-L785 WeakPolarHBondContact O-CD2 3.48Å; F748-L785 HydrophobicContact CB-CD1 3.67Å; F748-L785 HydrophobicContact CB-CD2 3.77Å; F748-L785 HydrophobicContact CB-CG 4.4Å; F748-L785 HydrophobicContact CD2-CD2 4.36Å; F748-L785 HydrophobicContact CG-CD1 4.29Å; F748-L785 HydrophobicContact CG-CD2 4.42Å; V783-L785 HydrophobicContact CG1-CD1 4.44Å; V783-L785 HydrophobicContact CG1-CD2 3.95Å; V783-L785 HydrophobicContact CG1-CG 4.06Å; L785-T810 HydrophobicContact CD1-CG2 4.48Å; L785-I814 HydrophobicContact CD1-CD1 3.54Å; L785-F838 HydrophobicContact CD1-CD1 4.09Å; L785-F838 HydrophobicContact CD1-CE1 4.46Å; L785-C839 PolarHBondContact N-O 2.93Å; L785-C839 VanDerWaalsContact N-O 3.08Å; L785-S840 WeakPolarHBondContact O-CB 3.37Å; L785-S840 PolarHBondContact O-OG 3.12Å; L785-F1011 HydrophobicContact CB-CD2 4.09Å; L785-F1011 HydrophobicContact CB-CE2 4.08Å
786	P	95	Very high	88.7	Confident	8 Å²	8	34.3 Å²	34.3	5%	0.052	18%	0.183	C	C	.	.			trans	-66.5	135.3	172.1	28.3	-33.7	0	0	0	110.5	N745 Q746 L788 Y857 I858	N745-P786 WeakPolarHBondContact O-CD 3.45Å; Q746-P786 WeakPolarHBondContact O-CD 3.06Å; Q746-P786 VanDerWaalsContact O-CG 3.3Å; Q746-P786 WeakPolarHBondContact O-CG 3.24Å; P786-L788 PolarHBondContact O-N 3.17Å; P786-L788 VanDerWaalsContact O-N 3.11Å; P786-Y857 HydrophobicContact CB-CD2 3.41Å; P786-Y857 VanDerWaalsContact CB-CD2 3.41Å; P786-Y857 HydrophobicContact CB-CE2 3.39Å; P786-Y857 HydrophobicContact CB-CG 4.43Å; P786-Y857 HydrophobicContact CG-CD2 4.21Å; P786-Y857 HydrophobicContact CG-CE2 3.68Å; P786-I858 HydrophobicContact CB-CB 4.36Å
787	L	94	Very high	87.7	Confident	5 Å²	5	28 Å²	28	3%	0.026	16%	0.16	C	C	.	.	S	Bend	trans	-53.9	-34	-179.1	-78.5	-177.7	0	0	0	113.2	S840 R842 L855 P970 V1009 F1011	L787-S840 VanDerWaalsContact CD2-CB 3.43Å; L787-S840 WeakPolarHBondContact CG-OG 3.34Å; L787-S840 PolarHBondContact N-OG 3.14Å; L787-S840 VanDerWaalsContact N-OG 3.09Å; L787-R842 VanDerWaalsContact CD1-NH2 3.28Å; L787-L855 HydrophobicContact CB-CB 4.25Å; L787-L855 HydrophobicContact CB-CD2 3.88Å; L787-L855 HydrophobicContact CD1-CB 4.16Å; L787-P970 HydrophobicContact CB-CG 4.08Å; L787-P970 HydrophobicContact CD2-CG 4.24Å; L787-P970 WeakPolarHBondContact O-CG 3.46Å; L787-V1009 HydrophobicContact CD1-CG2 4.3Å; L787-V1009 HydrophobicContact CD2-CG2 4.34Å; L787-F1011 HydrophobicContact CD2-CD2 4.48Å
788	L	91.4	Very high	86.3	Confident	12 Å²	12	31.4 Å²	31.4	6%	0.063	19%	0.186	C	C	.	.	S	Bend	trans	-135.9	146.7	172.8	-65.4	172.9	0	0	0	109.9	I625 P786 V795 L803 L807 L855 Y857 P970	I625-L788 HydrophobicContact CD1-CB 4.08Å; P786-L788 PolarHBondContact O-N 3.17Å; P786-L788 VanDerWaalsContact O-N 3.11Å; L788-V795 HydrophobicContact CD2-CG2 4.23Å; L788-L803 HydrophobicContact CD2-CD2 4.47Å; L788-L807 HydrophobicContact CD2-CD1 4.12Å; L788-L807 HydrophobicContact CD2-CD2 4.5Å; L788-L855 HydrophobicContact CB-CD2 4.03Å; L788-L855 HydrophobicContact CD1-CD2 4.42Å; L788-L855 HydrophobicContact CG-CD2 4.28Å; L788-Y857 WeakPolarHBondContact O-CE2 3.13Å; L788-P970 HydrophobicContact CD2-CB 4.42Å; L788-P970 HydrophobicContact CD2-CG 4.15Å; L788-P970 HydrophobicContact CG-CG 4.42Å
789	P	87.4	Confident	85.2	Confident	7 Å²	7	32.5 Å²	32.5	5%	0.045	20%	0.2	C	C	.	.			trans	-56.7	139.3	168.2	-25.8	35.7	0	0	0	112.2	F791 L803 V806 L807	P789-F791 VanDerWaalsContact C-N 3.25Å; P789-F791 HydrophobicContact CB-CD2 3.75Å; P789-F791 HydrophobicContact CB-CE2 4.1Å; P789-F791 PolarHBondContact O-N 3.14Å; P789-L803 HydrophobicContact CB-CG 4.35Å; P789-L803 HydrophobicContact CG-CG 4.48Å; P789-V806 HydrophobicContact CB-CB 4.09Å; P789-V806 HydrophobicContact CB-CG1 3.94Å; P789-V806 HydrophobicContact CG-CB 3.81Å; P789-V806 HydrophobicContact CG-CG1 3.58Å; P789-L807 HydrophobicContact CG-CD2 4.11Å; P789-L807 HydrophobicContact CG-CG 4.08Å
790	G	78.4	Confident	84.2	Confident	20 Å²	20	32.4 Å²	32.4	21%	0.206	20%	0.199	C	C	.	.	S	Bend	trans	-80.7	61.4	-176.2	0	0	0	0	0	113.5	Y857	G790-Y857 PolarHBondContact N-OH 3.43Å; G790-Y857 VanDerWaalsContact N-OH 3.17Å
791	F	77.2	Confident	83.4	Confident	80 Å²	80	32.3 Å²	32.3	35%	0.351	20%	0.202	S	C	.	.			trans	-121.6	144.6	174.4	-64.3	-85.5	0	0	0	109.9	F624 F747 P789 G793 A802 L803 V806	F624-F791 CarbonylContact O-C 3.58Å; F747-F791 HydrophobicContact CE1-CE2 4.47Å; F747-F791 HydrophobicContact CZ-CE2 4.48Å; P789-F791 VanDerWaalsContact C-N 3.25Å; P789-F791 HydrophobicContact CB-CD2 3.75Å; P789-F791 HydrophobicContact CB-CE2 4.1Å; P789-F791 PolarHBondContact O-N 3.14Å; F791-G793 PolarHBondContact O-N 3.13Å; F791-A802 HydrophobicContact CD1-CB 4.36Å; F791-A802 HydrophobicContact CG-CB 4.36Å; F791-L803 HydrophobicContact CB-CB 4.39Å; F791-V806 HydrophobicContact CE2-CG2 3.94Å
792	E	75.4	Confident	82.5	Confident	97 Å²	97	33.4 Å²	33.4	45%	0.453	21%	0.211	S	C	.	.	S	Bend	trans	-59.4	135	175.5	177.2	175.2	166.1	0	0	110.5	F624 D628	F624-E792 WeakPolarHBondContact O-CA 3.42Å; F624-E792 PolarHBondContact O-N 2.82Å; F624-E792 VanDerWaalsContact O-N 3.13Å; D628-E792 HydrophobicContact CB-CB 4.17Å; D628-E792 WeakPolarHBondContact CB-OE2 3.48Å; D628-E792 PolarHBondContact N-OE2 2.93Å
793	G	70.8	Confident	81.9	Confident	15 Å²	15	33.4 Å²	33.4	16%	0.155	21%	0.211	C	C	.	.	S	Bend	trans	133.9	173.3	168	0	0	0	0	0	113.8	I625 F791	I625-G793 PolarHBondContact O-N 2.87Å; F791-G793 PolarHBondContact O-N 3.13Å
794	Q	75.1	Confident	81.4	Confident	114 Å²	114	34.8 Å²	34.8	53%	0.533	22%	0.217	S	C	.	.			trans	-109.9	134	177	-62.6	-169.3	23	0	0	111.1	G796 T797	Q794-G796 PolarHBondContact O-N 2.82Å; Q794-T797 HydrophobicContact CB-CG2 3.84Å; Q794-T797 PolarHBondContact N-OG1 3.05Å; Q794-T797 WeakPolarHBondContact O-CB 3.25Å; Q794-T797 PolarHBondContact O-N 2.9Å; Q794-T797 PolarHBondContact O-OG1 2.84Å
795	V	74.5	Confident	80.9	Confident	11 Å²	11	34.8 Å²	34.8	7%	0.067	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	124.9	171.1	-174.5	0	0	0	0	110.1	L788 L803 L807 F977 F1015 L1016	L788-V795 HydrophobicContact CD2-CG2 4.23Å; V795-L803 HydrophobicContact CG2-CD2 3.55Å; V795-L807 HydrophobicContact CG2-CD1 4.38Å; V795-F977 HydrophobicContact CG1-CD1 4.29Å; V795-F977 HydrophobicContact CG1-CE1 3.82Å; V795-F1015 HydrophobicContact CG1-CE1 4.34Å; V795-F1015 HydrophobicContact CG1-CZ 4.16Å; V795-L1016 HydrophobicContact CG1-CD1 3.23Å
796	G	70	Confident	80.5	Confident	41 Å²	41	35 Å²	35	42%	0.423	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	4.4	-177.8	0	0	0	0	0	115.2	Q794	Q794-G796 PolarHBondContact O-N 2.82Å
797	T	74.8	Confident	80.4	Confident	61 Å²	61	34.8 Å²	34.8	37%	0.374	22%	0.217	S	C	.	.	S	Bend	trans	-109.8	159	172.4	69.9	0	0	0	0	111.1	Q794 G799 G800 Q804	Q794-T797 HydrophobicContact CB-CG2 3.84Å; Q794-T797 PolarHBondContact N-OG1 3.05Å; Q794-T797 WeakPolarHBondContact O-CB 3.25Å; Q794-T797 PolarHBondContact O-N 2.9Å; Q794-T797 PolarHBondContact O-OG1 2.84Å; T797-G799 PolarHBondContact O-N 3.45Å; T797-G800 PolarHBondContact O-N 3.25Å; T797-G800 PolarHBondContact OG1-N 2.6Å; T797-Q804 PolarHBondContact O-NE2 2.91Å
798	T	65.6	Low	80.4	Confident	136 Å²	136	36.4 Å²	36.4	83%	0.834	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-60.8	-30.6	175.9	47.6	0	0	0	0	113.1	G800	T798-G800 VanDerWaalsContact C-N 3.31Å
799	G	70.6	Confident	80.5	Confident	49 Å²	49	36.4 Å²	36.4	51%	0.505	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-72.1	-21.5	173.7	0	0	0	0	0	113.9	T797	T797-G799 PolarHBondContact O-N 3.45Å
800	G	77.1	Confident	80.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-94.5	22.6	-179.8	0	0	0	0	0	114.6	T797 T798 L803 Q804	T797-G800 PolarHBondContact O-N 3.25Å; T797-G800 PolarHBondContact OG1-N 2.6Å; T798-G800 VanDerWaalsContact C-N 3.31Å; G800-L803 PolarHBondContact O-N 2.68Å; G800-Q804 VanDerWaalsContact C-NE2 3.34Å; G800-Q804 WeakPolarHBondContact O-CG 3.17Å; G800-Q804 PolarHBondContact O-N 2.65Å; G800-Q804 PolarHBondContact O-NE2 3.06Å
801	S	82	Confident	81.7	Confident	19 Å²	19	36 Å²	36	13%	0.133	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-43.2	-175.3	54.6	0	0	0	0	113	L803 Q804 A805 E1029	S801-L803 VanDerWaalsContact C-N 3.34Å; S801-L803 PolarHBondContact O-N 2.73Å; S801-Q804 PolarHBondContact O-N 3.29Å; S801-A805 WeakPolarHBondContact O-CB 3.41Å; S801-A805 PolarHBondContact O-N 2.9Å; S801-E1029 WeakPolarHBondContact CB-OE2 3.4Å; S801-E1029 PolarHBondContact OG-OE2 3.3Å
802	A	80.7	Confident	82.6	Confident	23 Å²	23	33.4 Å²	33.4	19%	0.19	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-39.7	175.6	0	0	0	0	0	112.3	F791 A805 V806 E1029	F791-A802 HydrophobicContact CD1-CB 4.36Å; F791-A802 HydrophobicContact CG-CB 4.36Å; A802-A805 WeakPolarHBondContact O-CB 3.23Å; A802-A805 PolarHBondContact O-N 3.17Å; A802-V806 PolarHBondContact O-N 3.03Å; A802-E1029 HydrophobicContact CB-CG 4.29Å
803	L	84.5	Confident	83.6	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-44.6	174.6	-171.4	164.2	0	0	0	110.8	I625 L788 P789 F791 V795 G800 S801 V806 L807	I625-L803 HydrophobicContact CG2-CD1 4.43Å; L788-L803 HydrophobicContact CD2-CD2 4.47Å; P789-L803 HydrophobicContact CB-CG 4.35Å; P789-L803 HydrophobicContact CG-CG 4.48Å; F791-L803 HydrophobicContact CB-CB 4.39Å; V795-L803 HydrophobicContact CG2-CD2 3.55Å; G800-L803 PolarHBondContact O-N 2.68Å; S801-L803 VanDerWaalsContact C-N 3.34Å; S801-L803 PolarHBondContact O-N 2.73Å; L803-V806 PolarHBondContact O-N 2.99Å; L803-L807 HydrophobicContact CD2-CD1 3.53Å; L803-L807 HydrophobicContact CD2-CG 4.03Å; L803-L807 WeakPolarHBondContact O-CG 3.34Å; L803-L807 PolarHBondContact O-N 3.36Å
804	Q	89.2	Confident	84.9	Confident	29 Å²	29	28.1 Å²	28.1	14%	0.136	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-43.2	174.9	-76.1	163	75.4	0	0	112.4	T797 G800 S801 V806 L807 Y808	T797-Q804 PolarHBondContact O-NE2 2.91Å; G800-Q804 VanDerWaalsContact C-NE2 3.34Å; G800-Q804 WeakPolarHBondContact O-CG 3.17Å; G800-Q804 PolarHBondContact O-N 2.65Å; G800-Q804 PolarHBondContact O-NE2 3.06Å; S801-Q804 PolarHBondContact O-N 3.29Å; Q804-V806 VanDerWaalsContact C-N 3.32Å; Q804-V806 PolarHBondContact O-N 2.85Å; Q804-L807 PolarHBondContact O-N 3.46Å; Q804-Y808 WeakPolarHBondContact O-CB 3.25Å; Q804-Y808 PolarHBondContact O-N 3.04Å
805	A	88.2	Confident	85.9	Confident	0 Å²	0	24 Å²	24	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56	-44.6	177.1	0	0	0	0	0	112.4	S801 A802 Y808 W809 P1023 F1037	S801-A805 WeakPolarHBondContact O-CB 3.41Å; S801-A805 PolarHBondContact O-N 2.9Å; A802-A805 WeakPolarHBondContact O-CB 3.23Å; A802-A805 PolarHBondContact O-N 3.17Å; A805-Y808 WeakPolarHBondContact O-CB 3.48Å; A805-W809 PolarHBondContact O-N 2.88Å; A805-P1023 HydrophobicContact CB-CG 3.64Å; A805-F1037 HydrophobicContact CB-CD1 3.73Å; A805-F1037 HydrophobicContact CB-CE1 3.81Å; A805-F1037 HydrophobicContact CB-CG 4.19Å; A805-F1037 HydrophobicContact CB-CZ 4.33Å
806	V	89.5	Confident	86.7	Confident	8 Å²	8	26.9 Å²	26.9	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-74.4	-37.2	178.6	176.8	0	0	0	0	112	F747 P789 F791 A802 L803 Q804 Y808 W809 T810	F747-V806 HydrophobicContact CD1-CG1 3.67Å; F747-V806 HydrophobicContact CE1-CG1 3.72Å; P789-V806 HydrophobicContact CB-CB 4.09Å; P789-V806 HydrophobicContact CB-CG1 3.94Å; P789-V806 HydrophobicContact CG-CB 3.81Å; P789-V806 HydrophobicContact CG-CG1 3.58Å; F791-V806 HydrophobicContact CE2-CG2 3.94Å; A802-V806 PolarHBondContact O-N 3.03Å; L803-V806 PolarHBondContact O-N 2.99Å; Q804-V806 VanDerWaalsContact C-N 3.32Å; Q804-V806 PolarHBondContact O-N 2.85Å; V806-Y808 VanDerWaalsContact C-N 3.33Å; V806-Y808 PolarHBondContact O-N 2.84Å; V806-W809 PolarHBondContact O-N 3.49Å; V806-T810 WeakPolarHBondContact O-CB 3.33Å; V806-T810 PolarHBondContact O-N 3.47Å; V806-T810 PolarHBondContact O-OG1 2.68Å
807	L	92.2	Very high	87.7	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-41.6	172.4	-78.2	-179.1	0	0	0	111.6	L788 P789 V795 L803 Q804 T810 Y811 F1015 L1021	L788-L807 HydrophobicContact CD2-CD1 4.12Å; L788-L807 HydrophobicContact CD2-CD2 4.5Å; P789-L807 HydrophobicContact CG-CD2 4.11Å; P789-L807 HydrophobicContact CG-CG 4.08Å; V795-L807 HydrophobicContact CG2-CD1 4.38Å; L803-L807 HydrophobicContact CD2-CD1 3.53Å; L803-L807 HydrophobicContact CD2-CG 4.03Å; L803-L807 WeakPolarHBondContact O-CG 3.34Å; L803-L807 PolarHBondContact O-N 3.36Å; Q804-L807 PolarHBondContact O-N 3.46Å; L807-T810 PolarHBondContact O-N 2.7Å; L807-Y811 HydrophobicContact CB-CD2 4.33Å; L807-Y811 HydrophobicContact CB-CE2 4.34Å; L807-Y811 HydrophobicContact CD2-CE2 4.06Å; L807-Y811 WeakPolarHBondContact O-CD2 3.43Å; L807-Y811 PolarHBondContact O-N 2.69Å; L807-F1015 HydrophobicContact CD1-CE1 4.25Å; L807-L1021 HydrophobicContact CB-CD1 4.21Å
808	Y	93	Very high	88.6	Confident	39 Å²	39	26.5 Å²	26.5	15%	0.153	17%	0.165	C	C	.	.	H	α-helix	trans	-54.8	-54.8	175	171	-101.2	0	0	0	111.4	Q804 A805 V806 T810 Y811 Q812 L1021	Q804-Y808 WeakPolarHBondContact O-CB 3.25Å; Q804-Y808 PolarHBondContact O-N 3.04Å; A805-Y808 WeakPolarHBondContact O-CB 3.48Å; V806-Y808 VanDerWaalsContact C-N 3.33Å; V806-Y808 PolarHBondContact O-N 2.84Å; Y808-T810 VanDerWaalsContact C-N 3.33Å; Y808-T810 PolarHBondContact O-N 2.68Å; Y808-Y811 PolarHBondContact O-N 3.42Å; Y808-Q812 HydrophobicContact CD1-CG 4.42Å; Y808-Q812 HydrophobicContact CD2-CG 3.98Å; Y808-Q812 HydrophobicContact CE1-CG 4.15Å; Y808-Q812 HydrophobicContact CE2-CG 3.67Å; Y808-Q812 HydrophobicContact CG-CG 4.34Å; Y808-Q812 WeakPolarHBondContact O-CB 3.37Å; Y808-Q812 WeakPolarHBondContact O-CG 3.41Å; Y808-Q812 PolarHBondContact O-N 3.21Å; Y808-Q812 PolarHBondContact OH-NE2 2.86Å; Y808-L1021 WeakPolarHBondContact CB-O 3.32Å; Y808-L1021 HydrophobicContact CD2-CB 4.27Å; Y808-L1021 HydrophobicContact CG-CB 4.49Å
809	W	93.8	Very high	90	Very high	12 Å²	12	23.1 Å²	23.1	5%	0.045	14%	0.14	C	C	.	.	H	α-helix	trans	-65.5	-34.7	-179.9	-71.9	111.7	0	0	0	113.2	V749 M751 D756 V757 A805 V806 S813 T1034 T1038	V749-W809 HydrophobicContact CG1-CB 3.91Å; V749-W809 HydrophobicContact CG1-CG 4.48Å; V749-W809 HydrophobicContact CG2-CB 3.84Å; M751-W809 HydrophobicContact SD-CE3 4.47Å; M751-W809 HydrophobicContact SD-CZ3 4.26Å; D756-W809 HydrophobicContact CB-CH2 4.36Å; V757-W809 HydrophobicContact CG2-CE3 4.13Å; V757-W809 HydrophobicContact CG2-CZ3 4.05Å; A805-W809 PolarHBondContact O-N 2.88Å; V806-W809 PolarHBondContact O-N 3.49Å; W809-S813 VanDerWaalsContact O-CB 3.31Å; W809-S813 WeakPolarHBondContact O-CB 3.41Å; W809-S813 PolarHBondContact O-N 2.96Å; W809-S813 PolarHBondContact O-OG 3.34Å; W809-T1034 HydrophobicContact CH2-CG2 3.73Å; W809-T1034 HydrophobicContact CZ2-CG2 3.29Å; W809-T1038 HydrophobicContact CD2-CG2 3.93Å; W809-T1038 HydrophobicContact CE3-CG2 4.07Å; W809-T1038 HydrophobicContact CG-CG2 4.42Å; W809-T1038 HydrophobicContact CZ2-CG2 4.42Å; W809-T1038 HydrophobicContact CZ3-CG2 4.34Å
810	T	95.7	Very high	91.2	Very high	9 Å²	9	20.8 Å²	20.8	6%	0.055	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-50	173.9	-56.4	0	0	0	0	111.4	L785 V806 L807 Y808 S813 I814 F1011	L785-T810 HydrophobicContact CD1-CG2 4.48Å; V806-T810 WeakPolarHBondContact O-CB 3.33Å; V806-T810 PolarHBondContact O-N 3.47Å; V806-T810 PolarHBondContact O-OG1 2.68Å; L807-T810 PolarHBondContact O-N 2.7Å; Y808-T810 VanDerWaalsContact C-N 3.33Å; Y808-T810 PolarHBondContact O-N 2.68Å; T810-S813 WeakPolarHBondContact O-CB 3.5Å; T810-S813 PolarHBondContact O-N 2.89Å; T810-I814 HydrophobicContact CG2-CD1 3.68Å; T810-I814 WeakPolarHBondContact O-CG1 3.39Å; T810-I814 PolarHBondContact O-N 2.78Å; T810-F1011 HydrophobicContact CG2-CZ 4.2Å
811	Y	96.6	Very high	92.2	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.035	12%	0.116	C	C	.	.	H	α-helix	trans	-67.2	-40.3	178.9	-77.5	-57.4	0	0	0	112.9	L807 Y808 S813 I814 S815 K816 F1011 P1012 F1015 L1021	L807-Y811 HydrophobicContact CB-CD2 4.33Å; L807-Y811 HydrophobicContact CB-CE2 4.34Å; L807-Y811 HydrophobicContact CD2-CE2 4.06Å; L807-Y811 WeakPolarHBondContact O-CD2 3.43Å; L807-Y811 PolarHBondContact O-N 2.69Å; Y808-Y811 PolarHBondContact O-N 3.42Å; Y811-S813 PolarHBondContact O-N 3.36Å; Y811-I814 PolarHBondContact O-N 3.31Å; Y811-S815 PolarHBondContact O-N 3.42Å; Y811-K816 PolarHBondContact O-N 3.47Å; Y811-F1011 AromaticContact CE1-CE1 3.87Å; Y811-F1011 HydrophobicContact CE1-CE1 3.87Å; Y811-P1012 WeakPolarHBondContact CE1-O 3.43Å; Y811-P1012 PolarHBondContact OH-O 3.39Å; Y811-F1015 HydrophobicContact CE2-CD1 4.33Å; Y811-L1021 HydrophobicContact CD2-CD1 3.96Å; Y811-L1021 HydrophobicContact CE2-CD1 4.44Å
812	Q	94.9	Very high	93	Very high	27 Å²	27	21.2 Å²	21.2	13%	0.126	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-31.5	174.8	-65	-80.5	66.8	0	0	111.5	M751 Y808 K816 S820	M751-Q812 HydrophobicContact CE-CB 3.75Å; M751-Q812 WeakPolarHBondContact CE-O 3.3Å; Y808-Q812 HydrophobicContact CD1-CG 4.42Å; Y808-Q812 HydrophobicContact CD2-CG 3.98Å; Y808-Q812 HydrophobicContact CE1-CG 4.15Å; Y808-Q812 HydrophobicContact CE2-CG 3.67Å; Y808-Q812 HydrophobicContact CG-CG 4.34Å; Y808-Q812 WeakPolarHBondContact O-CB 3.37Å; Y808-Q812 WeakPolarHBondContact O-CG 3.41Å; Y808-Q812 PolarHBondContact O-N 3.21Å; Y808-Q812 PolarHBondContact OH-NE2 2.86Å; Q812-K816 WeakPolarHBondContact CA-O 3.29Å; Q812-K816 PolarHBondContact OE1-O 2.92Å; Q812-S820 WeakPolarHBondContact O-CA 3.44Å; Q812-S820 WeakPolarHBondContact O-CB 3.07Å
813	S	97	Very high	93.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-76.3	-37.5	176.7	-63	0	0	0	0	112.9	F748 V749 T750 W809 T810 Y811 L821	F748-S813 WeakPolarHBondContact O-CB 3.45Å; F748-S813 PolarHBondContact O-OG 2.97Å; V749-S813 WeakPolarHBondContact CA-OG 3.04Å; T750-S813 PolarHBondContact N-OG 2.89Å; T750-S813 WeakPolarHBondContact O-CA 3.12Å; T750-S813 WeakPolarHBondContact O-CB 3.35Å; T750-S813 PolarHBondContact O-OG 3.48Å; W809-S813 VanDerWaalsContact O-CB 3.31Å; W809-S813 WeakPolarHBondContact O-CB 3.41Å; W809-S813 PolarHBondContact O-N 2.96Å; W809-S813 PolarHBondContact O-OG 3.34Å; T810-S813 WeakPolarHBondContact O-CB 3.5Å; T810-S813 PolarHBondContact O-N 2.89Å; Y811-S813 PolarHBondContact O-N 3.36Å; S813-L821 PolarHBondContact O-N 2.83Å
814	I	97.6	Very high	94.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-91.5	-60.9	-173.2	-61.1	170.2	0	0	0	112.3	F748 L785 T810 Y811 L822 F838 F1011 L1013	F748-I814 HydrophobicContact CD1-CD1 4.21Å; F748-I814 HydrophobicContact CD1-CG1 3.64Å; F748-I814 HydrophobicContact CE1-CG1 4.14Å; L785-I814 HydrophobicContact CD1-CD1 3.54Å; T810-I814 HydrophobicContact CG2-CD1 3.68Å; T810-I814 WeakPolarHBondContact O-CG1 3.39Å; T810-I814 PolarHBondContact O-N 2.78Å; Y811-I814 PolarHBondContact O-N 3.31Å; I814-L822 HydrophobicContact CG2-CD1 3.82Å; I814-L822 HydrophobicContact CG2-CG 4.32Å; I814-L822 VanDerWaalsContact O-CB 3.23Å; I814-L822 WeakPolarHBondContact O-CB 3.32Å; I814-L822 VanDerWaalsContact O-CG 3.27Å; I814-L822 WeakPolarHBondContact O-CG 3.4Å; I814-L822 PolarHBondContact O-N 2.77Å; I814-F838 HydrophobicContact CB-CE1 4.47Å; I814-F838 HydrophobicContact CB-CZ 4.45Å; I814-F838 HydrophobicContact CD1-CD1 3.86Å; I814-F838 HydrophobicContact CD1-CE1 3.79Å; I814-F838 HydrophobicContact CG1-CD1 4.27Å; I814-F838 HydrophobicContact CG1-CE1 3.74Å; I814-F838 HydrophobicContact CG1-CZ 4.11Å; I814-F838 HydrophobicContact CG2-CD1 4.13Å; I814-F838 HydrophobicContact CG2-CD2 3.92Å; I814-F838 HydrophobicContact CG2-CE1 3.93Å; I814-F838 HydrophobicContact CG2-CE2 3.73Å; I814-F838 HydrophobicContact CG2-CG 4.13Å; I814-F838 HydrophobicContact CG2-CZ 3.73Å; I814-F1011 HydrophobicContact CD1-CE1 4.32Å; I814-L1013 HydrophobicContact CG2-CD2 3.58Å
815	S	95.4	Very high	94.8	Very high	29 Å²	29	22.9 Å²	22.9	20%	0.203	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-6.7	-160.6	59.4	0	0	0	0	116.5	Y811 L1013	Y811-S815 PolarHBondContact O-N 3.42Å; S815-L1013 PolarHBondContact OG-O 3.27Å; S815-L1013 VanDerWaalsContact OG-O 3.06Å
816	K	92.6	Very high	95.2	Very high	70 Å²	70	26.3 Å²	26.3	30%	0.304	15%	0.145	S	C	.	.	S	Bend	trans	-123.5	127.3	-172.6	-168.7	171.8	175.7	166.5	0	112.6	Y811 Q812 S820 C1017 S1019	Y811-K816 PolarHBondContact O-N 3.47Å; Q812-K816 WeakPolarHBondContact CA-O 3.29Å; Q812-K816 PolarHBondContact OE1-O 2.92Å; K816-S820 WeakPolarHBondContact O-CB 3.22Å; K816-C1017 PolarHBondContact NZ-O 2.7Å; K816-S1019 PolarHBondContact NZ-O 3.07Å
817	G	90	Very high	95.5	Very high	18 Å²	18	32.9 Å²	32.9	19%	0.186	17%	0.169	C	C	.	.	S	Bend	trans	82.8	163.9	173.9	0	0	0	0	0	114.4	H819 S820 E823	G817-H819 PolarHBondContact O-N 3.46Å; G817-S820 VanDerWaalsContact O-CB 3.31Å; G817-S820 WeakPolarHBondContact O-CB 3.41Å; G817-S820 PolarHBondContact O-N 2.83Å; G817-S820 PolarHBondContact O-OG 3.06Å; G817-E823 VanDerWaalsContact C-CD 3.48Å; G817-E823 WeakPolarHBondContact CA-OE1 3.25Å; G817-E823 PolarHBondContact N-OE1 2.95Å; G817-E823 VanDerWaalsContact O-CD 3.31Å; G817-E823 VanDerWaalsContact O-OE2 3.09Å
818	P	93.6	Very high	95.7	Very high	77 Å²	77	36.5 Å²	36.5	50%	0.5	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.7	-161.7	28.1	-37.2	0	0	0	115.2	N824 R827	P818-N824 PolarHBondContact O-ND2 3.48Å; P818-R827 PolarHBondContact O-NH1 3.14Å
819	H	95.7	Very high	95.9	Very high	65 Å²	65	34.8 Å²	34.8	30%	0.301	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-1.9	177.9	-61.3	-79.2	0	0	0	113	M751 L752 D753 G817	M751-H819 HydrophobicContact CB-CB 4.36Å; M751-H819 HydrophobicContact CE-CB 3.85Å; L752-H819 PolarHBondContact N-O 2.9Å; L752-H819 WeakPolarHBondContact O-CB 3.39Å; L752-H819 PolarHBondContact O-ND1 3.21Å; D753-H819 PolarHBondContact O-CE1 3.4Å; G817-H819 PolarHBondContact O-N 3.46Å
820	S	96.9	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-72.9	151.9	178.5	67.8	0	0	0	0	111.8	Q812 K816 G817 E823 N824	Q812-S820 WeakPolarHBondContact O-CA 3.44Å; Q812-S820 WeakPolarHBondContact O-CB 3.07Å; K816-S820 WeakPolarHBondContact O-CB 3.22Å; G817-S820 VanDerWaalsContact O-CB 3.31Å; G817-S820 WeakPolarHBondContact O-CB 3.41Å; G817-S820 PolarHBondContact O-N 2.83Å; G817-S820 PolarHBondContact O-OG 3.06Å; S820-E823 WeakPolarHBondContact OG-CB 3.39Å; S820-E823 WeakPolarHBondContact OG-CG 3.2Å; S820-E823 PolarHBondContact OG-N 3.44Å; S820-N824 PolarHBondContact O-N 3.28Å; S820-N824 PolarHBondContact O-ND2 3.48Å
821	L	97.9	Very high	96	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-47.1	-178.3	179.4	56.5	0	0	0	112	F748 L752 L765 S813 N824 L825 I836 F838	F748-L821 HydrophobicContact CE1-CD2 4.44Å; F748-L821 HydrophobicContact CZ-CD2 4.31Å; L752-L821 HydrophobicContact CD1-CD1 4.35Å; L765-L821 HydrophobicContact CB-CD1 4.42Å; L765-L821 HydrophobicContact CB-CD2 4.23Å; L765-L821 HydrophobicContact CD1-CD2 4.19Å; S813-L821 PolarHBondContact O-N 2.83Å; L821-N824 PolarHBondContact O-N 2.96Å; L821-L825 HydrophobicContact CD1-CD1 3.91Å; L821-L825 HydrophobicContact CD1-CG 4.13Å; L821-L825 HydrophobicContact CG-CD1 3.97Å; L821-L825 VanDerWaalsContact O-CG 3.31Å; L821-L825 WeakPolarHBondContact O-CG 3.4Å; L821-L825 PolarHBondContact O-N 2.98Å; L821-I836 HydrophobicContact CD2-CD1 3.77Å; L821-F838 HydrophobicContact CD2-CZ 4.33Å
822	L	97.8	Very high	96	Very high	28 Å²	28	46.4 Å²	46.4	15%	0.147	24%	0.236	C	C	.	.	H	α-helix	trans	-72.3	-41.5	-175.5	-64.5	177.1	0	0	0	112.8	I814 N824 L825 S826 P832 I836 F838 L1013	I814-L822 HydrophobicContact CG2-CD1 3.82Å; I814-L822 HydrophobicContact CG2-CG 4.32Å; I814-L822 VanDerWaalsContact O-CB 3.23Å; I814-L822 WeakPolarHBondContact O-CB 3.32Å; I814-L822 VanDerWaalsContact O-CG 3.27Å; I814-L822 WeakPolarHBondContact O-CG 3.4Å; I814-L822 PolarHBondContact O-N 2.77Å; L822-N824 PolarHBondContact O-N 2.82Å; L822-L825 HydrophobicContact CD2-CD1 4.43Å; L822-L825 PolarHBondContact O-N 2.93Å; L822-S826 WeakPolarHBondContact O-CB 3.46Å; L822-S826 PolarHBondContact O-N 2.82Å; L822-S826 PolarHBondContact O-OG 3Å; L822-P832 HydrophobicContact CD2-CB 4.36Å; L822-I836 HydrophobicContact CD2-CG2 3.86Å; L822-F838 HydrophobicContact CD1-CD2 4.37Å; L822-F838 HydrophobicContact CD1-CE2 4.25Å; L822-F838 HydrophobicContact CD2-CE2 4.14Å; L822-F838 HydrophobicContact CG-CE2 4.25Å; L822-L1013 HydrophobicContact CD1-CD1 3.75Å; L822-L1013 HydrophobicContact CD1-CD2 4.19Å
823	E	96	Very high	96.1	Very high	70 Å²	70	47.5 Å²	47.5	33%	0.327	25%	0.247	S	C	.	.	H	α-helix	trans	-62.2	-34	176.3	-74.5	-171.1	-162.3	0	0	112.1	G817 S820 R827	G817-E823 VanDerWaalsContact C-CD 3.48Å; G817-E823 WeakPolarHBondContact CA-OE1 3.25Å; G817-E823 PolarHBondContact N-OE1 2.95Å; G817-E823 VanDerWaalsContact O-CD 3.31Å; G817-E823 VanDerWaalsContact O-OE2 3.09Å; S820-E823 WeakPolarHBondContact OG-CB 3.39Å; S820-E823 WeakPolarHBondContact OG-CG 3.2Å; S820-E823 PolarHBondContact OG-N 3.44Å; E823-R827 WeakPolarHBondContact O-CG 3.28Å; E823-R827 IonicContact OE2-NH2 2.69Å
824	N	97.6	Very high	96	Very high	18 Å²	18	51.6 Å²	51.6	10%	0.096	27%	0.266	C	S	.	.	H	α-helix	trans	-73.9	-42.4	175.7	-77.9	-77.2	0	0	0	111.9	L752 Y766 P818 S820 L821 L822 S826 R827	L752-N824 HydrophobicContact CD2-CB 3.76Å; Y766-N824 HydrophobicContact CD2-CB 3.97Å; Y766-N824 HydrophobicContact CE2-CB 3.79Å; P818-N824 PolarHBondContact O-ND2 3.48Å; S820-N824 PolarHBondContact O-N 3.28Å; S820-N824 PolarHBondContact O-ND2 3.48Å; L821-N824 PolarHBondContact O-N 2.96Å; L822-N824 PolarHBondContact O-N 2.82Å; N824-S826 VanDerWaalsContact C-N 3.31Å; N824-S826 PolarHBondContact O-N 2.81Å; N824-R827 WeakPolarHBondContact O-CB 2.99Å; N824-R827 PolarHBondContact O-N 2.9Å; N824-R827 VanDerWaalsContact O-N 3.13Å; N824-R827 PolarHBondContact OD1-NH1 3.16Å
825	L	98.1	Very high	96	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-41.3	174	-72.8	173.3	0	0	0	111.8	Y766 I769 V770 L821 L822 R827 E828 I829 P832 I836	Y766-L825 HydrophobicContact CD2-CD2 3.71Å; Y766-L825 HydrophobicContact CD2-CG 4.07Å; Y766-L825 HydrophobicContact CE2-CD2 4.31Å; I769-L825 HydrophobicContact CB-CD2 3.96Å; I769-L825 HydrophobicContact CD1-CD1 3.97Å; I769-L825 HydrophobicContact CG2-CD1 4.43Å; I769-L825 HydrophobicContact CG2-CD2 3.63Å; V770-L825 HydrophobicContact CG2-CD2 4Å; L821-L825 HydrophobicContact CD1-CD1 3.91Å; L821-L825 HydrophobicContact CD1-CG 4.13Å; L821-L825 HydrophobicContact CG-CD1 3.97Å; L821-L825 VanDerWaalsContact O-CG 3.31Å; L821-L825 WeakPolarHBondContact O-CG 3.4Å; L821-L825 PolarHBondContact O-N 2.98Å; L822-L825 HydrophobicContact CD2-CD1 4.43Å; L822-L825 PolarHBondContact O-N 2.93Å; L825-R827 PolarHBondContact O-N 3.21Å; L825-R827 VanDerWaalsContact O-N 3.11Å; L825-E828 PolarHBondContact O-N 2.85Å; L825-I829 HydrophobicContact CD2-CD1 4.18Å; L825-I829 WeakPolarHBondContact O-CB 3.44Å; L825-I829 PolarHBondContact O-N 2.67Å; L825-P832 HydrophobicContact CB-CB 3.92Å; L825-P832 HydrophobicContact CB-CG 3.8Å; L825-P832 HydrophobicContact CD1-CB 4.38Å; L825-I836 HydrophobicContact CD1-CG2 3.92Å
826	S	97.1	Very high	96.2	Very high	72 Å²	72	51.2 Å²	51.2	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-12.5	176.5	-70.2	0	0	0	0	114.9	L822 N824 I829	L822-S826 WeakPolarHBondContact O-CB 3.46Å; L822-S826 PolarHBondContact O-N 2.82Å; L822-S826 PolarHBondContact O-OG 3Å; N824-S826 VanDerWaalsContact C-N 3.31Å; N824-S826 PolarHBondContact O-N 2.81Å; S826-I829 WeakPolarHBondContact CA-O 3.47Å
827	R	96.6	Very high	96.5	Very high	145 Å²	145	48.7 Å²	48.7	55%	0.547	25%	0.25	S	S	.	.	H	α-helix	trans	-83.9	-24.6	173.4	-66.2	166.9	-169.2	162.1	3.7	112.8	P818 E823 N824 L825	P818-R827 PolarHBondContact O-NH1 3.14Å; E823-R827 WeakPolarHBondContact O-CG 3.28Å; E823-R827 IonicContact OE2-NH2 2.69Å; N824-R827 WeakPolarHBondContact O-CB 2.99Å; N824-R827 PolarHBondContact O-N 2.9Å; N824-R827 VanDerWaalsContact O-N 3.13Å; N824-R827 PolarHBondContact OD1-NH1 3.16Å; L825-R827 PolarHBondContact O-N 3.21Å; L825-R827 VanDerWaalsContact O-N 3.11Å
828	E	96.3	Very high	96.9	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	24%	0.244	S	C	.	.	H	α-helix	trans	-108.9	-21.1	-177.3	-65.5	-82.4	142.2	0	0	112.7	Y766 V770 K774 L825	Y766-E828 HydrophobicContact CE2-CG 4.43Å; Y766-E828 WeakPolarHBondContact OH-CG 3.41Å; V770-E828 HydrophobicContact CG1-CG 4.49Å; V770-E828 HydrophobicContact CG2-CB 4.08Å; V770-E828 HydrophobicContact CG2-CG 4.19Å; K774-E828 WeakPolarHBondContact CE-OE2 3.48Å; K774-E828 IonicContact NZ-OE2 2.67Å; K774-E828 PolarHBondContact NZ-OE2 3.46Å; L825-E828 PolarHBondContact O-N 2.85Å
829	I	97.2	Very high	97.1	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	22%	0.22	C	C	.	.			trans	-136.7	123.5	-171.7	-48.9	-176.7	0	0	0	108.6	I769 H773 L825 S826 D831 Y835	I769-I829 HydrophobicContact CG2-CD1 3.66Å; H773-I829 HydrophobicContact CB-CD1 3.72Å; H773-I829 HydrophobicContact CB-CG1 4.07Å; L825-I829 HydrophobicContact CD2-CD1 4.18Å; L825-I829 WeakPolarHBondContact O-CB 3.44Å; L825-I829 PolarHBondContact O-N 2.67Å; S826-I829 WeakPolarHBondContact CA-O 3.47Å; I829-D831 PolarHBondContact O-N 3.04Å; I829-Y835 HydrophobicContact CD1-CD2 4.03Å; I829-Y835 HydrophobicContact CD1-CE2 4.19Å; I829-Y835 HydrophobicContact CG2-CD2 4.14Å; I829-Y835 HydrophobicContact CG2-CE2 3.94Å
830	E	95.5	Very high	97.2	Very high	202 Å²	202	41.6 Å²	41.6	94%	0.944	21%	0.206	S	C	*	.	S	Bend	trans	-57.5	-45.1	-179.5	-176.3	180	-174.5	0	0	112.8
831	D	95.9	Very high	97.2	Very high	59 Å²	59	41.6 Å²	41.6	32%	0.316	21%	0.206	S	C	.	.			trans	-127.5	94.4	175.6	176.4	18.7	0	0	0	111.2	I829 S833 Q834	I829-D831 PolarHBondContact O-N 3.04Å; D831-S833 VanDerWaalsContact CG-OG 3.25Å; D831-S833 PolarHBondContact O-N 3.16Å; D831-S833 VanDerWaalsContact O-N 3.14Å; D831-S833 WeakPolarHBondContact OD1-CA 3.46Å; D831-S833 WeakPolarHBondContact OD1-CB 3.41Å; D831-S833 PolarHBondContact OD1-N 3.06Å; D831-S833 PolarHBondContact OD1-OG 3.49Å; D831-S833 PolarHBondContact OD2-OG 2.8Å; D831-S833 VanDerWaalsContact OD2-OG 3.11Å; D831-Q834 HydrophobicContact CB-CG 4.14Å; D831-Q834 WeakPolarHBondContact O-CB 3.47Å; D831-Q834 WeakPolarHBondContact O-CG 3.43Å; D831-Q834 PolarHBondContact O-N 2.93Å; D831-Q834 WeakPolarHBondContact OD2-CG 3.26Å
832	P	97	Very high	97.1	Very high	12 Å²	12	42 Å²	42	8%	0.078	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.2	-20.2	173.3	-26.4	36.6	0	0	0	114.1	L822 L825 Q834 Y835 I836	L822-P832 HydrophobicContact CD2-CB 4.36Å; L825-P832 HydrophobicContact CB-CB 3.92Å; L825-P832 HydrophobicContact CB-CG 3.8Å; L825-P832 HydrophobicContact CD1-CB 4.38Å; P832-Q834 PolarHBondContact O-N 2.91Å; P832-Q834 VanDerWaalsContact O-N 3.15Å; P832-Y835 PolarHBondContact O-N 3.07Å; P832-I836 HydrophobicContact CB-CG2 4.46Å; P832-I836 PolarHBondContact O-N 2.91Å
833	S	95.8	Very high	96.9	Very high	50 Å²	50	41.2 Å²	41.2	35%	0.35	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71.6	-3.4	178.6	88.7	0	0	0	0	113.8	D831 Y835 F948 K952	D831-S833 VanDerWaalsContact CG-OG 3.25Å; D831-S833 PolarHBondContact O-N 3.16Å; D831-S833 VanDerWaalsContact O-N 3.14Å; D831-S833 WeakPolarHBondContact OD1-CA 3.46Å; D831-S833 WeakPolarHBondContact OD1-CB 3.41Å; D831-S833 PolarHBondContact OD1-N 3.06Å; D831-S833 PolarHBondContact OD1-OG 3.49Å; D831-S833 PolarHBondContact OD2-OG 2.8Å; D831-S833 VanDerWaalsContact OD2-OG 3.11Å; S833-Y835 VanDerWaalsContact C-N 3.32Å; S833-F948 VanDerWaalsContact O-CE1 3.28Å; S833-F948 WeakPolarHBondContact O-CE1 3.42Å; S833-K952 PolarHBondContact O-NZ 3.16Å
834	Q	96	Very high	96.7	Very high	86 Å²	86	40.6 Å²	40.6	40%	0.402	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-73.8	-22.9	164.5	-61.6	-179.2	10.3	0	0	112.7	R780 D831 P832 F948	R780-Q834 PolarHBondContact NH1-O 3.37Å; D831-Q834 HydrophobicContact CB-CG 4.14Å; D831-Q834 WeakPolarHBondContact O-CB 3.47Å; D831-Q834 WeakPolarHBondContact O-CG 3.43Å; D831-Q834 PolarHBondContact O-N 2.93Å; D831-Q834 WeakPolarHBondContact OD2-CG 3.26Å; P832-Q834 PolarHBondContact O-N 2.91Å; P832-Q834 VanDerWaalsContact O-N 3.15Å; Q834-F948 WeakPolarHBondContact O-CE1 3.32Å
835	Y	98.2	Very high	96.3	Very high	17 Å²	17	40.8 Å²	40.8	7%	0.067	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-39	-174.5	-63.9	-84.9	0	0	0	113.6	I769 A772 H773 F779 R780 V781 I829 P832 S833	I769-Y835 HydrophobicContact CG2-CD1 4.33Å; I769-Y835 HydrophobicContact CG2-CD2 4.32Å; I769-Y835 HydrophobicContact CG2-CG 3.84Å; A772-Y835 HydrophobicContact CB-CD1 4.39Å; A772-Y835 HydrophobicContact CB-CE1 4.14Å; H773-Y835 WeakPolarHBondContact CA-OH 3.39Å; H773-Y835 HydrophobicContact CB-CE1 4.47Å; H773-Y835 HydrophobicContact CB-CE2 4.14Å; H773-Y835 AromaticContact ND1-CE2 3.53Å; H773-Y835 AromaticContact ND1-CZ 3.59Å; H773-Y835 PolarHBondContact ND1-OH 2.66Å; F779-Y835 HydrophobicContact CB-CD1 4.39Å; F779-Y835 WeakPolarHBondContact O-CD1 3.39Å; R780-Y835 CarbonylContact C-O 3.6Å; R780-Y835 WeakPolarHBondContact CA-O 3.39Å; V781-Y835 PolarHBondContact N-O 3.04Å; I829-Y835 HydrophobicContact CD1-CD2 4.03Å; I829-Y835 HydrophobicContact CD1-CE2 4.19Å; I829-Y835 HydrophobicContact CG2-CD2 4.14Å; I829-Y835 HydrophobicContact CG2-CE2 3.94Å; P832-Y835 PolarHBondContact O-N 3.07Å; S833-Y835 VanDerWaalsContact C-N 3.32Å
836	I	98.4	Very high	95.6	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.6	-174.8	-173.4	164.8	0	0	0	112.2	I769 V781 V783 L821 L822 L825 P832 F838	I769-I836 HydrophobicContact CD1-CB 4.1Å; I769-I836 HydrophobicContact CD1-CD1 4.23Å; I769-I836 HydrophobicContact CD1-CG2 4.39Å; V781-I836 HydrophobicContact CB-CB 4.09Å; V781-I836 HydrophobicContact CB-CD1 4.28Å; V781-I836 HydrophobicContact CB-CG1 3.95Å; V781-I836 HydrophobicContact CG1-CD1 3.9Å; V781-I836 HydrophobicContact CG1-CG1 3.96Å; V781-I836 WeakPolarHBondContact O-CA 3.02Å; V783-I836 HydrophobicContact CG2-CD1 4.13Å; V783-I836 HydrophobicContact CG2-CG1 4.36Å; L821-I836 HydrophobicContact CD2-CD1 3.77Å; L822-I836 HydrophobicContact CD2-CG2 3.86Å; L825-I836 HydrophobicContact CD1-CG2 3.92Å; P832-I836 HydrophobicContact CB-CG2 4.46Å; P832-I836 PolarHBondContact O-N 2.91Å; I836-F838 HydrophobicContact CD1-CE2 3.68Å; I836-F838 HydrophobicContact CD1-CZ 3.82Å; I836-F838 HydrophobicContact CG1-CD2 4.41Å; I836-F838 HydrophobicContact CG1-CE2 3.89Å; I836-F838 HydrophobicContact CG1-CZ 4.42Å
837	I	98.3	Very high	94.7	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.087	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.5	170.1	-177.3	162.1	0	0	0	111.7	V781 Y782 V783 F948 K952 L1010	V781-I837 PolarHBondContact O-N 3.09Å; Y782-I837 HydrophobicContact CD1-CG2 4.03Å; V783-I837 PolarHBondContact N-O 2.68Å; I837-F948 HydrophobicContact CB-CE2 4.45Å; I837-F948 HydrophobicContact CB-CZ 4.39Å; I837-F948 HydrophobicContact CG2-CE2 3.72Å; I837-F948 HydrophobicContact CG2-CZ 4.14Å; I837-K952 HydrophobicContact CD1-CB 4.44Å; I837-K952 HydrophobicContact CD1-CG 3.74Å; I837-L1010 HydrophobicContact CD1-CD2 3.77Å
838	F	98.6	Very high	93.8	Very high	10 Å²	10	38.6 Å²	38.6	4%	0.044	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.7	169.3	-67.4	-94.2	0	0	0	110.2	F748 V783 L785 I814 L821 L822 I836 F1011 L1013	F748-F838 HydrophobicContact CD1-CE1 4.23Å; F748-F838 HydrophobicContact CE1-CE1 4.04Å; F748-F838 HydrophobicContact CE1-CZ 4.17Å; F748-F838 HydrophobicContact CZ-CE1 4.24Å; F748-F838 HydrophobicContact CZ-CZ 4.36Å; V783-F838 HydrophobicContact CB-CD1 3.71Å; V783-F838 HydrophobicContact CB-CE1 3.78Å; V783-F838 HydrophobicContact CB-CG 4.39Å; V783-F838 HydrophobicContact CB-CZ 4.48Å; V783-F838 HydrophobicContact CG1-CD1 3.83Å; V783-F838 HydrophobicContact CG1-CE1 3.72Å; V783-F838 HydrophobicContact CG2-CD1 4.39Å; V783-F838 HydrophobicContact CG2-CE1 4.03Å; V783-F838 HydrophobicContact CG2-CZ 4.3Å; V783-F838 CarbonylContact O-C 3.57Å; V783-F838 WeakPolarHBondContact O-CA 3.1Å; L785-F838 HydrophobicContact CD1-CD1 4.09Å; L785-F838 HydrophobicContact CD1-CE1 4.46Å; I814-F838 HydrophobicContact CB-CE1 4.47Å; I814-F838 HydrophobicContact CB-CZ 4.45Å; I814-F838 HydrophobicContact CD1-CD1 3.86Å; I814-F838 HydrophobicContact CD1-CE1 3.79Å; I814-F838 HydrophobicContact CG1-CD1 4.27Å; I814-F838 HydrophobicContact CG1-CE1 3.74Å; I814-F838 HydrophobicContact CG1-CZ 4.11Å; I814-F838 HydrophobicContact CG2-CD1 4.13Å; I814-F838 HydrophobicContact CG2-CD2 3.92Å; I814-F838 HydrophobicContact CG2-CE1 3.93Å; I814-F838 HydrophobicContact CG2-CE2 3.73Å; I814-F838 HydrophobicContact CG2-CG 4.13Å; I814-F838 HydrophobicContact CG2-CZ 3.73Å; L821-F838 HydrophobicContact CD2-CZ 4.33Å; L822-F838 HydrophobicContact CD1-CD2 4.37Å; L822-F838 HydrophobicContact CD1-CE2 4.25Å; L822-F838 HydrophobicContact CD2-CE2 4.14Å; L822-F838 HydrophobicContact CG-CE2 4.25Å; I836-F838 HydrophobicContact CD1-CE2 3.68Å; I836-F838 HydrophobicContact CD1-CZ 3.82Å; I836-F838 HydrophobicContact CG1-CD2 4.41Å; I836-F838 HydrophobicContact CG1-CE2 3.89Å; I836-F838 HydrophobicContact CG1-CZ 4.42Å; F838-F1011 HydrophobicContact CB-CB 3.9Å; F838-F1011 PolarHBondContact O-N 3.39Å; F838-L1013 HydrophobicContact CB-CD2 4.36Å
839	C	98.6	Very high	93.1	Very high	1 Å²	1	42 Å²	42	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	170.3	-177.9	-80.4	0	0	0	0	111.3	V783 L784 L785 W951 L1008 V1009	V783-C839 PolarHBondContact O-N 3.31Å; L784-C839 WeakPolarHBondContact CA-O 3.38Å; L784-C839 HydrophobicContact CD1-CB 4.09Å; L784-C839 HydrophobicContact CG-CB 3.89Å; L785-C839 PolarHBondContact N-O 2.93Å; L785-C839 VanDerWaalsContact N-O 3.08Å; C839-W951 PolarHBondContact SG-NE1 2.84Å; C839-W951 VanDerWaalsContact SG-NE1 3.38Å; C839-L1008 HydrophobicContact CB-CD1 3.7Å; C839-V1009 CarbonylContact C-O 3.51Å; C839-V1009 VanDerWaalsContact CA-O 3.26Å; C839-V1009 WeakPolarHBondContact CA-O 3.06Å; C839-V1009 WeakPolarHBondContact CB-O 3.26Å
840	S	97.7	Very high	92.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	-171.4	168.1	-160.9	0	0	0	0	110.5	L785 L787 V1009	L785-S840 WeakPolarHBondContact O-CB 3.37Å; L785-S840 PolarHBondContact O-OG 3.12Å; L787-S840 VanDerWaalsContact CD2-CB 3.43Å; L787-S840 WeakPolarHBondContact CG-OG 3.34Å; L787-S840 PolarHBondContact N-OG 3.14Å; L787-S840 VanDerWaalsContact N-OG 3.09Å; S840-V1009 PolarHBondContact N-O 2.85Å; S840-V1009 WeakPolarHBondContact O-CG2 3.26Å; S840-V1009 PolarHBondContact O-N 2.96Å
841	L	96.6	Very high	92.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.1	-178.8	-60.8	173.8	0	0	0	110.9	I856 I858 H926 N1007	L841-I856 HydrophobicContact CB-CB 3.77Å; L841-I856 HydrophobicContact CB-CD1 4.08Å; L841-I856 HydrophobicContact CB-CG1 4.49Å; L841-I856 HydrophobicContact CB-CG2 4.32Å; L841-I856 HydrophobicContact CD1-CG2 4.32Å; L841-I856 PolarHBondContact O-N 3.17Å; L841-I858 HydrophobicContact CB-CD1 4.47Å; L841-I858 HydrophobicContact CD1-CD1 3.95Å; L841-I858 HydrophobicContact CD1-CG1 4.03Å; L841-I858 HydrophobicContact CG-CD1 3.91Å; L841-I858 HydrophobicContact CG-CG1 4.34Å; L841-H926 VanDerWaalsContact CD1-CE1 3.42Å; L841-H926 WeakPolarHBondContact CD1-CE1 3.19Å; L841-H926 HydrophobicContact CD2-CB 4.04Å; L841-N1007 CarbonylContact C-O 3.33Å; L841-N1007 WeakPolarHBondContact CA-O 3.47Å; L841-N1007 HydrophobicContact CD2-CB 4.2Å
842	R	95.2	Very high	91.8	Very high	8 Å²	8	33.1 Å²	33.1	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.2	176.7	176.6	174.4	-70.7	-70.2	2.1	110.1	L787 T853 Y962 I969 N1007 V1009	L787-R842 VanDerWaalsContact CD1-NH2 3.28Å; R842-T853 WeakPolarHBondContact CD-OG1 3.32Å; R842-T853 VanDerWaalsContact CG-OG1 3.29Å; R842-T853 WeakPolarHBondContact CG-OG1 3.44Å; R842-T853 PolarHBondContact NH1-OG1 3.36Å; R842-T853 VanDerWaalsContact NH1-OG1 3.13Å; R842-Y962 HydrophobicContact CB-CD2 4.14Å; R842-Y962 HydrophobicContact CB-CE2 3.9Å; R842-Y962 VanDerWaalsContact CD-CG 3.42Å; R842-Y962 HydrophobicContact CG-CD1 4.18Å; R842-Y962 HydrophobicContact CG-CD2 3.87Å; R842-Y962 HydrophobicContact CG-CE1 4.12Å; R842-Y962 HydrophobicContact CG-CE2 3.78Å; R842-Y962 HydrophobicContact CG-CG 4.07Å; R842-Y962 PolarHBondContact O-OH 3.07Å; R842-I969 PolarHBondContact NH2-O 3.13Å; R842-N1007 PolarHBondContact N-O 3.31Å; R842-N1007 WeakPolarHBondContact O-CA 3.38Å; R842-V1009 HydrophobicContact CB-CG1 4.01Å; R842-V1009 HydrophobicContact CB-CG2 4.15Å
843	T	93.6	Very high	91.6	Very high	12 Å²	12	32.6 Å²	32.6	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	173.3	176.2	-169.9	0	0	0	0	111.3	H509 L511 T853 E854 I856 Y962	H509-T843 HydrophobicContact CB-CG2 4.3Å; L511-T843 HydrophobicContact CD1-CG2 4.34Å; L511-T843 HydrophobicContact CD2-CG2 3.63Å; L511-T843 HydrophobicContact CG-CG2 3.97Å; T843-T853 WeakPolarHBondContact O-CA 3.23Å; T843-T853 WeakPolarHBondContact O-CB 3.26Å; T843-T853 PolarHBondContact O-OG1 3.31Å; T843-E854 PolarHBondContact N-O 2.88Å; T843-E854 PolarHBondContact O-N 3.37Å; T843-I856 HydrophobicContact CG2-CD1 4.09Å; T843-I856 HydrophobicContact CG2-CG1 3.89Å; T843-Y962 WeakPolarHBondContact CA-OH 3.46Å
844	H	92.2	Very high	91.3	Very high	57 Å²	57	31.5 Å²	31.5	26%	0.264	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167.4	176.3	63.9	-83.3	0	0	0	111.4	V852 Y962 F966 L1004	H844-V852 CarbonylContact C-O 3.5Å; H844-V852 WeakPolarHBondContact CA-O 3.29Å; H844-V852 VanDerWaalsContact CB-O 3.31Å; H844-V852 WeakPolarHBondContact CB-O 3.36Å; H844-Y962 HydrophobicContact CB-CE1 4.02Å; H844-Y962 AromaticContact ND1-CE1 3.61Å; H844-Y962 AromaticContact ND1-CZ 3.81Å; H844-Y962 PolarHBondContact ND1-OH 3.39Å; H844-Y962 VanDerWaalsContact ND1-OH 3.15Å; H844-F966 HydrophobicContact CB-CE2 4.01Å; H844-F966 HydrophobicContact CB-CZ 3.99Å; H844-L1004 VanDerWaalsContact CE1-CD1 3.42Å; H844-L1004 WeakPolarHBondContact CE1-CD1 3.31Å
845	G	88.5	Confident	91.2	Very high	22 Å²	22	27.5 Å²	27.5	23%	0.227	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-170.4	177.4	0	0	0	0	0	111.4	M851 V852	G845-M851 WeakPolarHBondContact O-CA 3.21Å; G845-V852 PolarHBondContact N-O 3.41Å; G845-V852 PolarHBondContact O-N 3.26Å
846	V	85.4	Confident	90.9	Very high	81 Å²	81	26.7 Å²	26.7	49%	0.491	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.3	177.9	-177.3	0	0	0	0	109.4	T512	T512-V846 WeakPolarHBondContact CG2-O 3.44Å
847	L	77.9	Confident	90.6	Very high	11 Å²	11	26.9 Å²	26.9	6%	0.058	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	106.5	-177.5	171.4	70.4	0	0	0	108.3	T512 F514 A652 D849 K850 V852	T512-L847 HydrophobicContact CG2-CB 3.88Å; T512-L847 HydrophobicContact CG2-CD1 3.7Å; T512-L847 HydrophobicContact CG2-CG 4.38Å; F514-L847 HydrophobicContact CE2-CD1 3.83Å; F514-L847 HydrophobicContact CZ-CD1 3.63Å; A652-L847 HydrophobicContact CB-CD1 4.17Å; A652-L847 HydrophobicContact CB-CD2 4Å; A652-L847 WeakPolarHBondContact O-CD1 3.38Å; A652-L847 WeakPolarHBondContact O-CD2 3.41Å; L847-D849 PolarHBondContact O-N 3.21Å; L847-K850 PolarHBondContact N-O 3.42Å; L847-K850 WeakPolarHBondContact O-CB 3.19Å; L847-K850 PolarHBondContact O-N 2.89Å; L847-K850 VanDerWaalsContact O-N 3.11Å; L847-V852 HydrophobicContact CB-CG1 4.01Å; L847-V852 HydrophobicContact CB-CG2 3.72Å; L847-V852 HydrophobicContact CD2-CG1 3.96Å; L847-V852 HydrophobicContact CD2-CG2 4.48Å
848	L	78	Confident	90.4	Very high	79 Å²	79	26.1 Å²	26.1	41%	0.414	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	56	-176.3	-52.8	-179.2	0	0	0	111.8	F514 S643 A645 K850	F514-L848 HydrophobicContact CE1-CD2 3.9Å; F514-L848 HydrophobicContact CE2-CD2 4.4Å; F514-L848 HydrophobicContact CZ-CD2 3.69Å; F514-L848 HydrophobicContact CZ-CG 4.06Å; S643-L848 VanDerWaalsContact O-CD1 3.23Å; S643-L848 WeakPolarHBondContact O-CD1 3.28Å; A645-L848 HydrophobicContact CB-CD1 3.96Å; L848-K850 PolarHBondContact O-N 3.32Å
849	D	79.9	Confident	90.2	Very high	149 Å²	149	26 Å²	26	80%	0.797	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	8.4	-178.9	-46.4	-42.7	0	0	0	115.5	L847	L847-D849 PolarHBondContact O-N 3.21Å
850	K	84.7	Confident	90	Very high	59 Å²	59	26 Å²	26	26%	0.257	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.6	172.2	-171.1	-174.8	174.8	80.9	0	110.9	N649 L847 L848 D991	N649-K850 WeakPolarHBondContact OD1-CE 3.44Å; N649-K850 PolarHBondContact OD1-NZ 3.06Å; L847-K850 PolarHBondContact N-O 3.42Å; L847-K850 WeakPolarHBondContact O-CB 3.19Å; L847-K850 PolarHBondContact O-N 2.89Å; L847-K850 VanDerWaalsContact O-N 3.11Å; L848-K850 PolarHBondContact O-N 3.32Å; K850-D991 WeakPolarHBondContact CE-OD1 3.02Å; K850-D991 IonicContact NZ-OD1 3.13Å; K850-D991 PolarHBondContact NZ-OD1 2.92Å; K850-D991 IonicContact NZ-OD2 3.46Å; K850-D991 PolarHBondContact NZ-OD2 3.08Å; K850-D991 VanDerWaalsContact NZ-OD2 3.13Å
851	M	89.2	Confident	90	Very high	15 Å²	15	26.1 Å²	26.1	7%	0.074	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.8	169.7	-63.2	179.8	-173	0	0	111.3	G845 F966 E994 A997 K998 L1001	G845-M851 WeakPolarHBondContact O-CA 3.21Å; M851-F966 HydrophobicContact CB-CE1 3.86Å; M851-F966 HydrophobicContact CB-CZ 4.25Å; M851-E994 HydrophobicContact CE-CB 4.38Å; M851-E994 HydrophobicContact CE-CG 3.71Å; M851-A997 HydrophobicContact CE-CB 4.35Å; M851-A997 HydrophobicContact SD-CB 3.84Å; M851-K998 HydrophobicContact CE-CB 3.79Å; M851-L1001 HydrophobicContact SD-CD1 3.84Å
852	V	88.7	Confident	90.1	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.03	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.8	177.5	-69	0	0	0	0	111	L511 H844 G845 L847	L511-V852 HydrophobicContact CD1-CG2 4.09Å; H844-V852 CarbonylContact C-O 3.5Å; H844-V852 WeakPolarHBondContact CA-O 3.29Å; H844-V852 VanDerWaalsContact CB-O 3.31Å; H844-V852 WeakPolarHBondContact CB-O 3.36Å; G845-V852 PolarHBondContact N-O 3.41Å; G845-V852 PolarHBondContact O-N 3.26Å; L847-V852 HydrophobicContact CB-CG1 4.01Å; L847-V852 HydrophobicContact CB-CG2 3.72Å; L847-V852 HydrophobicContact CD2-CG1 3.96Å; L847-V852 HydrophobicContact CD2-CG2 4.48Å
853	T	92.3	Very high	90.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.1	169.1	177	0	0	0	0	110.1	R653 R842 T843 F966 C968	R653-T853 WeakPolarHBondContact CD-O 3.42Å; R653-T853 PolarHBondContact NH1-O 2.67Å; R842-T853 WeakPolarHBondContact CD-OG1 3.32Å; R842-T853 VanDerWaalsContact CG-OG1 3.29Å; R842-T853 WeakPolarHBondContact CG-OG1 3.44Å; R842-T853 PolarHBondContact NH1-OG1 3.36Å; R842-T853 VanDerWaalsContact NH1-OG1 3.13Å; T843-T853 WeakPolarHBondContact O-CA 3.23Å; T843-T853 WeakPolarHBondContact O-CB 3.26Å; T843-T853 PolarHBondContact O-OG1 3.31Å; T853-F966 HydrophobicContact CG2-CB 3.59Å; T853-F966 HydrophobicContact CG2-CD1 3.92Å; T853-F966 HydrophobicContact CG2-CD2 3.49Å; T853-F966 VanDerWaalsContact CG2-CD2 3.49Å; T853-F966 HydrophobicContact CG2-CE1 4.43Å; T853-F966 HydrophobicContact CG2-CE2 4.05Å; T853-F966 HydrophobicContact CG2-CG 3.39Å; T853-F966 HydrophobicContact CG2-CZ 4.48Å; T853-C968 HydrophobicContact CG2-CB 4.17Å
854	E	90.1	Very high	90.4	Very high	27 Å²	27	25.2 Å²	25.2	13%	0.126	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.7	163.4	-163.9	54.2	-79.2	0	0	110	L511 N623 T843	L511-E854 HydrophobicContact CD1-CB 4.31Å; L511-E854 HydrophobicContact CD2-CB 3.66Å; N623-E854 PolarHBondContact ND2-OE2 3.45Å; T843-E854 PolarHBondContact N-O 2.88Å; T843-E854 PolarHBondContact O-N 3.37Å
855	L	92.6	Very high	90.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	152.2	167.4	63.2	83.8	0	0	0	110.7	I625 L787 L788 Y857	I625-L855 HydrophobicContact CD1-CD1 4.22Å; I625-L855 HydrophobicContact CD1-CD2 3.69Å; I625-L855 HydrophobicContact CD1-CG 4.25Å; L787-L855 HydrophobicContact CB-CB 4.25Å; L787-L855 HydrophobicContact CB-CD2 3.88Å; L787-L855 HydrophobicContact CD1-CB 4.16Å; L788-L855 HydrophobicContact CB-CD2 4.03Å; L788-L855 HydrophobicContact CD1-CD2 4.42Å; L788-L855 HydrophobicContact CG-CD2 4.28Å; L855-Y857 HydrophobicContact CD1-CD2 4.18Å
856	I	92.3	Very high	91.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.9	165.1	-65.2	156.3	0	0	0	106	H509 H656 C658 L841 T843 I858 N1007	H509-I856 HydrophobicContact CB-CD1 3.98Å; H509-I856 HydrophobicContact CB-CG1 3.95Å; H509-I856 VanDerWaalsContact CD2-CD1 3.4Å; H509-I856 WeakPolarHBondContact CD2-CD1 3.26Å; H656-I856 HydrophobicContact CB-CG1 4.42Å; H656-I856 HydrophobicContact CB-CG2 4.24Å; C658-I856 HydrophobicContact CB-CG2 3.56Å; L841-I856 HydrophobicContact CB-CB 3.77Å; L841-I856 HydrophobicContact CB-CD1 4.08Å; L841-I856 HydrophobicContact CB-CG1 4.49Å; L841-I856 HydrophobicContact CB-CG2 4.32Å; L841-I856 HydrophobicContact CD1-CG2 4.32Å; L841-I856 PolarHBondContact O-N 3.17Å; T843-I856 HydrophobicContact CG2-CD1 4.09Å; T843-I856 HydrophobicContact CG2-CG1 3.89Å; I856-I858 PolarHBondContact O-N 3.4Å; I856-I858 VanDerWaalsContact O-N 3.14Å; I856-N1007 HydrophobicContact CD1-CB 3.86Å
857	Y	93	Very high	91.8	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.035	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	105.4	-174.3	-169.3	-119.5	0	0	0	110.1	H656 C657 C658 Q746 P786 L788 G790 L855 H859	H656-Y857 WeakPolarHBondContact O-CA 3.35Å; H656-Y857 WeakPolarHBondContact O-CB 3.45Å; H656-Y857 PolarHBondContact O-N 2.84Å; C657-Y857 CarbonylContact C-O 3.58Å; C657-Y857 WeakPolarHBondContact CA-O 3.48Å; C658-Y857 PolarHBondContact N-O 3.09Å; Q746-Y857 HydrophobicContact CG-CE1 4.38Å; Q746-Y857 VanDerWaalsContact CG-OH 3.25Å; Q746-Y857 WeakPolarHBondContact CG-OH 3.39Å; Q746-Y857 PolarHBondContact NE2-OH 2.9Å; P786-Y857 HydrophobicContact CB-CD2 3.41Å; P786-Y857 VanDerWaalsContact CB-CD2 3.41Å; P786-Y857 HydrophobicContact CB-CE2 3.39Å; P786-Y857 HydrophobicContact CB-CG 4.43Å; P786-Y857 HydrophobicContact CG-CD2 4.21Å; P786-Y857 HydrophobicContact CG-CE2 3.68Å; L788-Y857 WeakPolarHBondContact O-CE2 3.13Å; G790-Y857 PolarHBondContact N-OH 3.43Å; G790-Y857 VanDerWaalsContact N-OH 3.17Å; L855-Y857 HydrophobicContact CD1-CD2 4.18Å; Y857-H859 HydrophobicContact CD1-CB 4.02Å; Y857-H859 HydrophobicContact CE1-CB 4.06Å; Y857-H859 AromaticContact CE1-CD2 3.95Å; Y857-H859 PolarHBondContact O-N 2.9Å; Y857-H859 VanDerWaalsContact O-N 3.07Å
858	I	94.3	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	102.1	175.4	-52.5	-172	0	0	0	108.4	E744 Q746 L784 P786 L841 I856	E744-I858 HydrophobicContact CB-CG2 3.84Å; E744-I858 HydrophobicContact CG-CG2 3.81Å; Q746-I858 WeakPolarHBondContact CA-O 3.24Å; L784-I858 HydrophobicContact CB-CD1 3.88Å; P786-I858 HydrophobicContact CB-CB 4.36Å; L841-I858 HydrophobicContact CB-CD1 4.47Å; L841-I858 HydrophobicContact CD1-CD1 3.95Å; L841-I858 HydrophobicContact CD1-CG1 4.03Å; L841-I858 HydrophobicContact CG-CD1 3.91Å; L841-I858 HydrophobicContact CG-CG1 4.34Å; I856-I858 PolarHBondContact O-N 3.4Å; I856-I858 VanDerWaalsContact O-N 3.14Å
859	H	94.2	Very high	93.6	Very high	9 Å²	9	20.7 Å²	20.7	4%	0.042	10%	0.095	C	C	.	.			trans	-113.3	3.1	175	-177.5	-81	0	0	0	111.9	G496 C658 Q659 Q746 Y857 K861	G496-H859 PolarHBondContact O-CE1 2.91Å; G496-H859 PolarHBondContact O-ND1 3.42Å; C658-H859 PolarHBondContact O-N 3.1Å; Q659-H859 HydrophobicContact CG-CB 3.62Å; Q659-H859 PolarHBondContact NE2-ND1 2.78Å; Q659-H859 VanDerWaalsContact NE2-ND1 3.16Å; Q746-H859 PolarHBondContact NE2-CD2 3.48Å; Q746-H859 VanDerWaalsContact NE2-CD2 3.28Å; Q746-H859 PolarHBondContact OE1-CD2 3.13Å; Q746-H859 VanDerWaalsContact OE1-CD2 3.31Å; Q746-H859 PolarHBondContact OE1-NE2 2.75Å; Y857-H859 HydrophobicContact CD1-CB 4.02Å; Y857-H859 HydrophobicContact CE1-CB 4.06Å; Y857-H859 AromaticContact CE1-CD2 3.95Å; Y857-H859 PolarHBondContact O-N 2.9Å; Y857-H859 VanDerWaalsContact O-N 3.07Å; H859-K861 WeakPolarHBondContact O-CD 3.26Å; H859-K861 WeakPolarHBondContact O-CE 3.33Å; H859-K861 PolarHBondContact O-NZ 2.95Å
860	S	94.3	Very high	94.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.057	C	C	.	.			trans	-41.6	149.5	158.3	-66.8	0	0	0	0	113.6	C658 R660 E744 N745 Q746	C658-S860 PolarHBondContact O-N 2.8Å; R660-S860 WeakPolarHBondContact CD-OG 3.2Å; R660-S860 WeakPolarHBondContact CG-OG 3.24Å; R660-S860 PolarHBondContact NE-OG 3.4Å; E744-S860 WeakPolarHBondContact OE2-CB 3.49Å; E744-S860 PolarHBondContact OE2-OG 3.12Å; N745-S860 WeakPolarHBondContact CA-O 3.38Å; Q746-S860 PolarHBondContact N-O 2.93Å
861	K	97.6	Very high	94.9	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.009	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	83.7	161.5	-55	91.8	173.3	67	0	108.2	E744 H859 G873 S874 A875 N876	E744-K861 WeakPolarHBondContact O-CA 3.2Å; H859-K861 WeakPolarHBondContact O-CD 3.26Å; H859-K861 WeakPolarHBondContact O-CE 3.33Å; H859-K861 PolarHBondContact O-NZ 2.95Å; K861-G873 PolarHBondContact O-N 2.98Å; K861-S874 VanDerWaalsContact CD-O 3.3Å; K861-S874 WeakPolarHBondContact CD-O 3.31Å; K861-S874 WeakPolarHBondContact CE-O 3.41Å; K861-A875 WeakPolarHBondContact CB-O 3.46Å; K861-A875 WeakPolarHBondContact CG-O 3.15Å; K861-N876 WeakPolarHBondContact CE-OD1 3.43Å; K861-N876 WeakPolarHBondContact CG-OD1 3.32Å; K861-N876 PolarHBondContact NZ-OD1 3.03Å
862	L	97.4	Very high	95.1	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.01	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.2	-173.6	-166.1	85	0	0	0	110.6	Y742 I743 E744 I864 T870 I871 V872 L918 L922	Y742-L862 HydrophobicContact CE1-CD2 4.31Å; I743-L862 WeakPolarHBondContact CA-O 3.19Å; E744-L862 PolarHBondContact N-O 2.93Å; E744-L862 PolarHBondContact O-N 3.06Å; L862-I864 HydrophobicContact CD2-CD1 3.76Å; L862-I864 HydrophobicContact CD2-CG1 3.59Å; L862-I864 HydrophobicContact CG-CG1 4.26Å; L862-T870 HydrophobicContact CD1-CG2 3.73Å; L862-T870 HydrophobicContact CG-CG2 4.41Å; L862-I871 WeakPolarHBondContact CA-O 3.26Å; L862-V872 HydrophobicContact CD1-CB 3.69Å; L862-V872 HydrophobicContact CD1-CG2 3.89Å; L862-L918 HydrophobicContact CD1-CD2 4Å; L862-L918 HydrophobicContact CD2-CD2 3.89Å; L862-L918 HydrophobicContact CD2-CG 4.42Å; L862-L922 HydrophobicContact CD2-CD1 3.98Å
863	M	98.5	Very high	95.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.9	155.7	177.7	177.9	69.2	0	0	110.6	Y730 L733 I734 I741 Y742 I743 V865 T870 I871	Y730-M863 HydrophobicContact CD1-CE 3.71Å; Y730-M863 HydrophobicContact CD1-SD 4Å; Y730-M863 HydrophobicContact CE1-CB 3.81Å; Y730-M863 HydrophobicContact CE1-CE 4.12Å; Y730-M863 HydrophobicContact CE1-SD 4.17Å; Y730-M863 HydrophobicContact CG-CE 4.22Å; L733-M863 HydrophobicContact CB-CE 3.71Å; L733-M863 HydrophobicContact CD1-CE 4.03Å; I734-M863 HydrophobicContact CD1-SD 4.16Å; I734-M863 HydrophobicContact CG1-CE 4.13Å; I734-M863 HydrophobicContact CG1-SD 3.74Å; I741-M863 HydrophobicContact CG2-CG 3.82Å; I741-M863 HydrophobicContact CG2-SD 3.75Å; Y742-M863 CarbonylContact O-C 3.48Å; Y742-M863 VanDerWaalsContact O-CA 3.25Å; Y742-M863 WeakPolarHBondContact O-CA 3.02Å; I743-M863 HydrophobicContact CD1-SD 4.24Å; I743-M863 HydrophobicContact CG1-CB 4.09Å; I743-M863 HydrophobicContact CG1-CG 3.82Å; I743-M863 HydrophobicContact CG1-SD 4.12Å; M863-V865 HydrophobicContact CE-CG2 4.11Å; M863-V865 HydrophobicContact CG-CG2 3.98Å; M863-V865 HydrophobicContact SD-CG2 4.16Å; M863-T870 CarbonylContact O-C 3.58Å; M863-T870 WeakPolarHBondContact O-CA 3.27Å; M863-I871 HydrophobicContact CB-CG2 3.65Å; M863-I871 HydrophobicContact CE-CG2 3.91Å; M863-I871 PolarHBondContact N-O 3.14Å; M863-I871 PolarHBondContact O-N 3.29Å
864	I	98.4	Very high	95.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.8	171	-48.9	177.8	0	0	0	107.7	Y740 Y742 L862 W869 T870 A915 L918 R919 L922	Y740-I864 WeakPolarHBondContact OH-CG2 3.32Å; Y742-I864 HydrophobicContact CD1-CB 4.46Å; Y742-I864 HydrophobicContact CD1-CD1 4Å; Y742-I864 HydrophobicContact CD1-CG1 4.14Å; Y742-I864 HydrophobicContact CE1-CD1 4.46Å; Y742-I864 PolarHBondContact N-O 2.89Å; Y742-I864 PolarHBondContact O-N 2.77Å; L862-I864 HydrophobicContact CD2-CD1 3.76Å; L862-I864 HydrophobicContact CD2-CG1 3.59Å; L862-I864 HydrophobicContact CG-CG1 4.26Å; I864-W869 CarbonylContact C-O 3.16Å; I864-W869 WeakPolarHBondContact CA-O 3.31Å; I864-T870 HydrophobicContact CG1-CG2 4.4Å; I864-A915 HydrophobicContact CG2-CB 4.11Å; I864-L918 HydrophobicContact CD1-CB 4.44Å; I864-L918 HydrophobicContact CD1-CD2 4.09Å; I864-L918 HydrophobicContact CD1-CG 3.98Å; I864-R919 HydrophobicContact CD1-CB 3.7Å; I864-R919 HydrophobicContact CD1-CG 4.15Å; I864-L922 HydrophobicContact CD1-CD1 4.29Å
865	V	98.6	Very high	95.7	Very high	2 Å²	2	9 Å²	9	1%	0.012	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.7	178.3	-175.3	0	0	0	0	109.7	L733 A737 I741 M863 D867 R868 W869	L733-V865 HydrophobicContact CB-CG2 4.32Å; A737-V865 HydrophobicContact CB-CG1 3.45Å; A737-V865 VanDerWaalsContact CB-CG1 3.45Å; I741-V865 HydrophobicContact CG1-CG1 4.4Å; I741-V865 HydrophobicContact CG1-CG2 4.32Å; I741-V865 HydrophobicContact CG2-CG2 4.48Å; M863-V865 HydrophobicContact CE-CG2 4.11Å; M863-V865 HydrophobicContact CG-CG2 3.98Å; M863-V865 HydrophobicContact SD-CG2 4.16Å; V865-D867 PolarHBondContact O-N 2.87Å; V865-D867 VanDerWaalsContact O-N 3.09Å; V865-R868 PolarHBondContact O-N 3.37Å; V865-W869 HydrophobicContact CB-CB 4.26Å; V865-W869 PolarHBondContact N-O 3.49Å; V865-W869 PolarHBondContact O-N 2.95Å
866	D	98.2	Very high	95.9	Very high	9 Å²	9	9.1 Å²	9.1	5%	0.048	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	26.6	173.8	-57.2	-33.2	0	0	0	116.2	K738 H739 Y740 R868 Y909	K738-D866 PolarHBondContact N-OD1 3.47Å; K738-D866 PolarHBondContact N-OD2 2.97Å; H739-D866 WeakPolarHBondContact CA-OD1 3.45Å; H739-D866 WeakPolarHBondContact CB-OD1 3.13Å; H739-D866 IonicContact CD2-OD1 2.71Å; H739-D866 IonicContact CG-OD1 3.16Å; H739-D866 PolarHBondContact N-OD1 2.9Å; Y740-D866 PolarHBondContact N-OD1 3.34Å; Y740-D866 PolarHBondContact O-N 2.83Å; Y740-D866 VanDerWaalsContact O-N 3.07Å; D866-R868 PolarHBondContact O-N 3.05Å; D866-R868 VanDerWaalsContact O-N 3.13Å; D866-Y909 VanDerWaalsContact O-CE1 3.31Å; D866-Y909 WeakPolarHBondContact O-CE1 3.25Å; D866-Y909 PolarHBondContact O-OH 2.98Å
867	D	97.3	Very high	96.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	31.2	-170.5	-78.7	-12.6	0	0	0	113	Y740 V865 M904 A911 G912 A915 R916 R919	Y740-D867 HydrophobicContact CE1-CB 4.37Å; Y740-D867 VanDerWaalsContact CE1-N 3.33Å; Y740-D867 PolarHBondContact OH-N 2.94Å; Y740-D867 PolarHBondContact OH-OD1 2.91Å; V865-D867 PolarHBondContact O-N 2.87Å; V865-D867 VanDerWaalsContact O-N 3.09Å; D867-M904 HydrophobicContact CB-CE 4.31Å; D867-A911 HydrophobicContact CB-CB 3.88Å; D867-G912 WeakPolarHBondContact O-CA 3.49Å; D867-G912 PolarHBondContact O-N 2.92Å; D867-A915 VanDerWaalsContact C-CB 3.41Å; D867-R916 HydrophobicContact CB-CB 4.45Å; D867-R919 IonicContact OD1-CZ 2.8Å; D867-R919 IonicContact OD1-NE 3.53Å; D867-R919 PolarHBondContact OD1-NE 3.4Å; D867-R919 IonicContact OD1-NH2 3.25Å; D867-R919 IonicContact OD2-CZ 3.62Å; D867-R919 IonicContact OD2-NE 3.61Å; D867-R919 PolarHBondContact OD2-NE 3.26Å; D867-R919 IonicContact OD2-NH2 2.7Å; D867-R919 PolarHBondContact OD2-NH2 3.02Å
868	R	96	Very high	96.4	Very high	91 Å²	91	9 Å²	9	34%	0.343	4%	0.038	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-29.9	178.8	174.9	174.2	170.2	161.4	-0	114.2	V865 D866 E895 D896 F899	V865-R868 PolarHBondContact O-N 3.37Å; D866-R868 PolarHBondContact O-N 3.05Å; D866-R868 VanDerWaalsContact O-N 3.13Å; R868-E895 IonicContact CZ-OE1 3.15Å; R868-E895 IonicContact NE-OE1 2.69Å; R868-E895 IonicContact NH2-OE1 2.71Å; R868-E895 PolarHBondContact NH2-OE1 2.87Å; R868-D896 PolarHBondContact O-N 2.9Å; R868-D896 VanDerWaalsContact O-N 3.13Å; R868-F899 HydrophobicContact CG-CE1 4.08Å; R868-F899 HydrophobicContact CG-CZ 4.37Å
869	W	97.1	Very high	96.5	Very high	53 Å²	53	9 Å²	9	20%	0.201	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.8	-178.5	-53.7	89.3	0	0	0	109.1	L733 I864 V865 I893 V894 E895	L733-W869 HydrophobicContact CD2-CB 3.89Å; L733-W869 HydrophobicContact CD2-CD2 3.82Å; L733-W869 HydrophobicContact CD2-CE3 3.89Å; L733-W869 HydrophobicContact CD2-CG 3.83Å; I864-W869 CarbonylContact C-O 3.16Å; I864-W869 WeakPolarHBondContact CA-O 3.31Å; V865-W869 HydrophobicContact CB-CB 4.26Å; V865-W869 PolarHBondContact N-O 3.49Å; V865-W869 PolarHBondContact O-N 2.95Å; W869-I893 HydrophobicContact CE3-CG2 3.89Å; W869-I893 HydrophobicContact CZ3-CG2 4.41Å; W869-V894 WeakPolarHBondContact CA-O 3.42Å; W869-E895 HydrophobicContact CD2-CG 4.37Å; W869-E895 HydrophobicContact CE3-CB 3.72Å; W869-E895 HydrophobicContact CE3-CG 3.91Å; W869-E895 HydrophobicContact CH2-CB 4.22Å; W869-E895 HydrophobicContact CH2-CG 3.72Å; W869-E895 VanDerWaalsContact CH2-OE1 3.25Å; W869-E895 WeakPolarHBondContact CH2-OE1 3.18Å; W869-E895 VanDerWaalsContact CH2-OE2 3.22Å; W869-E895 WeakPolarHBondContact CH2-OE2 3.49Å; W869-E895 HydrophobicContact CZ2-CG 4.17Å; W869-E895 HydrophobicContact CZ3-CB 3.56Å; W869-E895 HydrophobicContact CZ3-CG 3.59Å; W869-E895 VanDerWaalsContact CZ3-OE2 3.29Å; W869-E895 WeakPolarHBondContact CZ3-OE2 3.44Å
870	T	96.4	Very high	96.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.8	168.9	-59.7	0	0	0	0	109.1	L862 M863 I864 I893 V894 F914 L918	L862-T870 HydrophobicContact CD1-CG2 3.73Å; L862-T870 HydrophobicContact CG-CG2 4.41Å; M863-T870 CarbonylContact O-C 3.58Å; M863-T870 WeakPolarHBondContact O-CA 3.27Å; I864-T870 HydrophobicContact CG1-CG2 4.4Å; T870-I893 CarbonylContact O-C 3.39Å; T870-I893 VanDerWaalsContact O-CA 3.31Å; T870-I893 WeakPolarHBondContact O-CA 3.29Å; T870-V894 PolarHBondContact N-O 2.82Å; T870-V894 PolarHBondContact O-N 2.65Å; T870-F914 HydrophobicContact CG2-CE1 4.04Å; T870-L918 HydrophobicContact CG2-CD2 3.81Å
871	I	96.2	Very high	96.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.6	165.1	-176.8	165.3	0	0	0	109.5	L709 A729 Y730 L733 L862 M863 A891 V892 I893	L709-I871 HydrophobicContact CD1-CD1 3.59Å; A729-I871 HydrophobicContact CB-CD1 4.07Å; Y730-I871 HydrophobicContact CD2-CD1 3.73Å; Y730-I871 HydrophobicContact CD2-CG2 4.47Å; Y730-I871 HydrophobicContact CE1-CG2 4.36Å; Y730-I871 HydrophobicContact CE2-CD1 3.66Å; Y730-I871 HydrophobicContact CE2-CG1 4.07Å; Y730-I871 HydrophobicContact CE2-CG2 3.99Å; L733-I871 HydrophobicContact CD1-CB 4.32Å; L733-I871 HydrophobicContact CD1-CG2 4.2Å; L862-I871 WeakPolarHBondContact CA-O 3.26Å; M863-I871 HydrophobicContact CB-CG2 3.65Å; M863-I871 HydrophobicContact CE-CG2 3.91Å; M863-I871 PolarHBondContact N-O 3.14Å; M863-I871 PolarHBondContact O-N 3.29Å; I871-A891 HydrophobicContact CD1-CB 4.3Å; I871-A891 HydrophobicContact CG1-CB 4.13Å; I871-V892 WeakPolarHBondContact CA-O 3.43Å; I871-I893 HydrophobicContact CB-CG1 4.36Å; I871-I893 HydrophobicContact CD1-CG1 4.15Å; I871-I893 HydrophobicContact CG1-CG1 4.38Å
872	V	93.9	Very high	96.7	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.024	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	139.3	-176.2	60.8	0	0	0	0	109.7	F662 L862 A891 V892	F662-V872 HydrophobicContact CB-CG1 3.58Å; F662-V872 HydrophobicContact CB-CG2 4.3Å; F662-V872 HydrophobicContact CD2-CG1 4.16Å; F662-V872 HydrophobicContact CG-CG1 3.91Å; L862-V872 HydrophobicContact CD1-CB 3.69Å; L862-V872 HydrophobicContact CD1-CG2 3.89Å; V872-A891 CarbonylContact O-C 3.49Å; V872-A891 VanDerWaalsContact O-CA 3.25Å; V872-A891 WeakPolarHBondContact O-CA 2.85Å; V872-A891 WeakPolarHBondContact O-CB 3.48Å; V872-V892 HydrophobicContact CG1-CG1 3.53Å; V872-V892 PolarHBondContact N-O 2.76Å; V872-V892 VanDerWaalsContact N-O 3.1Å; V872-V892 PolarHBondContact O-N 3.2Å
873	G	92.8	Very high	96.5	Very high	3 Å²	3	11 Å²	11	3%	0.031	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	-158.3	-176.6	0	0	0	0	0	114.2	G495 G496 K861 V890	G495-G873 CarbonylContact C-O 3.46Å; G495-G873 CarbonylContact O-C 3.54Å; G496-G873 PolarHBondContact N-O 2.65Å; K861-G873 PolarHBondContact O-N 2.98Å; G873-V890 CarbonylContact C-O 3.54Å; G873-V890 WeakPolarHBondContact CA-O 3.39Å
874	S	93.7	Very high	96.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-95.8	-20.8	177.6	61.9	0	0	0	0	113.7	H481 K861 N876 E889 V890	H481-S874 PolarHBondContact CE1-O 3.02Å; H481-S874 PolarHBondContact ND1-O 3.06Å; H481-S874 WeakPolarHBondContact O-CB 3.25Å; K861-S874 VanDerWaalsContact CD-O 3.3Å; K861-S874 WeakPolarHBondContact CD-O 3.31Å; K861-S874 WeakPolarHBondContact CE-O 3.41Å; S874-N876 PolarHBondContact O-N 3.48Å; S874-E889 WeakPolarHBondContact CB-OE2 3.02Å; S874-E889 WeakPolarHBondContact OG-CA 3.16Å; S874-E889 PolarHBondContact OG-OE2 3.49Å; S874-V890 PolarHBondContact N-O 3.14Å; S874-V890 PolarHBondContact OG-N 2.77Å; S874-V890 PolarHBondContact OG-O 3.13Å
875	A	97.3	Very high	95.8	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.017	7%	0.065	C	C	.	.			trans	-71.2	121.7	-171	0	0	0	0	0	114.7	I726 K861 M882 E889	I726-A875 HydrophobicContact CD1-CB 3.78Å; I726-A875 HydrophobicContact CG2-CB 3.77Å; K861-A875 WeakPolarHBondContact CB-O 3.46Å; K861-A875 WeakPolarHBondContact CG-O 3.15Å; A875-M882 HydrophobicContact CB-CE 4.48Å; A875-E889 HydrophobicContact CB-CB 3.92Å; A875-E889 HydrophobicContact CB-CG 4.02Å; A875-E889 PolarHBondContact N-OE2 3.07Å
876	N	97.4	Very high	95.4	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.027	7%	0.067	C	C	.	.			trans	-79.6	161.3	174.3	-61.8	-59.4	0	0	0	112.3	N745 Q746 F747 K861 S874 N878 S881 M882	N745-N876 WeakPolarHBondContact OD1-CA 3.43Å; N745-N876 WeakPolarHBondContact OD1-CB 3.2Å; N745-N876 PolarHBondContact OD1-OD1 3.29Å; Q746-N876 WeakPolarHBondContact CB-OD1 3.35Å; Q746-N876 PolarHBondContact OE1-OD1 2.94Å; F747-N876 HydrophobicContact CB-CB 4.38Å; F747-N876 HydrophobicContact CD2-CB 3.79Å; K861-N876 WeakPolarHBondContact CE-OD1 3.43Å; K861-N876 WeakPolarHBondContact CG-OD1 3.32Å; K861-N876 PolarHBondContact NZ-OD1 3.03Å; S874-N876 PolarHBondContact O-N 3.48Å; N876-N878 PolarHBondContact O-N 2.98Å; N876-S881 PolarHBondContact N-OG 3.38Å; N876-S881 VanDerWaalsContact O-CB 3.31Å; N876-S881 WeakPolarHBondContact O-CB 3.42Å; N876-M882 WeakPolarHBondContact O-CE 3.44Å
877	I	98.1	Very high	95.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-80.1	80.7	169.4	-62.1	168.5	0	0	0	107.6	Y730 I743 N745 F747 F748 V749 T750 I761 M882	Y730-I877 HydrophobicContact CE1-CD1 4.34Å; Y730-I877 HydrophobicContact CE1-CG1 4.37Å; I743-I877 HydrophobicContact CD1-CD1 4.46Å; I743-I877 HydrophobicContact CG2-CD1 3.77Å; N745-I877 HydrophobicContact CB-CD1 4.02Å; N745-I877 HydrophobicContact CB-CG1 4.25Å; N745-I877 PolarHBondContact OD1-N 2.7Å; F747-I877 WeakPolarHBondContact O-CB 3.16Å; F748-I877 HydrophobicContact CD2-CB 4.49Å; F748-I877 HydrophobicContact CD2-CD1 4.03Å; F748-I877 HydrophobicContact CD2-CG2 4.16Å; F748-I877 HydrophobicContact CE2-CD1 4.2Å; F748-I877 HydrophobicContact CE2-CG2 4.49Å; V749-I877 PolarHBondContact N-O 2.88Å; T750-I877 HydrophobicContact CG2-CG2 3.65Å; I761-I877 HydrophobicContact CB-CG2 4.29Å; I761-I877 HydrophobicContact CD1-CG1 4.27Å; I761-I877 HydrophobicContact CD1-CG2 4Å; I761-I877 HydrophobicContact CG2-CG2 3.97Å; I877-M882 HydrophobicContact CG1-CE 4.27Å
878	N	96.9	Very high	94.9	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.032	7%	0.067	C	C	.	.	S	Bend	trans	-157.9	164.8	172.6	68.4	7.7	0	0	0	109.8	V749 N876 R880 S881 M882 T1038	V749-N878 HydrophobicContact CB-CB 3.94Å; V749-N878 WeakPolarHBondContact O-CA 3.18Å; N876-N878 PolarHBondContact O-N 2.98Å; N878-R880 VanDerWaalsContact C-N 3.3Å; N878-R880 PolarHBondContact O-N 3.31Å; N878-S881 PolarHBondContact O-N 2.88Å; N878-S881 WeakPolarHBondContact OD1-CB 3.29Å; N878-S881 PolarHBondContact OD1-N 2.86Å; N878-S881 PolarHBondContact OD1-OG 3.08Å; N878-M882 WeakPolarHBondContact O-CB 3.3Å; N878-M882 WeakPolarHBondContact O-CG 3.33Å; N878-M882 PolarHBondContact O-N 2.71Å; N878-T1038 CarbonylContact C-O 3.59Å; N878-T1038 VanDerWaalsContact CB-O 3.26Å; N878-T1038 WeakPolarHBondContact CB-O 3.31Å
879	D	96.4	Very high	94.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.3	-34.5	177.4	-82.2	8.3	0	0	0	112.5	V757 Q758 N759 S881 M882 L883 R886 T1038	V757-D879 WeakPolarHBondContact CA-OD2 3.24Å; Q758-D879 VanDerWaalsContact N-CG 3.29Å; Q758-D879 PolarHBondContact N-OD1 2.99Å; Q758-D879 PolarHBondContact N-OD2 3.5Å; N759-D879 WeakPolarHBondContact CB-OD1 3.36Å; N759-D879 PolarHBondContact N-OD1 3.06Å; N759-D879 PolarHBondContact ND2-N 3.46Å; N759-D879 PolarHBondContact ND2-OD1 3.12Å; D879-S881 VanDerWaalsContact C-N 3.29Å; D879-S881 PolarHBondContact O-N 2.99Å; D879-M882 PolarHBondContact O-N 3.02Å; D879-L883 HydrophobicContact CB-CD1 3.67Å; D879-L883 HydrophobicContact CB-CG 3.8Å; D879-L883 WeakPolarHBondContact O-CB 3.47Å; D879-L883 WeakPolarHBondContact O-CG 3.5Å; D879-L883 PolarHBondContact O-N 3.18Å; D879-L883 WeakPolarHBondContact OD2-CD1 3.28Å; D879-R886 VanDerWaalsContact CB-NH2 3.34Å; D879-R886 IonicContact OD2-CZ 3.79Å; D879-R886 IonicContact OD2-NH2 3.2Å; D879-R886 PolarHBondContact OD2-NH2 3.31Å; D879-T1038 CarbonylContact C-O 3.57Å; D879-T1038 VanDerWaalsContact CA-O 3.3Å; D879-T1038 WeakPolarHBondContact CA-O 3.21Å; D879-T1038 VanDerWaalsContact CB-O 3.32Å; D879-T1038 WeakPolarHBondContact CB-O 3.37Å; D879-T1038 PolarHBondContact N-O 3.18Å
880	R	95	Very high	94.5	Very high	39 Å²	39	9.6 Å²	9.6	15%	0.147	4%	0.044	C	C	.	.	H	α-helix	trans	-48.7	-48.2	174.6	172.6	177.3	-72.2	-81.4	1.7	112.4	L477 N878 R886 D887 L1036 T1038	L477-R880 PolarHBondContact O-NH1 3.44Å; L477-R880 PolarHBondContact O-NH2 2.75Å; N878-R880 VanDerWaalsContact C-N 3.3Å; N878-R880 PolarHBondContact O-N 3.31Å; R880-R886 VanDerWaalsContact O-CB 3.24Å; R880-R886 WeakPolarHBondContact O-CB 3.49Å; R880-D887 WeakPolarHBondContact CD-OD2 3.37Å; R880-D887 HydrophobicContact CG-CB 3.98Å; R880-D887 VanDerWaalsContact CG-OD2 3.23Å; R880-D887 WeakPolarHBondContact CG-OD2 3.47Å; R880-D887 IonicContact CZ-OD1 2.68Å; R880-D887 IonicContact CZ-OD2 3.91Å; R880-D887 IonicContact NE-OD2 2.8Å; R880-D887 IonicContact NH1-OD1 3.8Å; R880-D887 PolarHBondContact NH1-OD1 3.33Å; R880-D887 IonicContact NH1-OD2 3.99Å; R880-D887 PolarHBondContact NH1-OD2 3.06Å; R880-D887 VanDerWaalsContact NH1-OD2 3.07Å; R880-D887 PolarHBondContact O-N 2.82Å; R880-L1036 PolarHBondContact NE-O 2.97Å; R880-L1036 VanDerWaalsContact NH2-CD1 3.33Å; R880-L1036 PolarHBondContact NH2-O 2.87Å; R880-T1038 PolarHBondContact N-O 2.63Å
881	S	97.2	Very high	94.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-88.9	-31.5	179.3	-63.3	0	0	0	0	112.9	S711 N876 N878 D879 E889	S711-S881 VanDerWaalsContact CB-O 3.25Å; S711-S881 WeakPolarHBondContact CB-O 3.17Å; S711-S881 PolarHBondContact OG-O 3.3Å; N876-S881 PolarHBondContact N-OG 3.38Å; N876-S881 VanDerWaalsContact O-CB 3.31Å; N876-S881 WeakPolarHBondContact O-CB 3.42Å; N878-S881 PolarHBondContact O-N 2.88Å; N878-S881 WeakPolarHBondContact OD1-CB 3.29Å; N878-S881 PolarHBondContact OD1-N 2.86Å; N878-S881 PolarHBondContact OD1-OG 3.08Å; D879-S881 VanDerWaalsContact C-N 3.29Å; D879-S881 PolarHBondContact O-N 2.99Å; S881-E889 VanDerWaalsContact CB-OE1 3.25Å; S881-E889 WeakPolarHBondContact CB-OE1 3.11Å; S881-E889 PolarHBondContact OG-OE1 2.69Å
882	M	97.4	Very high	94.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-87.9	-30.8	-168.4	-69.6	-67.8	170.7	0	0	114.9	I726 H727 Y730 N759 I761 A875 N876 I877 N878 D879 G884	I726-M882 HydrophobicContact CG2-CE 4.23Å; I726-M882 HydrophobicContact CG2-SD 4.02Å; H727-M882 HydrophobicContact CB-CB 3.96Å; H727-M882 VanDerWaalsContact CB-O 3.24Å; H727-M882 WeakPolarHBondContact CB-O 3.32Å; H727-M882 HydrophobicContact CB-SD 3.93Å; Y730-M882 HydrophobicContact CD2-CE 3.79Å; Y730-M882 HydrophobicContact CD2-SD 4.43Å; Y730-M882 HydrophobicContact CE2-CE 3.89Å; Y730-M882 HydrophobicContact CG-CE 4.13Å; N759-M882 HydrophobicContact CB-CB 3.89Å; N759-M882 HydrophobicContact CB-CG 4.4Å; I761-M882 HydrophobicContact CD1-CE 3.69Å; I761-M882 HydrophobicContact CD1-CG 4Å; I761-M882 HydrophobicContact CD1-SD 3.82Å; A875-M882 HydrophobicContact CB-CE 4.48Å; N876-M882 WeakPolarHBondContact O-CE 3.44Å; I877-M882 HydrophobicContact CG1-CE 4.27Å; N878-M882 WeakPolarHBondContact O-CB 3.3Å; N878-M882 WeakPolarHBondContact O-CG 3.33Å; N878-M882 PolarHBondContact O-N 2.71Å; D879-M882 PolarHBondContact O-N 3.02Å; M882-G884 PolarHBondContact O-N 3.16Å
883	L	94	Very high	94.2	Very high	16 Å²	16	9.5 Å²	9.5	8%	0.084	4%	0.044	C	C	.	.	S	Bend	trans	-81	-3.5	-168.9	-61.6	-173.3	0	0	0	115.9	M722 Q758 N759 D879 K885	M722-L883 VanDerWaalsContact SD-O 3.38Å; Q758-L883 HydrophobicContact CB-CD1 4Å; Q758-L883 HydrophobicContact CB-CD2 3.88Å; N759-L883 HydrophobicContact CB-CD2 4.45Å; D879-L883 HydrophobicContact CB-CD1 3.67Å; D879-L883 HydrophobicContact CB-CG 3.8Å; D879-L883 WeakPolarHBondContact O-CB 3.47Å; D879-L883 WeakPolarHBondContact O-CG 3.5Å; D879-L883 PolarHBondContact O-N 3.18Å; D879-L883 WeakPolarHBondContact OD2-CD1 3.28Å; L883-K885 HydrophobicContact CB-CD 4.48Å; L883-K885 HydrophobicContact CB-CG 4.08Å; L883-K885 VanDerWaalsContact CD1-CE 3.48Å; L883-K885 PolarHBondContact O-N 3.28Å
884	G	90.9	Very high	94.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.043	C	C	.	.	S	Bend	trans	72.3	-36.5	-177.9	0	0	0	0	0	115.7	A712 C713 E723 M882 R886	A712-G884 CarbonylContact C-O 3.42Å; A712-G884 VanDerWaalsContact C-O 3.29Å; C713-G884 VanDerWaalsContact CB-O 3.29Å; C713-G884 WeakPolarHBondContact CB-O 3.23Å; C713-G884 PolarHBondContact SG-O 3.17Å; E723-G884 WeakPolarHBondContact O-CA 3.46Å; M882-G884 PolarHBondContact O-N 3.16Å; G884-R886 VanDerWaalsContact C-N 3.33Å; G884-R886 PolarHBondContact O-N 3.34Å
885	K	90.6	Very high	94.2	Very high	93 Å²	93	10.7 Å²	10.7	40%	0.404	5%	0.049	S	C	.	.	S	Bend	trans	-79.2	-4.3	-179.9	68.2	-166.2	179.1	-164.1	0	115.6	M722 L883	M722-K885 HydrophobicContact CG-CB 4.37Å; M722-K885 HydrophobicContact SD-CB 3.77Å; M722-K885 HydrophobicContact SD-CD 4.33Å; M722-K885 HydrophobicContact SD-CG 4.38Å; L883-K885 HydrophobicContact CB-CD 4.48Å; L883-K885 HydrophobicContact CB-CG 4.08Å; L883-K885 VanDerWaalsContact CD1-CE 3.48Å; L883-K885 PolarHBondContact O-N 3.28Å
886	R	91.5	Very high	93.9	Very high	13 Å²	13	10.6 Å²	10.6	5%	0.049	5%	0.048	C	C	.	.	S	Bend	trans	-108.8	-117	-176.8	-65.3	-173.9	-167.7	-173.9	17.4	109.2	W478 W715 D879 R880 G884 S1035 T1038	W478-R886 HydrophobicContact CD2-CB 3.83Å; W478-R886 HydrophobicContact CD2-CG 4.09Å; W478-R886 HydrophobicContact CE3-CB 3.7Å; W478-R886 HydrophobicContact CE3-CG 4Å; W478-R886 HydrophobicContact CG-CB 4.43Å; W478-R886 HydrophobicContact CH2-CB 4.4Å; W478-R886 HydrophobicContact CH2-CG 3.76Å; W478-R886 HydrophobicContact CZ2-CB 4.46Å; W478-R886 HydrophobicContact CZ2-CG 3.79Å; W478-R886 HydrophobicContact CZ3-CB 4.01Å; W478-R886 HydrophobicContact CZ3-CG 3.85Å; W715-R886 VanDerWaalsContact CZ2-O 3.31Å; W715-R886 WeakPolarHBondContact CZ2-O 3.49Å; W715-R886 PolarHBondContact NE1-O 2.88Å; D879-R886 VanDerWaalsContact CB-NH2 3.34Å; D879-R886 IonicContact OD2-CZ 3.79Å; D879-R886 IonicContact OD2-NH2 3.2Å; D879-R886 PolarHBondContact OD2-NH2 3.31Å; R880-R886 VanDerWaalsContact O-CB 3.24Å; R880-R886 WeakPolarHBondContact O-CB 3.49Å; G884-R886 VanDerWaalsContact C-N 3.33Å; G884-R886 PolarHBondContact O-N 3.34Å; R886-S1035 PolarHBondContact NH1-O 3.02Å; R886-T1038 PolarHBondContact NH1-OG1 2.91Å; R886-T1038 PolarHBondContact NH1-OXT 2.85Å; R886-T1038 PolarHBondContact NH2-OG1 3.44Å
887	D	93.3	Very high	93.6	Very high	5 Å²	5	12 Å²	12	3%	0.027	6%	0.06	C	C	.	.	S	Bend	trans	-72.1	151.1	179.6	-70.2	10	0	0	0	110.8	W478 A479 H481 R880	W478-D887 WeakPolarHBondContact CA-OD1 3.13Å; W478-D887 WeakPolarHBondContact CB-OD1 3.37Å; A479-D887 PolarHBondContact N-OD1 2.95Å; A479-D887 WeakPolarHBondContact O-CA 3.36Å; A479-D887 WeakPolarHBondContact O-CB 3.28Å; H481-D887 HydrophobicContact CB-CB 4.35Å; R880-D887 WeakPolarHBondContact CD-OD2 3.37Å; R880-D887 HydrophobicContact CG-CB 3.98Å; R880-D887 VanDerWaalsContact CG-OD2 3.23Å; R880-D887 WeakPolarHBondContact CG-OD2 3.47Å; R880-D887 IonicContact CZ-OD1 2.68Å; R880-D887 IonicContact CZ-OD2 3.91Å; R880-D887 IonicContact NE-OD2 2.8Å; R880-D887 IonicContact NH1-OD1 3.8Å; R880-D887 PolarHBondContact NH1-OD1 3.33Å; R880-D887 IonicContact NH1-OD2 3.99Å; R880-D887 PolarHBondContact NH1-OD2 3.06Å; R880-D887 VanDerWaalsContact NH1-OD2 3.07Å; R880-D887 PolarHBondContact O-N 2.82Å
888	S	91.4	Very high	93.2	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.021	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-84	136.8	167.5	51.6	0	0	0	0	111	A479 H480 H481 E482 S711	A479-S888 PolarHBondContact O-N 2.82Å; H480-S888 WeakPolarHBondContact CA-OG 3.14Å; H480-S888 PolarHBondContact ND1-OG 3.22Å; H481-S888 WeakPolarHBondContact CA-O 3.25Å; H481-S888 WeakPolarHBondContact CB-O 3.24Å; H481-S888 PolarHBondContact N-O 3.47Å; E482-S888 PolarHBondContact N-O 3.46Å; E482-S888 PolarHBondContact OE1-OG 2.96Å; E482-S888 WeakPolarHBondContact OE2-CB 3.14Å; E482-S888 VanDerWaalsContact OE2-O 3.05Å; E482-S888 PolarHBondContact OE2-OG 2.91Å; S711-S888 VanDerWaalsContact O-CA 3.26Å; S711-S888 WeakPolarHBondContact O-CA 3.41Å
889	E	94.9	Very high	93.1	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.019	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.7	-174	-56.9	-76.1	-164.1	0	0	110.1	H481 R710 S711 I726 S874 A875 S881	H481-E889 IonicContact CE1-OE1 3.24Å; H481-E889 IonicContact CE1-OE2 3.63Å; H481-E889 IonicContact CG-OE1 3.21Å; H481-E889 IonicContact CG-OE2 3.67Å; H481-E889 VanDerWaalsContact ND1-CD 3.29Å; H481-E889 IonicContact ND1-OE1 2.67Å; H481-E889 PolarHBondContact ND1-OE1 3.4Å; H481-E889 IonicContact ND1-OE2 2.84Å; H481-E889 PolarHBondContact ND1-OE2 3.05Å; R710-E889 CarbonylContact C-O 3.5Å; R710-E889 WeakPolarHBondContact CA-O 3.22Å; R710-E889 VanDerWaalsContact CB-O 3.26Å; R710-E889 WeakPolarHBondContact CB-O 3.19Å; S711-E889 PolarHBondContact N-O 3.46Å; S711-E889 PolarHBondContact O-N 3.46Å; I726-E889 HydrophobicContact CD1-CB 3.75Å; S874-E889 WeakPolarHBondContact CB-OE2 3.02Å; S874-E889 WeakPolarHBondContact OG-CA 3.16Å; S874-E889 PolarHBondContact OG-OE2 3.49Å; A875-E889 HydrophobicContact CB-CB 3.92Å; A875-E889 HydrophobicContact CB-CG 4.02Å; A875-E889 PolarHBondContact N-OE2 3.07Å; S881-E889 VanDerWaalsContact CB-OE1 3.25Å; S881-E889 WeakPolarHBondContact CB-OE1 3.11Å; S881-E889 PolarHBondContact OG-OE1 2.69Å
890	V	89.9	Confident	93	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.048	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.3	174.7	62.8	0	0	0	0	110.1	E482 I484 V494 L708 G873 S874	E482-V890 HydrophobicContact CB-CB 4.22Å; E482-V890 HydrophobicContact CB-CG1 3.78Å; I484-V890 HydrophobicContact CD1-CB 4.24Å; I484-V890 HydrophobicContact CD1-CG1 4.01Å; I484-V890 HydrophobicContact CD1-CG2 4.27Å; I484-V890 HydrophobicContact CG1-CG1 3.86Å; V494-V890 HydrophobicContact CG1-CB 4.44Å; V494-V890 HydrophobicContact CG1-CG1 3.77Å; V494-V890 HydrophobicContact CG1-CG2 3.91Å; L708-V890 HydrophobicContact CD1-CG2 4.04Å; L708-V890 HydrophobicContact CG-CG2 4.46Å; G873-V890 CarbonylContact C-O 3.54Å; G873-V890 WeakPolarHBondContact CA-O 3.39Å; S874-V890 PolarHBondContact N-O 3.14Å; S874-V890 PolarHBondContact OG-N 2.77Å; S874-V890 PolarHBondContact OG-O 3.13Å
891	A	93.9	Very high	93	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.017	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.8	167.2	0	0	0	0	0	110.9	L709 I726 I871 V872	L709-A891 HydrophobicContact CB-CB 4.41Å; L709-A891 PolarHBondContact N-O 3.23Å; L709-A891 PolarHBondContact O-N 3.37Å; L709-A891 VanDerWaalsContact O-O 3.08Å; I726-A891 HydrophobicContact CD1-CB 3.93Å; I726-A891 HydrophobicContact CG1-CB 4Å; I726-A891 HydrophobicContact CG2-CB 4.39Å; I871-A891 HydrophobicContact CD1-CB 4.3Å; I871-A891 HydrophobicContact CG1-CB 4.13Å; V872-A891 CarbonylContact O-C 3.49Å; V872-A891 VanDerWaalsContact O-CA 3.25Å; V872-A891 WeakPolarHBondContact O-CA 2.85Å; V872-A891 WeakPolarHBondContact O-CB 3.48Å
892	V	91.6	Very high	93	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.7	170.3	60.1	0	0	0	0	109.6	F662 L664 L706 K707 I871 V872	F662-V892 HydrophobicContact CD1-CG1 3.73Å; F662-V892 HydrophobicContact CE1-CG1 4.01Å; F662-V892 HydrophobicContact CG-CG1 4.19Å; L664-V892 HydrophobicContact CD2-CG2 4.37Å; L706-V892 HydrophobicContact CB-CG2 4.28Å; K707-V892 WeakPolarHBondContact O-CA 3.35Å; I871-V892 WeakPolarHBondContact CA-O 3.43Å; V872-V892 HydrophobicContact CG1-CG1 3.53Å; V872-V892 PolarHBondContact N-O 2.76Å; V872-V892 VanDerWaalsContact N-O 3.1Å; V872-V892 PolarHBondContact O-N 3.2Å
893	I	93.7	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	128.5	160.5	-58.5	167.6	0	0	0	107.9	Y356 L706 K707 L709 A729 L733 W869 T870 I871	Y356-I893 HydrophobicContact CD2-CD1 3.72Å; Y356-I893 HydrophobicContact CE2-CD1 3.33Å; L706-I893 WeakPolarHBondContact CA-O 3.17Å; K707-I893 HydrophobicContact CB-CB 4.12Å; K707-I893 HydrophobicContact CB-CD1 4.45Å; K707-I893 HydrophobicContact CD-CD1 4.39Å; K707-I893 HydrophobicContact CG-CB 4.41Å; K707-I893 PolarHBondContact N-O 3.37Å; K707-I893 PolarHBondContact O-N 3.11Å; L709-I893 HydrophobicContact CD1-CD1 3.89Å; L709-I893 HydrophobicContact CD1-CG1 3.71Å; A729-I893 HydrophobicContact CB-CD1 3.85Å; A729-I893 HydrophobicContact CB-CG1 4.48Å; L733-I893 HydrophobicContact CD1-CD1 4.35Å; L733-I893 HydrophobicContact CD1-CG1 4.36Å; W869-I893 HydrophobicContact CE3-CG2 3.89Å; W869-I893 HydrophobicContact CZ3-CG2 4.41Å; T870-I893 CarbonylContact O-C 3.39Å; T870-I893 VanDerWaalsContact O-CA 3.31Å; T870-I893 WeakPolarHBondContact O-CA 3.29Å; I871-I893 HydrophobicContact CB-CG1 4.36Å; I871-I893 HydrophobicContact CD1-CG1 4.15Å; I871-I893 HydrophobicContact CG1-CG1 4.38Å
894	V	91.8	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	115	163	-169.1	0	0	0	0	107.1	F662 A704 L706 W869 T870 F914	F662-V894 HydrophobicContact CD2-CG2 4.15Å; F662-V894 HydrophobicContact CE1-CG2 4.48Å; F662-V894 HydrophobicContact CE2-CG2 3.41Å; F662-V894 VanDerWaalsContact CE2-CG2 3.41Å; F662-V894 HydrophobicContact CZ-CG2 3.59Å; A704-V894 HydrophobicContact CB-CG1 3.62Å; L706-V894 HydrophobicContact CD2-CB 4.02Å; L706-V894 HydrophobicContact CD2-CG1 3.72Å; L706-V894 HydrophobicContact CD2-CG2 3.95Å; W869-V894 WeakPolarHBondContact CA-O 3.42Å; T870-V894 PolarHBondContact N-O 2.82Å; T870-V894 PolarHBondContact O-N 2.65Å; V894-F914 HydrophobicContact CB-CD1 3.94Å; V894-F914 HydrophobicContact CB-CE1 3.9Å; V894-F914 HydrophobicContact CG1-CB 4.35Å; V894-F914 HydrophobicContact CG1-CD1 3.49Å; V894-F914 VanDerWaalsContact CG1-CD1 3.49Å; V894-F914 HydrophobicContact CG1-CD2 4.28Å; V894-F914 HydrophobicContact CG1-CE1 3.86Å; V894-F914 HydrophobicContact CG1-CG 3.75Å; V894-F914 HydrophobicContact CG1-CZ 4.38Å; V894-F914 HydrophobicContact CG2-CD1 4.31Å; V894-F914 HydrophobicContact CG2-CE1 3.8Å; V894-F914 HydrophobicContact CG2-CZ 4.04Å
895	E	94.1	Very high	93.2	Very high	27 Å²	27	31.6 Å²	31.6	13%	0.126	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.8	163.3	178.2	179	-172.7	0	0	107.9	A704 Y705 K707 R868 W869 A897	A704-E895 CarbonylContact C-O 3.55Å; A704-E895 WeakPolarHBondContact CA-O 3.07Å; A704-E895 WeakPolarHBondContact CB-O 3.4Å; Y705-E895 HydrophobicContact CD2-CG 4.19Å; Y705-E895 PolarHBondContact N-O 3.08Å; Y705-E895 PolarHBondContact O-N 3.24Å; K707-E895 IonicContact NZ-OE2 2.74Å; K707-E895 PolarHBondContact NZ-OE2 2.88Å; R868-E895 IonicContact CZ-OE1 3.15Å; R868-E895 IonicContact NE-OE1 2.69Å; R868-E895 IonicContact NH2-OE1 2.71Å; R868-E895 PolarHBondContact NH2-OE1 2.87Å; W869-E895 HydrophobicContact CD2-CG 4.37Å; W869-E895 HydrophobicContact CE3-CB 3.72Å; W869-E895 HydrophobicContact CE3-CG 3.91Å; W869-E895 HydrophobicContact CH2-CB 4.22Å; W869-E895 HydrophobicContact CH2-CG 3.72Å; W869-E895 VanDerWaalsContact CH2-OE1 3.25Å; W869-E895 WeakPolarHBondContact CH2-OE1 3.18Å; W869-E895 VanDerWaalsContact CH2-OE2 3.22Å; W869-E895 WeakPolarHBondContact CH2-OE2 3.49Å; W869-E895 HydrophobicContact CZ2-CG 4.17Å; W869-E895 HydrophobicContact CZ3-CB 3.56Å; W869-E895 HydrophobicContact CZ3-CG 3.59Å; W869-E895 VanDerWaalsContact CZ3-OE2 3.29Å; W869-E895 WeakPolarHBondContact CZ3-OE2 3.44Å; E895-A897 PolarHBondContact O-N 3.01Å
896	D	92	Very high	93.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.4	177.1	-89.8	-79	0	0	0	112.1	R868 F899 G912 K913 F914 A915	R868-D896 PolarHBondContact O-N 2.9Å; R868-D896 VanDerWaalsContact O-N 3.13Å; D896-F899 HydrophobicContact CB-CE1 4.27Å; D896-F899 HydrophobicContact CB-CZ 4.22Å; D896-F899 WeakPolarHBondContact O-CE2 3.13Å; D896-F899 WeakPolarHBondContact O-CZ 3.49Å; D896-G912 VanDerWaalsContact CB-CA 3.44Å; D896-G912 VanDerWaalsContact CG-C 3.41Å; D896-G912 VanDerWaalsContact OD1-C 3.32Å; D896-K913 PolarHBondContact OD1-N 3.3Å; D896-K913 VanDerWaalsContact OD1-N 3.08Å; D896-F914 WeakPolarHBondContact OD1-CB 3.24Å; D896-F914 PolarHBondContact OD1-N 3.13Å; D896-A915 WeakPolarHBondContact OD2-CB 3.33Å; D896-A915 PolarHBondContact OD2-N 3.04Å
897	A	90.2	Very high	93.5	Very high	34 Å²	34	35.4 Å²	35.4	28%	0.281	20%	0.2	S	C	.	.	S	Bend	trans	-101.8	-20.1	168.5	0	0	0	0	0	112	G703 Y705 E895	G703-A897 WeakPolarHBondContact O-CB 3.45Å; G703-A897 PolarHBondContact O-N 3.07Å; Y705-A897 HydrophobicContact CD1-CB 4.47Å; Y705-A897 HydrophobicContact CD2-CB 4.25Å; Y705-A897 HydrophobicContact CE1-CB 4.04Å; Y705-A897 HydrophobicContact CE2-CB 3.78Å; E895-A897 PolarHBondContact O-N 3.01Å
898	E	90.8	Very high	93.7	Very high	70 Å²	70	41.8 Å²	41.8	33%	0.327	23%	0.234	S	C	.	.	S	Bend	trans	-107.1	132.5	175.1	-68.2	-177.7	-125.8	0	0	111.4	G703 G912 K913	G703-E898 PolarHBondContact N-OE1 2.74Å; E898-G912 WeakPolarHBondContact O-CA 3.34Å; E898-K913 HydrophobicContact CB-CD 3.83Å; E898-K913 HydrophobicContact CB-CG 4.24Å; E898-K913 PolarHBondContact O-N 2.63Å; E898-K913 IonicContact OE2-NZ 2.61Å; E898-K913 PolarHBondContact OE2-NZ 3.27Å
899	F	94.5	Very high	94	Very high	76 Å²	76	43.9 Å²	43.9	33%	0.333	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	156.4	-176.1	-62.3	-91.7	0	0	0	112	R868 D896 F910 A911	R868-F899 HydrophobicContact CG-CE1 4.08Å; R868-F899 HydrophobicContact CG-CZ 4.37Å; D896-F899 HydrophobicContact CB-CE1 4.27Å; D896-F899 HydrophobicContact CB-CZ 4.22Å; D896-F899 WeakPolarHBondContact O-CE2 3.13Å; D896-F899 WeakPolarHBondContact O-CZ 3.49Å; F899-F910 HydrophobicContact CB-CB 4.17Å; F899-F910 HydrophobicContact CD1-CB 4.49Å; F899-F910 WeakPolarHBondContact CD1-O 3.22Å; F899-A911 CarbonylContact C-O 3.53Å; F899-A911 VanDerWaalsContact CA-O 3.23Å; F899-A911 WeakPolarHBondContact CA-O 3.25Å
900	E	94.3	Very high	94	Very high	64 Å²	64	50.7 Å²	50.7	30%	0.299	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158	176.6	58.7	179.4	179	0	0	111.3	S902 F910 A911 K913 R916	E900-S902 PolarHBondContact O-N 2.71Å; E900-F910 WeakPolarHBondContact O-CA 3.45Å; E900-A911 PolarHBondContact N-O 2.69Å; E900-A911 PolarHBondContact O-N 3.46Å; E900-K913 HydrophobicContact CB-CG 4.33Å; E900-K913 HydrophobicContact CG-CG 4.05Å; E900-R916 VanDerWaalsContact OE1-CD 3.32Å; E900-R916 WeakPolarHBondContact OE1-CD 3.41Å; E900-R916 IonicContact OE1-CZ 3.53Å; E900-R916 IonicContact OE1-NE 3.93Å; E900-R916 IonicContact OE1-NH1 3.44Å; E900-R916 PolarHBondContact OE1-NH1 3.43Å; E900-R916 IonicContact OE2-NH1 2.77Å; E900-R916 PolarHBondContact OE2-NH1 3.44Å
901	A	96	Very high	94.4	Very high	80 Å²	80	50.3 Å²	50.3	66%	0.661	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	128.2	179.7	0	0	0	0	0	111.2
902	S	95.5	Very high	94.4	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	-169.5	176	-156.7	0	0	0	0	109.2	E900 Y909 R916 S940	E900-S902 PolarHBondContact O-N 2.71Å; S902-Y909 CarbonylContact C-O 3.57Å; S902-Y909 WeakPolarHBondContact CA-O 3.09Å; S902-Y909 PolarHBondContact N-O 2.95Å; S902-Y909 PolarHBondContact O-N 3.47Å; S902-Y909 VanDerWaalsContact O-O 3.07Å; S902-R916 PolarHBondContact OG-NE 3.26Å; S902-S940 PolarHBondContact OG-O 3.13Å
903	K	95	Very high	94.5	Very high	94 Å²	94	53.4 Å²	53.4	41%	0.409	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.2	174.1	-67.6	-167.2	173.2	-163.2	0	112.4	Q907 D941	K903-Q907 CarbonylContact C-O 3.59Å; K903-Q907 VanDerWaalsContact CA-O 3.24Å; K903-Q907 WeakPolarHBondContact CA-O 3.49Å; K903-D941 HydrophobicContact CB-CB 4.13Å
904	M	96.8	Very high	94.4	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.025	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	107.2	176.1	-157.4	66	67.1	0	0	109.3	H739 Y740 D867 Q907 Y909 P942 S943	H739-M904 HydrophobicContact CB-CG 3.41Å; H739-M904 VanDerWaalsContact CB-CG 3.41Å; H739-M904 HydrophobicContact CB-SD 3.64Å; Y740-M904 HydrophobicContact CD1-CE 4.22Å; Y740-M904 HydrophobicContact CD1-SD 3.92Å; Y740-M904 HydrophobicContact CE1-CE 4.12Å; Y740-M904 HydrophobicContact CE1-SD 4.39Å; D867-M904 HydrophobicContact CB-CE 4.31Å; M904-Q907 PolarHBondContact N-O 3.36Å; M904-Q907 WeakPolarHBondContact O-CB 3.36Å; M904-Q907 PolarHBondContact O-N 3.02Å; M904-Y909 HydrophobicContact CB-CD1 4.28Å; M904-Y909 HydrophobicContact CB-CD2 3.99Å; M904-Y909 HydrophobicContact CB-CG 3.72Å; M904-Y909 HydrophobicContact CE-CD1 3.66Å; M904-Y909 HydrophobicContact CE-CE1 3.7Å; M904-Y909 HydrophobicContact CE-CG 4.26Å; M904-Y909 HydrophobicContact CG-CD2 4.49Å; M904-Y909 HydrophobicContact CG-CG 4.45Å; M904-P942 HydrophobicContact CE-CG 4.38Å; M904-P942 HydrophobicContact SD-CG 4.18Å; M904-S943 WeakPolarHBondContact CG-OG 3.45Å; M904-S943 PolarHBondContact SD-OG 3.18Å
905	N	95.6	Very high	94.5	Very high	73 Å²	73	53.6 Å²	53.6	39%	0.39	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	48.8	-172.1	-169.3	48.6	0	0	0	112.6	A778 Q907 D941 S943	A778-N905 HydrophobicContact CB-CB 4.17Å; A778-N905 VanDerWaalsContact CB-CG 3.46Å; A778-N905 VanDerWaalsContact CB-ND2 3.34Å; A778-N905 WeakPolarHBondContact CB-ND2 3.44Å; N905-Q907 PolarHBondContact O-N 3.26Å; N905-Q907 VanDerWaalsContact O-N 3.11Å; N905-D941 VanDerWaalsContact CA-OD2 3.29Å; N905-D941 WeakPolarHBondContact CA-OD2 3.41Å; N905-D941 PolarHBondContact N-OD1 2.88Å; N905-D941 PolarHBondContact N-OD2 3.47Å; N905-S943 PolarHBondContact N-OG 2.99Å
906	G	94.1	Very high	94.5	Very high	45 Å²	45	54.4 Å²	54.4	46%	0.464	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-17.1	-178.9	0	0	0	0	0	115.2	D941	G906-D941 PolarHBondContact N-OD2 2.82Å
907	Q	95.2	Very high	94.7	Very high	142 Å²	142	56.5 Å²	56.5	66%	0.664	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	150.5	177.6	-55.9	-58.4	-42.7	0	0	111.2	K903 M904 N905	K903-Q907 CarbonylContact C-O 3.59Å; K903-Q907 VanDerWaalsContact CA-O 3.24Å; K903-Q907 WeakPolarHBondContact CA-O 3.49Å; M904-Q907 PolarHBondContact N-O 3.36Å; M904-Q907 WeakPolarHBondContact O-CB 3.36Å; M904-Q907 PolarHBondContact O-N 3.02Å; N905-Q907 PolarHBondContact O-N 3.26Å; N905-Q907 VanDerWaalsContact O-N 3.11Å
908	D	96.6	Very high	94.9	Very high	139 Å²	139	55 Å²	55	74%	0.743	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.4	173.5	-66.2	-27	0	0	0	110.3
909	Y	96.8	Very high	95.1	Very high	47 Å²	47	51.7 Å²	51.7	18%	0.184	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.5	-174.1	-175.1	-102.6	0	0	0	111	H739 D866 S902 M904 A911	H739-Y909 AromaticContact NE2-CE2 3.81Å; D866-Y909 VanDerWaalsContact O-CE1 3.31Å; D866-Y909 WeakPolarHBondContact O-CE1 3.25Å; D866-Y909 PolarHBondContact O-OH 2.98Å; S902-Y909 CarbonylContact C-O 3.57Å; S902-Y909 WeakPolarHBondContact CA-O 3.09Å; S902-Y909 PolarHBondContact N-O 2.95Å; S902-Y909 PolarHBondContact O-N 3.47Å; S902-Y909 VanDerWaalsContact O-O 3.07Å; M904-Y909 HydrophobicContact CB-CD1 4.28Å; M904-Y909 HydrophobicContact CB-CD2 3.99Å; M904-Y909 HydrophobicContact CB-CG 3.72Å; M904-Y909 HydrophobicContact CE-CD1 3.66Å; M904-Y909 HydrophobicContact CE-CE1 3.7Å; M904-Y909 HydrophobicContact CE-CG 4.26Å; M904-Y909 HydrophobicContact CG-CD2 4.49Å; M904-Y909 HydrophobicContact CG-CG 4.45Å; Y909-A911 HydrophobicContact CD1-CB 4.03Å; Y909-A911 HydrophobicContact CE1-CB 4.18Å; Y909-A911 PolarHBondContact O-N 2.73Å
910	F	96.5	Very high	95.2	Very high	146 Å²	146	50.3 Å²	50.3	64%	0.64	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	98.9	172	-74	-77.8	0	0	0	109.2	F899 E900	F899-F910 HydrophobicContact CB-CB 4.17Å; F899-F910 HydrophobicContact CD1-CB 4.49Å; F899-F910 WeakPolarHBondContact CD1-O 3.22Å; E900-F910 WeakPolarHBondContact O-CA 3.45Å
911	A	96.6	Very high	95.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	142.7	178.5	0	0	0	0	0	110.7	D867 F899 E900 Y909 R916	D867-A911 HydrophobicContact CB-CB 3.88Å; F899-A911 CarbonylContact C-O 3.53Å; F899-A911 VanDerWaalsContact CA-O 3.23Å; F899-A911 WeakPolarHBondContact CA-O 3.25Å; E900-A911 PolarHBondContact N-O 2.69Å; E900-A911 PolarHBondContact O-N 3.46Å; Y909-A911 HydrophobicContact CD1-CB 4.03Å; Y909-A911 HydrophobicContact CE1-CB 4.18Å; Y909-A911 PolarHBondContact O-N 2.73Å; A911-R916 HydrophobicContact CB-CB 4.21Å; A911-R916 HydrophobicContact CB-CG 4.43Å
912	G	95	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.8	173.4	0	0	0	0	0	111.4	D867 D896 E898 F914 A915 R916	D867-G912 WeakPolarHBondContact O-CA 3.49Å; D867-G912 PolarHBondContact O-N 2.92Å; D896-G912 VanDerWaalsContact CB-CA 3.44Å; D896-G912 VanDerWaalsContact CG-C 3.41Å; D896-G912 VanDerWaalsContact OD1-C 3.32Å; E898-G912 WeakPolarHBondContact O-CA 3.34Å; G912-F914 VanDerWaalsContact C-N 3.3Å; G912-F914 PolarHBondContact O-N 2.99Å; G912-A915 PolarHBondContact O-N 3.48Å; G912-R916 WeakPolarHBondContact O-CB 3.47Å; G912-R916 PolarHBondContact O-N 3.3Å
913	K	93.5	Very high	95.1	Very high	69 Å²	69	45.3 Å²	45.3	30%	0.3	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-39.5	-174.8	-68.3	-176.5	-173.8	171.6	0	112.5	D896 E898 E900 S917	D896-K913 PolarHBondContact OD1-N 3.3Å; D896-K913 VanDerWaalsContact OD1-N 3.08Å; E898-K913 HydrophobicContact CB-CD 3.83Å; E898-K913 HydrophobicContact CB-CG 4.24Å; E898-K913 PolarHBondContact O-N 2.63Å; E898-K913 IonicContact OE2-NZ 2.61Å; E898-K913 PolarHBondContact OE2-NZ 3.27Å; E900-K913 HydrophobicContact CB-CG 4.33Å; E900-K913 HydrophobicContact CG-CG 4.05Å; K913-S917 WeakPolarHBondContact O-CB 3.34Å; K913-S917 PolarHBondContact O-N 3.02Å; K913-S917 PolarHBondContact O-OG 3.36Å
914	F	91	Very high	95	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-55.9	-179.6	179.3	-84	0	0	0	111.2	W370 F662 T870 V894 D896 G912 R916 S917 L918	W370-F914 HydrophobicContact CB-CE2 4.05Å; W370-F914 HydrophobicContact CB-CZ 3.72Å; W370-F914 AromaticContact CD1-CD2 3.86Å; W370-F914 AromaticContact CD1-CE2 3.4Å; W370-F914 AromaticContact CD1-CZ 3.53Å; W370-F914 HydrophobicContact CG-CE2 4.08Å; W370-F914 HydrophobicContact CG-CZ 4.02Å; F662-F914 AromaticContact CD2-CE2 3.98Å; F662-F914 HydrophobicContact CD2-CE2 3.98Å; F662-F914 AromaticContact CD2-CZ 3.57Å; F662-F914 HydrophobicContact CD2-CZ 3.57Å; F662-F914 HydrophobicContact CE2-CD2 4.46Å; F662-F914 HydrophobicContact CE2-CE1 4.24Å; F662-F914 AromaticContact CE2-CE2 3.42Å; F662-F914 HydrophobicContact CE2-CE2 3.42Å; F662-F914 VanDerWaalsContact CE2-CE2 3.42Å; F662-F914 AromaticContact CE2-CZ 3.3Å; F662-F914 HydrophobicContact CE2-CZ 3.3Å; T870-F914 HydrophobicContact CG2-CE1 4.04Å; V894-F914 HydrophobicContact CB-CD1 3.94Å; V894-F914 HydrophobicContact CB-CE1 3.9Å; V894-F914 HydrophobicContact CG1-CB 4.35Å; V894-F914 HydrophobicContact CG1-CD1 3.49Å; V894-F914 VanDerWaalsContact CG1-CD1 3.49Å; V894-F914 HydrophobicContact CG1-CD2 4.28Å; V894-F914 HydrophobicContact CG1-CE1 3.86Å; V894-F914 HydrophobicContact CG1-CG 3.75Å; V894-F914 HydrophobicContact CG1-CZ 4.38Å; V894-F914 HydrophobicContact CG2-CD1 4.31Å; V894-F914 HydrophobicContact CG2-CE1 3.8Å; V894-F914 HydrophobicContact CG2-CZ 4.04Å; D896-F914 WeakPolarHBondContact OD1-CB 3.24Å; D896-F914 PolarHBondContact OD1-N 3.13Å; G912-F914 VanDerWaalsContact C-N 3.3Å; G912-F914 PolarHBondContact O-N 2.99Å; F914-R916 PolarHBondContact O-N 3.03Å; F914-S917 PolarHBondContact O-N 3.37Å; F914-S917 PolarHBondContact O-OG 3.36Å; F914-L918 HydrophobicContact CE1-CD2 4.44Å; F914-L918 PolarHBondContact O-N 3.5Å; F914-L918 VanDerWaalsContact O-N 3.12Å
915	A	94.8	Very high	94.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.7	-42.7	-178.3	0	0	0	0	0	111.7	I864 D867 D896 G912 R919	I864-A915 HydrophobicContact CG2-CB 4.11Å; D867-A915 VanDerWaalsContact C-CB 3.41Å; D896-A915 WeakPolarHBondContact OD2-CB 3.33Å; D896-A915 PolarHBondContact OD2-N 3.04Å; G912-A915 PolarHBondContact O-N 3.48Å; A915-R919 VanDerWaalsContact O-CB 3.28Å; A915-R919 WeakPolarHBondContact O-CB 3.24Å; A915-R919 PolarHBondContact O-N 2.97Å
916	R	95.2	Very high	94.7	Very high	44 Å²	44	42.6 Å²	42.6	17%	0.166	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-50	175.7	-177.6	164.1	-178.9	-103.2	13.9	112	D867 E900 S902 A911 G912 F914 L918 R919 H920	D867-R916 HydrophobicContact CB-CB 4.45Å; E900-R916 VanDerWaalsContact OE1-CD 3.32Å; E900-R916 WeakPolarHBondContact OE1-CD 3.41Å; E900-R916 IonicContact OE1-CZ 3.53Å; E900-R916 IonicContact OE1-NE 3.93Å; E900-R916 IonicContact OE1-NH1 3.44Å; E900-R916 PolarHBondContact OE1-NH1 3.43Å; E900-R916 IonicContact OE2-NH1 2.77Å; E900-R916 PolarHBondContact OE2-NH1 3.44Å; S902-R916 PolarHBondContact OG-NE 3.26Å; A911-R916 HydrophobicContact CB-CB 4.21Å; A911-R916 HydrophobicContact CB-CG 4.43Å; G912-R916 WeakPolarHBondContact O-CB 3.47Å; G912-R916 PolarHBondContact O-N 3.3Å; F914-R916 PolarHBondContact O-N 3.03Å; R916-L918 VanDerWaalsContact C-N 3.32Å; R916-L918 PolarHBondContact O-N 3.2Å; R916-R919 PolarHBondContact O-N 3.23Å; R916-H920 VanDerWaalsContact CG-CD2 3.45Å; R916-H920 WeakPolarHBondContact CG-CD2 3.39Å; R916-H920 PolarHBondContact NE-NE2 3.05Å; R916-H920 WeakPolarHBondContact O-CB 3.43Å; R916-H920 PolarHBondContact O-CD2 3.49Å; R916-H920 PolarHBondContact O-N 3.17Å
917	S	94.2	Very high	94.7	Very high	45 Å²	45	40.5 Å²	40.5	32%	0.315	19%	0.186	S	C	.	.	H	α-helix	trans	-61.6	-39.7	-178.4	59.9	0	0	0	0	112.6	W370 K913 F914 R921	W370-S917 PolarHBondContact NE1-OG 3.11Å; K913-S917 WeakPolarHBondContact O-CB 3.34Å; K913-S917 PolarHBondContact O-N 3.02Å; K913-S917 PolarHBondContact O-OG 3.36Å; F914-S917 PolarHBondContact O-N 3.37Å; F914-S917 PolarHBondContact O-OG 3.36Å; S917-R921 WeakPolarHBondContact O-CB 3.22Å; S917-R921 PolarHBondContact O-N 3.21Å
918	L	94.3	Very high	94.4	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-53.8	172.7	179.2	52.9	0	0	0	110.9	W370 V372 L862 I864 T870 F914 R916 H920 R921 L922	W370-L918 HydrophobicContact CB-CD1 3.97Å; W370-L918 HydrophobicContact CB-CD2 4.2Å; W370-L918 HydrophobicContact CB-CG 4.48Å; W370-L918 HydrophobicContact CD2-CB 4.15Å; W370-L918 HydrophobicContact CD2-CD1 3.77Å; W370-L918 HydrophobicContact CD2-CG 4.5Å; W370-L918 HydrophobicContact CE3-CD1 3.96Å; W370-L918 HydrophobicContact CG-CB 3.91Å; W370-L918 HydrophobicContact CG-CD1 3.78Å; W370-L918 HydrophobicContact CG-CD2 4.35Å; W370-L918 HydrophobicContact CG-CG 4.21Å; V372-L918 HydrophobicContact CG2-CD1 3.84Å; L862-L918 HydrophobicContact CD1-CD2 4Å; L862-L918 HydrophobicContact CD2-CD2 3.89Å; L862-L918 HydrophobicContact CD2-CG 4.42Å; I864-L918 HydrophobicContact CD1-CB 4.44Å; I864-L918 HydrophobicContact CD1-CD2 4.09Å; I864-L918 HydrophobicContact CD1-CG 3.98Å; T870-L918 HydrophobicContact CG2-CD2 3.81Å; F914-L918 HydrophobicContact CE1-CD2 4.44Å; F914-L918 PolarHBondContact O-N 3.5Å; F914-L918 VanDerWaalsContact O-N 3.12Å; R916-L918 VanDerWaalsContact C-N 3.32Å; R916-L918 PolarHBondContact O-N 3.2Å; L918-H920 VanDerWaalsContact C-N 3.29Å; L918-H920 PolarHBondContact O-N 3.43Å; L918-R921 WeakPolarHBondContact O-CB 3.44Å; L918-R921 PolarHBondContact O-N 3.42Å; L918-R921 VanDerWaalsContact O-N 3.1Å; L918-L922 HydrophobicContact CD1-CD1 3.72Å; L918-L922 HydrophobicContact CD1-CG 4.04Å; L918-L922 HydrophobicContact CG-CD1 3.84Å; L918-L922 VanDerWaalsContact O-CG 3.23Å; L918-L922 WeakPolarHBondContact O-CG 3.47Å; L918-L922 PolarHBondContact O-N 2.85Å
919	R	96.9	Very high	93.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.6	-36.2	-178.3	-167	-92.2	-50.9	141.4	-1.3	112.3	Y740 I864 D867 A915 R916 F923 I939	Y740-R919 WeakPolarHBondContact OH-CG 3.47Å; I864-R919 HydrophobicContact CD1-CB 3.7Å; I864-R919 HydrophobicContact CD1-CG 4.15Å; D867-R919 IonicContact OD1-CZ 2.8Å; D867-R919 IonicContact OD1-NE 3.53Å; D867-R919 PolarHBondContact OD1-NE 3.4Å; D867-R919 IonicContact OD1-NH2 3.25Å; D867-R919 IonicContact OD2-CZ 3.62Å; D867-R919 IonicContact OD2-NE 3.61Å; D867-R919 PolarHBondContact OD2-NE 3.26Å; D867-R919 IonicContact OD2-NH2 2.7Å; D867-R919 PolarHBondContact OD2-NH2 3.02Å; A915-R919 VanDerWaalsContact O-CB 3.28Å; A915-R919 WeakPolarHBondContact O-CB 3.24Å; A915-R919 PolarHBondContact O-N 2.97Å; R916-R919 PolarHBondContact O-N 3.23Å; R919-F923 VanDerWaalsContact CD-CE2 3.47Å; R919-F923 HydrophobicContact CG-CE1 4.17Å; R919-F923 HydrophobicContact CG-CE2 4.48Å; R919-F923 HydrophobicContact CG-CZ 4.15Å; R919-F923 WeakPolarHBondContact O-CB 3.45Å; R919-F923 WeakPolarHBondContact O-CG 3.44Å; R919-F923 PolarHBondContact O-N 3.37Å; R919-I939 PolarHBondContact NH1-O 3.26Å
920	H	94.9	Very high	92.9	Very high	48 Å²	48	33.7 Å²	33.7	22%	0.222	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-53	169.7	-86.7	-118.5	0	0	0	111.7	R916 L918 L922 F923 Y924 I939	R916-H920 VanDerWaalsContact CG-CD2 3.45Å; R916-H920 WeakPolarHBondContact CG-CD2 3.39Å; R916-H920 PolarHBondContact NE-NE2 3.05Å; R916-H920 WeakPolarHBondContact O-CB 3.43Å; R916-H920 PolarHBondContact O-CD2 3.49Å; R916-H920 PolarHBondContact O-N 3.17Å; L918-H920 VanDerWaalsContact C-N 3.29Å; L918-H920 PolarHBondContact O-N 3.43Å; H920-L922 PolarHBondContact O-N 3.06Å; H920-F923 PolarHBondContact O-N 3.16Å; H920-Y924 WeakPolarHBondContact O-CB 3.41Å; H920-Y924 PolarHBondContact O-N 3.3Å; H920-I939 HydrophobicContact CB-CD1 4.25Å
921	R	93.5	Very high	91.8	Very high	48 Å²	48	33.6 Å²	33.6	18%	0.181	15%	0.148	C	C	.	.	H	α-helix	trans	-55.6	-37.7	-179.6	170.9	69.6	-175.9	75.2	14.7	112.5	W370 V372 D373 S917 L918 E925	W370-R921 HydrophobicContact CH2-CB 3.51Å; W370-R921 HydrophobicContact CH2-CG 3.58Å; W370-R921 HydrophobicContact CZ2-CB 4.1Å; W370-R921 HydrophobicContact CZ3-CB 3.98Å; W370-R921 HydrophobicContact CZ3-CG 3.6Å; V372-R921 HydrophobicContact CB-CG 4.3Å; V372-R921 HydrophobicContact CG2-CG 3.78Å; D373-R921 IonicContact OD2-NH2 3.6Å; S917-R921 WeakPolarHBondContact O-CB 3.22Å; S917-R921 PolarHBondContact O-N 3.21Å; L918-R921 WeakPolarHBondContact O-CB 3.44Å; L918-R921 PolarHBondContact O-N 3.42Å; L918-R921 VanDerWaalsContact O-N 3.1Å; R921-E925 IonicContact CZ-OE2 3.62Å; R921-E925 IonicContact NH1-OE2 3.7Å; R921-E925 PolarHBondContact NH1-OE2 2.93Å; R921-E925 IonicContact NH2-OE2 3.54Å; R921-E925 PolarHBondContact NH2-OE2 3.35Å; R921-E925 PolarHBondContact O-N 3.44Å
922	L	95.1	Very high	90.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-75	-45.7	-179.4	-64.2	171.3	0	0	0	112.4	V372 Y742 L862 I864 L918 H920 Y924 E925 H926	V372-L922 HydrophobicContact CB-CD2 4.2Å; V372-L922 HydrophobicContact CG1-CD2 3.59Å; V372-L922 HydrophobicContact CG2-CD2 3.47Å; V372-L922 VanDerWaalsContact CG2-CD2 3.47Å; V372-L922 HydrophobicContact CG2-CG 4.24Å; Y742-L922 HydrophobicContact CE1-CD1 3.91Å; L862-L922 HydrophobicContact CD2-CD1 3.98Å; I864-L922 HydrophobicContact CD1-CD1 4.29Å; L918-L922 HydrophobicContact CD1-CD1 3.72Å; L918-L922 HydrophobicContact CD1-CG 4.04Å; L918-L922 HydrophobicContact CG-CD1 3.84Å; L918-L922 VanDerWaalsContact O-CG 3.23Å; L918-L922 WeakPolarHBondContact O-CG 3.47Å; L918-L922 PolarHBondContact O-N 2.85Å; H920-L922 PolarHBondContact O-N 3.06Å; L922-Y924 VanDerWaalsContact C-N 3.25Å; L922-Y924 PolarHBondContact O-N 3.33Å; L922-E925 WeakPolarHBondContact O-CB 3.4Å; L922-E925 PolarHBondContact O-N 2.88Å; L922-H926 VanDerWaalsContact O-CG 3.25Å; L922-H926 PolarHBondContact O-N 3.33Å
923	F	95.6	Very high	89.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-35.4	175.1	-74.6	12.3	0	0	0	111.3	Y742 R919 H920 E925 L927 I939 P942 F947 W951	Y742-F923 AromaticContact CD2-CE1 3.76Å; Y742-F923 HydrophobicContact CD2-CE1 3.76Å; Y742-F923 HydrophobicContact CD2-CZ 4.4Å; Y742-F923 AromaticContact CE2-CE1 3.81Å; Y742-F923 HydrophobicContact CE2-CE1 3.81Å; Y742-F923 HydrophobicContact CG-CE1 4.48Å; R919-F923 VanDerWaalsContact CD-CE2 3.47Å; R919-F923 HydrophobicContact CG-CE1 4.17Å; R919-F923 HydrophobicContact CG-CE2 4.48Å; R919-F923 HydrophobicContact CG-CZ 4.15Å; R919-F923 WeakPolarHBondContact O-CB 3.45Å; R919-F923 WeakPolarHBondContact O-CG 3.44Å; R919-F923 PolarHBondContact O-N 3.37Å; H920-F923 PolarHBondContact O-N 3.16Å; F923-E925 VanDerWaalsContact C-N 3.3Å; F923-E925 PolarHBondContact O-N 3.31Å; F923-L927 HydrophobicContact CB-CD1 4.45Å; F923-L927 VanDerWaalsContact O-CB 3.22Å; F923-L927 WeakPolarHBondContact O-CB 3.45Å; F923-L927 VanDerWaalsContact O-CG 3.31Å; F923-L927 WeakPolarHBondContact O-CG 3.46Å; F923-L927 PolarHBondContact O-N 3.04Å; F923-I939 HydrophobicContact CB-CB 4.43Å; F923-I939 HydrophobicContact CB-CD1 4.28Å; F923-I939 HydrophobicContact CB-CG2 4.26Å; F923-I939 HydrophobicContact CD2-CB 4.3Å; F923-P942 HydrophobicContact CE2-CB 3.99Å; F923-P942 HydrophobicContact CZ-CB 4.35Å; F923-F947 AromaticContact CD2-CE1 3.83Å; F923-F947 HydrophobicContact CD2-CE1 3.83Å; F923-F947 HydrophobicContact CD2-CE2 4.33Å; F923-F947 AromaticContact CD2-CZ 3.4Å; F923-F947 HydrophobicContact CD2-CZ 3.4Å; F923-F947 VanDerWaalsContact CD2-CZ 3.4Å; F923-F947 HydrophobicContact CE2-CD1 4.37Å; F923-F947 AromaticContact CE2-CE1 3.3Å; F923-F947 HydrophobicContact CE2-CE1 3.3Å; F923-F947 AromaticContact CE2-CZ 3.43Å; F923-F947 HydrophobicContact CE2-CZ 3.43Å; F923-F947 VanDerWaalsContact CE2-CZ 3.43Å; F923-F947 HydrophobicContact CG-CZ 4.33Å; F923-F947 HydrophobicContact CZ-CE1 4.05Å; F923-F947 HydrophobicContact CZ-CZ 4.37Å; F923-W951 HydrophobicContact CD1-CH2 4.05Å; F923-W951 AromaticContact CD1-CZ3 3.71Å; F923-W951 HydrophobicContact CD1-CZ3 3.71Å; F923-W951 HydrophobicContact CD2-CZ3 4.42Å; F923-W951 HydrophobicContact CE1-CH2 4.02Å; F923-W951 AromaticContact CE1-CZ3 3.81Å; F923-W951 HydrophobicContact CE1-CZ3 3.81Å; F923-W951 HydrophobicContact CG-CZ3 4.03Å; F923-W951 HydrophobicContact CZ-CZ3 4.21Å
924	Y	92.2	Very high	88	Confident	105 Å²	105	49.4 Å²	49.4	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-64	-33	176.7	-162.8	-99.9	0	0	0	113	H920 L922 G928 L929 R930	H920-Y924 WeakPolarHBondContact O-CB 3.41Å; H920-Y924 PolarHBondContact O-N 3.3Å; L922-Y924 VanDerWaalsContact C-N 3.25Å; L922-Y924 PolarHBondContact O-N 3.33Å; Y924-G928 PolarHBondContact O-N 2.86Å; Y924-L929 HydrophobicContact CD2-CB 3.39Å; Y924-L929 HydrophobicContact CD2-CD1 4.12Å; Y924-L929 HydrophobicContact CD2-CG 4.35Å; Y924-L929 HydrophobicContact CE2-CB 3.49Å; Y924-L929 VanDerWaalsContact CE2-CB 3.49Å; Y924-L929 WeakPolarHBondContact CE2-O 3.32Å; Y924-L929 HydrophobicContact CG-CB 3.93Å; Y924-L929 VanDerWaalsContact CZ-C 3.48Å; Y924-L929 VanDerWaalsContact CZ-O 3.24Å; Y924-L929 PolarHBondContact O-N 3.13Å; Y924-L929 PolarHBondContact OH-O 3.15Å; Y924-L929 VanDerWaalsContact OH-O 3.05Å; Y924-R930 HydrophobicContact CD1-CB 4.1Å; Y924-R930 VanDerWaalsContact CE1-CA 3.42Å; Y924-R930 HydrophobicContact CE1-CB 3.54Å; Y924-R930 HydrophobicContact CE1-CG 4.15Å
925	E	91.7	Very high	87.2	Confident	10 Å²	10	52.4 Å²	52.4	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-74	-56	173	-171	168.3	90.2	0	0	111.8	S507 H509 R921 L922 F923 L927 G928	S507-E925 VanDerWaalsContact CB-OE2 3.29Å; S507-E925 WeakPolarHBondContact CB-OE2 3.3Å; H509-E925 IonicContact NE2-OE1 2.71Å; R921-E925 IonicContact CZ-OE2 3.62Å; R921-E925 IonicContact NH1-OE2 3.7Å; R921-E925 PolarHBondContact NH1-OE2 2.93Å; R921-E925 IonicContact NH2-OE2 3.54Å; R921-E925 PolarHBondContact NH2-OE2 3.35Å; R921-E925 PolarHBondContact O-N 3.44Å; L922-E925 WeakPolarHBondContact O-CB 3.4Å; L922-E925 PolarHBondContact O-N 2.88Å; F923-E925 VanDerWaalsContact C-N 3.3Å; F923-E925 PolarHBondContact O-N 3.31Å; E925-L927 VanDerWaalsContact C-N 3.29Å; E925-L927 PolarHBondContact O-N 3.28Å; E925-G928 WeakPolarHBondContact O-CA 3.31Å; E925-G928 PolarHBondContact O-N 3.24Å
926	H	94.3	Very high	86.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.3	-31.1	-169.6	-61.7	-9.2	0	0	0	112.4	E744 L841 L922 W951 G1006 N1007 L1008	E744-H926 IonicContact OE1-CD2 2.68Å; E744-H926 IonicContact OE1-CE1 3.08Å; E744-H926 IonicContact OE1-NE2 2.84Å; E744-H926 PolarHBondContact OE1-NE2 3.13Å; L841-H926 VanDerWaalsContact CD1-CE1 3.42Å; L841-H926 WeakPolarHBondContact CD1-CE1 3.19Å; L841-H926 HydrophobicContact CD2-CB 4.04Å; L922-H926 VanDerWaalsContact O-CG 3.25Å; L922-H926 PolarHBondContact O-N 3.33Å; H926-W951 HydrophobicContact CB-CH2 4.41Å; H926-G1006 WeakPolarHBondContact O-CA 3.36Å; H926-N1007 PolarHBondContact O-N 2.88Å; H926-L1008 PolarHBondContact O-N 2.92Å; H926-L1008 VanDerWaalsContact O-N 3.15Å
927	L	94.5	Very high	86.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	2	173.2	-54	174.6	0	0	0	113	F923 E925 L929 I937 I939 F947 W951 I954 T1005 L1008	F923-L927 HydrophobicContact CB-CD1 4.45Å; F923-L927 VanDerWaalsContact O-CB 3.22Å; F923-L927 WeakPolarHBondContact O-CB 3.45Å; F923-L927 VanDerWaalsContact O-CG 3.31Å; F923-L927 WeakPolarHBondContact O-CG 3.46Å; F923-L927 PolarHBondContact O-N 3.04Å; E925-L927 VanDerWaalsContact C-N 3.29Å; E925-L927 PolarHBondContact O-N 3.28Å; L927-L929 VanDerWaalsContact C-N 3.33Å; L927-L929 HydrophobicContact CB-CD1 4.3Å; L927-L929 HydrophobicContact CB-CD2 4.26Å; L927-L929 HydrophobicContact CB-CG 3.94Å; L927-L929 PolarHBondContact O-N 3.14Å; L927-I937 HydrophobicContact CD1-CG2 4.29Å; L927-I939 HydrophobicContact CD1-CG2 4.07Å; L927-F947 HydrophobicContact CD1-CE2 4.02Å; L927-F947 HydrophobicContact CD1-CZ 4.09Å; L927-W951 HydrophobicContact CD1-CE3 4.34Å; L927-W951 HydrophobicContact CD1-CZ3 4.34Å; L927-W951 HydrophobicContact CD2-CE3 4.02Å; L927-W951 HydrophobicContact CD2-CZ3 4.16Å; L927-W951 HydrophobicContact CG-CE3 4.44Å; L927-W951 HydrophobicContact CG-CZ3 4.23Å; L927-I954 HydrophobicContact CD2-CD1 4.03Å; L927-I954 HydrophobicContact CD2-CG2 4.28Å; L927-T1005 WeakPolarHBondContact O-CG2 3.48Å; L927-L1008 HydrophobicContact CD2-CD2 4Å
928	G	89.2	Confident	86.3	Confident	13 Å²	13	60.3 Å²	60.3	13%	0.134	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	24.7	172.3	0	0	0	0	0	115.3	Y924 E925 R930 S934	Y924-G928 PolarHBondContact O-N 2.86Å; E925-G928 WeakPolarHBondContact O-CA 3.31Å; E925-G928 PolarHBondContact O-N 3.24Å; G928-R930 PolarHBondContact O-N 3.35Å; G928-R930 VanDerWaalsContact O-N 3.1Å; G928-S934 PolarHBondContact O-OG 3Å
929	L	87.3	Confident	86.3	Confident	15 Å²	15	61 Å²	61	8%	0.079	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.5	-169.4	-59	-178.1	0	0	0	114.6	Y924 L927 P935 I937 I939	Y924-L929 HydrophobicContact CD2-CB 3.39Å; Y924-L929 HydrophobicContact CD2-CD1 4.12Å; Y924-L929 HydrophobicContact CD2-CG 4.35Å; Y924-L929 HydrophobicContact CE2-CB 3.49Å; Y924-L929 VanDerWaalsContact CE2-CB 3.49Å; Y924-L929 WeakPolarHBondContact CE2-O 3.32Å; Y924-L929 HydrophobicContact CG-CB 3.93Å; Y924-L929 VanDerWaalsContact CZ-C 3.48Å; Y924-L929 VanDerWaalsContact CZ-O 3.24Å; Y924-L929 PolarHBondContact O-N 3.13Å; Y924-L929 PolarHBondContact OH-O 3.15Å; Y924-L929 VanDerWaalsContact OH-O 3.05Å; L927-L929 VanDerWaalsContact C-N 3.33Å; L927-L929 HydrophobicContact CB-CD1 4.3Å; L927-L929 HydrophobicContact CB-CD2 4.26Å; L927-L929 HydrophobicContact CB-CG 3.94Å; L927-L929 PolarHBondContact O-N 3.14Å; L929-P935 WeakPolarHBondContact CD2-O 3.32Å; L929-I937 HydrophobicContact CD1-CB 4.2Å; L929-I937 HydrophobicContact CD2-CB 3.99Å; L929-I937 HydrophobicContact CD2-CD1 4.06Å; L929-I937 HydrophobicContact CD2-CG1 4.09Å; L929-I939 HydrophobicContact CD1-CG2 3.76Å
930	R	75.3	Confident	86.1	Confident	157 Å²	157	62.2 Å²	62.2	59%	0.592	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-19.2	178.1	-174.9	171.8	152	135	-7.4	114.6	Y924 G928	Y924-R930 HydrophobicContact CD1-CB 4.1Å; Y924-R930 VanDerWaalsContact CE1-CA 3.42Å; Y924-R930 HydrophobicContact CE1-CB 3.54Å; Y924-R930 HydrophobicContact CE1-CG 4.15Å; G928-R930 PolarHBondContact O-N 3.35Å; G928-R930 VanDerWaalsContact O-N 3.1Å
931	K	72.3	Confident	86.2	Confident	144 Å²	144	60.4 Å²	60.4	63%	0.626	30%	0.304	S	S	*	.	S	Bend	trans	-74.4	143	-179	-56.6	177.8	-179.7	177.2	0	109.4	N933 S934	K931-N933 PolarHBondContact O-N 2.8Å; K931-S934 WeakPolarHBondContact CB-OG 3.46Å; K931-S934 PolarHBondContact N-OG 2.82Å; K931-S934 WeakPolarHBondContact O-CB 3.41Å; K931-S934 PolarHBondContact O-N 2.86Å; K931-S934 PolarHBondContact O-OG 3.26Å
932	K	68	Low	86.3	Confident	212 Å²	212	58.1 Å²	58.1	92%	0.922	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.7	-177.7	-73.8	-173.9	176	-177.9	0	114.3
933	N	69.5	Low	86.4	Confident	157 Å²	157	58.1 Å²	58.1	84%	0.84	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	18.3	-177.7	-57.5	-0.7	0	0	0	112.1	K931	K931-N933 PolarHBondContact O-N 2.8Å
934	S	68.8	Low	86.4	Confident	31 Å²	31	59.1 Å²	59.1	22%	0.217	30%	0.303	C	S	.	.			trans	-64.9	148.5	178.9	-66.4	0	0	0	0	111.8	G928 K931	G928-S934 PolarHBondContact O-OG 3Å; K931-S934 WeakPolarHBondContact CB-OG 3.46Å; K931-S934 PolarHBondContact N-OG 2.82Å; K931-S934 WeakPolarHBondContact O-CB 3.41Å; K931-S934 PolarHBondContact O-N 2.86Å; K931-S934 PolarHBondContact O-OG 3.26Å
935	P	74.3	Confident	86.6	Confident	66 Å²	66	57.8 Å²	57.8	43%	0.429	30%	0.3	S	S	.	.			trans	-60.4	142.8	172.5	26.2	-34.6	0	0	0	110.8	L929 I937 T1005	L929-P935 WeakPolarHBondContact CD2-O 3.32Å; P935-I937 VanDerWaalsContact C-N 3.32Å; P935-I937 HydrophobicContact CB-CG1 4.15Å; P935-I937 HydrophobicContact CG-CD1 3.96Å; P935-I937 HydrophobicContact CG-CG1 4.05Å; P935-I937 PolarHBondContact O-N 2.78Å; P935-T1005 HydrophobicContact CG-CG2 4.02Å
936	S	83.6	Confident	86.7	Confident	134 Å²	134	67.3 Å²	67.3	94%	0.937	34%	0.336	S	S	*	.			trans	-73.3	87.7	172.1	-170.4	0	0	0	0	109.6
937	I	89.2	Confident	86.9	Confident	26 Å²	26	67.6 Å²	67.6	13%	0.133	34%	0.337	C	S	.	.			trans	-95.4	120.4	176.3	-62.7	-175.8	0	0	0	109	L927 L929 P935 I939 F947 L950 I954 T1005	L927-I937 HydrophobicContact CD1-CG2 4.29Å; L929-I937 HydrophobicContact CD1-CB 4.2Å; L929-I937 HydrophobicContact CD2-CB 3.99Å; L929-I937 HydrophobicContact CD2-CD1 4.06Å; L929-I937 HydrophobicContact CD2-CG1 4.09Å; P935-I937 VanDerWaalsContact C-N 3.32Å; P935-I937 HydrophobicContact CB-CG1 4.15Å; P935-I937 HydrophobicContact CG-CD1 3.96Å; P935-I937 HydrophobicContact CG-CG1 4.05Å; P935-I937 PolarHBondContact O-N 2.78Å; I937-I939 HydrophobicContact CG2-CG2 3.97Å; I937-I939 PolarHBondContact O-N 3.22Å; I937-F947 HydrophobicContact CG2-CE2 4.3Å; I937-L950 HydrophobicContact CB-CD2 4.46Å; I937-L950 HydrophobicContact CD1-CD2 4.16Å; I937-L950 HydrophobicContact CG1-CD2 4.2Å; I937-L950 HydrophobicContact CG2-CD2 3.59Å; I937-I954 HydrophobicContact CD1-CD1 3.6Å; I937-T1005 HydrophobicContact CD1-CG2 4.31Å
938	D	92.1	Very high	87	Confident	96 Å²	96	67.5 Å²	67.5	51%	0.513	34%	0.336	S	S	.	.			trans	-72.2	110.8	169.2	-176.8	6.1	0	0	0	109.8	S940 F947	D938-S940 WeakPolarHBondContact OD1-CB 3.46Å; D938-S940 PolarHBondContact OD1-N 2.94Å; D938-S940 PolarHBondContact OD1-OG 2.91Å; D938-S940 PolarHBondContact OD2-OG 3.43Å; D938-F947 WeakPolarHBondContact O-CD2 3.28Å
939	I	94.1	Very high	87.3	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.087	35%	0.348	C	S	.	.			trans	-101.8	13.2	176.4	65	173.1	0	0	0	112.3	R919 H920 F923 L927 L929 I937 F947	R919-I939 PolarHBondContact NH1-O 3.26Å; H920-I939 HydrophobicContact CB-CD1 4.25Å; F923-I939 HydrophobicContact CB-CB 4.43Å; F923-I939 HydrophobicContact CB-CD1 4.28Å; F923-I939 HydrophobicContact CB-CG2 4.26Å; F923-I939 HydrophobicContact CD2-CB 4.3Å; L927-I939 HydrophobicContact CD1-CG2 4.07Å; L929-I939 HydrophobicContact CD1-CG2 3.76Å; I937-I939 HydrophobicContact CG2-CG2 3.97Å; I937-I939 PolarHBondContact O-N 3.22Å; I939-F947 HydrophobicContact CB-CE2 4.43Å; I939-F947 HydrophobicContact CG2-CE2 3.98Å
940	S	93	Very high	87.7	Confident	26 Å²	26	72 Å²	72	18%	0.182	36%	0.362	C	S	.	.	S	Bend	trans	-74.4	-29	-172.5	65.1	0	0	0	0	114.6	S902 D938 P942	S902-S940 PolarHBondContact OG-O 3.13Å; D938-S940 WeakPolarHBondContact OD1-CB 3.46Å; D938-S940 PolarHBondContact OD1-N 2.94Å; D938-S940 PolarHBondContact OD1-OG 2.91Å; D938-S940 PolarHBondContact OD2-OG 3.43Å; S940-P942 WeakPolarHBondContact O-CD 3.35Å
941	D	96.7	Very high	88.8	Confident	10 Å²	10	64.6 Å²	64.6	5%	0.053	33%	0.334	C	S	.	.			trans	-119.9	92.2	-177.8	-173.1	-17.9	0	0	0	111.9	K903 N905 G906 S943 S944 F947	K903-D941 HydrophobicContact CB-CB 4.13Å; N905-D941 VanDerWaalsContact CA-OD2 3.29Å; N905-D941 WeakPolarHBondContact CA-OD2 3.41Å; N905-D941 PolarHBondContact N-OD1 2.88Å; N905-D941 PolarHBondContact N-OD2 3.47Å; G906-D941 PolarHBondContact N-OD2 2.82Å; D941-S943 PolarHBondContact O-N 3.38Å; D941-S943 PolarHBondContact OD1-N 3.37Å; D941-S943 PolarHBondContact OD1-OG 2.93Å; D941-S944 PolarHBondContact O-OG 3.18Å; D941-S944 VanDerWaalsContact O-OG 3.09Å; D941-S944 PolarHBondContact OD1-N 3.44Å; D941-F947 WeakPolarHBondContact O-CB 3.46Å
942	P	96.4	Very high	90	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-6.7	-178	31.1	-37	0	0	0	114.2	Y740 Y782 M904 F923 S940	Y740-P942 HydrophobicContact CD1-CB 4.13Å; Y740-P942 HydrophobicContact CD1-CG 3.54Å; Y740-P942 HydrophobicContact CD2-CB 4.34Å; Y740-P942 HydrophobicContact CE1-CB 4.09Å; Y740-P942 HydrophobicContact CE1-CG 3.32Å; Y740-P942 HydrophobicContact CE2-CB 4.35Å; Y740-P942 HydrophobicContact CE2-CG 4.42Å; Y740-P942 HydrophobicContact CG-CB 4.25Å; Y740-P942 HydrophobicContact CG-CG 4.17Å; Y782-P942 WeakPolarHBondContact CE2-O 2.98Å; Y782-P942 PolarHBondContact OH-O 2.91Å; M904-P942 HydrophobicContact CE-CG 4.38Å; M904-P942 HydrophobicContact SD-CG 4.18Å; F923-P942 HydrophobicContact CE2-CB 3.99Å; F923-P942 HydrophobicContact CZ-CB 4.35Å; S940-P942 WeakPolarHBondContact O-CD 3.35Å
943	S	96.3	Very high	91.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-16	-178.6	66.5	0	0	0	0	113.8	R780 M904 N905 D941	R780-S943 WeakPolarHBondContact CG-O 3.49Å; M904-S943 WeakPolarHBondContact CG-OG 3.45Å; M904-S943 PolarHBondContact SD-OG 3.18Å; N905-S943 PolarHBondContact N-OG 2.99Å; D941-S943 PolarHBondContact O-N 3.38Å; D941-S943 PolarHBondContact OD1-N 3.37Å; D941-S943 PolarHBondContact OD1-OG 2.93Å
944	S	96	Very high	92.7	Very high	21 Å²	21	44.9 Å²	44.9	15%	0.147	25%	0.253	C	S	.	.	S	Bend	trans	-60.7	142.4	178.7	68.7	0	0	0	0	113.2	D941 R946 F947 F948	D941-S944 PolarHBondContact O-OG 3.18Å; D941-S944 VanDerWaalsContact O-OG 3.09Å; D941-S944 PolarHBondContact OD1-N 3.44Å; S944-R946 PolarHBondContact O-N 2.87Å; S944-F947 PolarHBondContact O-N 3.29Å; S944-F947 VanDerWaalsContact OG-CB 3.27Å; S944-F947 WeakPolarHBondContact OG-CB 3.36Å; S944-F947 PolarHBondContact OG-N 3.02Å; S944-F948 WeakPolarHBondContact O-CB 3.34Å; S944-F948 PolarHBondContact O-N 3.33Å
945	E	95.2	Very high	94.1	Very high	77 Å²	77	43.4 Å²	43.4	36%	0.36	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-36.3	175.4	-176.8	50.2	-137.8	0	0	112.2	R780 F947 F948 S949	R780-E945 IonicContact CZ-OE2 3.85Å; R780-E945 IonicContact NE-OE2 2.71Å; R780-E945 IonicContact NH2-OE2 3.19Å; R780-E945 PolarHBondContact NH2-OE2 2.64Å; E945-F947 PolarHBondContact O-N 2.88Å; E945-F948 PolarHBondContact O-N 2.89Å; E945-S949 WeakPolarHBondContact O-CB 3.37Å; E945-S949 PolarHBondContact O-N 3.43Å; E945-S949 PolarHBondContact OE1-OG 3.22Å
946	R	95.7	Very high	95.2	Very high	209 Å²	209	47.7 Å²	47.7	79%	0.789	25%	0.25	S	S	*	.	H	α-helix	trans	-58.9	-48.6	176.6	-178.9	-178.5	176.2	-171.8	-1.9	111.8	S944 L950	S944-R946 PolarHBondContact O-N 2.87Å; R946-L950 WeakPolarHBondContact O-CB 3.36Å; R946-L950 PolarHBondContact O-N 2.84Å; R946-L950 VanDerWaalsContact O-N 3.11Å
947	F	96.5	Very high	95.9	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-70.1	-41.8	179.6	-179	-99.2	0	0	0	111.4	Y782 F923 L927 I937 D938 I939 D941 S944 E945 L950 W951	Y782-F947 HydrophobicContact CE1-CE1 4.46Å; Y782-F947 WeakPolarHBondContact OH-CD1 3.32Å; F923-F947 AromaticContact CD2-CE1 3.83Å; F923-F947 HydrophobicContact CD2-CE1 3.83Å; F923-F947 HydrophobicContact CD2-CE2 4.33Å; F923-F947 AromaticContact CD2-CZ 3.4Å; F923-F947 HydrophobicContact CD2-CZ 3.4Å; F923-F947 VanDerWaalsContact CD2-CZ 3.4Å; F923-F947 HydrophobicContact CE2-CD1 4.37Å; F923-F947 AromaticContact CE2-CE1 3.3Å; F923-F947 HydrophobicContact CE2-CE1 3.3Å; F923-F947 AromaticContact CE2-CZ 3.43Å; F923-F947 HydrophobicContact CE2-CZ 3.43Å; F923-F947 VanDerWaalsContact CE2-CZ 3.43Å; F923-F947 HydrophobicContact CG-CZ 4.33Å; F923-F947 HydrophobicContact CZ-CE1 4.05Å; F923-F947 HydrophobicContact CZ-CZ 4.37Å; L927-F947 HydrophobicContact CD1-CE2 4.02Å; L927-F947 HydrophobicContact CD1-CZ 4.09Å; I937-F947 HydrophobicContact CG2-CE2 4.3Å; D938-F947 WeakPolarHBondContact O-CD2 3.28Å; I939-F947 HydrophobicContact CB-CE2 4.43Å; I939-F947 HydrophobicContact CG2-CE2 3.98Å; D941-F947 WeakPolarHBondContact O-CB 3.46Å; S944-F947 PolarHBondContact O-N 3.29Å; S944-F947 VanDerWaalsContact OG-CB 3.27Å; S944-F947 WeakPolarHBondContact OG-CB 3.36Å; S944-F947 PolarHBondContact OG-N 3.02Å; E945-F947 PolarHBondContact O-N 2.88Å; F947-L950 WeakPolarHBondContact O-CB 3.44Å; F947-L950 PolarHBondContact O-N 3.4Å; F947-W951 AromaticContact CE1-CE3 3.95Å; F947-W951 HydrophobicContact CE1-CE3 3.95Å; F947-W951 AromaticContact CZ-CE3 3.71Å; F947-W951 HydrophobicContact CZ-CE3 3.71Å; F947-W951 HydrophobicContact CZ-CZ3 4.28Å; F947-W951 WeakPolarHBondContact O-CB 3.45Å; F947-W951 PolarHBondContact O-N 3.21Å
948	F	97.1	Very high	96.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-45.1	179.2	-169.5	-121.1	0	0	0	112.4	R780 Y782 S833 Q834 I837 S944 E945 L950 W951 K952	R780-F948 HydrophobicContact CB-CD2 4.26Å; R780-F948 HydrophobicContact CB-CE2 4.35Å; R780-F948 HydrophobicContact CG-CB 4.45Å; R780-F948 HydrophobicContact CG-CD2 4.23Å; R780-F948 HydrophobicContact CG-CG 4.24Å; Y782-F948 HydrophobicContact CD1-CD2 4.46Å; Y782-F948 HydrophobicContact CD1-CE2 4.34Å; Y782-F948 AromaticContact CE1-CD2 3.6Å; Y782-F948 HydrophobicContact CE1-CD2 3.6Å; Y782-F948 AromaticContact CE1-CE2 3.92Å; Y782-F948 HydrophobicContact CE1-CE2 3.92Å; Y782-F948 AromaticContact CZ-CD2 3.68Å; S833-F948 VanDerWaalsContact O-CE1 3.28Å; S833-F948 WeakPolarHBondContact O-CE1 3.42Å; Q834-F948 WeakPolarHBondContact O-CE1 3.32Å; I837-F948 HydrophobicContact CB-CE2 4.45Å; I837-F948 HydrophobicContact CB-CZ 4.39Å; I837-F948 HydrophobicContact CG2-CE2 3.72Å; I837-F948 HydrophobicContact CG2-CZ 4.14Å; S944-F948 WeakPolarHBondContact O-CB 3.34Å; S944-F948 PolarHBondContact O-N 3.33Å; E945-F948 PolarHBondContact O-N 2.89Å; F948-L950 VanDerWaalsContact C-N 3.35Å; F948-L950 PolarHBondContact O-N 3.2Å; F948-W951 WeakPolarHBondContact O-CB 3.49Å; F948-W951 PolarHBondContact O-N 3.38Å; F948-K952 HydrophobicContact CD1-CD 4.33Å; F948-K952 HydrophobicContact CE1-CD 4.04Å; F948-K952 HydrophobicContact CZ-CD 4.43Å; F948-K952 WeakPolarHBondContact O-CG 3.36Å; F948-K952 PolarHBondContact O-N 3.27Å
949	S	96.6	Very high	96.6	Very high	55 Å²	55	39.7 Å²	39.7	39%	0.385	20%	0.195	S	C	.	.	H	α-helix	trans	-65.9	-34.3	174.8	-86.3	0	0	0	0	112.8	E945 K952 G953	E945-S949 WeakPolarHBondContact O-CB 3.37Å; E945-S949 PolarHBondContact O-N 3.43Å; E945-S949 PolarHBondContact OE1-OG 3.22Å; S949-K952 PolarHBondContact O-N 3.26Å; S949-G953 PolarHBondContact O-N 3.12Å
950	L	96.1	Very high	96.8	Very high	69 Å²	69	43.4 Å²	43.4	36%	0.361	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-44.5	171.8	179.6	63.9	0	0	0	112	I937 R946 F947 F948 G953 I954	I937-L950 HydrophobicContact CB-CD2 4.46Å; I937-L950 HydrophobicContact CD1-CD2 4.16Å; I937-L950 HydrophobicContact CG1-CD2 4.2Å; I937-L950 HydrophobicContact CG2-CD2 3.59Å; R946-L950 WeakPolarHBondContact O-CB 3.36Å; R946-L950 PolarHBondContact O-N 2.84Å; R946-L950 VanDerWaalsContact O-N 3.11Å; F947-L950 WeakPolarHBondContact O-CB 3.44Å; F947-L950 PolarHBondContact O-N 3.4Å; F948-L950 VanDerWaalsContact C-N 3.35Å; F948-L950 PolarHBondContact O-N 3.2Å; L950-G953 PolarHBondContact O-N 2.74Å; L950-I954 HydrophobicContact CD1-CD1 3.92Å; L950-I954 HydrophobicContact CD1-CG1 4.26Å; L950-I954 HydrophobicContact CG-CD1 3.93Å; L950-I954 WeakPolarHBondContact O-CG1 3.45Å; L950-I954 PolarHBondContact O-N 3.42Å
951	W	97.6	Very high	97	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-48.6	174.9	-177.4	-79.4	0	0	0	111.3	Y782 L784 C839 F923 H926 L927 F947 F948 G953 I954 A955 L1008	Y782-W951 HydrophobicContact CD1-CD2 4.07Å; Y782-W951 AromaticContact CD1-CE2 3.86Å; Y782-W951 HydrophobicContact CD1-CG 4.22Å; Y782-W951 HydrophobicContact CD1-CZ2 4.4Å; Y782-W951 AromaticContact CD1-NE1 3.82Å; Y782-W951 HydrophobicContact CE1-CB 4.36Å; Y782-W951 AromaticContact CE1-CD2 3.94Å; Y782-W951 HydrophobicContact CE1-CD2 3.94Å; Y782-W951 HydrophobicContact CE1-CE3 4.48Å; Y782-W951 AromaticContact CE1-CG 3.87Å; Y782-W951 HydrophobicContact CE1-CG 3.87Å; L784-W951 HydrophobicContact CD1-CZ2 4.05Å; L784-W951 HydrophobicContact CD2-CZ2 4.44Å; C839-W951 PolarHBondContact SG-NE1 2.84Å; C839-W951 VanDerWaalsContact SG-NE1 3.38Å; F923-W951 HydrophobicContact CD1-CH2 4.05Å; F923-W951 AromaticContact CD1-CZ3 3.71Å; F923-W951 HydrophobicContact CD1-CZ3 3.71Å; F923-W951 HydrophobicContact CD2-CZ3 4.42Å; F923-W951 HydrophobicContact CE1-CH2 4.02Å; F923-W951 AromaticContact CE1-CZ3 3.81Å; F923-W951 HydrophobicContact CE1-CZ3 3.81Å; F923-W951 HydrophobicContact CG-CZ3 4.03Å; F923-W951 HydrophobicContact CZ-CZ3 4.21Å; H926-W951 HydrophobicContact CB-CH2 4.41Å; L927-W951 HydrophobicContact CD1-CE3 4.34Å; L927-W951 HydrophobicContact CD1-CZ3 4.34Å; L927-W951 HydrophobicContact CD2-CE3 4.02Å; L927-W951 HydrophobicContact CD2-CZ3 4.16Å; L927-W951 HydrophobicContact CG-CE3 4.44Å; L927-W951 HydrophobicContact CG-CZ3 4.23Å; F947-W951 AromaticContact CE1-CE3 3.95Å; F947-W951 HydrophobicContact CE1-CE3 3.95Å; F947-W951 AromaticContact CZ-CE3 3.71Å; F947-W951 HydrophobicContact CZ-CE3 3.71Å; F947-W951 HydrophobicContact CZ-CZ3 4.28Å; F947-W951 WeakPolarHBondContact O-CB 3.45Å; F947-W951 PolarHBondContact O-N 3.21Å; F948-W951 WeakPolarHBondContact O-CB 3.49Å; F948-W951 PolarHBondContact O-N 3.38Å; W951-G953 PolarHBondContact O-N 2.58Å; W951-I954 PolarHBondContact O-N 2.89Å; W951-A955 WeakPolarHBondContact O-CB 3.23Å; W951-A955 PolarHBondContact O-N 3.12Å; W951-L1008 HydrophobicContact CD2-CD2 3.63Å; W951-L1008 HydrophobicContact CE3-CD2 4.12Å; W951-L1008 HydrophobicContact CG-CD2 4.02Å; W951-L1008 HydrophobicContact CH2-CD1 4.08Å; W951-L1008 HydrophobicContact CH2-CD2 4.17Å; W951-L1008 HydrophobicContact CZ2-CD1 3.38Å; W951-L1008 HydrophobicContact CZ2-CD2 3.67Å; W951-L1008 HydrophobicContact CZ2-CG 4.18Å; W951-L1008 HydrophobicContact CZ3-CD2 4.38Å
952	K	97.2	Very high	97	Very high	44 Å²	44	42.4 Å²	42.4	19%	0.191	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-45.1	174.7	-69.6	-165.8	-76.5	-173.1	0	112	S833 I837 F948 S949 R956	S833-K952 PolarHBondContact O-NZ 3.16Å; I837-K952 HydrophobicContact CD1-CB 4.44Å; I837-K952 HydrophobicContact CD1-CG 3.74Å; F948-K952 HydrophobicContact CD1-CD 4.33Å; F948-K952 HydrophobicContact CE1-CD 4.04Å; F948-K952 HydrophobicContact CZ-CD 4.43Å; F948-K952 WeakPolarHBondContact O-CG 3.36Å; F948-K952 PolarHBondContact O-N 3.27Å; S949-K952 PolarHBondContact O-N 3.26Å; K952-R956 WeakPolarHBondContact O-CB 3.15Å; K952-R956 PolarHBondContact O-N 2.66Å
953	G	97.2	Very high	97	Very high	41 Å²	41	43.9 Å²	43.9	42%	0.423	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-46.4	-179.9	0	0	0	0	0	113.5	S949 L950 W951 R956 K957	S949-G953 PolarHBondContact O-N 3.12Å; L950-G953 PolarHBondContact O-N 2.74Å; W951-G953 PolarHBondContact O-N 2.58Å; G953-R956 PolarHBondContact O-N 3.04Å; G953-K957 WeakPolarHBondContact O-CB 3.35Å; G953-K957 PolarHBondContact O-N 3.05Å
954	I	97	Very high	97	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-48.1	177.6	-70	168.7	0	0	0	110.7	L927 I937 L950 W951 R956 K957 N958 T1005	L927-I954 HydrophobicContact CD2-CD1 4.03Å; L927-I954 HydrophobicContact CD2-CG2 4.28Å; I937-I954 HydrophobicContact CD1-CD1 3.6Å; L950-I954 HydrophobicContact CD1-CD1 3.92Å; L950-I954 HydrophobicContact CD1-CG1 4.26Å; L950-I954 HydrophobicContact CG-CD1 3.93Å; L950-I954 WeakPolarHBondContact O-CG1 3.45Å; L950-I954 PolarHBondContact O-N 3.42Å; W951-I954 PolarHBondContact O-N 2.89Å; I954-R956 VanDerWaalsContact C-N 3.29Å; I954-R956 PolarHBondContact O-N 3.41Å; I954-K957 PolarHBondContact O-N 3.47Å; I954-N958 WeakPolarHBondContact O-CB 3.42Å; I954-N958 VanDerWaalsContact O-CG 3.28Å; I954-N958 PolarHBondContact O-N 2.84Å; I954-T1005 HydrophobicContact CD1-CG2 3.99Å; I954-T1005 HydrophobicContact CG1-CG2 4.41Å; I954-T1005 HydrophobicContact CG2-CG2 4.28Å; I954-T1005 VanDerWaalsContact CG2-O 3.29Å; I954-T1005 WeakPolarHBondContact CG2-O 3.48Å
955	A	98.1	Very high	97	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-43.1	178.8	0	0	0	0	0	111.8	W951 T959 L1008 L1010	W951-A955 WeakPolarHBondContact O-CB 3.23Å; W951-A955 PolarHBondContact O-N 3.12Å; A955-T959 WeakPolarHBondContact O-CB 3.43Å; A955-T959 PolarHBondContact O-N 2.87Å; A955-T959 VanDerWaalsContact O-N 3.13Å; A955-T959 PolarHBondContact O-OG1 2.87Å; A955-L1008 HydrophobicContact CB-CD2 3.93Å; A955-L1008 HydrophobicContact CB-CG 3.93Å; A955-L1010 HydrophobicContact CB-CD2 3.73Å; A955-L1010 HydrophobicContact CB-CG 4.08Å
956	R	98.1	Very high	96.9	Very high	157 Å²	157	46 Å²	46	59%	0.592	22%	0.219	S	C	*	.	H	α-helix	trans	-65.1	-55.2	176.7	-172.4	168.3	-63.8	-158.6	-0.9	111.9	K952 G953 I954 N958 T959 D960 L1010	K952-R956 WeakPolarHBondContact O-CB 3.15Å; K952-R956 PolarHBondContact O-N 2.66Å; G953-R956 PolarHBondContact O-N 3.04Å; I954-R956 VanDerWaalsContact C-N 3.29Å; I954-R956 PolarHBondContact O-N 3.41Å; R956-N958 VanDerWaalsContact C-N 3.29Å; R956-N958 PolarHBondContact O-N 2.95Å; R956-T959 WeakPolarHBondContact O-CA 3.46Å; R956-T959 WeakPolarHBondContact O-CB 3.18Å; R956-T959 PolarHBondContact O-N 2.95Å; R956-D960 VanDerWaalsContact O-CG 3.26Å; R956-D960 PolarHBondContact O-N 3.2Å; R956-L1010 HydrophobicContact CB-CD1 3.98Å; R956-L1010 HydrophobicContact CG-CD1 4.19Å
957	K	97.7	Very high	96.9	Very high	68 Å²	68	36.7 Å²	36.7	30%	0.296	19%	0.186	S	C	.	.	H	α-helix	trans	-50.6	-48.4	178.8	-175.6	-165.2	-178.1	-170.8	0	112	G953 I954 T959 D960 I961 D1003	G953-K957 WeakPolarHBondContact O-CB 3.35Å; G953-K957 PolarHBondContact O-N 3.05Å; I954-K957 PolarHBondContact O-N 3.47Å; K957-T959 VanDerWaalsContact C-N 3.33Å; K957-T959 PolarHBondContact O-N 2.78Å; K957-D960 PolarHBondContact O-N 3.14Å; K957-I961 HydrophobicContact CD-CD1 4.48Å; K957-I961 HydrophobicContact CG-CD1 3.94Å; K957-I961 WeakPolarHBondContact O-CG1 3.39Å; K957-I961 PolarHBondContact O-N 3.21Å; K957-D1003 VanDerWaalsContact CE-CG 3.5Å; K957-D1003 WeakPolarHBondContact CE-O 3.49Å; K957-D1003 WeakPolarHBondContact CE-OD2 3.48Å; K957-D1003 PolarHBondContact NZ-O 2.86Å; K957-D1003 IonicContact NZ-OD1 2.72Å; K957-D1003 PolarHBondContact NZ-OD1 2.97Å; K957-D1003 IonicContact NZ-OD2 3.18Å; K957-D1003 PolarHBondContact NZ-OD2 3.21Å
958	N	97.9	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-37.9	179.5	-70	-10	0	0	0	112	I954 R956 Y962 L1004 T1005 L1008 V1009	I954-N958 WeakPolarHBondContact O-CB 3.42Å; I954-N958 VanDerWaalsContact O-CG 3.28Å; I954-N958 PolarHBondContact O-N 2.84Å; R956-N958 VanDerWaalsContact C-N 3.29Å; R956-N958 PolarHBondContact O-N 2.95Å; N958-Y962 WeakPolarHBondContact O-CB 3.37Å; N958-Y962 WeakPolarHBondContact O-CD2 3.28Å; N958-Y962 PolarHBondContact O-N 3.07Å; N958-L1004 HydrophobicContact CB-CD2 3.81Å; N958-L1004 VanDerWaalsContact OD1-CD2 3.32Å; N958-L1004 WeakPolarHBondContact OD1-CD2 3.42Å; N958-T1005 PolarHBondContact ND2-O 3.15Å; N958-T1005 PolarHBondContact OD1-N 2.86Å; N958-T1005 VanDerWaalsContact OD1-N 3.14Å; N958-L1008 WeakPolarHBondContact CB-O 3.24Å; N958-L1008 PolarHBondContact ND2-O 3.31Å; N958-V1009 HydrophobicContact CB-CG1 4.1Å
959	T	98.2	Very high	96.4	Very high	20 Å²	20	38.6 Å²	38.6	12%	0.123	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-52.5	175.4	-52.4	0	0	0	0	110.5	A955 R956 K957 I961 Y962 E963 L1010	A955-T959 WeakPolarHBondContact O-CB 3.43Å; A955-T959 PolarHBondContact O-N 2.87Å; A955-T959 VanDerWaalsContact O-N 3.13Å; A955-T959 PolarHBondContact O-OG1 2.87Å; R956-T959 WeakPolarHBondContact O-CA 3.46Å; R956-T959 WeakPolarHBondContact O-CB 3.18Å; R956-T959 PolarHBondContact O-N 2.95Å; K957-T959 VanDerWaalsContact C-N 3.33Å; K957-T959 PolarHBondContact O-N 2.78Å; T959-I961 VanDerWaalsContact C-N 3.28Å; T959-I961 PolarHBondContact O-N 3.4Å; T959-Y962 PolarHBondContact O-N 3.44Å; T959-Y962 VanDerWaalsContact O-N 3.14Å; T959-E963 HydrophobicContact CG2-CG 4.37Å; T959-E963 WeakPolarHBondContact O-CB 3.42Å; T959-E963 WeakPolarHBondContact O-CG 3.37Å; T959-E963 PolarHBondContact O-N 2.92Å; T959-L1010 PolarHBondContact OG1-N 3.17Å
960	D	97.5	Very high	96.3	Very high	94 Å²	94	36.2 Å²	36.2	50%	0.503	18%	0.18	S	C	.	.	H	α-helix	trans	-57.4	-41.4	-179.5	-56.3	-21.9	0	0	0	111.5	R956 K957 K964	R956-D960 VanDerWaalsContact O-CG 3.26Å; R956-D960 PolarHBondContact O-N 3.2Å; K957-D960 PolarHBondContact O-N 3.14Å; D960-K964 WeakPolarHBondContact O-CB 3.29Å; D960-K964 PolarHBondContact O-N 2.92Å
961	I	97.6	Very high	96.3	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.062	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-50.1	175.5	-71.5	165.6	0	0	0	111.4	K957 T959 E963 K964 V965 L1000 L1001 L1004	K957-I961 HydrophobicContact CD-CD1 4.48Å; K957-I961 HydrophobicContact CG-CD1 3.94Å; K957-I961 WeakPolarHBondContact O-CG1 3.39Å; K957-I961 PolarHBondContact O-N 3.21Å; T959-I961 VanDerWaalsContact C-N 3.28Å; T959-I961 PolarHBondContact O-N 3.4Å; I961-E963 PolarHBondContact O-N 3.13Å; I961-K964 PolarHBondContact O-N 2.96Å; I961-V965 HydrophobicContact CG2-CG2 4.21Å; I961-V965 WeakPolarHBondContact O-CB 3.42Å; I961-V965 VanDerWaalsContact O-CG2 3.28Å; I961-V965 WeakPolarHBondContact O-CG2 3.44Å; I961-V965 PolarHBondContact O-N 2.95Å; I961-L1000 HydrophobicContact CG2-CB 4.15Å; I961-L1000 WeakPolarHBondContact CG2-O 3.44Å; I961-L1001 HydrophobicContact CG2-CD2 4.18Å; I961-L1004 HydrophobicContact CB-CD2 3.86Å; I961-L1004 HydrophobicContact CD1-CD2 3.94Å; I961-L1004 HydrophobicContact CD1-CG 4.4Å; I961-L1004 HydrophobicContact CG2-CD1 4.24Å; I961-L1004 HydrophobicContact CG2-CD2 3.68Å; I961-L1004 HydrophobicContact CG2-CG 3.9Å
962	Y	97.5	Very high	96.3	Very high	3 Å²	3	35.8 Å²	35.8	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-40.3	-178.3	-80.7	-53.6	0	0	0	112.6	R842 T843 H844 N958 T959 F966 L1001 L1004 V1009	R842-Y962 HydrophobicContact CB-CD2 4.14Å; R842-Y962 HydrophobicContact CB-CE2 3.9Å; R842-Y962 VanDerWaalsContact CD-CG 3.42Å; R842-Y962 HydrophobicContact CG-CD1 4.18Å; R842-Y962 HydrophobicContact CG-CD2 3.87Å; R842-Y962 HydrophobicContact CG-CE1 4.12Å; R842-Y962 HydrophobicContact CG-CE2 3.78Å; R842-Y962 HydrophobicContact CG-CG 4.07Å; R842-Y962 PolarHBondContact O-OH 3.07Å; T843-Y962 WeakPolarHBondContact CA-OH 3.46Å; H844-Y962 HydrophobicContact CB-CE1 4.02Å; H844-Y962 AromaticContact ND1-CE1 3.61Å; H844-Y962 AromaticContact ND1-CZ 3.81Å; H844-Y962 PolarHBondContact ND1-OH 3.39Å; H844-Y962 VanDerWaalsContact ND1-OH 3.15Å; N958-Y962 WeakPolarHBondContact O-CB 3.37Å; N958-Y962 WeakPolarHBondContact O-CD2 3.28Å; N958-Y962 PolarHBondContact O-N 3.07Å; T959-Y962 PolarHBondContact O-N 3.44Å; T959-Y962 VanDerWaalsContact O-N 3.14Å; Y962-F966 AromaticContact CD1-CD2 3.93Å; Y962-F966 HydrophobicContact CD1-CD2 3.93Å; Y962-F966 AromaticContact CD1-CE2 3.93Å; Y962-F966 HydrophobicContact CD1-CE2 3.93Å; Y962-F966 HydrophobicContact CE1-CE2 4.24Å; Y962-F966 PolarHBondContact O-N 3.49Å; Y962-L1001 HydrophobicContact CD1-CD2 4.43Å; Y962-L1001 HydrophobicContact CE1-CD2 4.3Å; Y962-L1004 HydrophobicContact CD1-CD1 4.41Å; Y962-L1004 HydrophobicContact CD2-CD2 4.44Å; Y962-L1004 HydrophobicContact CE1-CD1 3.72Å; Y962-L1004 HydrophobicContact CE2-CD1 4.22Å; Y962-L1004 HydrophobicContact CE2-CD2 4.21Å; Y962-V1009 HydrophobicContact CD2-CG1 3.64Å; Y962-V1009 HydrophobicContact CE2-CG1 3.92Å
963	E	96	Very high	96.2	Very high	32 Å²	32	38.4 Å²	38.4	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-47.2	175.3	-73.6	-162	-176.3	0	0	111.6	T959 I961 C967 T971 Y983	T959-E963 HydrophobicContact CG2-CG 4.37Å; T959-E963 WeakPolarHBondContact O-CB 3.42Å; T959-E963 WeakPolarHBondContact O-CG 3.37Å; T959-E963 PolarHBondContact O-N 2.92Å; I961-E963 PolarHBondContact O-N 3.13Å; E963-C967 VanDerWaalsContact O-CA 3.24Å; E963-C967 WeakPolarHBondContact O-CA 2.98Å; E963-C967 PolarHBondContact O-N 2.91Å; E963-T971 WeakPolarHBondContact OE1-CA 3.26Å; E963-T971 WeakPolarHBondContact OE1-CB 3.43Å; E963-T971 PolarHBondContact OE1-OG1 3.05Å; E963-T971 PolarHBondContact OE2-OG1 3.46Å; E963-Y983 VanDerWaalsContact CB-OH 3.3Å; E963-Y983 WeakPolarHBondContact CB-OH 3.28Å; E963-Y983 WeakPolarHBondContact CG-OH 3.49Å; E963-Y983 PolarHBondContact OE2-OH 2.85Å
964	K	95.3	Very high	96.1	Very high	133 Å²	133	36.5 Å²	36.5	58%	0.578	17%	0.172	S	C	*	.	H	α-helix	trans	-63.3	-41.1	177.1	-178.4	175.1	176.5	-174.9	0	113.3	D960 I961 L1000	D960-K964 WeakPolarHBondContact O-CB 3.29Å; D960-K964 PolarHBondContact O-N 2.92Å; I961-K964 PolarHBondContact O-N 2.96Å; K964-L1000 HydrophobicContact CD-CD1 3.84Å; K964-L1000 HydrophobicContact CG-CD1 4.3Å
965	V	96.2	Very high	96	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-78	-42.6	-175	174.4	0	0	0	0	112.2	I961 L989 S990 A997 L1000 L1001	I961-V965 HydrophobicContact CG2-CG2 4.21Å; I961-V965 WeakPolarHBondContact O-CB 3.42Å; I961-V965 VanDerWaalsContact O-CG2 3.28Å; I961-V965 WeakPolarHBondContact O-CG2 3.44Å; I961-V965 PolarHBondContact O-N 2.95Å; V965-L989 HydrophobicContact CG2-CD2 4.42Å; V965-L989 PolarHBondContact O-N 3.11Å; V965-S990 PolarHBondContact O-N 2.87Å; V965-S990 VanDerWaalsContact O-N 3.15Å; V965-A997 HydrophobicContact CG1-CB 3.96Å; V965-L1000 HydrophobicContact CG2-CB 3.91Å; V965-L1000 HydrophobicContact CG2-CD1 3.95Å; V965-L1001 HydrophobicContact CB-CD2 4.38Å; V965-L1001 HydrophobicContact CG1-CD1 4.12Å; V965-L1001 HydrophobicContact CG1-CD2 4.18Å; V965-L1001 HydrophobicContact CG1-CG 4.18Å; V965-L1001 HydrophobicContact CG2-CD2 4.28Å; V965-L1001 HydrophobicContact CG2-CG 4.38Å
966	F	94.9	Very high	95.8	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.039	20%	0.197	C	C	.	.	H	α-helix	trans	-117.1	-9.8	-168.1	-64.2	-70.6	0	0	0	115.7	H844 M851 T853 Y962 C968 K988 L1001	H844-F966 HydrophobicContact CB-CE2 4.01Å; H844-F966 HydrophobicContact CB-CZ 3.99Å; M851-F966 HydrophobicContact CB-CE1 3.86Å; M851-F966 HydrophobicContact CB-CZ 4.25Å; T853-F966 HydrophobicContact CG2-CB 3.59Å; T853-F966 HydrophobicContact CG2-CD1 3.92Å; T853-F966 HydrophobicContact CG2-CD2 3.49Å; T853-F966 VanDerWaalsContact CG2-CD2 3.49Å; T853-F966 HydrophobicContact CG2-CE1 4.43Å; T853-F966 HydrophobicContact CG2-CE2 4.05Å; T853-F966 HydrophobicContact CG2-CG 3.39Å; T853-F966 HydrophobicContact CG2-CZ 4.48Å; Y962-F966 AromaticContact CD1-CD2 3.93Å; Y962-F966 HydrophobicContact CD1-CD2 3.93Å; Y962-F966 AromaticContact CD1-CE2 3.93Å; Y962-F966 HydrophobicContact CD1-CE2 3.93Å; Y962-F966 HydrophobicContact CE1-CE2 4.24Å; Y962-F966 PolarHBondContact O-N 3.49Å; F966-C968 HydrophobicContact CB-CB 4.36Å; F966-C968 PolarHBondContact O-N 3.4Å; F966-K988 WeakPolarHBondContact O-CD 3.4Å; F966-K988 WeakPolarHBondContact O-CE 3.43Å; F966-K988 WeakPolarHBondContact O-CG 3.42Å; F966-L1001 HydrophobicContact CE2-CD1 4.16Å; F966-L1001 HydrophobicContact CE2-CD2 3.73Å; F966-L1001 HydrophobicContact CZ-CD1 3.87Å; F966-L1001 HydrophobicContact CZ-CD2 4.3Å
967	C	94.1	Very high	95.5	Very high	14 Å²	14	37.4 Å²	37.4	10%	0.095	18%	0.183	C	C	.	.			trans	45.8	49	-167.4	-52	0	0	0	0	111	E963 Y983 K988	E963-C967 VanDerWaalsContact O-CA 3.24Å; E963-C967 WeakPolarHBondContact O-CA 2.98Å; E963-C967 PolarHBondContact O-N 2.91Å; C967-Y983 HydrophobicContact CB-CD1 4.24Å; C967-Y983 HydrophobicContact CB-CE1 3.82Å; C967-Y983 WeakPolarHBondContact O-CE1 3.49Å; C967-K988 HydrophobicContact CB-CG 4.29Å
968	C	92.6	Very high	95.3	Very high	16 Å²	16	39.3 Å²	39.3	11%	0.108	19%	0.193	C	C	.	.			trans	-75.1	150	-177.7	59.6	0	0	0	0	111.8	T853 F966 Y983	T853-C968 HydrophobicContact CG2-CB 4.17Å; F966-C968 HydrophobicContact CB-CB 4.36Å; F966-C968 PolarHBondContact O-N 3.4Å; C968-Y983 WeakPolarHBondContact O-CE1 3.47Å
969	I	91.6	Very high	95.1	Very high	29 Å²	29	42.7 Å²	42.7	15%	0.149	21%	0.209	C	C	.	.	S	Bend	trans	-108.5	158.9	170.7	60.4	147	0	0	0	110.2	R842 T971 V980 Y983 K984 F1015	R842-I969 PolarHBondContact NH2-O 3.13Å; I969-T971 HydrophobicContact CG2-CG2 4.47Å; I969-V980 HydrophobicContact CG2-CG1 4.36Å; I969-Y983 HydrophobicContact CG2-CD1 4.29Å; I969-K984 HydrophobicContact CG2-CG 4.15Å; I969-F1015 HydrophobicContact CB-CE2 4.49Å
970	P	94.4	Very high	94.8	Very high	5 Å²	5	42 Å²	42	3%	0.032	20%	0.204	C	C	.	.	S	Bend	cis	-67.9	162.1	-9.8	31.8	-37.6	0	0	0	112.9	L787 L788 P1012 F1015	L787-P970 HydrophobicContact CB-CG 4.08Å; L787-P970 HydrophobicContact CD2-CG 4.24Å; L787-P970 WeakPolarHBondContact O-CG 3.46Å; L788-P970 HydrophobicContact CD2-CB 4.42Å; L788-P970 HydrophobicContact CD2-CG 4.15Å; L788-P970 HydrophobicContact CG-CG 4.42Å; P970-P1012 HydrophobicContact CB-CG 3.57Å; P970-P1012 HydrophobicContact CG-CG 3.52Å; P970-F1015 HydrophobicContact CB-CB 4.09Å; P970-F1015 HydrophobicContact CB-CD1 3.46Å; P970-F1015 VanDerWaalsContact CB-CD1 3.46Å; P970-F1015 HydrophobicContact CB-CD2 3.74Å; P970-F1015 HydrophobicContact CB-CE1 3.66Å; P970-F1015 HydrophobicContact CB-CE2 3.9Å; P970-F1015 HydrophobicContact CB-CG 3.49Å; P970-F1015 VanDerWaalsContact CB-CG 3.49Å; P970-F1015 HydrophobicContact CB-CZ 3.87Å
971	T	95.9	Very high	94.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.			trans	-153.4	146.3	-178	167.5	0	0	0	0	109.8	E963 I969 E973 A974 Y983 F1015	E963-T971 WeakPolarHBondContact OE1-CA 3.26Å; E963-T971 WeakPolarHBondContact OE1-CB 3.43Å; E963-T971 PolarHBondContact OE1-OG1 3.05Å; E963-T971 PolarHBondContact OE2-OG1 3.46Å; I969-T971 HydrophobicContact CG2-CG2 4.47Å; T971-E973 VanDerWaalsContact C-N 3.26Å; T971-E973 HydrophobicContact CG2-CB 4.46Å; T971-E973 PolarHBondContact O-N 3.14Å; T971-E973 PolarHBondContact OG1-N 3.22Å; T971-A974 HydrophobicContact CG2-CB 3.8Å; T971-A974 PolarHBondContact O-N 3.45Å; T971-Y983 HydrophobicContact CG2-CD1 3.93Å; T971-Y983 HydrophobicContact CG2-CD2 4.31Å; T971-Y983 HydrophobicContact CG2-CE1 3.68Å; T971-Y983 HydrophobicContact CG2-CE2 4.09Å; T971-Y983 HydrophobicContact CG2-CG 4.24Å; T971-F1015 WeakPolarHBondContact O-CA 3.47Å; T971-F1015 WeakPolarHBondContact O-CB 3.33Å; T971-F1015 VanDerWaalsContact O-CD2 3.31Å; T971-F1015 WeakPolarHBondContact O-CD2 3.39Å
972	D	96.6	Very high	94.3	Very high	62 Å²	62	49.5 Å²	49.5	33%	0.332	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.5	176.7	-79.6	-14.1	0	0	0	114	A974 P1012 L1013 S1014 F1015	D972-A974 VanDerWaalsContact C-N 3.31Å; D972-P1012 WeakPolarHBondContact OD1-CA 3.24Å; D972-P1012 WeakPolarHBondContact OD1-CB 3.4Å; D972-L1013 PolarHBondContact OD1-N 3.24Å; D972-L1013 PolarHBondContact OD2-N 2.91Å; D972-S1014 VanDerWaalsContact OD1-CA 3.31Å; D972-S1014 WeakPolarHBondContact OD1-CA 3.36Å; D972-S1014 WeakPolarHBondContact OD1-CB 3.41Å; D972-S1014 PolarHBondContact OD1-N 3.4Å; D972-F1015 PolarHBondContact OD1-N 2.94Å
973	E	95.5	Very high	94	Very high	98 Å²	98	49.5 Å²	49.5	46%	0.458	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.3	169.7	-77.9	-161.4	-138.9	0	0	112.7	T971 Y983 R986	T971-E973 VanDerWaalsContact C-N 3.26Å; T971-E973 HydrophobicContact CG2-CB 4.46Å; T971-E973 PolarHBondContact O-N 3.14Å; T971-E973 PolarHBondContact OG1-N 3.22Å; E973-Y983 HydrophobicContact CB-CD2 4.13Å; E973-Y983 HydrophobicContact CB-CE2 4.01Å; E973-Y983 HydrophobicContact CG-CE2 4.26Å; E973-R986 IonicContact OE1-NH1 2.74Å; E973-R986 PolarHBondContact OE1-NH1 3.29Å; E973-R986 IonicContact OE2-CZ 2.62Å; E973-R986 IonicContact OE2-NH1 3.87Å; E973-R986 PolarHBondContact OE2-NH1 2.94Å; E973-R986 IonicContact OE2-NH2 2.66Å; E973-R986 PolarHBondContact OE2-NH2 2.88Å
974	A	94.7	Very high	93.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	24%	0.243	C	C	.	.			trans	-103.6	87.3	-168.8	0	0	0	0	0	112.1	T971 D972 Q979 V980 F1015 L1016	T971-A974 HydrophobicContact CG2-CB 3.8Å; T971-A974 PolarHBondContact O-N 3.45Å; D972-A974 VanDerWaalsContact C-N 3.31Å; A974-Q979 HydrophobicContact CB-CB 4.3Å; A974-V980 HydrophobicContact CB-CB 4.45Å; A974-V980 HydrophobicContact CB-CG2 3.6Å; A974-F1015 HydrophobicContact CB-CD2 4.45Å; A974-L1016 PolarHBondContact O-N 2.99Å
975	K	95.6	Very high	93.3	Very high	85 Å²	85	48.5 Å²	48.5	37%	0.37	25%	0.247	S	C	.	.			trans	-86.2	-11.8	-175.7	-56	-176	179.9	-175.8	0	114.1	L1016 N1018	K975-L1016 CarbonylContact O-C 3.28Å; K975-L1016 VanDerWaalsContact O-C 3.28Å; K975-L1016 VanDerWaalsContact O-CA 3.29Å; K975-L1016 WeakPolarHBondContact O-CA 3.24Å; K975-N1018 HydrophobicContact CB-CB 4.32Å; K975-N1018 WeakPolarHBondContact O-CA 3.16Å; K975-N1018 WeakPolarHBondContact O-CB 3.35Å; K975-N1018 PolarHBondContact O-N 2.78Å
976	T	94.7	Very high	93.1	Very high	39 Å²	39	54.3 Å²	54.3	24%	0.239	27%	0.27	C	S	.	.	S	Bend	trans	-133	159.7	174.7	70.3	0	0	0	0	112.1	E978 Q979 V980 L1016 N1018	T976-E978 PolarHBondContact O-N 3.49Å; T976-Q979 VanDerWaalsContact N-OE1 3.12Å; T976-Q979 WeakPolarHBondContact O-CB 3.31Å; T976-Q979 PolarHBondContact O-N 3.15Å; T976-Q979 VanDerWaalsContact O-N 3.09Å; T976-Q979 WeakPolarHBondContact OG1-CG 3.41Å; T976-Q979 PolarHBondContact OG1-N 2.82Å; T976-V980 PolarHBondContact O-N 2.74Å; T976-L1016 WeakPolarHBondContact O-CD2 3.49Å; T976-N1018 HydrophobicContact CG2-CB 3.93Å
977	F	91.3	Very high	92.9	Very high	65 Å²	65	60.2 Å²	60.2	29%	0.285	30%	0.301	S	S	.	.	H	α-helix	trans	-59.4	-34.9	176.2	-65.6	-66.8	0	0	0	112.8	V795 V980 K981 L1016 S1019 L1021	V795-F977 HydrophobicContact CG1-CD1 4.29Å; V795-F977 HydrophobicContact CG1-CE1 3.82Å; F977-V980 PolarHBondContact O-N 2.68Å; F977-K981 PolarHBondContact O-N 2.94Å; F977-L1016 HydrophobicContact CD1-CD1 3.93Å; F977-L1016 HydrophobicContact CD1-CD2 4Å; F977-L1016 HydrophobicContact CE1-CD1 3.67Å; F977-L1016 HydrophobicContact CE1-CD2 4.44Å; F977-L1016 HydrophobicContact CG-CD2 4.31Å; F977-L1016 HydrophobicContact CZ-CD1 4.46Å; F977-S1019 WeakPolarHBondContact CD2-OG 3.48Å; F977-S1019 PolarHBondContact N-OG 2.72Å; F977-L1021 HydrophobicContact CE1-CD2 4.1Å; F977-L1021 HydrophobicContact CE2-CD2 4.43Å; F977-L1021 HydrophobicContact CZ-CD2 3.6Å
978	E	92.3	Very high	92.8	Very high	108 Å²	108	61.4 Å²	61.4	51%	0.505	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-46.1	173.7	-172.1	60	-147.6	0	0	110.8	T976 V980 K981 Q982	T976-E978 PolarHBondContact O-N 3.49Å; E978-V980 VanDerWaalsContact C-N 3.35Å; E978-V980 PolarHBondContact O-N 2.83Å; E978-K981 WeakPolarHBondContact O-CB 3.35Å; E978-K981 PolarHBondContact O-N 3.36Å; E978-Q982 WeakPolarHBondContact O-CG 3.48Å; E978-Q982 PolarHBondContact O-N 3.13Å; E978-Q982 PolarHBondContact OE1-NE2 3.4Å
979	Q	95.1	Very high	92.9	Very high	72 Å²	72	61.3 Å²	61.3	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-35.5	174.8	-71.6	170.5	-18.8	0	0	112.5	A974 T976 K981 Q982 Y983	A974-Q979 HydrophobicContact CB-CB 4.3Å; T976-Q979 VanDerWaalsContact N-OE1 3.12Å; T976-Q979 WeakPolarHBondContact O-CB 3.31Å; T976-Q979 PolarHBondContact O-N 3.15Å; T976-Q979 VanDerWaalsContact O-N 3.09Å; T976-Q979 WeakPolarHBondContact OG1-CG 3.41Å; T976-Q979 PolarHBondContact OG1-N 2.82Å; Q979-K981 VanDerWaalsContact C-N 3.32Å; Q979-K981 PolarHBondContact O-N 2.88Å; Q979-Q982 PolarHBondContact O-N 3.43Å; Q979-Y983 WeakPolarHBondContact O-CB 3.15Å; Q979-Y983 PolarHBondContact O-N 2.83Å
980	V	91.7	Very high	92.8	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-40.9	173.1	170.4	0	0	0	0	111.4	I969 A974 T976 F977 E978 K984 F1015 L1016	I969-V980 HydrophobicContact CG2-CG1 4.36Å; A974-V980 HydrophobicContact CB-CB 4.45Å; A974-V980 HydrophobicContact CB-CG2 3.6Å; T976-V980 PolarHBondContact O-N 2.74Å; F977-V980 PolarHBondContact O-N 2.68Å; E978-V980 VanDerWaalsContact C-N 3.35Å; E978-V980 PolarHBondContact O-N 2.83Å; V980-K984 HydrophobicContact CG1-CD 4.16Å; V980-K984 WeakPolarHBondContact O-CB 3.44Å; V980-K984 VanDerWaalsContact O-CG 3.32Å; V980-K984 WeakPolarHBondContact O-CG 3.28Å; V980-K984 PolarHBondContact O-N 2.98Å; V980-F1015 HydrophobicContact CG2-CD2 4.39Å; V980-F1015 HydrophobicContact CG2-CE2 3.57Å; V980-F1015 HydrophobicContact CG2-CZ 4.2Å; V980-L1016 HydrophobicContact CG2-CD2 3.59Å; V980-L1016 HydrophobicContact CG2-CG 4.17Å
981	K	90.6	Very high	92.6	Very high	151 Å²	151	63.5 Å²	63.5	66%	0.657	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-44.2	176.3	-174.6	-174.9	175.7	-168.8	0	111.4	F977 E978 Q979 G985	F977-K981 PolarHBondContact O-N 2.94Å; E978-K981 WeakPolarHBondContact O-CB 3.35Å; E978-K981 PolarHBondContact O-N 3.36Å; Q979-K981 VanDerWaalsContact C-N 3.32Å; Q979-K981 PolarHBondContact O-N 2.88Å; K981-G985 PolarHBondContact O-N 2.77Å; K981-G985 VanDerWaalsContact O-N 3.16Å
982	Q	92.9	Very high	92.4	Very high	112 Å²	112	70 Å²	70	52%	0.523	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-46.3	176.4	-68.2	171	7.3	0	0	112	E978 Q979 G985 R986	E978-Q982 WeakPolarHBondContact O-CG 3.48Å; E978-Q982 PolarHBondContact O-N 3.13Å; E978-Q982 PolarHBondContact OE1-NE2 3.4Å; Q979-Q982 PolarHBondContact O-N 3.43Å; Q982-G985 WeakPolarHBondContact O-CA 3.39Å; Q982-G985 PolarHBondContact O-N 2.9Å; Q982-G985 VanDerWaalsContact O-N 3.08Å; Q982-R986 PolarHBondContact O-N 3.49Å
983	Y	92.6	Very high	92.2	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-46	179.2	-174.6	-88.5	0	0	0	111.9	E963 C967 C968 I969 T971 E973 Q979 G985 R986	E963-Y983 VanDerWaalsContact CB-OH 3.3Å; E963-Y983 WeakPolarHBondContact CB-OH 3.28Å; E963-Y983 WeakPolarHBondContact CG-OH 3.49Å; E963-Y983 PolarHBondContact OE2-OH 2.85Å; C967-Y983 HydrophobicContact CB-CD1 4.24Å; C967-Y983 HydrophobicContact CB-CE1 3.82Å; C967-Y983 WeakPolarHBondContact O-CE1 3.49Å; C968-Y983 WeakPolarHBondContact O-CE1 3.47Å; I969-Y983 HydrophobicContact CG2-CD1 4.29Å; T971-Y983 HydrophobicContact CG2-CD1 3.93Å; T971-Y983 HydrophobicContact CG2-CD2 4.31Å; T971-Y983 HydrophobicContact CG2-CE1 3.68Å; T971-Y983 HydrophobicContact CG2-CE2 4.09Å; T971-Y983 HydrophobicContact CG2-CG 4.24Å; E973-Y983 HydrophobicContact CB-CD2 4.13Å; E973-Y983 HydrophobicContact CB-CE2 4.01Å; E973-Y983 HydrophobicContact CG-CE2 4.26Å; Q979-Y983 WeakPolarHBondContact O-CB 3.15Å; Q979-Y983 PolarHBondContact O-N 2.83Å; Y983-G985 PolarHBondContact O-N 3.29Å; Y983-R986 WeakPolarHBondContact O-CB 3.47Å; Y983-R986 WeakPolarHBondContact O-CG 3.45Å; Y983-R986 PolarHBondContact O-N 3.39Å; Y983-R986 VanDerWaalsContact O-N 3.14Å
984	K	87.2	Confident	92	Very high	77 Å²	77	70.6 Å²	70.6	34%	0.335	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-23.5	172.9	-77.5	178.3	174.9	177.7	0	113.8	I969 V980	I969-K984 HydrophobicContact CG2-CG 4.15Å; V980-K984 HydrophobicContact CG1-CD 4.16Å; V980-K984 WeakPolarHBondContact O-CB 3.44Å; V980-K984 VanDerWaalsContact O-CG 3.32Å; V980-K984 WeakPolarHBondContact O-CG 3.28Å; V980-K984 PolarHBondContact O-N 2.98Å
985	G	88.1	Confident	92	Very high	66 Å²	66	74.1 Å²	74.1	68%	0.68	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-7.5	177.6	0	0	0	0	0	114.5	K981 Q982 Y983	K981-G985 PolarHBondContact O-N 2.77Å; K981-G985 VanDerWaalsContact O-N 3.16Å; Q982-G985 WeakPolarHBondContact O-CA 3.39Å; Q982-G985 PolarHBondContact O-N 2.9Å; Q982-G985 VanDerWaalsContact O-N 3.08Å; Y983-G985 PolarHBondContact O-N 3.29Å
986	R	92.3	Very high	92	Very high	123 Å²	123	72.6 Å²	72.6	46%	0.464	37%	0.372	S	S	.	.	S	Bend	trans	-65	146.6	174.6	-65.6	-179.4	-177.5	170.1	5.4	110.8	E973 Q982 Y983 K988	E973-R986 IonicContact OE1-NH1 2.74Å; E973-R986 PolarHBondContact OE1-NH1 3.29Å; E973-R986 IonicContact OE2-CZ 2.62Å; E973-R986 IonicContact OE2-NH1 3.87Å; E973-R986 PolarHBondContact OE2-NH1 2.94Å; E973-R986 IonicContact OE2-NH2 2.66Å; E973-R986 PolarHBondContact OE2-NH2 2.88Å; Q982-R986 PolarHBondContact O-N 3.49Å; Y983-R986 WeakPolarHBondContact O-CB 3.47Å; Y983-R986 WeakPolarHBondContact O-CG 3.45Å; Y983-R986 PolarHBondContact O-N 3.39Å; Y983-R986 VanDerWaalsContact O-N 3.14Å; R986-K988 PolarHBondContact O-N 3.21Å
987	L	90.5	Very high	92	Very high	132 Å²	132	70.7 Å²	70.7	69%	0.691	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-69.2	125.2	172.6	-151.3	76.2	0	0	0	108.6	Y992	L987-Y992 HydrophobicContact CB-CD1 4.17Å; L987-Y992 HydrophobicContact CB-CE1 4.16Å; L987-Y992 HydrophobicContact CD2-CD1 3.38Å; L987-Y992 HydrophobicContact CD2-CE1 3.96Å; L987-Y992 HydrophobicContact CD2-CG 3.82Å; L987-Y992 HydrophobicContact CG-CD1 3.6Å; L987-Y992 HydrophobicContact CG-CE1 4.1Å; L987-Y992 HydrophobicContact CG-CG 4.44Å
988	K	92.4	Very high	92.1	Very high	39 Å²	39	73.1 Å²	73.1	17%	0.17	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-86.4	137.3	-176.1	-59.8	172.1	-177.2	179.1	0	109.9	F966 C967 R986 S990 D991 Y992	F966-K988 WeakPolarHBondContact O-CD 3.4Å; F966-K988 WeakPolarHBondContact O-CE 3.43Å; F966-K988 WeakPolarHBondContact O-CG 3.42Å; C967-K988 HydrophobicContact CB-CG 4.29Å; R986-K988 PolarHBondContact O-N 3.21Å; K988-S990 WeakPolarHBondContact CB-OG 3.41Å; K988-S990 PolarHBondContact O-N 3.35Å; K988-S990 VanDerWaalsContact O-N 3.15Å; K988-D991 HydrophobicContact CB-CB 4.26Å; K988-D991 WeakPolarHBondContact O-CA 3.38Å; K988-D991 WeakPolarHBondContact O-CB 3.47Å; K988-D991 PolarHBondContact O-N 3.44Å; K988-Y992 VanDerWaalsContact C-CE1 3.44Å; K988-Y992 WeakPolarHBondContact O-CD1 3.33Å; K988-Y992 VanDerWaalsContact O-CE1 3.3Å; K988-Y992 WeakPolarHBondContact O-CE1 3.44Å
989	L	93.9	Very high	92.2	Very high	15 Å²	15	71 Å²	71	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-54.4	-38.4	176.5	-164.6	67.8	0	0	0	111.3	V965 D991 Y992 D993 A997 L1000	V965-L989 HydrophobicContact CG2-CD2 4.42Å; V965-L989 PolarHBondContact O-N 3.11Å; L989-D991 PolarHBondContact O-N 3.24Å; L989-Y992 HydrophobicContact CD1-CE1 4.41Å; L989-Y992 HydrophobicContact CD1-CE2 3.77Å; L989-Y992 WeakPolarHBondContact CD1-OH 3.5Å; L989-Y992 PolarHBondContact O-N 3.35Å; L989-D993 HydrophobicContact CD1-CB 3.93Å; L989-D993 CarbonylContact O-C 3.33Å; L989-D993 PolarHBondContact O-N 3.05Å; L989-A997 HydrophobicContact CB-CB 4.45Å; L989-A997 HydrophobicContact CD2-CB 4.33Å; L989-A997 HydrophobicContact CG-CB 4.13Å; L989-L1000 HydrophobicContact CD2-CD1 3.57Å
990	S	91.3	Very high	92.3	Very high	13 Å²	13	69.4 Å²	69.4	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-56.9	-18.3	173.9	68.7	0	0	0	0	115.9	V965 K988	V965-S990 PolarHBondContact O-N 2.87Å; V965-S990 VanDerWaalsContact O-N 3.15Å; K988-S990 WeakPolarHBondContact CB-OG 3.41Å; K988-S990 PolarHBondContact O-N 3.35Å; K988-S990 VanDerWaalsContact O-N 3.15Å
991	D	88.9	Confident	92.4	Very high	66 Å²	66	69.7 Å²	69.7	35%	0.353	37%	0.367	S	S	.	.	H	α-helix	trans	-105.3	-12.9	-173.4	-69.6	9	0	0	0	112.7	K850 K988 L989	K850-D991 WeakPolarHBondContact CE-OD1 3.02Å; K850-D991 IonicContact NZ-OD1 3.13Å; K850-D991 PolarHBondContact NZ-OD1 2.92Å; K850-D991 IonicContact NZ-OD2 3.46Å; K850-D991 PolarHBondContact NZ-OD2 3.08Å; K850-D991 VanDerWaalsContact NZ-OD2 3.13Å; K988-D991 HydrophobicContact CB-CB 4.26Å; K988-D991 WeakPolarHBondContact O-CA 3.38Å; K988-D991 WeakPolarHBondContact O-CB 3.47Å; K988-D991 PolarHBondContact O-N 3.44Å; L989-D991 PolarHBondContact O-N 3.24Å
992	Y	91.8	Very high	92.4	Very high	137 Å²	137	68.4 Å²	68.4	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-135.1	-19.4	-178.7	70.8	-96.7	0	0	0	115.9	L987 K988 L989	L987-Y992 HydrophobicContact CB-CD1 4.17Å; L987-Y992 HydrophobicContact CB-CE1 4.16Å; L987-Y992 HydrophobicContact CD2-CD1 3.38Å; L987-Y992 HydrophobicContact CD2-CE1 3.96Å; L987-Y992 HydrophobicContact CD2-CG 3.82Å; L987-Y992 HydrophobicContact CG-CD1 3.6Å; L987-Y992 HydrophobicContact CG-CE1 4.1Å; L987-Y992 HydrophobicContact CG-CG 4.44Å; K988-Y992 VanDerWaalsContact C-CE1 3.44Å; K988-Y992 WeakPolarHBondContact O-CD1 3.33Å; K988-Y992 VanDerWaalsContact O-CE1 3.3Å; K988-Y992 WeakPolarHBondContact O-CE1 3.44Å; L989-Y992 HydrophobicContact CD1-CE1 4.41Å; L989-Y992 HydrophobicContact CD1-CE2 3.77Å; L989-Y992 WeakPolarHBondContact CD1-OH 3.5Å; L989-Y992 PolarHBondContact O-N 3.35Å
993	D	93.4	Very high	92.4	Very high	55 Å²	55	67.1 Å²	67.1	29%	0.294	36%	0.364	S	S	.	.			trans	-142.3	79.9	175.2	-176.4	-5.3	0	0	0	109.7	L989 A995 S996 A997	L989-D993 HydrophobicContact CD1-CB 3.93Å; L989-D993 CarbonylContact O-C 3.33Å; L989-D993 PolarHBondContact O-N 3.05Å; D993-A995 PolarHBondContact O-N 3.03Å; D993-A995 PolarHBondContact OD1-N 2.86Å; D993-S996 VanDerWaalsContact CG-CB 3.43Å; D993-S996 VanDerWaalsContact CG-OG 3.25Å; D993-S996 PolarHBondContact O-N 3.28Å; D993-S996 PolarHBondContact OD1-N 3.33Å; D993-S996 PolarHBondContact OD1-OG 3.49Å; D993-S996 WeakPolarHBondContact OD2-CB 3.33Å; D993-S996 PolarHBondContact OD2-OG 3.17Å; D993-A997 VanDerWaalsContact O-CB 3.28Å; D993-A997 WeakPolarHBondContact O-CB 3.48Å; D993-A997 PolarHBondContact O-N 2.69Å
994	E	90.8	Very high	92.4	Very high	118 Å²	118	67.9 Å²	67.9	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-58.3	-34.1	177.1	159.2	156.8	-141.5	0	0	112.5	M851 A997 K998	M851-E994 HydrophobicContact CE-CB 4.38Å; M851-E994 HydrophobicContact CE-CG 3.71Å; E994-A997 PolarHBondContact O-N 3.37Å; E994-K998 VanDerWaalsContact O-CB 3.23Å; E994-K998 WeakPolarHBondContact O-CB 3.24Å; E994-K998 PolarHBondContact O-N 3.01Å
995	A	93.9	Very high	92.6	Very high	74 Å²	74	65.5 Å²	65.5	61%	0.612	36%	0.36	S	S	*	.	H	α-helix	trans	-67.5	-49.2	-178.9	0	0	0	0	0	111.3	D993 K998 A999	D993-A995 PolarHBondContact O-N 3.03Å; D993-A995 PolarHBondContact OD1-N 2.86Å; A995-K998 PolarHBondContact O-N 2.81Å; A995-A999 WeakPolarHBondContact O-CB 3.38Å; A995-A999 PolarHBondContact O-N 3.07Å
996	S	95.3	Very high	92.8	Very high	53 Å²	53	62.9 Å²	62.9	37%	0.371	33%	0.333	S	S	.	.	H	α-helix	trans	-67.9	-37.1	175.4	-63	0	0	0	0	112.3	D993 A999 L1000	D993-S996 VanDerWaalsContact CG-CB 3.43Å; D993-S996 VanDerWaalsContact CG-OG 3.25Å; D993-S996 PolarHBondContact O-N 3.28Å; D993-S996 PolarHBondContact OD1-N 3.33Å; D993-S996 PolarHBondContact OD1-OG 3.49Å; D993-S996 WeakPolarHBondContact OD2-CB 3.33Å; D993-S996 PolarHBondContact OD2-OG 3.17Å; S996-A999 PolarHBondContact O-N 2.8Å; S996-L1000 WeakPolarHBondContact O-CG 3.48Å; S996-L1000 PolarHBondContact O-N 2.93Å; S996-L1000 VanDerWaalsContact O-N 3.15Å
997	A	95	Very high	93	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-59.4	-49.3	174.2	0	0	0	0	0	111	M851 V965 L989 D993 E994 L1000 L1001	M851-A997 HydrophobicContact CE-CB 4.35Å; M851-A997 HydrophobicContact SD-CB 3.84Å; V965-A997 HydrophobicContact CG1-CB 3.96Å; L989-A997 HydrophobicContact CB-CB 4.45Å; L989-A997 HydrophobicContact CD2-CB 4.33Å; L989-A997 HydrophobicContact CG-CB 4.13Å; D993-A997 VanDerWaalsContact O-CB 3.28Å; D993-A997 WeakPolarHBondContact O-CB 3.48Å; D993-A997 PolarHBondContact O-N 2.69Å; E994-A997 PolarHBondContact O-N 3.37Å; A997-L1000 PolarHBondContact O-N 3.09Å; A997-L1001 VanDerWaalsContact O-CG 3.31Å; A997-L1001 WeakPolarHBondContact O-CG 3.23Å; A997-L1001 PolarHBondContact O-N 3.45Å
998	K	94	Very high	93.3	Very high	116 Å²	116	51.8 Å²	51.8	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-46.3	178	-172.7	174.3	178.4	179.6	0	112.1	M851 E994 A995 L1000 L1001 D1002	M851-K998 HydrophobicContact CE-CB 3.79Å; E994-K998 VanDerWaalsContact O-CB 3.23Å; E994-K998 WeakPolarHBondContact O-CB 3.24Å; E994-K998 PolarHBondContact O-N 3.01Å; A995-K998 PolarHBondContact O-N 2.81Å; K998-L1000 VanDerWaalsContact C-N 3.25Å; K998-L1000 PolarHBondContact O-N 2.89Å; K998-L1001 PolarHBondContact O-N 3.43Å; K998-D1002 WeakPolarHBondContact O-CB 3.31Å; K998-D1002 PolarHBondContact O-N 2.97Å
999	A	95	Very high	93.6	Very high	62 Å²	62	50.1 Å²	50.1	51%	0.512	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-34.8	179.2	0	0	0	0	0	113	A995 S996	A995-A999 WeakPolarHBondContact O-CB 3.38Å; A995-A999 PolarHBondContact O-N 3.07Å; S996-A999 PolarHBondContact O-N 2.8Å
1000	L	96.1	Very high	93.8	Very high	40 Å²	40	51.4 Å²	51.4	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-73.8	-37.8	173.1	-68.1	172.1	0	0	0	112.6	I961 K964 V965 L989 S996 A997 K998 D1003	I961-L1000 HydrophobicContact CG2-CB 4.15Å; I961-L1000 WeakPolarHBondContact CG2-O 3.44Å; K964-L1000 HydrophobicContact CD-CD1 3.84Å; K964-L1000 HydrophobicContact CG-CD1 4.3Å; V965-L1000 HydrophobicContact CG2-CB 3.91Å; V965-L1000 HydrophobicContact CG2-CD1 3.95Å; L989-L1000 HydrophobicContact CD2-CD1 3.57Å; S996-L1000 WeakPolarHBondContact O-CG 3.48Å; S996-L1000 PolarHBondContact O-N 2.93Å; S996-L1000 VanDerWaalsContact O-N 3.15Å; A997-L1000 PolarHBondContact O-N 3.09Å; K998-L1000 VanDerWaalsContact C-N 3.25Å; K998-L1000 PolarHBondContact O-N 2.89Å; L1000-D1003 PolarHBondContact O-N 3.45Å
1001	L	94.3	Very high	94.1	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-33.4	178.3	-66.2	175.4	0	0	0	112.8	M851 I961 Y962 V965 F966 A997 K998 D1003 L1004	M851-L1001 HydrophobicContact SD-CD1 3.84Å; I961-L1001 HydrophobicContact CG2-CD2 4.18Å; Y962-L1001 HydrophobicContact CD1-CD2 4.43Å; Y962-L1001 HydrophobicContact CE1-CD2 4.3Å; V965-L1001 HydrophobicContact CB-CD2 4.38Å; V965-L1001 HydrophobicContact CG1-CD1 4.12Å; V965-L1001 HydrophobicContact CG1-CD2 4.18Å; V965-L1001 HydrophobicContact CG1-CG 4.18Å; V965-L1001 HydrophobicContact CG2-CD2 4.28Å; V965-L1001 HydrophobicContact CG2-CG 4.38Å; F966-L1001 HydrophobicContact CE2-CD1 4.16Å; F966-L1001 HydrophobicContact CE2-CD2 3.73Å; F966-L1001 HydrophobicContact CZ-CD1 3.87Å; F966-L1001 HydrophobicContact CZ-CD2 4.3Å; A997-L1001 VanDerWaalsContact O-CG 3.31Å; A997-L1001 WeakPolarHBondContact O-CG 3.23Å; A997-L1001 PolarHBondContact O-N 3.45Å; K998-L1001 PolarHBondContact O-N 3.43Å; L1001-D1003 PolarHBondContact O-N 2.96Å; L1001-L1004 HydrophobicContact CB-CD1 4.35Å; L1001-L1004 HydrophobicContact CD2-CD1 3.59Å; L1001-L1004 VanDerWaalsContact O-CB 3.31Å; L1001-L1004 WeakPolarHBondContact O-CB 3.49Å; L1001-L1004 WeakPolarHBondContact O-CG 3.09Å; L1001-L1004 PolarHBondContact O-N 3.43Å
1002	D	91.6	Very high	94.5	Very high	123 Å²	123	48.4 Å²	48.4	66%	0.658	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.3	174.4	-74.3	-24.1	0	0	0	112.2	K998	K998-D1002 WeakPolarHBondContact O-CB 3.31Å; K998-D1002 PolarHBondContact O-N 2.97Å
1003	D	91.8	Very high	94.8	Very high	86 Å²	86	44.5 Å²	44.5	46%	0.46	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.1	176.6	-169.9	38.4	0	0	0	113.6	K957 L1000 L1001	K957-D1003 VanDerWaalsContact CE-CG 3.5Å; K957-D1003 WeakPolarHBondContact CE-O 3.49Å; K957-D1003 WeakPolarHBondContact CE-OD2 3.48Å; K957-D1003 PolarHBondContact NZ-O 2.86Å; K957-D1003 IonicContact NZ-OD1 2.72Å; K957-D1003 PolarHBondContact NZ-OD1 2.97Å; K957-D1003 IonicContact NZ-OD2 3.18Å; K957-D1003 PolarHBondContact NZ-OD2 3.21Å; L1000-D1003 PolarHBondContact O-N 3.45Å; L1001-D1003 PolarHBondContact O-N 2.96Å
1004	L	92.5	Very high	94.9	Very high	19 Å²	19	43.9 Å²	43.9	10%	0.099	26%	0.255	C	S	.	.			trans	-70	136.7	177.1	-73.8	169.9	0	0	0	112.9	H844 N958 I961 Y962 L1001	H844-L1004 VanDerWaalsContact CE1-CD1 3.42Å; H844-L1004 WeakPolarHBondContact CE1-CD1 3.31Å; N958-L1004 HydrophobicContact CB-CD2 3.81Å; N958-L1004 VanDerWaalsContact OD1-CD2 3.32Å; N958-L1004 WeakPolarHBondContact OD1-CD2 3.42Å; I961-L1004 HydrophobicContact CB-CD2 3.86Å; I961-L1004 HydrophobicContact CD1-CD2 3.94Å; I961-L1004 HydrophobicContact CD1-CG 4.4Å; I961-L1004 HydrophobicContact CG2-CD1 4.24Å; I961-L1004 HydrophobicContact CG2-CD2 3.68Å; I961-L1004 HydrophobicContact CG2-CG 3.9Å; Y962-L1004 HydrophobicContact CD1-CD1 4.41Å; Y962-L1004 HydrophobicContact CD2-CD2 4.44Å; Y962-L1004 HydrophobicContact CE1-CD1 3.72Å; Y962-L1004 HydrophobicContact CE2-CD1 4.22Å; Y962-L1004 HydrophobicContact CE2-CD2 4.21Å; L1001-L1004 HydrophobicContact CB-CD1 4.35Å; L1001-L1004 HydrophobicContact CD2-CD1 3.59Å; L1001-L1004 VanDerWaalsContact O-CB 3.31Å; L1001-L1004 WeakPolarHBondContact O-CB 3.49Å; L1001-L1004 WeakPolarHBondContact O-CG 3.09Å; L1001-L1004 PolarHBondContact O-N 3.43Å
1005	T	92.1	Very high	95.1	Very high	27 Å²	27	38.3 Å²	38.3	17%	0.166	23%	0.229	C	C	.	.			trans	-109.6	97.4	174.9	-57.5	0	0	0	0	110.6	L927 P935 I937 I954 N958	L927-T1005 WeakPolarHBondContact O-CG2 3.48Å; P935-T1005 HydrophobicContact CG-CG2 4.02Å; I937-T1005 HydrophobicContact CD1-CG2 4.31Å; I954-T1005 HydrophobicContact CD1-CG2 3.99Å; I954-T1005 HydrophobicContact CG1-CG2 4.41Å; I954-T1005 HydrophobicContact CG2-CG2 4.28Å; I954-T1005 VanDerWaalsContact CG2-O 3.29Å; I954-T1005 WeakPolarHBondContact CG2-O 3.48Å; N958-T1005 PolarHBondContact ND2-O 3.15Å; N958-T1005 PolarHBondContact OD1-N 2.86Å; N958-T1005 VanDerWaalsContact OD1-N 3.14Å
1006	G	93.2	Very high	95.1	Very high	11 Å²	11	34.9 Å²	34.9	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	73.9	-156.4	-179.6	0	0	0	0	0	114.4	H926	H926-G1006 WeakPolarHBondContact O-CA 3.36Å
1007	N	94.7	Very high	95	Very high	23 Å²	23	34.3 Å²	34.3	12%	0.123	20%	0.195	C	C	.	.	S	Bend	trans	-109.4	-9.9	-175.2	-64.9	-34	0	0	0	112.9	L841 R842 I856 H926 V1009	L841-N1007 CarbonylContact C-O 3.33Å; L841-N1007 WeakPolarHBondContact CA-O 3.47Å; L841-N1007 HydrophobicContact CD2-CB 4.2Å; R842-N1007 PolarHBondContact N-O 3.31Å; R842-N1007 WeakPolarHBondContact O-CA 3.38Å; I856-N1007 HydrophobicContact CD1-CB 3.86Å; H926-N1007 PolarHBondContact O-N 2.88Å; N1007-V1009 PolarHBondContact O-N 2.66Å
1008	L	97.4	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	130	-175.1	-174.4	70.6	0	0	0	112.5	L784 C839 H926 L927 W951 A955 N958	L784-L1008 HydrophobicContact CD2-CD1 4.4Å; C839-L1008 HydrophobicContact CB-CD1 3.7Å; H926-L1008 PolarHBondContact O-N 2.92Å; H926-L1008 VanDerWaalsContact O-N 3.15Å; L927-L1008 HydrophobicContact CD2-CD2 4Å; W951-L1008 HydrophobicContact CD2-CD2 3.63Å; W951-L1008 HydrophobicContact CE3-CD2 4.12Å; W951-L1008 HydrophobicContact CG-CD2 4.02Å; W951-L1008 HydrophobicContact CH2-CD1 4.08Å; W951-L1008 HydrophobicContact CH2-CD2 4.17Å; W951-L1008 HydrophobicContact CZ2-CD1 3.38Å; W951-L1008 HydrophobicContact CZ2-CD2 3.67Å; W951-L1008 HydrophobicContact CZ2-CG 4.18Å; W951-L1008 HydrophobicContact CZ3-CD2 4.38Å; A955-L1008 HydrophobicContact CB-CD2 3.93Å; A955-L1008 HydrophobicContact CB-CG 3.93Å; N958-L1008 WeakPolarHBondContact CB-O 3.24Å; N958-L1008 PolarHBondContact ND2-O 3.31Å
1009	V	98.3	Very high	94.8	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	165.7	172.6	-66.6	0	0	0	0	110.7	L787 C839 S840 R842 N958 Y962 N1007	L787-V1009 HydrophobicContact CD1-CG2 4.3Å; L787-V1009 HydrophobicContact CD2-CG2 4.34Å; C839-V1009 CarbonylContact C-O 3.51Å; C839-V1009 VanDerWaalsContact CA-O 3.26Å; C839-V1009 WeakPolarHBondContact CA-O 3.06Å; C839-V1009 WeakPolarHBondContact CB-O 3.26Å; S840-V1009 PolarHBondContact N-O 2.85Å; S840-V1009 WeakPolarHBondContact O-CG2 3.26Å; S840-V1009 PolarHBondContact O-N 2.96Å; R842-V1009 HydrophobicContact CB-CG1 4.01Å; R842-V1009 HydrophobicContact CB-CG2 4.15Å; N958-V1009 HydrophobicContact CB-CG1 4.1Å; Y962-V1009 HydrophobicContact CD2-CG1 3.64Å; Y962-V1009 HydrophobicContact CE2-CG1 3.92Å; N1007-V1009 PolarHBondContact O-N 2.66Å
1010	L	98.4	Very high	94.4	Very high	42 Å²	42	37 Å²	37	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	147.6	169.6	-64.7	175.5	0	0	0	110.1	I837 A955 R956 T959	I837-L1010 HydrophobicContact CD1-CD2 3.77Å; A955-L1010 HydrophobicContact CB-CD2 3.73Å; A955-L1010 HydrophobicContact CB-CG 4.08Å; R956-L1010 HydrophobicContact CB-CD1 3.98Å; R956-L1010 HydrophobicContact CG-CD1 4.19Å; T959-L1010 PolarHBondContact OG1-N 3.17Å
1011	F	98.3	Very high	94	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.031	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-85.2	122.2	165.8	-173.5	-86.5	0	0	0	108.5	L785 L787 T810 Y811 I814 F838 L1013	L785-F1011 HydrophobicContact CB-CD2 4.09Å; L785-F1011 HydrophobicContact CB-CE2 4.08Å; L787-F1011 HydrophobicContact CD2-CD2 4.48Å; T810-F1011 HydrophobicContact CG2-CZ 4.2Å; Y811-F1011 AromaticContact CE1-CE1 3.87Å; Y811-F1011 HydrophobicContact CE1-CE1 3.87Å; I814-F1011 HydrophobicContact CD1-CE1 4.32Å; F838-F1011 HydrophobicContact CB-CB 3.9Å; F838-F1011 PolarHBondContact O-N 3.39Å; F1011-L1013 HydrophobicContact CD1-CD2 4.17Å; F1011-L1013 PolarHBondContact O-N 2.92Å
1012	P	97.5	Very high	93.5	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.052	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72.9	117.4	-174.6	26.3	-31.3	0	0	0	111	Y811 P970 D972 F1015	Y811-P1012 WeakPolarHBondContact CE1-O 3.43Å; Y811-P1012 PolarHBondContact OH-O 3.39Å; P970-P1012 HydrophobicContact CB-CG 3.57Å; P970-P1012 HydrophobicContact CG-CG 3.52Å; D972-P1012 WeakPolarHBondContact OD1-CA 3.24Å; D972-P1012 WeakPolarHBondContact OD1-CB 3.4Å; P1012-F1015 HydrophobicContact CB-CB 4.08Å; P1012-F1015 HydrophobicContact CG-CB 4.29Å
1013	L	96.8	Very high	92.8	Very high	55 Å²	55	33 Å²	33	29%	0.288	19%	0.192	S	C	.	.	S	Bend	trans	-90.3	-16.1	-172.7	-63.5	176.8	0	0	0	113.9	I814 S815 L822 F838 D972 F1011	I814-L1013 HydrophobicContact CG2-CD2 3.58Å; S815-L1013 PolarHBondContact OG-O 3.27Å; S815-L1013 VanDerWaalsContact OG-O 3.06Å; L822-L1013 HydrophobicContact CD1-CD1 3.75Å; L822-L1013 HydrophobicContact CD1-CD2 4.19Å; F838-L1013 HydrophobicContact CB-CD2 4.36Å; D972-L1013 PolarHBondContact OD1-N 3.24Å; D972-L1013 PolarHBondContact OD2-N 2.91Å; F1011-L1013 HydrophobicContact CD1-CD2 4.17Å; F1011-L1013 PolarHBondContact O-N 2.92Å
1014	S	95.9	Very high	92.1	Very high	43 Å²	43	31.6 Å²	31.6	30%	0.301	19%	0.189	S	C	.	.	S	Bend	trans	-111.1	-7.4	-178.4	-60.5	0	0	0	0	113.9	D972 L1016 C1017	D972-S1014 VanDerWaalsContact OD1-CA 3.31Å; D972-S1014 WeakPolarHBondContact OD1-CA 3.36Å; D972-S1014 WeakPolarHBondContact OD1-CB 3.41Å; D972-S1014 PolarHBondContact OD1-N 3.4Å; S1014-L1016 PolarHBondContact O-N 3.48Å; S1014-C1017 WeakPolarHBondContact O-CB 3.3Å; S1014-C1017 PolarHBondContact O-N 3.36Å; S1014-C1017 PolarHBondContact O-SG 3.15Å
1015	F	95.7	Very high	91.5	Very high	1 Å²	1	39 Å²	39	0%	0.004	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	124.1	173.9	174.6	-110.9	0	0	0	111	V795 L807 Y811 I969 P970 T971 D972 A974 V980 P1012 C1017	V795-F1015 HydrophobicContact CG1-CE1 4.34Å; V795-F1015 HydrophobicContact CG1-CZ 4.16Å; L807-F1015 HydrophobicContact CD1-CE1 4.25Å; Y811-F1015 HydrophobicContact CE2-CD1 4.33Å; I969-F1015 HydrophobicContact CB-CE2 4.49Å; P970-F1015 HydrophobicContact CB-CB 4.09Å; P970-F1015 HydrophobicContact CB-CD1 3.46Å; P970-F1015 VanDerWaalsContact CB-CD1 3.46Å; P970-F1015 HydrophobicContact CB-CD2 3.74Å; P970-F1015 HydrophobicContact CB-CE1 3.66Å; P970-F1015 HydrophobicContact CB-CE2 3.9Å; P970-F1015 HydrophobicContact CB-CG 3.49Å; P970-F1015 VanDerWaalsContact CB-CG 3.49Å; P970-F1015 HydrophobicContact CB-CZ 3.87Å; T971-F1015 WeakPolarHBondContact O-CA 3.47Å; T971-F1015 WeakPolarHBondContact O-CB 3.33Å; T971-F1015 VanDerWaalsContact O-CD2 3.31Å; T971-F1015 WeakPolarHBondContact O-CD2 3.39Å; D972-F1015 PolarHBondContact OD1-N 2.94Å; A974-F1015 HydrophobicContact CB-CD2 4.45Å; V980-F1015 HydrophobicContact CG2-CD2 4.39Å; V980-F1015 HydrophobicContact CG2-CE2 3.57Å; V980-F1015 HydrophobicContact CG2-CZ 4.2Å; P1012-F1015 HydrophobicContact CB-CB 4.08Å; P1012-F1015 HydrophobicContact CG-CB 4.29Å; F1015-C1017 PolarHBondContact O-N 3.35Å; F1015-C1017 VanDerWaalsContact O-N 3.11Å
1016	L	94	Very high	90.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	22.9	-177.1	-62.8	179.2	0	0	0	115.8	V795 A974 K975 T976 F977 V980 S1014 N1018 S1019 L1021	V795-L1016 HydrophobicContact CG1-CD1 3.23Å; A974-L1016 PolarHBondContact O-N 2.99Å; K975-L1016 CarbonylContact O-C 3.28Å; K975-L1016 VanDerWaalsContact O-C 3.28Å; K975-L1016 VanDerWaalsContact O-CA 3.29Å; K975-L1016 WeakPolarHBondContact O-CA 3.24Å; T976-L1016 WeakPolarHBondContact O-CD2 3.49Å; F977-L1016 HydrophobicContact CD1-CD1 3.93Å; F977-L1016 HydrophobicContact CD1-CD2 4Å; F977-L1016 HydrophobicContact CE1-CD1 3.67Å; F977-L1016 HydrophobicContact CE1-CD2 4.44Å; F977-L1016 HydrophobicContact CG-CD2 4.31Å; F977-L1016 HydrophobicContact CZ-CD1 4.46Å; V980-L1016 HydrophobicContact CG2-CD2 3.59Å; V980-L1016 HydrophobicContact CG2-CG 4.17Å; S1014-L1016 PolarHBondContact O-N 3.48Å; L1016-N1018 PolarHBondContact O-N 3.03Å; L1016-N1018 VanDerWaalsContact O-N 3.17Å; L1016-S1019 WeakPolarHBondContact O-CB 3.39Å; L1016-S1019 PolarHBondContact O-N 2.72Å; L1016-L1021 HydrophobicContact CB-CD1 4.35Å; L1016-L1021 HydrophobicContact CB-CD2 4.16Å; L1016-L1021 HydrophobicContact CD1-CD2 3.99Å
1017	C	92.7	Very high	89.9	Confident	41 Å²	41	45.8 Å²	45.8	28%	0.277	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.1	-177.4	66.2	0	0	0	0	113.7	K816 S1014 F1015	K816-C1017 PolarHBondContact NZ-O 2.7Å; S1014-C1017 WeakPolarHBondContact O-CB 3.3Å; S1014-C1017 PolarHBondContact O-N 3.36Å; S1014-C1017 PolarHBondContact O-SG 3.15Å; F1015-C1017 PolarHBondContact O-N 3.35Å; F1015-C1017 VanDerWaalsContact O-N 3.11Å
1018	N	93.6	Very high	88.9	Confident	117 Å²	117	52.7 Å²	52.7	63%	0.626	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.6	177.1	-65.1	-10.3	0	0	0	113.4	K975 T976 L1016	K975-N1018 HydrophobicContact CB-CB 4.32Å; K975-N1018 WeakPolarHBondContact O-CA 3.16Å; K975-N1018 WeakPolarHBondContact O-CB 3.35Å; K975-N1018 PolarHBondContact O-N 2.78Å; T976-N1018 HydrophobicContact CG2-CB 3.93Å; L1016-N1018 PolarHBondContact O-N 3.03Å; L1016-N1018 VanDerWaalsContact O-N 3.17Å
1019	S	90.3	Very high	88	Confident	12 Å²	12	54.3 Å²	54.3	8%	0.084	29%	0.285	C	S	.	.	S	Bend	trans	-92.8	153.4	169.6	-69.9	0	0	0	0	111.3	K816 F977 L1016	K816-S1019 PolarHBondContact NZ-O 3.07Å; F977-S1019 WeakPolarHBondContact CD2-OG 3.48Å; F977-S1019 PolarHBondContact N-OG 2.72Å; L1016-S1019 WeakPolarHBondContact O-CB 3.39Å; L1016-S1019 PolarHBondContact O-N 2.72Å
1020	D	86.9	Confident	87	Confident	107 Å²	107	55.5 Å²	55.5	57%	0.572	30%	0.297	S	S	*	.			trans	-80.1	126.4	155.1	-170.1	12	0	0	0	109.1	S1022	D1020-S1022 VanDerWaalsContact CG-OG 3.27Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.36Å; D1020-S1022 PolarHBondContact OD1-N 3.42Å; D1020-S1022 PolarHBondContact OD1-OG 3.42Å; D1020-S1022 VanDerWaalsContact OD1-OG 3.09Å; D1020-S1022 PolarHBondContact OD2-OG 3.35Å
1021	L	88.3	Confident	86.1	Confident	8 Å²	8	60 Å²	60	4%	0.042	32%	0.321	C	S	.	.			trans	-109.5	1.9	175.8	-61.2	-179.4	0	0	0	111.2	L807 Y808 Y811 F977 L1016	L807-L1021 HydrophobicContact CB-CD1 4.21Å; Y808-L1021 WeakPolarHBondContact CB-O 3.32Å; Y808-L1021 HydrophobicContact CD2-CB 4.27Å; Y808-L1021 HydrophobicContact CG-CB 4.49Å; Y811-L1021 HydrophobicContact CD2-CD1 3.96Å; Y811-L1021 HydrophobicContact CE2-CD1 4.44Å; F977-L1021 HydrophobicContact CE1-CD2 4.1Å; F977-L1021 HydrophobicContact CE2-CD2 4.43Å; F977-L1021 HydrophobicContact CZ-CD2 3.6Å; L1016-L1021 HydrophobicContact CB-CD1 4.35Å; L1016-L1021 HydrophobicContact CB-CD2 4.16Å; L1016-L1021 HydrophobicContact CD1-CD2 3.99Å
1022	S	83.9	Confident	85.2	Confident	47 Å²	47	61 Å²	61	33%	0.329	33%	0.33	S	S	.	.	S	Bend	trans	-60.4	143.8	-179	77.6	0	0	0	0	111	D1020 S1024	D1020-S1022 VanDerWaalsContact CG-OG 3.27Å; D1020-S1022 WeakPolarHBondContact OD1-CB 3.36Å; D1020-S1022 PolarHBondContact OD1-N 3.42Å; D1020-S1022 PolarHBondContact OD1-OG 3.42Å; D1020-S1022 VanDerWaalsContact OD1-OG 3.09Å; D1020-S1022 PolarHBondContact OD2-OG 3.35Å; S1022-S1024 PolarHBondContact O-N 2.95Å
1023	P	76.6	Confident	84.5	Confident	33 Å²	33	63.6 Å²	63.6	21%	0.214	35%	0.347	C	S	.	.			trans	-61.4	109.9	175.4	-24.2	35.6	0	0	0	110.8	A805 Y1025 E1029 G1030	A805-P1023 HydrophobicContact CB-CG 3.64Å; P1023-Y1025 PolarHBondContact O-N 3.07Å; P1023-E1029 HydrophobicContact CB-CB 3.98Å; P1023-G1030 WeakPolarHBondContact O-CA 3.33Å
1024	S	77.9	Confident	83.8	Confident	57 Å²	57	64.1 Å²	64.1	40%	0.399	35%	0.353	S	S	.	.			trans	-59.8	135.1	177.7	175.6	0	0	0	0	110.5	S1022 M1026 T1027 G1030	S1022-S1024 PolarHBondContact O-N 2.95Å; S1024-M1026 PolarHBondContact O-N 3.23Å; S1024-M1026 PolarHBondContact OG-N 2.72Å; S1024-T1027 PolarHBondContact O-N 2.88Å; S1024-T1027 PolarHBondContact O-OG1 3.11Å; S1024-G1030 WeakPolarHBondContact O-CA 3.46Å
1025	Y	78.7	Confident	83.2	Confident	174 Å²	174	63.7 Å²	63.7	68%	0.682	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-13.6	177.4	68.1	-90.2	0	0	0	114.3	P1023 L1031	P1023-Y1025 PolarHBondContact O-N 3.07Å; Y1025-L1031 WeakPolarHBondContact O-CD2 3.23Å
1026	M	77.5	Confident	82.5	Confident	147 Å²	147	66.2 Å²	66.2	72%	0.724	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.8	174.8	-63.2	-64.4	-74.4	0	0	113.9	S1024	S1024-M1026 PolarHBondContact O-N 3.23Å; S1024-M1026 PolarHBondContact OG-N 2.72Å
1027	T	73.7	Confident	82	Confident	35 Å²	35	67.5 Å²	67.5	22%	0.215	37%	0.369	C	S	.	.	S	Bend	trans	-102.5	163.1	175.9	86.2	0	0	0	0	111.7	S1024 E1029 G1030 L1031	S1024-T1027 PolarHBondContact O-N 2.88Å; S1024-T1027 PolarHBondContact O-OG1 3.11Å; T1027-E1029 WeakPolarHBondContact CB-OE2 3.38Å; T1027-E1029 PolarHBondContact O-N 2.97Å; T1027-E1029 PolarHBondContact OG1-N 3.07Å; T1027-E1029 PolarHBondContact OG1-OE2 3.43Å; T1027-G1030 PolarHBondContact O-N 3.04Å; T1027-G1030 PolarHBondContact OG1-N 3.39Å; T1027-L1031 PolarHBondContact O-N 3.35Å
1028	K	74.3	Confident	81.6	Confident	167 Å²	167	65.6 Å²	65.6	73%	0.726	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31	175.6	-64.1	177	-177.5	174.1	0	111.6	A1032	K1028-A1032 WeakPolarHBondContact O-CB 3.45Å; K1028-A1032 PolarHBondContact O-N 3.17Å; K1028-A1032 VanDerWaalsContact O-N 3.12Å
1029	E	78.5	Confident	81	Confident	35 Å²	35	63 Å²	63	16%	0.164	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-37.5	-179.1	-60.4	67.2	-141.3	0	0	112.1	S801 A802 P1023 T1027 L1031 A1032 F1037	S801-E1029 WeakPolarHBondContact CB-OE2 3.4Å; S801-E1029 PolarHBondContact OG-OE2 3.3Å; A802-E1029 HydrophobicContact CB-CG 4.29Å; P1023-E1029 HydrophobicContact CB-CB 3.98Å; T1027-E1029 WeakPolarHBondContact CB-OE2 3.38Å; T1027-E1029 PolarHBondContact O-N 2.97Å; T1027-E1029 PolarHBondContact OG1-N 3.07Å; T1027-E1029 PolarHBondContact OG1-OE2 3.43Å; E1029-L1031 VanDerWaalsContact C-N 3.31Å; E1029-A1032 PolarHBondContact O-N 3.07Å; E1029-F1037 HydrophobicContact CB-CE1 4.22Å; E1029-F1037 HydrophobicContact CB-CE2 4.2Å; E1029-F1037 HydrophobicContact CB-CZ 3.51Å; E1029-F1037 HydrophobicContact CG-CE1 4.07Å; E1029-F1037 HydrophobicContact CG-CZ 3.75Å; E1029-F1037 WeakPolarHBondContact O-CE2 3.41Å
1030	G	77.1	Confident	80.5	Confident	28 Å²	28	65.7 Å²	65.7	29%	0.289	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-19.5	174.2	0	0	0	0	0	114.4	P1023 S1024 T1027	P1023-G1030 WeakPolarHBondContact O-CA 3.33Å; S1024-G1030 WeakPolarHBondContact O-CA 3.46Å; T1027-G1030 PolarHBondContact O-N 3.04Å; T1027-G1030 PolarHBondContact OG1-N 3.39Å
1031	L	80.2	Confident	80.1	Confident	138 Å²	138	63.4 Å²	63.4	72%	0.723	34%	0.344	S	S	*	.	S	Bend	trans	-87.7	-13.7	170.2	-63.4	176	0	0	0	113.1	Y1025 T1027 E1029	Y1025-L1031 WeakPolarHBondContact O-CD2 3.23Å; T1027-L1031 PolarHBondContact O-N 3.35Å; E1029-L1031 VanDerWaalsContact C-N 3.31Å
1032	A	79	Confident	79.6	Confident	27 Å²	27	66.6 Å²	66.6	22%	0.223	36%	0.361	C	S	.	.	S	Bend	trans	-79.6	147.9	176.6	0	0	0	0	0	110.9	K1028 E1029 T1034 L1036 F1037	K1028-A1032 WeakPolarHBondContact O-CB 3.45Å; K1028-A1032 PolarHBondContact O-N 3.17Å; K1028-A1032 VanDerWaalsContact O-N 3.12Å; E1029-A1032 PolarHBondContact O-N 3.07Å; A1032-T1034 PolarHBondContact O-N 3.07Å; A1032-L1036 HydrophobicContact CB-CD2 3.69Å; A1032-F1037 HydrophobicContact CB-CE2 4.03Å; A1032-F1037 HydrophobicContact CB-CZ 4.32Å
1033	P	82.8	Confident	79.4	Confident	62 Å²	62	67.9 Å²	67.9	40%	0.403	36%	0.363	S	S	.	.			trans	-63.2	139.7	175.2	27.3	-34.1	0	0	0	110.4	L477 S1035 L1036	L477-P1033 HydrophobicContact CD1-CG 3.68Å; L477-P1033 HydrophobicContact CD2-CG 4.41Å; P1033-S1035 PolarHBondContact O-N 3.16Å; P1033-L1036 VanDerWaalsContact O-CB 3.26Å; P1033-L1036 WeakPolarHBondContact O-CB 3.36Å; P1033-L1036 PolarHBondContact O-N 3.41Å
1034	T	82.3	Confident	79.6	Confident	67 Å²	67	70.2 Å²	70.2	41%	0.411	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-46.5	-36.6	178.3	-59.7	0	0	0	0	113.7	D756 W809 A1032 L1036 F1037 T1038	D756-T1034 HydrophobicContact CB-CG2 4.45Å; W809-T1034 HydrophobicContact CH2-CG2 3.73Å; W809-T1034 HydrophobicContact CZ2-CG2 3.29Å; A1032-T1034 PolarHBondContact O-N 3.07Å; T1034-L1036 PolarHBondContact O-N 2.97Å; T1034-F1037 PolarHBondContact O-N 3.4Å; T1034-T1038 HydrophobicContact CG2-CG2 3.97Å; T1034-T1038 PolarHBondContact O-N 3.36Å; T1034-T1038 VanDerWaalsContact O-N 3.14Å
1035	S	83.1	Confident	79.7	Confident	34 Å²	34	71.1 Å²	71.1	24%	0.238	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-65	-3.5	177.7	59.4	0	0	0	0	115.4	W478 R886 P1033 T1038	W478-S1035 VanDerWaalsContact CH2-O 3.23Å; W478-S1035 WeakPolarHBondContact CH2-O 3.43Å; W478-S1035 VanDerWaalsContact CZ3-O 3.25Å; W478-S1035 WeakPolarHBondContact CZ3-O 3.48Å; R886-S1035 PolarHBondContact NH1-O 3.02Å; P1033-S1035 PolarHBondContact O-N 3.16Å; S1035-T1038 VanDerWaalsContact O-OXT 3.1Å
1036	L	82.1	Confident	79.8	Confident	53 Å²	53	63.2 Å²	63.2	28%	0.277	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-75	-34.3	168	-172.1	74	0	0	0	111.6	L477 R880 A1032 P1033 T1034	L477-L1036 HydrophobicContact CB-CD1 4.36Å; L477-L1036 HydrophobicContact CD2-CD1 4.03Å; R880-L1036 PolarHBondContact NE-O 2.97Å; R880-L1036 VanDerWaalsContact NH2-CD1 3.33Å; R880-L1036 PolarHBondContact NH2-O 2.87Å; A1032-L1036 HydrophobicContact CB-CD2 3.69Å; P1033-L1036 VanDerWaalsContact O-CB 3.26Å; P1033-L1036 WeakPolarHBondContact O-CB 3.36Å; P1033-L1036 PolarHBondContact O-N 3.41Å; T1034-L1036 PolarHBondContact O-N 2.97Å
1037	F	82.1	Confident	79.9	Confident	29 Å²	29	56.3 Å²	56.3	13%	0.127	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-20.9	-175.3	-52.5	-75.6	0	0	0	113.7	A805 E1029 A1032 T1034	A805-F1037 HydrophobicContact CB-CD1 3.73Å; A805-F1037 HydrophobicContact CB-CE1 3.81Å; A805-F1037 HydrophobicContact CB-CG 4.19Å; A805-F1037 HydrophobicContact CB-CZ 4.33Å; E1029-F1037 HydrophobicContact CB-CE1 4.22Å; E1029-F1037 HydrophobicContact CB-CE2 4.2Å; E1029-F1037 HydrophobicContact CB-CZ 3.51Å; E1029-F1037 HydrophobicContact CG-CE1 4.07Å; E1029-F1037 HydrophobicContact CG-CZ 3.75Å; E1029-F1037 WeakPolarHBondContact O-CE2 3.41Å; A1032-F1037 HydrophobicContact CB-CE2 4.03Å; A1032-F1037 HydrophobicContact CB-CZ 4.32Å; T1034-F1037 PolarHBondContact O-N 3.4Å
1038	T	84.2	Confident	80.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.325	C	S	.	.			trans	-86.1	0	163.2	76.4	0	0	0	0	110.5	V749 D756 V757 W809 N878 D879 R880 R886 T1034 S1035	V749-T1038 HydrophobicContact CG1-CG2 4.09Å; D756-T1038 PolarHBondContact O-OG1 2.87Å; V757-T1038 HydrophobicContact CG2-CG2 3.68Å; W809-T1038 HydrophobicContact CD2-CG2 3.93Å; W809-T1038 HydrophobicContact CE3-CG2 4.07Å; W809-T1038 HydrophobicContact CG-CG2 4.42Å; W809-T1038 HydrophobicContact CZ2-CG2 4.42Å; W809-T1038 HydrophobicContact CZ3-CG2 4.34Å; N878-T1038 CarbonylContact C-O 3.59Å; N878-T1038 VanDerWaalsContact CB-O 3.26Å; N878-T1038 WeakPolarHBondContact CB-O 3.31Å; D879-T1038 CarbonylContact C-O 3.57Å; D879-T1038 VanDerWaalsContact CA-O 3.3Å; D879-T1038 WeakPolarHBondContact CA-O 3.21Å; D879-T1038 VanDerWaalsContact CB-O 3.32Å; D879-T1038 WeakPolarHBondContact CB-O 3.37Å; D879-T1038 PolarHBondContact N-O 3.18Å; R880-T1038 PolarHBondContact N-O 2.63Å; R886-T1038 PolarHBondContact NH1-OG1 2.91Å; R886-T1038 PolarHBondContact NH1-OXT 2.85Å; R886-T1038 PolarHBondContact NH2-OG1 3.44Å; T1034-T1038 HydrophobicContact CG2-CG2 3.97Å; T1034-T1038 PolarHBondContact O-N 3.36Å; T1034-T1038 VanDerWaalsContact O-N 3.14Å; S1035-T1038 VanDerWaalsContact O-OXT 3.1Å

Retrieved 1,038 of 1,038 residues in 1061.6 ms (Link to these results)

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