A0A5K4F234_SCHMA Loading...

Coatomer subunit alpha

The coatomer is a cytosolic protein complex that binds to dilysine motifs and reversibly associates with Golgi non-clathrin-coated vesicles, which further mediate biosynthetic protein transport from the ER, via the Golgi up to the trans Golgi network. Coatomer complex is required for budding from Golgi membranes, and is essential for the retrograde Golgi-to-ER transport of dilysine-tagged proteins. In mammals, the coatomer can only be recruited by membranes associated to ADP-ribosylation factors (ARFs), which are small GTP-binding proteins; the complex also influences the Golgi structural integrity, as well as the processing, activity, and endocytic recycling of LDL receptors. Xenin stimulates exocrine pancreatic secretion. It inhibits pentagastrin-stimulated secretion of acid, to induce exocrine pancreatic secretion and to affect small and large intestinal motility. In the gut, xenin interacts with the neurotensin receptor.

AlphaFold DB , UniProt , Accession A0A5K4F234, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,306 aa.

						>A0A5K4F234_SCHMA|A0A5K4F234
MSYLSKFDCKSARVKGLAFHPKRPWILSSLHTGIIQLWDYRSCTLIEKFEGHEGPVRGIDFHANQPLFVSGGDDYKIKVWNYKQRKCLFNLIGHLDYIRTTFFHKEYPWILSSSDDQTIRIWNWQSRAIVSILTGHSHYVMCAQFHPREDLIVSASLDQTVRVWDMSGLRKKSVAPSSLSSIEDHSRHFTGSSGSGVSGSNLFGPSHTELFGTTEVIVRHVLEGHDRGVNWVAFHPTLPIVVSAADDRLIKIWRMTESKAWELDTLRGHFNNVSCVVFHPRQDLLLSDSEDKSIRIWDLAKRTCVSTIRRDSDRFWVLNAHPKLNLFAAGHDTGFVVFKLERERPAFTVYKDYMFYVKLPHLRRVDFAVTKDVPVIQLREGRGQAVSVGYNPIENAMLVLSRPRQSELNASANMSITSGTSMVYDLYMLPKTMGSSNSQPEHVESRSGSGIAVAWIGRNRFAVLESSGSIVIKNLSNENVKKVSYSGVDQFFYAGTGNLLIRDSNGISLCDVANKRTLSTLKHIKYIRHVIWSPDGQYVAMFTKLYLYLCDRHLEVKATVHETVRIKSGAWEEHGVFVYTTSNHIKYCLLNGDYGIIRTLELPVYITRVRGNSVYCIDRDCSPLVFTIDPTEFRFKLALINRRYEEVLHMVRNSNLVGQAIIGYLEKKGYPEVALHFVKDTRTRFSLAMDCGQLDVGLEAAQALDDKACWERLGELALKQGKLQLVEMTYQRVKNFDKLTFLYLITGNLEKLRKMMKIAEIRKDTSSHYHIALLLGDVAERVKLLRNCGQKPLAYLTSATHGLQQETKELEEQLTALSLQSVPGDSNVSFVPEIDSNASLIMPSPPILRADKITDGKPSETDWPLLSIQLDFFETAIAQRRNAALKSNNKNDEQDSKLIGTSVASASLLLDTEDVPEGAWGKDANLELDEPNELEDELDIGGDTVNTNETGDKNPEDGGWDINDADLELPSDLQNSSTVLTNKNENAYVAPSPGRPNSYLWSENSNLPADQIMAGNWMNAMRLLSAQVGVVNFEPYKTIFMNLFSASRIMCMALPLVPSQFAYPQRNWKKVSSTSALPAPVISLNDLITRLQTAYQLTTKGKFQDAINRFRMILLSIPLLVVDSPSEESEARSLINICREYIVGLSMEMTRKSMPKDTIAEQIRNAELACYFTHCRLETPHLILTLRTALNLLYKLKNYRSAATMARRLLDLAPSIEVAQQTRKILQACESVTPNEDSHTLSYDPLNPFDICAATYTPIYRGKDSVRDPLSGAYYVPTMKGQLCRVTGVTEIGIEHQGLVIRSNRS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.6	Low	76	Confident	46 Å²	46	52.4 Å²	52.4	23%	0.227	27%	0.265	C	S	.	.				0	-174.7	0	-79.4	171.8	-159.3	0	0	109.1	L284 I296 V305 L340 Q405	M1-L284 HydrophobicContact CE-CD1 3.46Å; M1-L284 VanDerWaalsContact CE-CD1 3.46Å; M1-L284 HydrophobicContact CE-CD2 3.76Å; M1-L284 HydrophobicContact CE-CG 4.28Å; M1-L284 HydrophobicContact SD-CD1 4.35Å; M1-I296 HydrophobicContact CE-CG2 3.93Å; M1-I296 HydrophobicContact SD-CB 4.45Å; M1-I296 HydrophobicContact SD-CG2 3.82Å; M1-V305 HydrophobicContact CE-CB 4.46Å; M1-V305 HydrophobicContact CE-CG1 4.03Å; M1-L340 WeakPolarHBondContact CB-O 3.35Å; M1-L340 HydrophobicContact SD-CB 3.96Å; M1-L340 HydrophobicContact SD-CD1 3.96Å; M1-L340 HydrophobicContact SD-CG 4.39Å; M1-Q405 PolarHBondContact O-OE1 3.21Å; M1-Q405 VanDerWaalsContact O-OE1 3.08Å
2	S	58.7	Low	77.4	Confident	29 Å²	29	51.5 Å²	51.5	20%	0.203	27%	0.272	C	S	.	.			trans	-131.9	105.9	171	62.5	0	0	0	0	109.5	L4 K339 L340	S2-L4 WeakPolarHBondContact O-CG 3.36Å; S2-L4 PolarHBondContact O-N 3.47Å; S2-L4 VanDerWaalsContact O-N 3.13Å; S2-L4 WeakPolarHBondContact OG-CD1 3.43Å; S2-K339 VanDerWaalsContact O-O 3.13Å; S2-L340 CarbonylContact C-O 3.55Å; S2-L340 PolarHBondContact N-O 2.76Å; S2-L340 CarbonylContact O-C 3.54Å; S2-L340 VanDerWaalsContact O-C 3.28Å
3	Y	67.1	Low	78.9	Confident	48 Å²	48	52.8 Å²	52.8	19%	0.188	27%	0.271	C	S	.	.			trans	-62.7	113.5	171.8	172.8	-111.8	0	0	0	109.9	I308 V336 F338 I416	Y3-I308 HydrophobicContact CD1-CG2 4.08Å; Y3-I308 HydrophobicContact CD2-CD1 3.49Å; Y3-I308 VanDerWaalsContact CD2-CD1 3.49Å; Y3-I308 HydrophobicContact CD2-CG1 4.03Å; Y3-I308 HydrophobicContact CD2-CG2 3.9Å; Y3-I308 HydrophobicContact CE1-CG2 4.07Å; Y3-I308 HydrophobicContact CE2-CD1 4.18Å; Y3-I308 HydrophobicContact CE2-CG2 3.89Å; Y3-I308 HydrophobicContact CG-CD1 4.02Å; Y3-I308 HydrophobicContact CG-CG1 4.09Å; Y3-I308 HydrophobicContact CG-CG2 3.97Å; Y3-V336 WeakPolarHBondContact OH-CG2 3.38Å; Y3-F338 HydrophobicContact CD2-CB 3.92Å; Y3-F338 AromaticContact CD2-CD2 3.66Å; Y3-F338 HydrophobicContact CD2-CD2 3.66Å; Y3-F338 HydrophobicContact CD2-CE2 4.37Å; Y3-F338 AromaticContact CD2-CG 3.9Å; Y3-F338 HydrophobicContact CD2-CG 3.9Å; Y3-F338 HydrophobicContact CE2-CB 3.48Å; Y3-F338 VanDerWaalsContact CE2-CB 3.48Å; Y3-F338 HydrophobicContact CE2-CD1 4.03Å; Y3-F338 AromaticContact CE2-CD2 3.7Å; Y3-F338 HydrophobicContact CE2-CD2 3.7Å; Y3-F338 HydrophobicContact CE2-CE2 4.41Å; Y3-F338 AromaticContact CE2-CG 3.48Å; Y3-F338 HydrophobicContact CE2-CG 3.48Å; Y3-F338 VanDerWaalsContact CE2-CG 3.48Å; Y3-I416 HydrophobicContact CD1-CD1 4.08Å; Y3-I416 HydrophobicContact CG-CD1 4.36Å
4	L	68.8	Low	80.2	Confident	58 Å²	58	49 Å²	49	30%	0.304	25%	0.252	S	S	.	.			trans	-124.7	83.8	-173.2	-71.8	170.6	0	0	0	111.4	S2 K6 K339 R342	S2-L4 WeakPolarHBondContact O-CG 3.36Å; S2-L4 PolarHBondContact O-N 3.47Å; S2-L4 VanDerWaalsContact O-N 3.13Å; S2-L4 WeakPolarHBondContact OG-CD1 3.43Å; L4-K6 VanDerWaalsContact O-CD 3.29Å; L4-K6 WeakPolarHBondContact O-CD 3.47Å; L4-K6 WeakPolarHBondContact O-CE 3.47Å; L4-K6 PolarHBondContact O-N 3.24Å; L4-K339 HydrophobicContact CB-CB 4.47Å; L4-K339 PolarHBondContact N-O 3.45Å; L4-K339 PolarHBondContact O-N 2.86Å; L4-R342 HydrophobicContact CD1-CB 4Å
5	S	73.3	Confident	81.3	Confident	44 Å²	44	48.2 Å²	48.2	31%	0.308	25%	0.246	S	C	.	.			trans	-51	129.2	172.7	172.8	0	0	0	0	112.4	R565	S5-R565 PolarHBondContact O-NH2 3.26Å
6	K	75.9	Confident	82.3	Confident	44 Å²	44	45.3 Å²	45.3	19%	0.191	23%	0.232	C	C	.	.	S	Bend	trans	-107.2	-38.2	179.9	-53.4	-51.4	179.4	-169.9	0	111.1	L4 L326 V337 K339 R565	L4-K6 VanDerWaalsContact O-CD 3.29Å; L4-K6 WeakPolarHBondContact O-CD 3.47Å; L4-K6 WeakPolarHBondContact O-CE 3.47Å; L4-K6 PolarHBondContact O-N 3.24Å; K6-L326 HydrophobicContact CG-CD1 4.17Å; K6-V337 WeakPolarHBondContact CA-O 3.33Å; K6-V337 WeakPolarHBondContact CB-O 3.25Å; K6-V337 PolarHBondContact N-O 2.81Å; K6-K339 HydrophobicContact CD-CG 4.43Å; K6-K339 HydrophobicContact CG-CG 4.23Å; K6-R565 VanDerWaalsContact C-NH2 3.31Å; K6-R565 PolarHBondContact O-NH2 2.78Å
7	F	80.8	Confident	83.2	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	135.9	175.9	173.7	-131.5	0	0	0	107.2	C9 W38 C43 F335 V336 V337	F7-C9 HydrophobicContact CE1-CB 3.82Å; F7-C9 HydrophobicContact CE2-CB 4.19Å; F7-C9 HydrophobicContact CZ-CB 3.57Å; F7-W38 HydrophobicContact CE1-CB 4.14Å; F7-W38 HydrophobicContact CE1-CD2 4.04Å; F7-W38 AromaticContact CE1-CE3 3.97Å; F7-W38 HydrophobicContact CE1-CE3 3.97Å; F7-W38 HydrophobicContact CE1-CG 4.14Å; F7-W38 HydrophobicContact CE2-CE3 4.25Å; F7-W38 HydrophobicContact CE2-CZ3 4.3Å; F7-W38 AromaticContact CZ-CD2 3.78Å; F7-W38 HydrophobicContact CZ-CD2 3.78Å; F7-W38 AromaticContact CZ-CE3 3.34Å; F7-W38 HydrophobicContact CZ-CE3 3.34Å; F7-W38 HydrophobicContact CZ-CG 4.37Å; F7-W38 HydrophobicContact CZ-CH2 4.39Å; F7-W38 AromaticContact CZ-CZ3 3.69Å; F7-W38 HydrophobicContact CZ-CZ3 3.69Å; F7-C43 HydrophobicContact CD2-CB 3.52Å; F7-C43 HydrophobicContact CE2-CB 3.78Å; F7-C43 HydrophobicContact CG-CB 4.4Å; F7-F335 HydrophobicContact CD1-CE2 4.13Å; F7-F335 HydrophobicContact CD1-CZ 4.29Å; F7-F335 HydrophobicContact CE1-CE1 4.44Å; F7-F335 AromaticContact CE1-CE2 3.96Å; F7-F335 HydrophobicContact CE1-CE2 3.96Å; F7-F335 AromaticContact CE1-CZ 3.66Å; F7-F335 HydrophobicContact CE1-CZ 3.66Å; F7-V336 WeakPolarHBondContact O-CG2 3.48Å; F7-V337 HydrophobicContact CB-CB 4.2Å; F7-V337 HydrophobicContact CB-CG2 4.49Å; F7-V337 HydrophobicContact CD1-CG2 4.16Å; F7-V337 PolarHBondContact N-O 2.66Å; F7-V337 PolarHBondContact O-N 2.88Å
8	D	85.8	Confident	84	Confident	75 Å²	75	40.6 Å²	40.6	40%	0.401	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	112.9	177.9	-171	30.4	0	0	0	105.4	R310 V336	D8-R310 IonicContact OD1-CZ 2.81Å; D8-R310 IonicContact OD1-NH1 3.85Å; D8-R310 PolarHBondContact OD1-NH1 2.65Å; D8-R310 IonicContact OD1-NH2 3.96Å; D8-R310 PolarHBondContact OD1-NH2 3.2Å; D8-R310 IonicContact OD2-CZ 3.45Å; D8-R310 IonicContact OD2-NH1 3.41Å; D8-R310 IonicContact OD2-NH2 2.7Å; D8-R310 PolarHBondContact OD2-NH2 3.27Å; D8-V336 HydrophobicContact CB-CG2 4.22Å
9	C	88.8	Confident	84.6	Confident	5 Å²	5	39 Å²	39	3%	0.034	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.9	-169.7	-175.7	0	0	0	0	109.2	F7 W38 G334 F335	F7-C9 HydrophobicContact CE1-CB 3.82Å; F7-C9 HydrophobicContact CE2-CB 4.19Å; F7-C9 HydrophobicContact CZ-CB 3.57Å; C9-W38 WeakPolarHBondContact SG-CZ2 3.4Å; C9-G334 WeakPolarHBondContact O-CA 3.46Å; C9-F335 HydrophobicContact CB-CD1 3.69Å; C9-F335 HydrophobicContact CB-CE1 3.54Å; C9-F335 HydrophobicContact CB-CG 4.29Å; C9-F335 HydrophobicContact CB-CZ 4.04Å; C9-F335 PolarHBondContact N-O 3.4Å; C9-F335 PolarHBondContact O-N 3.23Å
10	K	89.3	Confident	85.1	Confident	183 Å²	183	37.6 Å²	37.6	80%	0.796	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.4	171.8	-67.5	-170.4	175.7	-171	0	109.8	T333	K10-T333 WeakPolarHBondContact CA-O 3.48Å
11	S	90.7	Very high	85.2	Confident	29 Å²	29	37.5 Å²	37.5	20%	0.203	19%	0.193	C	C	.	.			trans	-153.7	-175.6	176.6	63	0	0	0	0	110.1	T333 G334	S11-T333 PolarHBondContact N-O 3.1Å; S11-T333 CarbonylContact O-C 3.52Å; S11-T333 VanDerWaalsContact O-C 3.23Å; S11-G334 VanDerWaalsContact OG-CA 3.31Å; S11-G334 WeakPolarHBondContact OG-CA 3.49Å
12	A	93	Very high	86.6	Confident	42 Å²	42	42.3 Å²	42.3	35%	0.347	21%	0.213	S	C	.	.	S	Bend	trans	-59.8	162.5	157	0	0	0	0	0	110.4	V14 L30 T32	A12-V14 PolarHBondContact O-N 3.01Å; A12-L30 HydrophobicContact CB-CD1 4.47Å; A12-T32 HydrophobicContact CB-CG2 3.75Å
13	R	96.4	Very high	88	Confident	68 Å²	68	48.1 Å²	48.1	26%	0.257	23%	0.231	S	C	.	.			trans	-44.1	125.5	177.4	176.6	-171.5	-67.2	141	-0.3	111.7	H31 H331 D332	R13-H31 HydrophobicContact CB-CB 3.99Å; R13-H31 HydrophobicContact CG-CB 4.48Å; R13-H31 PolarHBondContact NH1-NE2 3.25Å; R13-H31 WeakPolarHBondContact O-CB 3.49Å; R13-H31 PolarHBondContact O-N 3.08Å; R13-H331 WeakPolarHBondContact CA-O 3.26Å; R13-D332 VanDerWaalsContact CA-O 3.3Å; R13-D332 WeakPolarHBondContact CA-O 3.15Å; R13-D332 IonicContact CZ-OD1 2.98Å; R13-D332 PolarHBondContact N-O 3.12Å; R13-D332 IonicContact NE-OD1 3.55Å; R13-D332 PolarHBondContact NE-OD1 3Å; R13-D332 IonicContact NH2-OD1 3.66Å; R13-D332 PolarHBondContact NH2-OD1 3.35Å
14	V	97.5	Very high	89.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.2	174	175.2	0	0	0	0	109.5	A12 G16 L17 S29 L30 V317 H331 G334 F335	A12-V14 PolarHBondContact O-N 3.01Å; V14-G16 WeakPolarHBondContact CG1-O 3.22Å; V14-L17 HydrophobicContact CG1-CD1 4.45Å; V14-L17 HydrophobicContact CG1-CD2 3.89Å; V14-L17 HydrophobicContact CG1-CG 3.83Å; V14-S29 WeakPolarHBondContact CA-O 3.43Å; V14-L30 HydrophobicContact CG2-CD2 3.62Å; V14-V317 HydrophobicContact CG1-CG1 4.32Å; V14-H331 PolarHBondContact N-O 3.06Å; V14-G334 WeakPolarHBondContact CB-O 3.33Å; V14-G334 VanDerWaalsContact CG2-O 3.27Å; V14-G334 WeakPolarHBondContact CG2-O 3.34Å; V14-F335 HydrophobicContact CB-CB 4.45Å; V14-F335 HydrophobicContact CG1-CB 4.47Å; V14-F335 HydrophobicContact CG2-CB 4.05Å; V14-F335 HydrophobicContact CG2-CD1 3.95Å; V14-F335 HydrophobicContact CG2-CG 4.44Å
15	K	96.8	Very high	90.3	Very high	37 Å²	37	46.8 Å²	46.8	16%	0.161	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-16.2	179.2	-80.5	-57	-159	-177.4	0	114.6	S29 R57 W316	K15-S29 PolarHBondContact N-O 2.93Å; K15-R57 HydrophobicContact CB-CG 4.36Å; K15-W316 HydrophobicContact CD-CB 4.28Å; K15-W316 HydrophobicContact CD-CG 4.4Å; K15-W316 VanDerWaalsContact NZ-CD2 3.29Å
16	G	96.8	Very high	91.4	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.3	172.7	0	0	0	0	0	111.7	V14 S28 S29 R57	V14-G16 WeakPolarHBondContact CG1-O 3.22Å; G16-S28 WeakPolarHBondContact O-CA 3.25Å; G16-S29 WeakPolarHBondContact CA-OG 3.39Å; G16-S29 PolarHBondContact N-O 3.33Å; G16-S29 PolarHBondContact N-OG 3.46Å; G16-S29 PolarHBondContact O-N 3.03Å; G16-S29 PolarHBondContact O-OG 3.4Å; G16-R57 WeakPolarHBondContact CA-O 3.42Å
17	L	97.7	Very high	92.4	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.3	178.9	-75.2	171.8	0	0	0	110	V14 I26 L27 V317 N319 A328 G330 F335	V14-L17 HydrophobicContact CG1-CD1 4.45Å; V14-L17 HydrophobicContact CG1-CD2 3.89Å; V14-L17 HydrophobicContact CG1-CG 3.83Å; L17-I26 HydrophobicContact CD2-CD1 3.92Å; L17-I26 HydrophobicContact CD2-CG1 4.35Å; L17-L27 WeakPolarHBondContact CA-O 3.43Å; L17-V317 HydrophobicContact CB-CG2 4.49Å; L17-V317 HydrophobicContact CD1-CG1 4.17Å; L17-V317 HydrophobicContact CG-CG1 4.22Å; L17-N319 HydrophobicContact CB-CB 4.04Å; L17-N319 PolarHBondContact O-ND2 3.29Å; L17-A328 HydrophobicContact CD1-CB 3.83Å; L17-G330 VanDerWaalsContact CD1-N 3.29Å; L17-F335 HydrophobicContact CD1-CB 4.36Å; L17-F335 HydrophobicContact CD2-CB 4.18Å; L17-F335 HydrophobicContact CD2-CD1 4.5Å; L17-F335 HydrophobicContact CD2-CD2 3.85Å; L17-F335 HydrophobicContact CD2-CE2 4.31Å; L17-F335 HydrophobicContact CD2-CG 3.95Å
18	A	97.5	Very high	93.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.1	174.9	0	0	0	0	0	111.9	I26 L27 I59 F61	A18-I26 WeakPolarHBondContact O-CA 3.39Å; A18-I26 WeakPolarHBondContact O-CG1 3.34Å; A18-L27 HydrophobicContact CB-CB 4.44Å; A18-L27 PolarHBondContact N-O 2.9Å; A18-L27 PolarHBondContact O-N 3.34Å; A18-I59 HydrophobicContact CB-CG2 4.37Å; A18-F61 HydrophobicContact CB-CD2 4.1Å; A18-F61 WeakPolarHBondContact O-CE2 3.45Å
19	F	96.4	Very high	93.8	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.044	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	134	172.4	-80.5	-68.8	0	0	0	111.3	I26 Y40 N319 H321 L326 A328 V337	F19-I26 HydrophobicContact CD1-CB 4.07Å; F19-I26 HydrophobicContact CD1-CD1 4.07Å; F19-I26 HydrophobicContact CD1-CG1 4.14Å; F19-I26 HydrophobicContact CE1-CB 4.26Å; F19-I26 HydrophobicContact CE1-CD1 3.78Å; F19-I26 HydrophobicContact CE1-CG1 4.3Å; F19-I26 HydrophobicContact CE2-CD1 4.39Å; F19-I26 HydrophobicContact CZ-CD1 3.96Å; F19-Y40 HydrophobicContact CD1-CD1 4.15Å; F19-Y40 AromaticContact CD1-CE1 3.67Å; F19-Y40 HydrophobicContact CD1-CE1 3.67Å; F19-Y40 AromaticContact CE1-CD1 3.88Å; F19-Y40 HydrophobicContact CE1-CD1 3.88Å; F19-Y40 AromaticContact CE1-CE1 3.7Å; F19-Y40 HydrophobicContact CE1-CE1 3.7Å; F19-N319 HydrophobicContact CD2-CB 4.46Å; F19-H321 HydrophobicContact CB-CB 4.47Å; F19-H321 HydrophobicContact CD1-CB 4.34Å; F19-H321 AromaticContact CD1-CD2 3.74Å; F19-H321 HydrophobicContact CD2-CB 3.76Å; F19-H321 HydrophobicContact CE2-CB 3.95Å; F19-H321 HydrophobicContact CG-CB 3.96Å; F19-H321 AromaticContact CG-CD2 3.82Å; F19-H321 HydrophobicContact CZ-CB 4.32Å; F19-L326 HydrophobicContact CD1-CD2 4.4Å; F19-L326 HydrophobicContact CE1-CD2 3.6Å; F19-L326 HydrophobicContact CE1-CG 4.22Å; F19-L326 HydrophobicContact CZ-CD2 3.86Å; F19-L326 HydrophobicContact CZ-CG 3.96Å; F19-A328 HydrophobicContact CE2-CB 3.82Å; F19-A328 HydrophobicContact CZ-CB 3.72Å; F19-V337 HydrophobicContact CE1-CG1 4.31Å; F19-V337 HydrophobicContact CZ-CG1 4.11Å
20	H	95.1	Very high	94.2	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.051	18%	0.178	C	C	.	.			trans	-68.6	131	170.5	-174.3	-54.1	0	0	0	109.4	K22 R23 W25 F61 Y82	H20-K22 PolarHBondContact ND1-N 3.29Å; H20-K22 VanDerWaalsContact ND1-N 3.12Å; H20-K22 PolarHBondContact O-N 3.13Å; H20-R23 HydrophobicContact CB-CB 4.34Å; H20-R23 PolarHBondContact ND1-N 2.83Å; H20-W25 HydrophobicContact CB-CB 3.94Å; H20-W25 AromaticContact CD2-CE3 3.91Å; H20-W25 PolarHBondContact N-O 3.18Å; H20-F61 HydrophobicContact CB-CD2 3.94Å; H20-F61 HydrophobicContact CB-CE1 4.28Å; H20-F61 HydrophobicContact CB-CE2 3.63Å; H20-F61 HydrophobicContact CB-CG 4.36Å; H20-F61 HydrophobicContact CB-CZ 3.8Å; H20-F61 AromaticContact CD2-CD1 3.88Å; H20-F61 AromaticContact CD2-CE1 3.6Å; H20-F61 AromaticContact CD2-CZ 3.93Å; H20-Y82 AromaticContact NE2-CZ 3.72Å; H20-Y82 PolarHBondContact NE2-OH 2.83Å; H20-Y82 VanDerWaalsContact NE2-OH 3.07Å
21	P	87.2	Confident	94.5	Very high	35 Å²	35	33.1 Å²	33.1	23%	0.227	16%	0.156	C	C	.	.	S	Bend	trans	-65.9	-28.5	-171.4	22.9	-35.6	0	0	0	116
22	K	85.2	Confident	94.7	Very high	148 Å²	148	35.4 Å²	35.4	64%	0.643	17%	0.169	S	C	*	.	S	Bend	trans	-117.3	-35.6	-177.3	-57.2	172.6	-169.2	167.8	0	115	H20 N64	H20-K22 PolarHBondContact ND1-N 3.29Å; H20-K22 VanDerWaalsContact ND1-N 3.12Å; H20-K22 PolarHBondContact O-N 3.13Å; K22-N64 PolarHBondContact NZ-OD1 3.38Å
23	R	88.9	Confident	94.8	Very high	151 Å²	151	33.5 Å²	33.5	57%	0.57	15%	0.154	S	C	*	.	S	Bend	trans	-89.2	155.1	179.5	-66	-61.3	-173.9	-159.3	1.8	111.3	H20 W25	H20-R23 HydrophobicContact CB-CB 4.34Å; H20-R23 PolarHBondContact ND1-N 2.83Å; R23-W25 HydrophobicContact CB-CB 4.42Å; R23-W25 HydrophobicContact CB-CD2 3.61Å; R23-W25 HydrophobicContact CB-CE3 3.91Å; R23-W25 HydrophobicContact CB-CG 3.84Å; R23-W25 HydrophobicContact CB-CZ3 4.49Å; R23-W25 HydrophobicContact CG-CD2 4.17Å; R23-W25 HydrophobicContact CG-CE3 4.13Å; R23-W25 HydrophobicContact CG-CH2 4.34Å; R23-W25 HydrophobicContact CG-CZ2 4.36Å; R23-W25 HydrophobicContact CG-CZ3 4.22Å; R23-W25 PolarHBondContact O-N 3.48Å
24	P	89.1	Confident	94.8	Very high	24 Å²	24	32.1 Å²	32.1	16%	0.156	15%	0.151	C	C	.	.	S	Bend	trans	-74.8	41.2	176.8	34	-38.3	0	0	0	113.6	D39 Y40 R41	P24-D39 WeakPolarHBondContact CG-OD2 3.14Å; P24-Y40 HydrophobicContact CB-CE2 4.36Å; P24-Y40 WeakPolarHBondContact O-CD1 3.17Å; P24-Y40 VanDerWaalsContact O-CE1 3.27Å; P24-Y40 WeakPolarHBondContact O-CE1 3.3Å; P24-Y40 PolarHBondContact O-N 2.98Å; P24-Y40 VanDerWaalsContact O-N 3.11Å; P24-R41 HydrophobicContact CB-CB 4.34Å; P24-R41 HydrophobicContact CB-CG 3.66Å
25	W	94.2	Very high	94.9	Very high	53 Å²	53	32.1 Å²	32.1	20%	0.201	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153.5	-171	-55.5	-19	0	0	0	112	H20 R23 L37 W38 I46 Y82	H20-W25 HydrophobicContact CB-CB 3.94Å; H20-W25 AromaticContact CD2-CE3 3.91Å; H20-W25 PolarHBondContact N-O 3.18Å; R23-W25 HydrophobicContact CB-CB 4.42Å; R23-W25 HydrophobicContact CB-CD2 3.61Å; R23-W25 HydrophobicContact CB-CE3 3.91Å; R23-W25 HydrophobicContact CB-CG 3.84Å; R23-W25 HydrophobicContact CB-CZ3 4.49Å; R23-W25 HydrophobicContact CG-CD2 4.17Å; R23-W25 HydrophobicContact CG-CE3 4.13Å; R23-W25 HydrophobicContact CG-CH2 4.34Å; R23-W25 HydrophobicContact CG-CZ2 4.36Å; R23-W25 HydrophobicContact CG-CZ3 4.22Å; R23-W25 PolarHBondContact O-N 3.48Å; W25-L37 HydrophobicContact CB-CD1 3.98Å; W25-L37 HydrophobicContact CE3-CD1 4.37Å; W25-L37 HydrophobicContact CE3-CD2 4.39Å; W25-W38 CarbonylContact C-O 3.45Å; W25-W38 VanDerWaalsContact CA-O 3.23Å; W25-W38 WeakPolarHBondContact CA-O 3.39Å; W25-I46 HydrophobicContact CD2-CD1 3.86Å; W25-I46 HydrophobicContact CG-CD1 3.88Å; W25-I46 HydrophobicContact CZ2-CD1 4.14Å; W25-Y82 AromaticContact CZ3-CD2 3.99Å; W25-Y82 HydrophobicContact CZ3-CD2 3.99Å; W25-Y82 AromaticContact CZ3-CE2 3.77Å; W25-Y82 HydrophobicContact CZ3-CE2 3.77Å
26	I	96.8	Very high	94.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136	172.7	-170.4	172	0	0	0	109.2	L17 A18 F19 W38 Y40 A328 F335 V337	L17-I26 HydrophobicContact CD2-CD1 3.92Å; L17-I26 HydrophobicContact CD2-CG1 4.35Å; A18-I26 WeakPolarHBondContact O-CA 3.39Å; A18-I26 WeakPolarHBondContact O-CG1 3.34Å; F19-I26 HydrophobicContact CD1-CB 4.07Å; F19-I26 HydrophobicContact CD1-CD1 4.07Å; F19-I26 HydrophobicContact CD1-CG1 4.14Å; F19-I26 HydrophobicContact CE1-CB 4.26Å; F19-I26 HydrophobicContact CE1-CD1 3.78Å; F19-I26 HydrophobicContact CE1-CG1 4.3Å; F19-I26 HydrophobicContact CE2-CD1 4.39Å; F19-I26 HydrophobicContact CZ-CD1 3.96Å; I26-W38 HydrophobicContact CG2-CB 3.98Å; I26-W38 PolarHBondContact N-O 3.31Å; I26-W38 PolarHBondContact O-N 2.9Å; I26-Y40 HydrophobicContact CB-CD1 4.15Å; I26-Y40 HydrophobicContact CG2-CD1 4.17Å; I26-A328 HydrophobicContact CD1-CB 3.35Å; I26-F335 HydrophobicContact CD1-CD2 4.42Å; I26-F335 HydrophobicContact CD1-CE2 4.03Å; I26-F335 HydrophobicContact CG2-CE2 3.82Å; I26-F335 HydrophobicContact CG2-CZ 4Å; I26-V337 HydrophobicContact CD1-CG2 4.13Å
27	L	97.6	Very high	94.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.8	165.6	-75.2	163.6	0	0	0	109	L17 A18 I35 Q36 L37 I59 F61 F68	L17-L27 WeakPolarHBondContact CA-O 3.43Å; A18-L27 HydrophobicContact CB-CB 4.44Å; A18-L27 PolarHBondContact N-O 2.9Å; A18-L27 PolarHBondContact O-N 3.34Å; L27-I35 HydrophobicContact CD2-CG2 3.78Å; L27-Q36 WeakPolarHBondContact CA-O 3.49Å; L27-L37 HydrophobicContact CD2-CB 3.94Å; L27-L37 HydrophobicContact CD2-CD1 3.91Å; L27-L37 HydrophobicContact CG-CD1 4.09Å; L27-I59 HydrophobicContact CB-CD1 3.73Å; L27-I59 HydrophobicContact CB-CG1 4.18Å; L27-I59 HydrophobicContact CD1-CD1 4.05Å; L27-I59 HydrophobicContact CD1-CG1 4.08Å; L27-I59 HydrophobicContact CD2-CD1 4.4Å; L27-I59 HydrophobicContact CG-CD1 4.27Å; L27-F61 HydrophobicContact CB-CE2 4.14Å; L27-F61 HydrophobicContact CD1-CD1 4.1Å; L27-F61 HydrophobicContact CD1-CD2 3.83Å; L27-F61 HydrophobicContact CD1-CE1 3.74Å; L27-F61 HydrophobicContact CD1-CE2 3.45Å; L27-F61 VanDerWaalsContact CD1-CE2 3.45Å; L27-F61 HydrophobicContact CD1-CG 4.15Å; L27-F61 HydrophobicContact CD1-CZ 3.42Å; L27-F61 VanDerWaalsContact CD1-CZ 3.42Å; L27-F61 HydrophobicContact CD2-CZ 4.43Å; L27-F61 HydrophobicContact CG-CD2 4.34Å; L27-F61 HydrophobicContact CG-CE1 4.27Å; L27-F61 HydrophobicContact CG-CE2 3.53Å; L27-F61 HydrophobicContact CG-CZ 3.5Å; L27-F61 VanDerWaalsContact CG-CZ 3.5Å; L27-F68 HydrophobicContact CD1-CB 3.57Å; L27-F68 HydrophobicContact CD1-CD1 3.93Å; L27-F68 HydrophobicContact CD1-CD2 3.76Å; L27-F68 HydrophobicContact CD1-CE2 4.4Å; L27-F68 HydrophobicContact CD1-CG 3.5Å; L27-F68 VanDerWaalsContact CD1-CG 3.5Å; L27-F68 HydrophobicContact CD2-CD1 4.43Å; L27-F68 HydrophobicContact CD2-CE1 4.29Å; L27-F68 HydrophobicContact CD2-CE2 4.5Å; L27-F68 HydrophobicContact CD2-CZ 4.33Å
28	S	97.7	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.9	168.9	59.1	0	0	0	0	109.4	G16 Q36 F335	G16-S28 WeakPolarHBondContact O-CA 3.25Å; S28-Q36 PolarHBondContact N-O 3.02Å; S28-Q36 PolarHBondContact O-N 3.23Å; S28-F335 VanDerWaalsContact CB-CE1 3.5Å; S28-F335 WeakPolarHBondContact OG-CE1 3.32Å
29	S	97.3	Very high	94.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133.5	175.9	62.5	0	0	0	0	110.9	V14 K15 G16 V56	V14-S29 WeakPolarHBondContact CA-O 3.43Å; K15-S29 PolarHBondContact N-O 2.93Å; G16-S29 WeakPolarHBondContact CA-OG 3.39Å; G16-S29 PolarHBondContact N-O 3.33Å; G16-S29 PolarHBondContact N-OG 3.46Å; G16-S29 PolarHBondContact O-N 3.03Å; G16-S29 PolarHBondContact O-OG 3.4Å; S29-V56 VanDerWaalsContact CB-O 3.3Å; S29-V56 WeakPolarHBondContact CB-O 3.36Å; S29-V56 PolarHBondContact OG-O 3.49Å
30	L	97.1	Very high	94	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	157.4	-171.1	-53.6	-170.3	0	0	0	112.4	A12 V14 T32 G33 I34 Q36 V56	A12-L30 HydrophobicContact CB-CD1 4.47Å; V14-L30 HydrophobicContact CG2-CD2 3.62Å; L30-T32 PolarHBondContact O-N 2.95Å; L30-T32 VanDerWaalsContact O-N 3.09Å; L30-G33 PolarHBondContact O-N 3.39Å; L30-G33 VanDerWaalsContact O-N 3.13Å; L30-I34 VanDerWaalsContact CB-O 3.28Å; L30-I34 WeakPolarHBondContact CB-O 3.47Å; L30-I34 HydrophobicContact CD1-CB 4.41Å; L30-I34 WeakPolarHBondContact CG-O 3.49Å; L30-I34 PolarHBondContact N-O 3.32Å; L30-Q36 HydrophobicContact CD1-CG 4.33Å; L30-V56 PolarHBondContact O-N 3.15Å
31	H	95.6	Very high	93.3	Very high	74 Å²	74	36.7 Å²	36.7	34%	0.343	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-6.5	169.4	-161.8	-76.8	0	0	0	113.9	R13	R13-H31 HydrophobicContact CB-CB 3.99Å; R13-H31 HydrophobicContact CG-CB 4.48Å; R13-H31 PolarHBondContact NH1-NE2 3.25Å; R13-H31 WeakPolarHBondContact O-CB 3.49Å; R13-H31 PolarHBondContact O-N 3.08Å
32	T	95.5	Very high	92.8	Very high	78 Å²	78	36.8 Å²	36.8	48%	0.479	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	4.6	175.1	60.9	0	0	0	0	113.3	A12 L30 I34	A12-T32 HydrophobicContact CB-CG2 3.75Å; L30-T32 PolarHBondContact O-N 2.95Å; L30-T32 VanDerWaalsContact O-N 3.09Å; T32-I34 PolarHBondContact O-N 3.03Å
33	G	95	Very high	92.6	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	78	-8.6	-174.9	0	0	0	0	0	115.6	L30 G54	L30-G33 PolarHBondContact O-N 3.39Å; L30-G33 VanDerWaalsContact O-N 3.13Å; G33-G54 WeakPolarHBondContact CA-O 3.38Å; G33-G54 PolarHBondContact N-O 3.36Å
34	I	97	Very high	92.6	Very high	38 Å²	38	28 Å²	28	20%	0.195	15%	0.147	C	C	.	.			trans	-75.9	134.3	173.2	-56	176.9	0	0	0	109.2	L30 T32 Q36 K48 E50	L30-I34 VanDerWaalsContact CB-O 3.28Å; L30-I34 WeakPolarHBondContact CB-O 3.47Å; L30-I34 HydrophobicContact CD1-CB 4.41Å; L30-I34 WeakPolarHBondContact CG-O 3.49Å; L30-I34 PolarHBondContact N-O 3.32Å; T32-I34 PolarHBondContact O-N 3.03Å; I34-Q36 HydrophobicContact CG2-CG 4.06Å; I34-K48 HydrophobicContact CG2-CB 4.33Å; I34-K48 HydrophobicContact CG2-CD 4.4Å; I34-K48 HydrophobicContact CG2-CG 4.46Å; I34-E50 HydrophobicContact CG1-CG 4.1Å; I34-E50 HydrophobicContact CG2-CG 4.1Å
35	I	97.8	Very high	92.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.4	170.2	-62.7	164.5	0	0	0	107.9	L27 K48 F49 V56 I59 F68 S70 W80	L27-I35 HydrophobicContact CD2-CG2 3.78Å; I35-K48 CarbonylContact O-C 3.41Å; I35-K48 WeakPolarHBondContact O-CA 3.36Å; I35-F49 HydrophobicContact CB-CB 4.2Å; I35-F49 HydrophobicContact CG2-CD2 4.37Å; I35-F49 PolarHBondContact N-O 2.92Å; I35-F49 PolarHBondContact O-N 3.22Å; I35-V56 HydrophobicContact CD1-CG1 4.03Å; I35-V56 HydrophobicContact CG1-CB 4.45Å; I35-V56 HydrophobicContact CG1-CG1 4.09Å; I35-I59 HydrophobicContact CB-CD1 4.43Å; I35-I59 HydrophobicContact CD1-CD1 4.25Å; I35-I59 HydrophobicContact CG1-CD1 4.2Å; I35-I59 HydrophobicContact CG2-CD1 3.42Å; I35-I59 VanDerWaalsContact CG2-CD1 3.42Å; I35-F68 HydrophobicContact CD1-CE2 4.06Å; I35-F68 HydrophobicContact CG2-CE2 4.02Å; I35-F68 HydrophobicContact CG2-CZ 4.2Å; I35-S70 WeakPolarHBondContact CD1-OG 3.25Å; I35-W80 HydrophobicContact CD1-CZ2 4.46Å
36	Q	96.9	Very high	92.7	Very high	22 Å²	22	30.4 Å²	30.4	10%	0.103	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.6	-178.6	-60	-174.4	-11.3	0	0	111.2	L27 S28 L30 I34 L45	L27-Q36 WeakPolarHBondContact CA-O 3.49Å; S28-Q36 PolarHBondContact N-O 3.02Å; S28-Q36 PolarHBondContact O-N 3.23Å; L30-Q36 HydrophobicContact CD1-CG 4.33Å; I34-Q36 HydrophobicContact CG2-CG 4.06Å; Q36-L45 HydrophobicContact CB-CD1 3.85Å; Q36-L45 HydrophobicContact CG-CD1 4.31Å
37	L	97.2	Very high	92.7	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.5	175	177.4	64.6	0	0	0	109.7	W25 L27 I46 E47 F49 F61	W25-L37 HydrophobicContact CB-CD1 3.98Å; W25-L37 HydrophobicContact CE3-CD1 4.37Å; W25-L37 HydrophobicContact CE3-CD2 4.39Å; L27-L37 HydrophobicContact CD2-CB 3.94Å; L27-L37 HydrophobicContact CD2-CD1 3.91Å; L27-L37 HydrophobicContact CG-CD1 4.09Å; L37-I46 HydrophobicContact CD2-CB 4.25Å; L37-I46 HydrophobicContact CD2-CD1 4.4Å; L37-I46 HydrophobicContact CD2-CG2 4.22Å; L37-I46 HydrophobicContact CG-CB 4.14Å; L37-I46 HydrophobicContact CG-CD1 4.15Å; L37-I46 WeakPolarHBondContact O-CB 3.36Å; L37-I46 PolarHBondContact O-N 3.47Å; L37-E47 HydrophobicContact CB-CB 4.22Å; L37-E47 HydrophobicContact CD2-CB 4.46Å; L37-E47 PolarHBondContact N-O 3.16Å; L37-E47 PolarHBondContact O-N 3.01Å; L37-F49 HydrophobicContact CB-CE2 3.97Å; L37-F49 HydrophobicContact CD2-CE2 4.39Å; L37-F61 HydrophobicContact CD1-CZ 3.79Å
38	W	95.7	Very high	92.6	Very high	36 Å²	36	37.3 Å²	37.3	14%	0.136	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.7	-174.8	-71.6	91.5	0	0	0	112.2	F7 C9 W25 I26 L45 F335	F7-W38 HydrophobicContact CE1-CB 4.14Å; F7-W38 HydrophobicContact CE1-CD2 4.04Å; F7-W38 AromaticContact CE1-CE3 3.97Å; F7-W38 HydrophobicContact CE1-CE3 3.97Å; F7-W38 HydrophobicContact CE1-CG 4.14Å; F7-W38 HydrophobicContact CE2-CE3 4.25Å; F7-W38 HydrophobicContact CE2-CZ3 4.3Å; F7-W38 AromaticContact CZ-CD2 3.78Å; F7-W38 HydrophobicContact CZ-CD2 3.78Å; F7-W38 AromaticContact CZ-CE3 3.34Å; F7-W38 HydrophobicContact CZ-CE3 3.34Å; F7-W38 HydrophobicContact CZ-CG 4.37Å; F7-W38 HydrophobicContact CZ-CH2 4.39Å; F7-W38 AromaticContact CZ-CZ3 3.69Å; F7-W38 HydrophobicContact CZ-CZ3 3.69Å; C9-W38 WeakPolarHBondContact SG-CZ2 3.4Å; W25-W38 CarbonylContact C-O 3.45Å; W25-W38 VanDerWaalsContact CA-O 3.23Å; W25-W38 WeakPolarHBondContact CA-O 3.39Å; I26-W38 HydrophobicContact CG2-CB 3.98Å; I26-W38 PolarHBondContact N-O 3.31Å; I26-W38 PolarHBondContact O-N 2.9Å; W38-L45 HydrophobicContact CD2-CB 4.23Å; W38-L45 HydrophobicContact CD2-CD1 4.03Å; W38-L45 HydrophobicContact CE3-CB 3.97Å; W38-L45 HydrophobicContact CG-CD1 4.38Å; W38-L45 HydrophobicContact CH2-CB 3.87Å; W38-L45 HydrophobicContact CZ2-CB 4.12Å; W38-L45 HydrophobicContact CZ2-CD1 3.95Å; W38-L45 HydrophobicContact CZ2-CG 4.5Å; W38-L45 HydrophobicContact CZ3-CB 3.79Å; W38-L45 VanDerWaalsContact CZ3-N 3.27Å; W38-F335 HydrophobicContact CB-CZ 4.42Å; W38-F335 AromaticContact CD1-CE1 3.91Å; W38-F335 AromaticContact CD1-CZ 3.79Å; W38-F335 HydrophobicContact CG-CZ 4.09Å; W38-F335 AromaticContact NE1-CE1 3.97Å
39	D	90.9	Very high	92.6	Very high	22 Å²	22	37.5 Å²	37.5	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	113.8	160.9	-171.2	-55.8	0	0	0	109.5	P24 R41 S42 C43 T44 I46	P24-D39 WeakPolarHBondContact CG-OD2 3.14Å; D39-R41 VanDerWaalsContact C-N 3.34Å; D39-R41 WeakPolarHBondContact OD1-CA 3.05Å; D39-R41 WeakPolarHBondContact OD1-CB 3.28Å; D39-R41 PolarHBondContact OD1-N 3.46Å; D39-S42 VanDerWaalsContact CB-OG 3.32Å; D39-S42 WeakPolarHBondContact CB-OG 3.41Å; D39-S42 VanDerWaalsContact CG-OG 3.28Å; D39-S42 PolarHBondContact OD1-N 2.93Å; D39-S42 PolarHBondContact OD1-OG 2.86Å; D39-C43 VanDerWaalsContact O-CA 3.24Å; D39-C43 WeakPolarHBondContact O-CA 3.39Å; D39-C43 PolarHBondContact O-N 2.84Å; D39-T44 PolarHBondContact N-O 3.27Å; D39-T44 PolarHBondContact O-N 2.86Å; D39-I46 HydrophobicContact CB-CD1 4.12Å; D39-I46 HydrophobicContact CB-CG1 4.37Å
40	Y	86.5	Confident	92.4	Very high	18 Å²	18	42.9 Å²	42.9	7%	0.071	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.5	-176.8	64.1	-107.9	0	0	0	113.6	F19 P24 I26 H321 L326	F19-Y40 HydrophobicContact CD1-CD1 4.15Å; F19-Y40 AromaticContact CD1-CE1 3.67Å; F19-Y40 HydrophobicContact CD1-CE1 3.67Å; F19-Y40 AromaticContact CE1-CD1 3.88Å; F19-Y40 HydrophobicContact CE1-CD1 3.88Å; F19-Y40 AromaticContact CE1-CE1 3.7Å; F19-Y40 HydrophobicContact CE1-CE1 3.7Å; P24-Y40 HydrophobicContact CB-CE2 4.36Å; P24-Y40 WeakPolarHBondContact O-CD1 3.17Å; P24-Y40 VanDerWaalsContact O-CE1 3.27Å; P24-Y40 WeakPolarHBondContact O-CE1 3.3Å; P24-Y40 PolarHBondContact O-N 2.98Å; P24-Y40 VanDerWaalsContact O-N 3.11Å; I26-Y40 HydrophobicContact CB-CD1 4.15Å; I26-Y40 HydrophobicContact CG2-CD1 4.17Å; Y40-H321 PolarHBondContact OH-CD2 3.15Å; Y40-H321 PolarHBondContact OH-NE2 3.35Å; Y40-L326 HydrophobicContact CD2-CD2 4.02Å; Y40-L326 HydrophobicContact CE1-CD2 4.11Å; Y40-L326 HydrophobicContact CE2-CD2 3.4Å; Y40-L326 VanDerWaalsContact CZ-CD2 3.45Å
41	R	79.6	Confident	92.1	Very high	61 Å²	61	44.8 Å²	44.8	23%	0.23	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-42.9	172.2	-72.6	-175.2	-173	-160.9	9.8	111.5	P24 D39 S582 N583 E601	P24-R41 HydrophobicContact CB-CB 4.34Å; P24-R41 HydrophobicContact CB-CG 3.66Å; D39-R41 VanDerWaalsContact C-N 3.34Å; D39-R41 WeakPolarHBondContact OD1-CA 3.05Å; D39-R41 WeakPolarHBondContact OD1-CB 3.28Å; D39-R41 PolarHBondContact OD1-N 3.46Å; R41-S582 PolarHBondContact NH1-O 3.49Å; R41-N583 WeakPolarHBondContact CD-OD1 3.5Å; R41-N583 PolarHBondContact NH1-OD1 2.77Å; R41-E601 PolarHBondContact NH1-O 2.95Å; R41-E601 VanDerWaalsContact NH1-O 3.13Å; R41-E601 PolarHBondContact NH2-O 3.35Å
42	S	76.7	Confident	92.2	Very high	37 Å²	37	41.9 Å²	41.9	26%	0.259	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-16.6	174.3	51.1	0	0	0	0	113.6	D39 T44	D39-S42 VanDerWaalsContact CB-OG 3.32Å; D39-S42 WeakPolarHBondContact CB-OG 3.41Å; D39-S42 VanDerWaalsContact CG-OG 3.28Å; D39-S42 PolarHBondContact OD1-N 2.93Å; D39-S42 PolarHBondContact OD1-OG 2.86Å; S42-T44 PolarHBondContact OG-OG1 2.89Å
43	C	82.5	Confident	92.1	Very high	45 Å²	45	45.3 Å²	45.3	30%	0.304	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	38.2	-175.5	-50.9	0	0	0	0	112.9	F7 D39	F7-C43 HydrophobicContact CD2-CB 3.52Å; F7-C43 HydrophobicContact CE2-CB 3.78Å; F7-C43 HydrophobicContact CG-CB 4.4Å; D39-C43 VanDerWaalsContact O-CA 3.24Å; D39-C43 WeakPolarHBondContact O-CA 3.39Å; D39-C43 PolarHBondContact O-N 2.84Å
44	T	88.6	Confident	92.1	Very high	69 Å²	69	46.3 Å²	46.3	42%	0.423	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138	-174.9	51.9	0	0	0	0	111.8	D39 S42	D39-T44 PolarHBondContact N-O 3.27Å; D39-T44 PolarHBondContact O-N 2.86Å; S42-T44 PolarHBondContact OG-OG1 2.89Å
45	L	92.8	Very high	92.1	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.366	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.3	168.4	-177.2	67.3	0	0	0	108.6	Q36 W38 E47 K48	Q36-L45 HydrophobicContact CB-CD1 3.85Å; Q36-L45 HydrophobicContact CG-CD1 4.31Å; W38-L45 HydrophobicContact CD2-CB 4.23Å; W38-L45 HydrophobicContact CD2-CD1 4.03Å; W38-L45 HydrophobicContact CE3-CB 3.97Å; W38-L45 HydrophobicContact CG-CD1 4.38Å; W38-L45 HydrophobicContact CH2-CB 3.87Å; W38-L45 HydrophobicContact CZ2-CB 4.12Å; W38-L45 HydrophobicContact CZ2-CD1 3.95Å; W38-L45 HydrophobicContact CZ2-CG 4.5Å; W38-L45 HydrophobicContact CZ3-CB 3.79Å; W38-L45 VanDerWaalsContact CZ3-N 3.27Å; L45-E47 WeakPolarHBondContact CD1-O 3.48Å; L45-K48 HydrophobicContact CD2-CG 4.14Å
46	I	93.1	Very high	92.1	Very high	59 Å²	59	45.4 Å²	45.4	30%	0.303	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-51.2	175.4	-53.9	179.6	0	0	0	109.4	W25 L37 D39	W25-I46 HydrophobicContact CD2-CD1 3.86Å; W25-I46 HydrophobicContact CG-CD1 3.88Å; W25-I46 HydrophobicContact CZ2-CD1 4.14Å; L37-I46 HydrophobicContact CD2-CB 4.25Å; L37-I46 HydrophobicContact CD2-CD1 4.4Å; L37-I46 HydrophobicContact CD2-CG2 4.22Å; L37-I46 HydrophobicContact CG-CB 4.14Å; L37-I46 HydrophobicContact CG-CD1 4.15Å; L37-I46 WeakPolarHBondContact O-CB 3.36Å; L37-I46 PolarHBondContact O-N 3.47Å; D39-I46 HydrophobicContact CB-CD1 4.12Å; D39-I46 HydrophobicContact CB-CG1 4.37Å
47	E	95.3	Very high	92.1	Very high	35 Å²	35	47 Å²	47	16%	0.164	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	153.5	-171.4	-151.5	72.7	-132.8	0	0	111.4	L37 L45 F49 R85	L37-E47 HydrophobicContact CB-CB 4.22Å; L37-E47 HydrophobicContact CD2-CB 4.46Å; L37-E47 PolarHBondContact N-O 3.16Å; L37-E47 PolarHBondContact O-N 3.01Å; L45-E47 WeakPolarHBondContact CD1-O 3.48Å; E47-F49 HydrophobicContact CB-CD2 4.46Å; E47-F49 HydrophobicContact CB-CE2 3.73Å; E47-F49 HydrophobicContact CB-CZ 3.94Å; E47-F49 HydrophobicContact CG-CD2 4.48Å; E47-F49 HydrophobicContact CG-CE1 4.19Å; E47-F49 HydrophobicContact CG-CE2 3.91Å; E47-F49 HydrophobicContact CG-CZ 3.74Å; E47-R85 HydrophobicContact CG-CG 4.41Å; E47-R85 WeakPolarHBondContact OE1-CD 3.36Å; E47-R85 IonicContact OE1-CZ 2.7Å; E47-R85 IonicContact OE1-NE 2.71Å; E47-R85 IonicContact OE1-NH1 3.42Å; E47-R85 PolarHBondContact OE1-NH1 3.4Å; E47-R85 VanDerWaalsContact OE2-CD 3.27Å; E47-R85 WeakPolarHBondContact OE2-CD 3.34Å; E47-R85 IonicContact OE2-CZ 3.73Å; E47-R85 IonicContact OE2-NE 3.84Å; E47-R85 PolarHBondContact OE2-NE 3.01Å; E47-R85 VanDerWaalsContact OE2-NE 3.1Å; E47-R85 IonicContact OE2-NH1 2.66Å; E47-R85 PolarHBondContact OE2-NH1 3.41Å; E47-R85 IonicContact OE2-NH2 2.7Å
48	K	95.7	Very high	92	Very high	109 Å²	109	47 Å²	47	47%	0.474	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.1	159.9	-62.1	-177.9	-178.8	176.9	0	109.2	I34 I35 L45 E50	I34-K48 HydrophobicContact CG2-CB 4.33Å; I34-K48 HydrophobicContact CG2-CD 4.4Å; I34-K48 HydrophobicContact CG2-CG 4.46Å; I35-K48 CarbonylContact O-C 3.41Å; I35-K48 WeakPolarHBondContact O-CA 3.36Å; L45-K48 HydrophobicContact CD2-CG 4.14Å; K48-E50 HydrophobicContact CB-CG 4.4Å; K48-E50 WeakPolarHBondContact CD-OE1 3.17Å
49	F	97.1	Very high	92.1	Very high	5 Å²	5	45.6 Å²	45.6	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.4	170.3	-54.8	-94.9	0	0	0	107.7	I35 L37 E47 F68 W80	I35-F49 HydrophobicContact CB-CB 4.2Å; I35-F49 HydrophobicContact CG2-CD2 4.37Å; I35-F49 PolarHBondContact N-O 2.92Å; I35-F49 PolarHBondContact O-N 3.22Å; L37-F49 HydrophobicContact CB-CE2 3.97Å; L37-F49 HydrophobicContact CD2-CE2 4.39Å; E47-F49 HydrophobicContact CB-CD2 4.46Å; E47-F49 HydrophobicContact CB-CE2 3.73Å; E47-F49 HydrophobicContact CB-CZ 3.94Å; E47-F49 HydrophobicContact CG-CD2 4.48Å; E47-F49 HydrophobicContact CG-CE1 4.19Å; E47-F49 HydrophobicContact CG-CE2 3.91Å; E47-F49 HydrophobicContact CG-CZ 3.74Å; F49-F68 HydrophobicContact CB-CZ 4.19Å; F49-F68 HydrophobicContact CD1-CE1 4.1Å; F49-F68 AromaticContact CD1-CZ 3.96Å; F49-F68 HydrophobicContact CD1-CZ 3.96Å; F49-F68 AromaticContact CD2-CE1 3.93Å; F49-F68 HydrophobicContact CD2-CE1 3.93Å; F49-F68 AromaticContact CD2-CZ 3.65Å; F49-F68 HydrophobicContact CD2-CZ 3.65Å; F49-F68 AromaticContact CE1-CE1 3.88Å; F49-F68 HydrophobicContact CE1-CE1 3.88Å; F49-F68 HydrophobicContact CE1-CZ 4.22Å; F49-F68 AromaticContact CE2-CE1 3.72Å; F49-F68 HydrophobicContact CE2-CE1 3.72Å; F49-F68 AromaticContact CE2-CZ 3.96Å; F49-F68 HydrophobicContact CE2-CZ 3.96Å; F49-F68 HydrophobicContact CG-CE1 4.13Å; F49-F68 AromaticContact CG-CZ 3.66Å; F49-F68 HydrophobicContact CG-CZ 3.66Å; F49-F68 AromaticContact CZ-CE1 3.71Å; F49-F68 HydrophobicContact CZ-CE1 3.71Å; F49-F68 HydrophobicContact CZ-CZ 4.24Å; F49-W80 HydrophobicContact CB-CD2 4.41Å; F49-W80 HydrophobicContact CB-CE3 3.95Å; F49-W80 HydrophobicContact CB-CH2 4.18Å; F49-W80 HydrophobicContact CB-CZ3 3.84Å; F49-W80 HydrophobicContact CD1-CD2 4.42Å; F49-W80 AromaticContact CD1-CE3 3.74Å; F49-W80 HydrophobicContact CD1-CE3 3.74Å; F49-W80 HydrophobicContact CD1-CZ3 4.23Å; F49-W80 HydrophobicContact CG-CE3 4.24Å
50	E	94.8	Very high	92.5	Very high	113 Å²	113	46 Å²	46	53%	0.528	25%	0.246	S	C	.	.			trans	-127	145.2	-172.9	-55.8	-172.9	173.6	0	0	107.9	I34 K48 W80	I34-E50 HydrophobicContact CG1-CG 4.1Å; I34-E50 HydrophobicContact CG2-CG 4.1Å; K48-E50 HydrophobicContact CB-CG 4.4Å; K48-E50 WeakPolarHBondContact CD-OE1 3.17Å; E50-W80 WeakPolarHBondContact O-CH2 3.5Å
51	G	90.9	Very high	93	Very high	44 Å²	44	45.6 Å²	45.6	45%	0.454	24%	0.244	S	C	.	.			trans	133	14.2	-175.5	0	0	0	0	0	116.7	K78	G51-K78 WeakPolarHBondContact O-CE 3.46Å; G51-K78 PolarHBondContact O-NZ 2.79Å
52	H	96.6	Very high	93.8	Very high	13 Å²	13	44 Å²	44	6%	0.06	24%	0.239	C	C	.	.			trans	-99.5	145	155.5	-79.7	-85.4	0	0	0	109.7	G54 V56 S70 D74 K76 K78	H52-G54 PolarHBondContact O-N 2.9Å; H52-V56 HydrophobicContact CB-CG2 3.49Å; H52-V56 VanDerWaalsContact CB-CG2 3.49Å; H52-V56 WeakPolarHBondContact CD2-CG2 3.33Å; H52-V56 VanDerWaalsContact CG-CG2 3.42Å; H52-S70 PolarHBondContact NE2-OG 2.62Å; H52-D74 WeakPolarHBondContact CA-OD2 3.41Å; H52-D74 IonicContact CE1-OD1 2.83Å; H52-D74 IonicContact CG-OD1 3.6Å; H52-D74 IonicContact CG-OD2 3.69Å; H52-D74 IonicContact ND1-OD1 2.71Å; H52-D74 PolarHBondContact ND1-OD1 2.99Å; H52-D74 IonicContact ND1-OD2 3.11Å; H52-D74 PolarHBondContact ND1-OD2 3.38Å; H52-K76 PolarHBondContact CE1-O 3.48Å; H52-K76 VanDerWaalsContact CE1-O 3.28Å; H52-K78 WeakPolarHBondContact ND1-CE 3.46Å; H52-K78 WeakPolarHBondContact NE2-CD 3.33Å
53	E	94	Very high	94.5	Very high	150 Å²	150	44.2 Å²	44.2	70%	0.701	24%	0.243	S	C	*	.	S	Bend	trans	-100.4	69.9	-178.1	-70.1	152.8	-176.8	0	0	111.3	D74 K76	E53-D74 HydrophobicContact CB-CB 3.85Å; E53-D74 PolarHBondContact N-OD2 2.99Å; E53-K76 IonicContact OE1-NZ 3.72Å; E53-K76 IonicContact OE2-NZ 3.68Å; E53-K76 PolarHBondContact OE2-NZ 3.25Å
54	G	93.9	Very high	94.9	Very high	24 Å²	24	47.5 Å²	47.5	25%	0.247	26%	0.258	C	S	.	.	S	Bend	trans	129.5	-177	-177.6	0	0	0	0	0	112.9	G33 H52	G33-G54 WeakPolarHBondContact CA-O 3.38Å; G33-G54 PolarHBondContact N-O 3.36Å; H52-G54 PolarHBondContact O-N 2.9Å
55	P	97.3	Very high	95.1	Very high	18 Å²	18	49 Å²	49	12%	0.117	26%	0.26	C	S	.	.			trans	-52.9	139.2	-176.1	-25.9	32.5	0	0	0	113.9	G72 D73	P55-G72 CarbonylContact O-C 3.57Å; P55-G72 WeakPolarHBondContact O-CA 3.14Å; P55-D73 VanDerWaalsContact CB-OD2 3.31Å; P55-D73 WeakPolarHBondContact CB-OD2 3.38Å; P55-D73 WeakPolarHBondContact CD-OD2 3.47Å; P55-D73 VanDerWaalsContact CG-OD2 3.24Å; P55-D73 WeakPolarHBondContact CG-OD2 3.44Å; P55-D73 PolarHBondContact O-N 3.24Å
56	V	98.1	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.8	173.7	172.7	0	0	0	0	109.5	S29 L30 I35 H52	S29-V56 VanDerWaalsContact CB-O 3.3Å; S29-V56 WeakPolarHBondContact CB-O 3.36Å; S29-V56 PolarHBondContact OG-O 3.49Å; L30-V56 PolarHBondContact O-N 3.15Å; I35-V56 HydrophobicContact CD1-CG1 4.03Å; I35-V56 HydrophobicContact CG1-CB 4.45Å; I35-V56 HydrophobicContact CG1-CG1 4.09Å; H52-V56 HydrophobicContact CB-CG2 3.49Å; H52-V56 VanDerWaalsContact CB-CG2 3.49Å; H52-V56 WeakPolarHBondContact CD2-CG2 3.33Å; H52-V56 VanDerWaalsContact CG-CG2 3.42Å
57	R	97.3	Very high	95.4	Very high	56 Å²	56	44.4 Å²	44.4	21%	0.211	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-54	-170	-52.5	-179.6	-172	-129.8	0.8	111.3	K15 G16 G71 D73 R99	K15-R57 HydrophobicContact CB-CG 4.36Å; G16-R57 WeakPolarHBondContact CA-O 3.42Å; R57-G71 PolarHBondContact N-O 2.84Å; R57-D73 IonicContact CZ-OD1 2.74Å; R57-D73 IonicContact CZ-OD2 2.92Å; R57-D73 IonicContact NE-OD1 3.67Å; R57-D73 PolarHBondContact NE-OD1 2.85Å; R57-D73 IonicContact NE-OD2 3.36Å; R57-D73 PolarHBondContact NE-OD2 2.94Å; R57-D73 IonicContact NH2-OD1 3.98Å; R57-D73 PolarHBondContact NH2-OD1 2.85Å; R57-D73 IonicContact NH2-OD2 2.6Å; R57-D73 PolarHBondContact NH2-OD2 2.93Å; R57-R99 CarbonylContact C-O 3.51Å; R57-R99 VanDerWaalsContact CB-O 3.3Å; R57-R99 WeakPolarHBondContact CB-O 3.33Å
58	G	95.2	Very high	95.5	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.2	170.3	0	0	0	0	0	110.6	S70 G71 R99 T101	G58-S70 CarbonylContact O-C 3.55Å; G58-S70 WeakPolarHBondContact O-CA 3.03Å; G58-G71 PolarHBondContact N-O 3.35Å; G58-G71 PolarHBondContact O-N 3.05Å; G58-R99 PolarHBondContact N-O 3.09Å; G58-T101 WeakPolarHBondContact CA-OG1 3.46Å
59	I	97.7	Very high	95.7	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	132.9	168.2	-168.4	156.9	0	0	0	111	A18 L27 I35 F68 V69 T101	A18-I59 HydrophobicContact CB-CG2 4.37Å; L27-I59 HydrophobicContact CB-CD1 3.73Å; L27-I59 HydrophobicContact CB-CG1 4.18Å; L27-I59 HydrophobicContact CD1-CD1 4.05Å; L27-I59 HydrophobicContact CD1-CG1 4.08Å; L27-I59 HydrophobicContact CD2-CD1 4.4Å; L27-I59 HydrophobicContact CG-CD1 4.27Å; I35-I59 HydrophobicContact CB-CD1 4.43Å; I35-I59 HydrophobicContact CD1-CD1 4.25Å; I35-I59 HydrophobicContact CG1-CD1 4.2Å; I35-I59 HydrophobicContact CG2-CD1 3.42Å; I35-I59 VanDerWaalsContact CG2-CD1 3.42Å; I59-F68 HydrophobicContact CD1-CD2 4.37Å; I59-F68 HydrophobicContact CD1-CE2 4.4Å; I59-F68 HydrophobicContact CG1-CD2 4.37Å; I59-V69 VanDerWaalsContact CA-O 3.32Å; I59-V69 WeakPolarHBondContact CA-O 3.48Å; I59-T101 PolarHBondContact N-OG1 3.42Å
60	D	98.1	Very high	95.7	Very high	31 Å²	31	37.3 Å²	37.3	17%	0.166	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	150.7	179.2	-176.6	36	0	0	0	113.2	F68 V69 T101 F102 F103	D60-F68 CarbonylContact O-C 3.54Å; D60-F68 WeakPolarHBondContact O-CA 3.42Å; D60-F68 VanDerWaalsContact O-CB 3.26Å; D60-F68 WeakPolarHBondContact O-CB 3.22Å; D60-V69 HydrophobicContact CB-CG1 3.93Å; D60-V69 PolarHBondContact N-O 3.42Å; D60-V69 PolarHBondContact O-N 3.18Å; D60-T101 WeakPolarHBondContact CB-O 3.47Å; D60-F102 HydrophobicContact CB-CD1 4.12Å; D60-F103 PolarHBondContact OD2-N 2.74Å
61	F	97.6	Very high	95.9	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.035	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.4	178.1	-90.3	-70.2	0	0	0	111.8	A18 H20 L27 L37 A63 F68 Y82	A18-F61 HydrophobicContact CB-CD2 4.1Å; A18-F61 WeakPolarHBondContact O-CE2 3.45Å; H20-F61 HydrophobicContact CB-CD2 3.94Å; H20-F61 HydrophobicContact CB-CE1 4.28Å; H20-F61 HydrophobicContact CB-CE2 3.63Å; H20-F61 HydrophobicContact CB-CG 4.36Å; H20-F61 HydrophobicContact CB-CZ 3.8Å; H20-F61 AromaticContact CD2-CD1 3.88Å; H20-F61 AromaticContact CD2-CE1 3.6Å; H20-F61 AromaticContact CD2-CZ 3.93Å; L27-F61 HydrophobicContact CB-CE2 4.14Å; L27-F61 HydrophobicContact CD1-CD1 4.1Å; L27-F61 HydrophobicContact CD1-CD2 3.83Å; L27-F61 HydrophobicContact CD1-CE1 3.74Å; L27-F61 HydrophobicContact CD1-CE2 3.45Å; L27-F61 VanDerWaalsContact CD1-CE2 3.45Å; L27-F61 HydrophobicContact CD1-CG 4.15Å; L27-F61 HydrophobicContact CD1-CZ 3.42Å; L27-F61 VanDerWaalsContact CD1-CZ 3.42Å; L27-F61 HydrophobicContact CD2-CZ 4.43Å; L27-F61 HydrophobicContact CG-CD2 4.34Å; L27-F61 HydrophobicContact CG-CE1 4.27Å; L27-F61 HydrophobicContact CG-CE2 3.53Å; L27-F61 HydrophobicContact CG-CZ 3.5Å; L27-F61 VanDerWaalsContact CG-CZ 3.5Å; L37-F61 HydrophobicContact CD1-CZ 3.79Å; F61-A63 PolarHBondContact O-N 2.96Å; F61-F68 HydrophobicContact CD1-CB 4.04Å; F61-F68 HydrophobicContact CE1-CB 4.4Å; F61-Y82 HydrophobicContact CD1-CD1 4.25Å; F61-Y82 HydrophobicContact CD1-CE1 4.04Å; F61-Y82 AromaticContact CE1-CD1 3.77Å; F61-Y82 HydrophobicContact CE1-CD1 3.77Å; F61-Y82 AromaticContact CE1-CE1 3.82Å; F61-Y82 HydrophobicContact CE1-CE1 3.82Å
62	H	96.3	Very high	96.2	Very high	27 Å²	27	29.8 Å²	29.8	13%	0.125	16%	0.159	C	C	.	.			trans	-65.2	130.1	169.8	-169.9	-35.8	0	0	0	110.2	N64 Q65 L67 F103 W124	H62-N64 VanDerWaalsContact C-N 3.28Å; H62-N64 PolarHBondContact ND1-N 3.34Å; H62-N64 PolarHBondContact O-N 3.18Å; H62-N64 VanDerWaalsContact O-N 3.12Å; H62-Q65 HydrophobicContact CB-CB 4.39Å; H62-L67 HydrophobicContact CB-CB 3.96Å; H62-L67 PolarHBondContact N-O 2.78Å; H62-F103 HydrophobicContact CB-CD1 4.4Å; H62-F103 HydrophobicContact CB-CD2 3.92Å; H62-F103 HydrophobicContact CB-CE1 4.31Å; H62-F103 HydrophobicContact CB-CE2 3.8Å; H62-F103 HydrophobicContact CB-CG 4.22Å; H62-F103 HydrophobicContact CB-CZ 4.01Å; H62-F103 AromaticContact CD2-CE1 3.93Å; H62-W124 AromaticContact CD2-CZ2 3.77Å; H62-W124 AromaticContact NE2-CE2 3.88Å; H62-W124 AromaticContact NE2-CZ2 3.36Å; H62-W124 WeakPolarHBondContact NE2-CZ2 3.29Å; H62-W124 AromaticContact NE2-NE1 3.96Å
63	A	91.3	Very high	96.2	Very high	42 Å²	42	30 Å²	30	35%	0.347	16%	0.161	S	C	.	.	S	Bend	trans	-53.8	-34.7	-174.4	0	0	0	0	0	116.3	F61	F61-A63 PolarHBondContact O-N 2.96Å
64	N	90.5	Very high	96.4	Very high	115 Å²	115	23.4 Å²	23.4	62%	0.615	13%	0.131	S	C	*	.	S	Bend	trans	-127.3	-39.2	-172.3	-71.2	-44.7	0	0	0	114.1	K22 H62	K22-N64 PolarHBondContact NZ-OD1 3.38Å; H62-N64 VanDerWaalsContact C-N 3.28Å; H62-N64 PolarHBondContact ND1-N 3.34Å; H62-N64 PolarHBondContact O-N 3.18Å; H62-N64 VanDerWaalsContact O-N 3.12Å
65	Q	93.5	Very high	96.5	Very high	100 Å²	100	27.2 Å²	27.2	47%	0.467	14%	0.138	S	C	.	.	S	Bend	trans	-78.1	157.4	178.9	-65.5	-63.6	-7.8	0	0	111.8	H62 L67 W124	H62-Q65 HydrophobicContact CB-CB 4.39Å; Q65-L67 HydrophobicContact CB-CB 4.49Å; Q65-L67 HydrophobicContact CB-CD1 4.04Å; Q65-L67 HydrophobicContact CB-CG 3.97Å; Q65-L67 PolarHBondContact O-N 2.73Å; Q65-W124 HydrophobicContact CG-CH2 4.43Å
66	P	95.8	Very high	96.5	Very high	22 Å²	22	28.4 Å²	28.4	14%	0.143	14%	0.141	C	C	.	.	S	Bend	trans	-78.2	44.7	179.1	34.9	-37.2	0	0	0	112.8	N81 Y82 K83	P66-N81 WeakPolarHBondContact O-CA 3.43Å; P66-N81 PolarHBondContact O-OD1 2.67Å; P66-Y82 VanDerWaalsContact CA-CZ 3.49Å; P66-Y82 HydrophobicContact CB-CE1 4.28Å; P66-Y82 HydrophobicContact CB-CE2 4.1Å; P66-Y82 WeakPolarHBondContact O-CD1 3.42Å; P66-Y82 PolarHBondContact O-N 3.37Å; P66-K83 HydrophobicContact CB-CB 4.42Å; P66-K83 HydrophobicContact CB-CD 3.67Å; P66-K83 HydrophobicContact CB-CG 3.79Å; P66-K83 HydrophobicContact CG-CD 4.14Å
67	L	96.8	Very high	96.5	Very high	10 Å²	10	28.4 Å²	28.4	5%	0.052	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.1	-171.8	-57.2	177.9	0	0	0	111.7	H62 Q65 V79 W80 N81 L88 F103 W124	H62-L67 HydrophobicContact CB-CB 3.96Å; H62-L67 PolarHBondContact N-O 2.78Å; Q65-L67 HydrophobicContact CB-CB 4.49Å; Q65-L67 HydrophobicContact CB-CD1 4.04Å; Q65-L67 HydrophobicContact CB-CG 3.97Å; Q65-L67 PolarHBondContact O-N 2.73Å; L67-V79 HydrophobicContact CD1-CG1 4.35Å; L67-W80 WeakPolarHBondContact CA-O 3.45Å; L67-W80 WeakPolarHBondContact CD2-O 3.44Å; L67-N81 HydrophobicContact CD2-CB 3.98Å; L67-L88 HydrophobicContact CD2-CD1 3.64Å; L67-F103 HydrophobicContact CB-CZ 4.43Å; L67-W124 HydrophobicContact CD1-CE3 4.21Å; L67-W124 HydrophobicContact CD1-CH2 4.12Å; L67-W124 HydrophobicContact CD1-CZ3 3.92Å
68	F	98.1	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.2	159.6	72.9	-95.3	0	0	0	110	L27 I35 F49 I59 D60 F61 W80 Y82	L27-F68 HydrophobicContact CD1-CB 3.57Å; L27-F68 HydrophobicContact CD1-CD1 3.93Å; L27-F68 HydrophobicContact CD1-CD2 3.76Å; L27-F68 HydrophobicContact CD1-CE2 4.4Å; L27-F68 HydrophobicContact CD1-CG 3.5Å; L27-F68 VanDerWaalsContact CD1-CG 3.5Å; L27-F68 HydrophobicContact CD2-CD1 4.43Å; L27-F68 HydrophobicContact CD2-CE1 4.29Å; L27-F68 HydrophobicContact CD2-CE2 4.5Å; L27-F68 HydrophobicContact CD2-CZ 4.33Å; I35-F68 HydrophobicContact CD1-CE2 4.06Å; I35-F68 HydrophobicContact CG2-CE2 4.02Å; I35-F68 HydrophobicContact CG2-CZ 4.2Å; F49-F68 HydrophobicContact CB-CZ 4.19Å; F49-F68 HydrophobicContact CD1-CE1 4.1Å; F49-F68 AromaticContact CD1-CZ 3.96Å; F49-F68 HydrophobicContact CD1-CZ 3.96Å; F49-F68 AromaticContact CD2-CE1 3.93Å; F49-F68 HydrophobicContact CD2-CE1 3.93Å; F49-F68 AromaticContact CD2-CZ 3.65Å; F49-F68 HydrophobicContact CD2-CZ 3.65Å; F49-F68 AromaticContact CE1-CE1 3.88Å; F49-F68 HydrophobicContact CE1-CE1 3.88Å; F49-F68 HydrophobicContact CE1-CZ 4.22Å; F49-F68 AromaticContact CE2-CE1 3.72Å; F49-F68 HydrophobicContact CE2-CE1 3.72Å; F49-F68 AromaticContact CE2-CZ 3.96Å; F49-F68 HydrophobicContact CE2-CZ 3.96Å; F49-F68 HydrophobicContact CG-CE1 4.13Å; F49-F68 AromaticContact CG-CZ 3.66Å; F49-F68 HydrophobicContact CG-CZ 3.66Å; F49-F68 AromaticContact CZ-CE1 3.71Å; F49-F68 HydrophobicContact CZ-CE1 3.71Å; F49-F68 HydrophobicContact CZ-CZ 4.24Å; I59-F68 HydrophobicContact CD1-CD2 4.37Å; I59-F68 HydrophobicContact CD1-CE2 4.4Å; I59-F68 HydrophobicContact CG1-CD2 4.37Å; D60-F68 CarbonylContact O-C 3.54Å; D60-F68 WeakPolarHBondContact O-CA 3.42Å; D60-F68 VanDerWaalsContact O-CB 3.26Å; D60-F68 WeakPolarHBondContact O-CB 3.22Å; F61-F68 HydrophobicContact CD1-CB 4.04Å; F61-F68 HydrophobicContact CE1-CB 4.4Å; F68-W80 HydrophobicContact CD1-CB 3.83Å; F68-W80 HydrophobicContact CD2-CB 4.14Å; F68-W80 AromaticContact CD2-CD1 3.69Å; F68-W80 HydrophobicContact CD2-CG 4.13Å; F68-W80 HydrophobicContact CE1-CB 3.45Å; F68-W80 VanDerWaalsContact CE1-CB 3.45Å; F68-W80 AromaticContact CE1-CG 3.99Å; F68-W80 HydrophobicContact CE1-CG 3.99Å; F68-W80 HydrophobicContact CE2-CB 3.79Å; F68-W80 AromaticContact CE2-CD1 3.2Å; F68-W80 HydrophobicContact CE2-CD2 4.19Å; F68-W80 AromaticContact CE2-CG 3.48Å; F68-W80 HydrophobicContact CE2-CG 3.48Å; F68-W80 VanDerWaalsContact CE2-CG 3.48Å; F68-W80 AromaticContact CE2-NE1 3.75Å; F68-W80 HydrophobicContact CG-CB 4.16Å; F68-W80 HydrophobicContact CZ-CB 3.43Å; F68-W80 VanDerWaalsContact CZ-CB 3.43Å; F68-W80 AromaticContact CZ-CD1 3.66Å; F68-W80 AromaticContact CZ-CD2 3.95Å; F68-W80 HydrophobicContact CZ-CD2 3.95Å; F68-W80 AromaticContact CZ-CG 3.4Å; F68-W80 HydrophobicContact CZ-CG 3.4Å; F68-W80 VanDerWaalsContact CZ-CG 3.4Å; F68-W80 PolarHBondContact N-O 3.12Å; F68-W80 PolarHBondContact O-N 2.74Å; F68-Y82 HydrophobicContact CD1-CD1 4.37Å
69	V	98.4	Very high	96.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148	174.7	62	0	0	0	0	109	I59 D60 I77 K78 T101 F103 I110	I59-V69 VanDerWaalsContact CA-O 3.32Å; I59-V69 WeakPolarHBondContact CA-O 3.48Å; D60-V69 HydrophobicContact CB-CG1 3.93Å; D60-V69 PolarHBondContact N-O 3.42Å; D60-V69 PolarHBondContact O-N 3.18Å; V69-I77 HydrophobicContact CG2-CG2 3.47Å; V69-I77 VanDerWaalsContact CG2-CG2 3.47Å; V69-K78 CarbonylContact C-O 3.52Å; V69-K78 WeakPolarHBondContact CA-O 3.34Å; V69-T101 HydrophobicContact CG2-CG2 4.42Å; V69-F103 HydrophobicContact CB-CD2 4.42Å; V69-F103 HydrophobicContact CB-CE2 3.69Å; V69-F103 HydrophobicContact CB-CZ 3.83Å; V69-F103 HydrophobicContact CG1-CD2 3.81Å; V69-F103 HydrophobicContact CG1-CE2 3.54Å; V69-F103 HydrophobicContact CG1-CZ 4.13Å; V69-I110 HydrophobicContact CB-CD1 4.27Å; V69-I110 HydrophobicContact CG2-CD1 3.89Å; V69-I110 HydrophobicContact CG2-CG1 4.47Å; V69-I110 HydrophobicContact CG2-CG2 4.05Å
70	S	98.4	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.4	166.2	57.4	0	0	0	0	112.2	I35 H52 G58 I77 K78 W80	I35-S70 WeakPolarHBondContact CD1-OG 3.25Å; H52-S70 PolarHBondContact NE2-OG 2.62Å; G58-S70 CarbonylContact O-C 3.55Å; G58-S70 WeakPolarHBondContact O-CA 3.03Å; S70-I77 CarbonylContact O-C 3.52Å; S70-I77 WeakPolarHBondContact O-CA 3.45Å; S70-K78 PolarHBondContact N-O 3.26Å; S70-K78 PolarHBondContact O-N 2.77Å; S70-W80 PolarHBondContact OG-NE1 3.3Å
71	G	98	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.9	174.5	0	0	0	0	0	110.6	R57 G58	R57-G71 PolarHBondContact N-O 2.84Å; G58-G71 PolarHBondContact N-O 3.35Å; G58-G71 PolarHBondContact O-N 3.05Å
72	G	97	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	172.5	-174.6	0	0	0	0	0	114.9	P55 D74 Y75 K76 I98	P55-G72 CarbonylContact O-C 3.57Å; P55-G72 WeakPolarHBondContact O-CA 3.14Å; G72-D74 PolarHBondContact O-N 3.3Å; G72-Y75 PolarHBondContact O-N 2.89Å; G72-K76 PolarHBondContact N-O 3.43Å; G72-I98 PolarHBondContact O-N 3.06Å; G72-I98 VanDerWaalsContact O-N 3.17Å
73	D	97.8	Very high	96.3	Very high	16 Å²	16	33.2 Å²	33.2	9%	0.086	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-1.3	168.5	-69.1	3	0	0	0	112.2	P55 R57 Y75 Y97	P55-D73 VanDerWaalsContact CB-OD2 3.31Å; P55-D73 WeakPolarHBondContact CB-OD2 3.38Å; P55-D73 WeakPolarHBondContact CD-OD2 3.47Å; P55-D73 VanDerWaalsContact CG-OD2 3.24Å; P55-D73 WeakPolarHBondContact CG-OD2 3.44Å; P55-D73 PolarHBondContact O-N 3.24Å; R57-D73 IonicContact CZ-OD1 2.74Å; R57-D73 IonicContact CZ-OD2 2.92Å; R57-D73 IonicContact NE-OD1 3.67Å; R57-D73 PolarHBondContact NE-OD1 2.85Å; R57-D73 IonicContact NE-OD2 3.36Å; R57-D73 PolarHBondContact NE-OD2 2.94Å; R57-D73 IonicContact NH2-OD1 3.98Å; R57-D73 PolarHBondContact NH2-OD1 2.85Å; R57-D73 IonicContact NH2-OD2 2.6Å; R57-D73 PolarHBondContact NH2-OD2 2.93Å; D73-Y75 VanDerWaalsContact C-N 3.28Å; D73-Y97 VanDerWaalsContact CA-CD1 3.42Å; D73-Y97 HydrophobicContact CB-CD1 3.47Å; D73-Y97 VanDerWaalsContact CB-CD1 3.47Å; D73-Y97 HydrophobicContact CB-CE1 3.74Å; D73-Y97 HydrophobicContact CB-CG 4.05Å; D73-Y97 WeakPolarHBondContact O-CD1 3.41Å; D73-Y97 VanDerWaalsContact O-CE1 3.27Å; D73-Y97 WeakPolarHBondContact O-CE1 3.13Å
74	D	96.5	Very high	96.4	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.07	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	17.8	172.3	74.3	-28	0	0	0	113.4	H52 E53 G72 K76	H52-D74 WeakPolarHBondContact CA-OD2 3.41Å; H52-D74 IonicContact CE1-OD1 2.83Å; H52-D74 IonicContact CG-OD1 3.6Å; H52-D74 IonicContact CG-OD2 3.69Å; H52-D74 IonicContact ND1-OD1 2.71Å; H52-D74 PolarHBondContact ND1-OD1 2.99Å; H52-D74 IonicContact ND1-OD2 3.11Å; H52-D74 PolarHBondContact ND1-OD2 3.38Å; E53-D74 HydrophobicContact CB-CB 3.85Å; E53-D74 PolarHBondContact N-OD2 2.99Å; G72-D74 PolarHBondContact O-N 3.3Å; D74-K76 WeakPolarHBondContact O-CE 3.29Å; D74-K76 WeakPolarHBondContact O-CG 3.33Å; D74-K76 PolarHBondContact O-N 2.78Å; D74-K76 WeakPolarHBondContact OD2-CD 3.38Å; D74-K76 IonicContact OD2-NZ 3.93Å; D74-K76 PolarHBondContact OD2-NZ 3.13Å
75	Y	96.9	Very high	96.5	Very high	103 Å²	103	38.5 Å²	38.5	40%	0.404	17%	0.168	S	C	.	.	S	Bend	trans	58	7.3	179.6	-38.3	-37.2	0	0	0	115.5	G72 D73 D96 Y97 I98	G72-Y75 PolarHBondContact O-N 2.89Å; D73-Y75 VanDerWaalsContact C-N 3.28Å; Y75-D96 WeakPolarHBondContact CD1-O 3.42Å; Y75-D96 VanDerWaalsContact CE1-CA 3.5Å; Y75-Y97 HydrophobicContact CD1-CD1 4.13Å; Y75-Y97 AromaticContact CE1-CD1 3.55Å; Y75-Y97 HydrophobicContact CE1-CD1 3.55Å; Y75-Y97 AromaticContact CE1-CE1 3.82Å; Y75-Y97 HydrophobicContact CE1-CE1 3.82Å; Y75-I98 VanDerWaalsContact C-CD1 3.45Å
76	K	96.9	Very high	96.4	Very high	43 Å²	43	39.1 Å²	39.1	19%	0.187	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133	-177.8	-66.2	159.2	-133.8	144.9	0	109.6	H52 E53 G72 D74 K78 I92 I98	H52-K76 PolarHBondContact CE1-O 3.48Å; H52-K76 VanDerWaalsContact CE1-O 3.28Å; E53-K76 IonicContact OE1-NZ 3.72Å; E53-K76 IonicContact OE2-NZ 3.68Å; E53-K76 PolarHBondContact OE2-NZ 3.25Å; G72-K76 PolarHBondContact N-O 3.43Å; D74-K76 WeakPolarHBondContact O-CE 3.29Å; D74-K76 WeakPolarHBondContact O-CG 3.33Å; D74-K76 PolarHBondContact O-N 2.78Å; D74-K76 WeakPolarHBondContact OD2-CD 3.38Å; D74-K76 IonicContact OD2-NZ 3.93Å; D74-K76 PolarHBondContact OD2-NZ 3.13Å; K76-K78 HydrophobicContact CB-CG 4.48Å; K76-I92 HydrophobicContact CG-CG1 4.38Å; K76-I98 WeakPolarHBondContact O-CD1 3.29Å
77	I	98.1	Very high	96.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.7	161.2	-58.8	170.3	0	0	0	106.9	V69 S70 N90 L91 I98 T101 S112 W122	V69-I77 HydrophobicContact CG2-CG2 3.47Å; V69-I77 VanDerWaalsContact CG2-CG2 3.47Å; S70-I77 CarbonylContact O-C 3.52Å; S70-I77 WeakPolarHBondContact O-CA 3.45Å; I77-N90 CarbonylContact O-C 3.59Å; I77-N90 VanDerWaalsContact O-CA 3.27Å; I77-N90 WeakPolarHBondContact O-CA 3.46Å; I77-L91 HydrophobicContact CB-CB 4.19Å; I77-L91 HydrophobicContact CG2-CD1 4.38Å; I77-L91 PolarHBondContact N-O 3.48Å; I77-L91 PolarHBondContact O-N 3.25Å; I77-I98 HydrophobicContact CG1-CD1 3.59Å; I77-I98 HydrophobicContact CG1-CG1 4.43Å; I77-I98 HydrophobicContact CG1-CG2 4.49Å; I77-T101 HydrophobicContact CG1-CG2 4.33Å; I77-T101 HydrophobicContact CG2-CG2 4.38Å; I77-S112 WeakPolarHBondContact CD1-OG 3.41Å; I77-W122 HydrophobicContact CD1-CD2 4.34Å; I77-W122 HydrophobicContact CD1-CZ2 3.84Å
78	K	97.9	Very high	96.4	Very high	16 Å²	16	42.8 Å²	42.8	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.2	-178	-61.9	-175.6	-167.1	-100.5	0	110.4	G51 H52 V69 S70 K76 W80 N90	G51-K78 WeakPolarHBondContact O-CE 3.46Å; G51-K78 PolarHBondContact O-NZ 2.79Å; H52-K78 WeakPolarHBondContact ND1-CE 3.46Å; H52-K78 WeakPolarHBondContact NE2-CD 3.33Å; V69-K78 CarbonylContact C-O 3.52Å; V69-K78 WeakPolarHBondContact CA-O 3.34Å; S70-K78 PolarHBondContact N-O 3.26Å; S70-K78 PolarHBondContact O-N 2.77Å; K76-K78 HydrophobicContact CB-CG 4.48Å; K78-W80 HydrophobicContact CB-CZ2 4.14Å; K78-W80 HydrophobicContact CD-CZ2 3.74Å; K78-N90 WeakPolarHBondContact CG-OD1 3.25Å; K78-N90 PolarHBondContact NZ-OD1 3.07Å
79	V	98	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.5	175.1	-179.1	0	0	0	0	108.7	L67 L88 F89 I110	L67-V79 HydrophobicContact CD1-CG1 4.35Å; V79-L88 WeakPolarHBondContact O-CB 3.45Å; V79-L88 PolarHBondContact O-N 2.84Å; V79-F89 HydrophobicContact CB-CD2 4.24Å; V79-F89 HydrophobicContact CB-CE1 4.17Å; V79-F89 HydrophobicContact CB-CE2 3.68Å; V79-F89 HydrophobicContact CB-CZ 3.63Å; V79-F89 HydrophobicContact CG1-CE1 4.25Å; V79-F89 HydrophobicContact CG1-CE2 4.38Å; V79-F89 HydrophobicContact CG1-CZ 3.84Å; V79-F89 HydrophobicContact CG2-CD2 4.28Å; V79-F89 HydrophobicContact CG2-CE2 3.49Å; V79-F89 VanDerWaalsContact CG2-CE2 3.49Å; V79-F89 HydrophobicContact CG2-CZ 3.77Å; V79-F89 PolarHBondContact N-O 3.33Å; V79-F89 VanDerWaalsContact N-O 3.09Å; V79-I110 HydrophobicContact CG2-CD1 3.65Å
80	W	98	Very high	96.2	Very high	11 Å²	11	47.5 Å²	47.5	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	146.9	-172.7	-55.3	83	0	0	0	110.9	I35 F49 E50 L67 F68 S70 K78 C87	I35-W80 HydrophobicContact CD1-CZ2 4.46Å; F49-W80 HydrophobicContact CB-CD2 4.41Å; F49-W80 HydrophobicContact CB-CE3 3.95Å; F49-W80 HydrophobicContact CB-CH2 4.18Å; F49-W80 HydrophobicContact CB-CZ3 3.84Å; F49-W80 HydrophobicContact CD1-CD2 4.42Å; F49-W80 AromaticContact CD1-CE3 3.74Å; F49-W80 HydrophobicContact CD1-CE3 3.74Å; F49-W80 HydrophobicContact CD1-CZ3 4.23Å; F49-W80 HydrophobicContact CG-CE3 4.24Å; E50-W80 WeakPolarHBondContact O-CH2 3.5Å; L67-W80 WeakPolarHBondContact CA-O 3.45Å; L67-W80 WeakPolarHBondContact CD2-O 3.44Å; F68-W80 HydrophobicContact CD1-CB 3.83Å; F68-W80 HydrophobicContact CD2-CB 4.14Å; F68-W80 AromaticContact CD2-CD1 3.69Å; F68-W80 HydrophobicContact CD2-CG 4.13Å; F68-W80 HydrophobicContact CE1-CB 3.45Å; F68-W80 VanDerWaalsContact CE1-CB 3.45Å; F68-W80 AromaticContact CE1-CG 3.99Å; F68-W80 HydrophobicContact CE1-CG 3.99Å; F68-W80 HydrophobicContact CE2-CB 3.79Å; F68-W80 AromaticContact CE2-CD1 3.2Å; F68-W80 HydrophobicContact CE2-CD2 4.19Å; F68-W80 AromaticContact CE2-CG 3.48Å; F68-W80 HydrophobicContact CE2-CG 3.48Å; F68-W80 VanDerWaalsContact CE2-CG 3.48Å; F68-W80 AromaticContact CE2-NE1 3.75Å; F68-W80 HydrophobicContact CG-CB 4.16Å; F68-W80 HydrophobicContact CZ-CB 3.43Å; F68-W80 VanDerWaalsContact CZ-CB 3.43Å; F68-W80 AromaticContact CZ-CD1 3.66Å; F68-W80 AromaticContact CZ-CD2 3.95Å; F68-W80 HydrophobicContact CZ-CD2 3.95Å; F68-W80 AromaticContact CZ-CG 3.4Å; F68-W80 HydrophobicContact CZ-CG 3.4Å; F68-W80 VanDerWaalsContact CZ-CG 3.4Å; F68-W80 PolarHBondContact N-O 3.12Å; F68-W80 PolarHBondContact O-N 2.74Å; S70-W80 PolarHBondContact OG-NE1 3.3Å; K78-W80 HydrophobicContact CB-CZ2 4.14Å; K78-W80 HydrophobicContact CD-CZ2 3.74Å; W80-C87 HydrophobicContact CD2-CB 4.09Å; W80-C87 HydrophobicContact CE3-CB 3.69Å; W80-C87 VanDerWaalsContact CE3-N 3.26Å; W80-C87 HydrophobicContact CH2-CB 4.19Å; W80-C87 HydrophobicContact CZ3-CB 3.73Å
81	N	96.3	Very high	96	Very high	16 Å²	16	47.7 Å²	47.7	9%	0.086	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	106.5	169.2	-176.7	-34	0	0	0	109.3	P66 L67 K83 Q84 R85 K86 L88	P66-N81 WeakPolarHBondContact O-CA 3.43Å; P66-N81 PolarHBondContact O-OD1 2.67Å; L67-N81 HydrophobicContact CD2-CB 3.98Å; N81-K83 VanDerWaalsContact C-N 3.25Å; N81-K83 PolarHBondContact O-N 3.16Å; N81-K83 WeakPolarHBondContact OD1-CB 3.5Å; N81-K83 PolarHBondContact OD1-N 3.17Å; N81-Q84 HydrophobicContact CB-CB 4.08Å; N81-Q84 HydrophobicContact CB-CG 4.44Å; N81-Q84 CarbonylContact O-C 3.53Å; N81-Q84 PolarHBondContact O-N 3.3Å; N81-Q84 PolarHBondContact OD1-N 3.34Å; N81-R85 PolarHBondContact O-N 3.26Å; N81-K86 PolarHBondContact N-O 3.44Å; N81-K86 PolarHBondContact O-N 2.97Å; N81-L88 HydrophobicContact CB-CD1 4.01Å; N81-L88 HydrophobicContact CB-CD2 3.77Å; N81-L88 HydrophobicContact CB-CG 3.87Å
82	Y	94.4	Very high	95.8	Very high	32 Å²	32	53.5 Å²	53.5	13%	0.125	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.1	-175.2	65.3	-111.8	0	0	0	113.3	H20 W25 F61 P66 F68	H20-Y82 AromaticContact NE2-CZ 3.72Å; H20-Y82 PolarHBondContact NE2-OH 2.83Å; H20-Y82 VanDerWaalsContact NE2-OH 3.07Å; W25-Y82 AromaticContact CZ3-CD2 3.99Å; W25-Y82 HydrophobicContact CZ3-CD2 3.99Å; W25-Y82 AromaticContact CZ3-CE2 3.77Å; W25-Y82 HydrophobicContact CZ3-CE2 3.77Å; F61-Y82 HydrophobicContact CD1-CD1 4.25Å; F61-Y82 HydrophobicContact CD1-CE1 4.04Å; F61-Y82 AromaticContact CE1-CD1 3.77Å; F61-Y82 HydrophobicContact CE1-CD1 3.77Å; F61-Y82 AromaticContact CE1-CE1 3.82Å; F61-Y82 HydrophobicContact CE1-CE1 3.82Å; P66-Y82 VanDerWaalsContact CA-CZ 3.49Å; P66-Y82 HydrophobicContact CB-CE1 4.28Å; P66-Y82 HydrophobicContact CB-CE2 4.1Å; P66-Y82 WeakPolarHBondContact O-CD1 3.42Å; P66-Y82 PolarHBondContact O-N 3.37Å; F68-Y82 HydrophobicContact CD1-CD1 4.37Å
83	K	93.4	Very high	95.6	Very high	157 Å²	157	54.7 Å²	54.7	68%	0.683	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-37.8	171.1	-72.7	-177.2	179.5	179.6	0	111.8	P66 N81 R85	P66-K83 HydrophobicContact CB-CB 4.42Å; P66-K83 HydrophobicContact CB-CD 3.67Å; P66-K83 HydrophobicContact CB-CG 3.79Å; P66-K83 HydrophobicContact CG-CD 4.14Å; N81-K83 VanDerWaalsContact C-N 3.25Å; N81-K83 PolarHBondContact O-N 3.16Å; N81-K83 WeakPolarHBondContact OD1-CB 3.5Å; N81-K83 PolarHBondContact OD1-N 3.17Å; K83-R85 VanDerWaalsContact C-N 3.32Å
84	Q	93.9	Very high	95.5	Very high	109 Å²	109	54.2 Å²	54.2	51%	0.509	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.8	177.7	-64.3	-178.5	-4.4	0	0	113.3	N81 K86	N81-Q84 HydrophobicContact CB-CB 4.08Å; N81-Q84 HydrophobicContact CB-CG 4.44Å; N81-Q84 CarbonylContact O-C 3.53Å; N81-Q84 PolarHBondContact O-N 3.3Å; N81-Q84 PolarHBondContact OD1-N 3.34Å; Q84-K86 HydrophobicContact CB-CG 4.05Å; Q84-K86 PolarHBondContact O-N 2.87Å
85	R	92	Very high	95.5	Very high	159 Å²	159	60.1 Å²	60.1	60%	0.6	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	33.6	178.7	-56.9	177.7	-177.9	-139.1	7	114.4	E47 N81 K83	E47-R85 HydrophobicContact CG-CG 4.41Å; E47-R85 WeakPolarHBondContact OE1-CD 3.36Å; E47-R85 IonicContact OE1-CZ 2.7Å; E47-R85 IonicContact OE1-NE 2.71Å; E47-R85 IonicContact OE1-NH1 3.42Å; E47-R85 PolarHBondContact OE1-NH1 3.4Å; E47-R85 VanDerWaalsContact OE2-CD 3.27Å; E47-R85 WeakPolarHBondContact OE2-CD 3.34Å; E47-R85 IonicContact OE2-CZ 3.73Å; E47-R85 IonicContact OE2-NE 3.84Å; E47-R85 PolarHBondContact OE2-NE 3.01Å; E47-R85 VanDerWaalsContact OE2-NE 3.1Å; E47-R85 IonicContact OE2-NH1 2.66Å; E47-R85 PolarHBondContact OE2-NH1 3.41Å; E47-R85 IonicContact OE2-NH2 2.7Å; N81-R85 PolarHBondContact O-N 3.26Å; K83-R85 VanDerWaalsContact C-N 3.32Å
86	K	93	Very high	95.6	Very high	113 Å²	113	57.1 Å²	57.1	49%	0.491	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.4	-176.1	68.2	178.7	-177.2	177.1	0	114.1	N81 Q84 L88	N81-K86 PolarHBondContact N-O 3.44Å; N81-K86 PolarHBondContact O-N 2.97Å; Q84-K86 HydrophobicContact CB-CG 4.05Å; Q84-K86 PolarHBondContact O-N 2.87Å; K86-L88 HydrophobicContact CG-CD2 4.48Å
87	C	95.5	Very high	95.6	Very high	44 Å²	44	59.4 Å²	59.4	30%	0.297	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.4	161.8	-171.6	0	0	0	0	109	W80 F89	W80-C87 HydrophobicContact CD2-CB 4.09Å; W80-C87 HydrophobicContact CE3-CB 3.69Å; W80-C87 VanDerWaalsContact CE3-N 3.26Å; W80-C87 HydrophobicContact CH2-CB 4.19Å; W80-C87 HydrophobicContact CZ3-CB 3.73Å; C87-F89 PolarHBondContact SG-O 2.96Å
88	L	95.6	Very high	95.6	Very high	66 Å²	66	59.4 Å²	59.4	35%	0.346	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-42.5	173.9	-63	-174.2	0	0	0	111.7	L67 V79 N81 K86	L67-L88 HydrophobicContact CD2-CD1 3.64Å; V79-L88 WeakPolarHBondContact O-CB 3.45Å; V79-L88 PolarHBondContact O-N 2.84Å; N81-L88 HydrophobicContact CB-CD1 4.01Å; N81-L88 HydrophobicContact CB-CD2 3.77Å; N81-L88 HydrophobicContact CB-CG 3.87Å; K86-L88 HydrophobicContact CG-CD2 4.48Å
89	F	95.9	Very high	95.6	Very high	26 Å²	26	60 Å²	60	11%	0.114	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	157.3	178.6	51.4	-91.2	0	0	0	110.5	V79 C87 L91 W124 R127	V79-F89 HydrophobicContact CB-CD2 4.24Å; V79-F89 HydrophobicContact CB-CE1 4.17Å; V79-F89 HydrophobicContact CB-CE2 3.68Å; V79-F89 HydrophobicContact CB-CZ 3.63Å; V79-F89 HydrophobicContact CG1-CE1 4.25Å; V79-F89 HydrophobicContact CG1-CE2 4.38Å; V79-F89 HydrophobicContact CG1-CZ 3.84Å; V79-F89 HydrophobicContact CG2-CD2 4.28Å; V79-F89 HydrophobicContact CG2-CE2 3.49Å; V79-F89 VanDerWaalsContact CG2-CE2 3.49Å; V79-F89 HydrophobicContact CG2-CZ 3.77Å; V79-F89 PolarHBondContact N-O 3.33Å; V79-F89 VanDerWaalsContact N-O 3.09Å; C87-F89 PolarHBondContact SG-O 2.96Å; F89-L91 HydrophobicContact CD2-CD2 3.87Å; F89-L91 HydrophobicContact CD2-CG 4.14Å; F89-L91 HydrophobicContact CE2-CD1 4.42Å; F89-L91 HydrophobicContact CE2-CD2 3.85Å; F89-L91 HydrophobicContact CE2-CG 4.07Å; F89-W124 HydrophobicContact CZ-CB 4.26Å; F89-W124 WeakPolarHBondContact CZ-O 3.44Å; F89-R127 HydrophobicContact CD1-CG 4.46Å; F89-R127 HydrophobicContact CD2-CG 4.04Å; F89-R127 HydrophobicContact CE1-CG 4.47Å; F89-R127 HydrophobicContact CE2-CG 4.05Å; F89-R127 HydrophobicContact CG-CG 4.27Å; F89-R127 HydrophobicContact CZ-CG 4.28Å
90	N	95.9	Very high	95.6	Very high	73 Å²	73	60.2 Å²	60.2	39%	0.39	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	150.7	164.6	-41.3	-76	0	0	0	109	I77 K78 I92	I77-N90 CarbonylContact O-C 3.59Å; I77-N90 VanDerWaalsContact O-CA 3.27Å; I77-N90 WeakPolarHBondContact O-CA 3.46Å; K78-N90 WeakPolarHBondContact CG-OD1 3.25Å; K78-N90 PolarHBondContact NZ-OD1 3.07Å; N90-I92 HydrophobicContact CB-CD1 4.38Å; N90-I92 HydrophobicContact CB-CG1 4.18Å
91	L	95.6	Very high	95.6	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.6	160.5	-52.4	169.5	0	0	0	106.8	I77 F89 I110 W122 R127	I77-L91 HydrophobicContact CB-CB 4.19Å; I77-L91 HydrophobicContact CG2-CD1 4.38Å; I77-L91 PolarHBondContact N-O 3.48Å; I77-L91 PolarHBondContact O-N 3.25Å; F89-L91 HydrophobicContact CD2-CD2 3.87Å; F89-L91 HydrophobicContact CD2-CG 4.14Å; F89-L91 HydrophobicContact CE2-CD1 4.42Å; F89-L91 HydrophobicContact CE2-CD2 3.85Å; F89-L91 HydrophobicContact CE2-CG 4.07Å; L91-I110 HydrophobicContact CD1-CD1 4.13Å; L91-W122 HydrophobicContact CB-CD2 4.28Å; L91-W122 HydrophobicContact CB-CE3 3.72Å; L91-W122 HydrophobicContact CB-CZ3 3.87Å; L91-W122 HydrophobicContact CD1-CB 3.87Å; L91-W122 HydrophobicContact CD1-CD2 4.24Å; L91-W122 HydrophobicContact CD1-CE3 4.22Å; L91-W122 HydrophobicContact CD1-CG 4.12Å; L91-W122 HydrophobicContact CG-CE3 4.39Å; L91-R127 HydrophobicContact CD2-CB 3.82Å; L91-R127 WeakPolarHBondContact CD2-O 3.47Å
92	I	94.3	Very high	95.7	Very high	122 Å²	122	60.9 Å²	60.9	63%	0.626	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.1	-169.9	-58.1	174.9	0	0	0	108	K76 N90 W122	K76-I92 HydrophobicContact CG-CG1 4.38Å; N90-I92 HydrophobicContact CB-CD1 4.38Å; N90-I92 HydrophobicContact CB-CG1 4.18Å; I92-W122 WeakPolarHBondContact O-CH2 3.16Å; I92-W122 WeakPolarHBondContact O-CZ3 3.24Å
93	G	91.1	Very high	95.9	Very high	24 Å²	24	60.2 Å²	60.2	25%	0.247	29%	0.288	C	S	.	.			trans	152.5	-19.3	174.7	0	0	0	0	0	114.7	R120	G93-R120 PolarHBondContact O-NH1 3.04Å; G93-R120 PolarHBondContact O-NH2 3.31Å
94	H	97.1	Very high	96	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.032	26%	0.257	C	S	.	.			trans	-62.5	145.9	162.5	-85.1	-63.6	0	0	0	110	I98 S112 S114 D116 T118 R120 W122	H94-I98 HydrophobicContact CB-CG1 4.31Å; H94-S112 PolarHBondContact CD2-OG 2.97Å; H94-S112 PolarHBondContact NE2-OG 3.46Å; H94-S114 VanDerWaalsContact CE1-CB 3.4Å; H94-S114 WeakPolarHBondContact CE1-CB 3.43Å; H94-S114 WeakPolarHBondContact ND1-CB 3.48Å; H94-D116 VanDerWaalsContact CA-OD2 3.27Å; H94-D116 WeakPolarHBondContact CA-OD2 3.21Å; H94-D116 IonicContact CE1-OD1 3.24Å; H94-D116 IonicContact CE1-OD2 3.61Å; H94-D116 IonicContact CG-OD2 3.6Å; H94-D116 VanDerWaalsContact ND1-CG 3.27Å; H94-D116 IonicContact ND1-OD1 3.79Å; H94-D116 PolarHBondContact ND1-OD1 2.97Å; H94-D116 VanDerWaalsContact ND1-OD1 3.09Å; H94-D116 IonicContact ND1-OD2 3.09Å; H94-D116 PolarHBondContact ND1-OD2 2.76Å; H94-T118 PolarHBondContact CE1-OG1 2.76Å; H94-T118 PolarHBondContact ND1-OG1 2.73Å; H94-R120 PolarHBondContact ND1-NE 3.03Å; H94-W122 AromaticContact CD2-CZ2 3.83Å
95	L	96.2	Very high	95.8	Very high	136 Å²	136	51.3 Å²	51.3	71%	0.712	25%	0.247	S	C	*	.	S	Bend	trans	-103.3	-7.7	-174.4	-56.8	179.7	0	0	0	113.6	D116	L95-D116 HydrophobicContact CB-CB 4.03Å; L95-D116 PolarHBondContact N-OD2 3.45Å
96	D	97.5	Very high	95.7	Very high	41 Å²	41	49.6 Å²	49.6	22%	0.219	25%	0.246	C	C	.	.	S	Bend	trans	-149.8	178.2	-178.4	-154	-18.5	0	0	0	110.2	Y75 S114 D115 D116	Y75-D96 WeakPolarHBondContact CD1-O 3.42Å; Y75-D96 VanDerWaalsContact CE1-CA 3.5Å; D96-S114 PolarHBondContact O-OG 3.09Å; D96-D115 HydrophobicContact CB-CB 3.81Å; D96-D115 VanDerWaalsContact CG-CB 3.49Å; D96-D116 HydrophobicContact CB-CB 4.03Å
97	Y	98.1	Very high	95.7	Very high	91 Å²	91	46.5 Å²	46.5	36%	0.357	23%	0.232	S	C	.	.			trans	-49.7	135.5	-171.8	-59.5	-29.6	0	0	0	113.7	D73 Y75 S114 D115	D73-Y97 VanDerWaalsContact CA-CD1 3.42Å; D73-Y97 HydrophobicContact CB-CD1 3.47Å; D73-Y97 VanDerWaalsContact CB-CD1 3.47Å; D73-Y97 HydrophobicContact CB-CE1 3.74Å; D73-Y97 HydrophobicContact CB-CG 4.05Å; D73-Y97 WeakPolarHBondContact O-CD1 3.41Å; D73-Y97 VanDerWaalsContact O-CE1 3.27Å; D73-Y97 WeakPolarHBondContact O-CE1 3.13Å; Y75-Y97 HydrophobicContact CD1-CD1 4.13Å; Y75-Y97 AromaticContact CE1-CD1 3.55Å; Y75-Y97 HydrophobicContact CE1-CD1 3.55Å; Y75-Y97 AromaticContact CE1-CE1 3.82Å; Y75-Y97 HydrophobicContact CE1-CE1 3.82Å; Y97-S114 CarbonylContact O-C 3.53Å; Y97-S114 WeakPolarHBondContact O-CA 3.28Å; Y97-S114 WeakPolarHBondContact O-CB 3.39Å; Y97-S114 PolarHBondContact O-OG 3.12Å; Y97-S114 VanDerWaalsContact O-OG 3.04Å; Y97-D115 WeakPolarHBondContact CD2-OD2 3.29Å; Y97-D115 PolarHBondContact O-N 3.11Å
98	I	98.5	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.4	178.6	-60.5	151.7	0	0	0	109.5	G72 Y75 K76 I77 H94 T101	G72-I98 PolarHBondContact O-N 3.06Å; G72-I98 VanDerWaalsContact O-N 3.17Å; Y75-I98 VanDerWaalsContact C-CD1 3.45Å; K76-I98 WeakPolarHBondContact O-CD1 3.29Å; I77-I98 HydrophobicContact CG1-CD1 3.59Å; I77-I98 HydrophobicContact CG1-CG1 4.43Å; I77-I98 HydrophobicContact CG1-CG2 4.49Å; H94-I98 HydrophobicContact CB-CG1 4.31Å; I98-T101 HydrophobicContact CG2-CG2 3.71Å
99	R	97.8	Very high	95.6	Very high	30 Å²	30	43.1 Å²	43.1	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-51.3	-173.1	-70.3	-61.9	-154.2	-105.5	-8.1	113.2	R57 G58 S113 D115 V140 M141	R57-R99 CarbonylContact C-O 3.51Å; R57-R99 VanDerWaalsContact CB-O 3.3Å; R57-R99 WeakPolarHBondContact CB-O 3.33Å; G58-R99 PolarHBondContact N-O 3.09Å; R99-S113 PolarHBondContact N-O 3.04Å; R99-D115 IonicContact CZ-OD1 2.78Å; R99-D115 IonicContact CZ-OD2 3.59Å; R99-D115 IonicContact NE-OD1 3.59Å; R99-D115 PolarHBondContact NE-OD1 2.83Å; R99-D115 VanDerWaalsContact NE-OD1 3.11Å; R99-D115 IonicContact NE-OD2 2.75Å; R99-D115 VanDerWaalsContact NH1-CG 3.34Å; R99-D115 IonicContact NH1-OD1 3.86Å; R99-D115 PolarHBondContact NH1-OD1 3.04Å; R99-D115 IonicContact NH1-OD2 3.74Å; R99-D115 PolarHBondContact NH1-OD2 3.03Å; R99-D115 IonicContact NH2-OD1 3.52Å; R99-D115 PolarHBondContact NH2-OD1 2.84Å; R99-D115 IonicContact NH2-OD2 3.47Å; R99-D115 PolarHBondContact NH2-OD2 3.43Å; R99-V140 WeakPolarHBondContact CB-O 3.42Å; R99-M141 WeakPolarHBondContact CB-O 3.4Å; R99-M141 HydrophobicContact CG-SD 4.32Å; R99-M141 PolarHBondContact NE-SD 3.48Å
100	T	98.1	Very high	95.8	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.5	174.3	64.1	0	0	0	0	112.2	F102 S112 S113 C142 A143 W231	T100-F102 HydrophobicContact CG2-CE2 4.18Å; T100-S112 VanDerWaalsContact O-CA 3.26Å; T100-S112 WeakPolarHBondContact O-CA 3.33Å; T100-S113 PolarHBondContact N-OG 3.14Å; T100-S113 PolarHBondContact O-N 2.9Å; T100-S113 VanDerWaalsContact O-N 3.12Å; T100-S113 PolarHBondContact OG1-OG 3.35Å; T100-C142 HydrophobicContact CG2-CB 4.18Å; T100-A143 PolarHBondContact OG1-N 3.17Å; T100-A143 VanDerWaalsContact OG1-N 3.13Å; T100-A143 PolarHBondContact OG1-O 3.47Å; T100-W231 HydrophobicContact CG2-CH2 4Å; T100-W231 HydrophobicContact CG2-CZ3 3.72Å
101	T	98	Very high	95.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.4	171.8	56.1	0	0	0	0	109.7	G58 I59 D60 V69 I77 I98 L111	G58-T101 WeakPolarHBondContact CA-OG1 3.46Å; I59-T101 PolarHBondContact N-OG1 3.42Å; D60-T101 WeakPolarHBondContact CB-O 3.47Å; V69-T101 HydrophobicContact CG2-CG2 4.42Å; I77-T101 HydrophobicContact CG1-CG2 4.33Å; I77-T101 HydrophobicContact CG2-CG2 4.38Å; I98-T101 HydrophobicContact CG2-CG2 3.71Å; T101-L111 CarbonylContact C-O 3.57Å; T101-L111 VanDerWaalsContact CA-O 3.26Å; T101-L111 WeakPolarHBondContact CA-O 3.38Å
102	F	98	Very high	96	Very high	39 Å²	39	38.2 Å²	38.2	17%	0.171	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.3	178.5	-64	-77.8	0	0	0	111.6	D60 T100 I110 L111 A143 Q144 W231	D60-F102 HydrophobicContact CB-CD1 4.12Å; T100-F102 HydrophobicContact CG2-CE2 4.18Å; F102-I110 CarbonylContact O-C 3.51Å; F102-I110 WeakPolarHBondContact O-CA 3.4Å; F102-L111 PolarHBondContact N-O 3.5Å; F102-L111 PolarHBondContact O-N 3.2Å; F102-A143 WeakPolarHBondContact CD2-O 3.18Å; F102-A143 WeakPolarHBondContact CE2-O 3.3Å; F102-Q144 HydrophobicContact CD2-CG 3.88Å; F102-Q144 HydrophobicContact CE2-CG 3.47Å; F102-Q144 VanDerWaalsContact CE2-CG 3.47Å; F102-Q144 HydrophobicContact CZ-CG 3.93Å; F102-W231 HydrophobicContact CZ-CH2 4.26Å; F102-W231 HydrophobicContact CZ-CZ2 4.29Å
103	F	97.6	Very high	96.2	Very high	19 Å²	19	32.4 Å²	32.4	8%	0.083	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	146.5	168	-76.1	-78.2	0	0	0	111.2	D60 H62 L67 V69 I110 W124	D60-F103 PolarHBondContact OD2-N 2.74Å; H62-F103 HydrophobicContact CB-CD1 4.4Å; H62-F103 HydrophobicContact CB-CD2 3.92Å; H62-F103 HydrophobicContact CB-CE1 4.31Å; H62-F103 HydrophobicContact CB-CE2 3.8Å; H62-F103 HydrophobicContact CB-CG 4.22Å; H62-F103 HydrophobicContact CB-CZ 4.01Å; H62-F103 AromaticContact CD2-CE1 3.93Å; L67-F103 HydrophobicContact CB-CZ 4.43Å; V69-F103 HydrophobicContact CB-CD2 4.42Å; V69-F103 HydrophobicContact CB-CE2 3.69Å; V69-F103 HydrophobicContact CB-CZ 3.83Å; V69-F103 HydrophobicContact CG1-CD2 3.81Å; V69-F103 HydrophobicContact CG1-CE2 3.54Å; V69-F103 HydrophobicContact CG1-CZ 4.13Å; F103-I110 HydrophobicContact CD1-CD1 4.49Å; F103-I110 HydrophobicContact CD1-CG1 3.77Å; F103-I110 HydrophobicContact CE1-CD1 3.91Å; F103-I110 HydrophobicContact CE1-CG1 3.69Å; F103-I110 HydrophobicContact CZ-CD1 4.37Å; F103-I110 HydrophobicContact CZ-CG1 4.43Å; F103-W124 AromaticContact CD1-CD1 3.94Å; F103-W124 AromaticContact CD1-NE1 3.99Å; F103-W124 AromaticContact CE1-CD1 3.74Å; F103-W124 HydrophobicContact CE1-CG 4.24Å; F103-W124 AromaticContact CE1-NE1 3.94Å
104	H	95.5	Very high	96.5	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.037	15%	0.146	C	C	.	.			trans	-72.9	149.5	163.1	-173.2	-102	0	0	0	110.9	E106 Y107 W109 F145	H104-E106 PolarHBondContact ND1-N 3.42Å; H104-E106 PolarHBondContact O-N 3.5Å; H104-Y107 AromaticContact CE1-CD2 3.14Å; H104-Y107 WeakPolarHBondContact CE1-CD2 3.5Å; H104-Y107 AromaticContact CE1-CE2 3.61Å; H104-Y107 AromaticContact CE1-CG 3.84Å; H104-Y107 AromaticContact ND1-CD2 3.41Å; H104-Y107 WeakPolarHBondContact ND1-CD2 3.39Å; H104-Y107 AromaticContact ND1-CG 3.72Å; H104-Y107 PolarHBondContact ND1-N 2.9Å; H104-Y107 AromaticContact NE2-CD2 3.99Å; H104-W109 HydrophobicContact CB-CB 3.88Å; H104-W109 PolarHBondContact N-O 3.42Å; H104-F145 HydrophobicContact CB-CD2 4Å; H104-F145 HydrophobicContact CB-CE2 3.54Å; H104-F145 HydrophobicContact CB-CZ 3.83Å; H104-F145 AromaticContact CD2-CD1 3.79Å; H104-F145 AromaticContact CD2-CD2 3.95Å; H104-F145 AromaticContact CD2-CE1 4Å; H104-F145 AromaticContact CD2-CG 3.77Å
105	K	91.1	Very high	96.6	Very high	70 Å²	70	31.2 Å²	31.2	30%	0.304	15%	0.146	S	C	.	.	S	Bend	trans	-65.5	-31.4	-174.8	55.2	-178.4	173.2	91.8	0	114.9	P147 R148	K105-P147 VanDerWaalsContact CD-O 3.27Å; K105-P147 WeakPolarHBondContact CD-O 3.43Å; K105-P147 WeakPolarHBondContact CE-O 3.18Å; K105-R148 PolarHBondContact NZ-O 2.81Å
106	E	89.9	Confident	96.7	Very high	123 Å²	123	26 Å²	26	58%	0.575	12%	0.118	S	C	*	.	S	Bend	trans	-129.1	-66.9	-169.8	-73.9	142.5	-147.4	0	0	111.7	H104	H104-E106 PolarHBondContact ND1-N 3.42Å; H104-E106 PolarHBondContact O-N 3.5Å
107	Y	92.1	Very high	96.7	Very high	48 Å²	48	28 Å²	28	19%	0.188	13%	0.127	C	C	.	.	S	Bend	trans	-60.6	153.2	175.8	-47.8	-47	0	0	0	113.6	H104 W109 R170 V174	H104-Y107 AromaticContact CE1-CD2 3.14Å; H104-Y107 WeakPolarHBondContact CE1-CD2 3.5Å; H104-Y107 AromaticContact CE1-CE2 3.61Å; H104-Y107 AromaticContact CE1-CG 3.84Å; H104-Y107 AromaticContact ND1-CD2 3.41Å; H104-Y107 WeakPolarHBondContact ND1-CD2 3.39Å; H104-Y107 AromaticContact ND1-CG 3.72Å; H104-Y107 PolarHBondContact ND1-N 2.9Å; H104-Y107 AromaticContact NE2-CD2 3.99Å; Y107-W109 AromaticContact CD2-CE3 3.72Å; Y107-W109 HydrophobicContact CD2-CE3 3.72Å; Y107-W109 HydrophobicContact CD2-CH2 4.11Å; Y107-W109 AromaticContact CD2-CZ3 3.38Å; Y107-W109 HydrophobicContact CD2-CZ3 3.38Å; Y107-W109 HydrophobicContact CE2-CZ3 4.23Å; Y107-W109 HydrophobicContact CG-CE3 4.05Å; Y107-W109 HydrophobicContact CG-CH2 4.43Å; Y107-W109 AromaticContact CG-CZ3 3.96Å; Y107-W109 HydrophobicContact CG-CZ3 3.96Å; Y107-W109 PolarHBondContact O-N 3.11Å; Y107-R170 HydrophobicContact CD2-CG 4.44Å; Y107-R170 HydrophobicContact CE2-CG 3.61Å; Y107-R170 VanDerWaalsContact OH-CD 3.31Å; Y107-R170 WeakPolarHBondContact OH-CD 3.33Å; Y107-V174 HydrophobicContact CD1-CG1 4.13Å; Y107-V174 HydrophobicContact CD1-CG2 3.93Å; Y107-V174 HydrophobicContact CE1-CB 4.5Å; Y107-V174 HydrophobicContact CE1-CG1 3.78Å; Y107-V174 HydrophobicContact CE1-CG2 4.06Å; Y107-V174 HydrophobicContact CG-CG2 4.35Å
108	P	94.3	Very high	96.6	Very high	33 Å²	33	24.4 Å²	24.4	21%	0.214	11%	0.114	C	C	.	.	S	Bend	trans	-77.4	49.2	-175.7	34.8	-38.5	0	0	0	112.8	N123 W124 Q125	P108-N123 WeakPolarHBondContact O-CA 3.47Å; P108-W124 HydrophobicContact CB-CZ2 4.39Å; P108-W124 PolarHBondContact O-N 3.38Å; P108-Q125 HydrophobicContact CB-CB 4.49Å; P108-Q125 HydrophobicContact CB-CG 3.81Å
109	W	96	Very high	96.6	Very high	6 Å²	6	24.5 Å²	24.5	2%	0.023	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	148.7	-172.3	-66.2	-30.5	0	0	0	113.8	H104 Y107 I121 W122 F145 M166 L169 V174	H104-W109 HydrophobicContact CB-CB 3.88Å; H104-W109 PolarHBondContact N-O 3.42Å; Y107-W109 AromaticContact CD2-CE3 3.72Å; Y107-W109 HydrophobicContact CD2-CE3 3.72Å; Y107-W109 HydrophobicContact CD2-CH2 4.11Å; Y107-W109 AromaticContact CD2-CZ3 3.38Å; Y107-W109 HydrophobicContact CD2-CZ3 3.38Å; Y107-W109 HydrophobicContact CE2-CZ3 4.23Å; Y107-W109 HydrophobicContact CG-CE3 4.05Å; Y107-W109 HydrophobicContact CG-CH2 4.43Å; Y107-W109 AromaticContact CG-CZ3 3.96Å; Y107-W109 HydrophobicContact CG-CZ3 3.96Å; Y107-W109 PolarHBondContact O-N 3.11Å; W109-I121 HydrophobicContact CB-CG2 4.12Å; W109-I121 HydrophobicContact CD2-CG2 4.14Å; W109-I121 HydrophobicContact CG-CG2 3.93Å; W109-W122 CarbonylContact C-O 3.55Å; W109-W122 WeakPolarHBondContact CA-O 3.45Å; W109-F145 HydrophobicContact CB-CZ 4.34Å; W109-M166 HydrophobicContact CE3-CE 3.95Å; W109-M166 HydrophobicContact CH2-CE 4.37Å; W109-M166 HydrophobicContact CZ3-CE 3.41Å; W109-M166 VanDerWaalsContact CZ3-CE 3.41Å; W109-L169 HydrophobicContact CH2-CD2 4.36Å; W109-L169 HydrophobicContact CH2-CG 4.07Å; W109-L169 HydrophobicContact CZ2-CD2 4.5Å; W109-L169 HydrophobicContact CZ2-CG 4.24Å; W109-V174 HydrophobicContact CH2-CG2 4.36Å; W109-V174 HydrophobicContact CZ2-CG2 4.49Å
110	I	98.2	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.3	165.3	-66.5	165.6	0	0	0	106.9	V69 V79 L91 F102 F103 I121 W122 W124	V69-I110 HydrophobicContact CB-CD1 4.27Å; V69-I110 HydrophobicContact CG2-CD1 3.89Å; V69-I110 HydrophobicContact CG2-CG1 4.47Å; V69-I110 HydrophobicContact CG2-CG2 4.05Å; V79-I110 HydrophobicContact CG2-CD1 3.65Å; L91-I110 HydrophobicContact CD1-CD1 4.13Å; F102-I110 CarbonylContact O-C 3.51Å; F102-I110 WeakPolarHBondContact O-CA 3.4Å; F103-I110 HydrophobicContact CD1-CD1 4.49Å; F103-I110 HydrophobicContact CD1-CG1 3.77Å; F103-I110 HydrophobicContact CE1-CD1 3.91Å; F103-I110 HydrophobicContact CE1-CG1 3.69Å; F103-I110 HydrophobicContact CZ-CD1 4.37Å; F103-I110 HydrophobicContact CZ-CG1 4.43Å; I110-I121 WeakPolarHBondContact O-CA 3.47Å; I110-W122 HydrophobicContact CB-CB 4.44Å; I110-W122 PolarHBondContact N-O 2.89Å; I110-W122 PolarHBondContact O-N 3.31Å; I110-W124 HydrophobicContact CD1-CB 3.73Å; I110-W124 HydrophobicContact CD1-CG 4.4Å; I110-W124 HydrophobicContact CG1-CB 4.28Å
111	L	98.4	Very high	96.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.3	166.8	-172.5	68.7	0	0	0	109	T101 F102 I119 R120 I121 A143 F145 I152	T101-L111 CarbonylContact C-O 3.57Å; T101-L111 VanDerWaalsContact CA-O 3.26Å; T101-L111 WeakPolarHBondContact CA-O 3.38Å; F102-L111 PolarHBondContact N-O 3.5Å; F102-L111 PolarHBondContact O-N 3.2Å; L111-I119 HydrophobicContact CD1-CG2 3.48Å; L111-I119 VanDerWaalsContact CD1-CG2 3.48Å; L111-I119 HydrophobicContact CG-CG2 4.16Å; L111-R120 CarbonylContact C-O 3.55Å; L111-R120 WeakPolarHBondContact CA-O 3.4Å; L111-I121 HydrophobicContact CD1-CG1 3.89Å; L111-A143 HydrophobicContact CD2-CB 3.93Å; L111-A143 HydrophobicContact CG-CB 4.33Å; L111-F145 HydrophobicContact CB-CD2 4.12Å; L111-F145 HydrophobicContact CB-CE1 4.37Å; L111-F145 HydrophobicContact CB-CE2 3.49Å; L111-F145 VanDerWaalsContact CB-CE2 3.49Å; L111-F145 HydrophobicContact CB-CZ 3.65Å; L111-F145 HydrophobicContact CD1-CE1 4.47Å; L111-F145 HydrophobicContact CD1-CZ 4.42Å; L111-F145 HydrophobicContact CD2-CD1 4.5Å; L111-F145 HydrophobicContact CD2-CD2 4.38Å; L111-F145 HydrophobicContact CD2-CE2 4.47Å; L111-F145 HydrophobicContact CD2-CG 4.41Å; L111-F145 HydrophobicContact CG-CZ 4.45Å; L111-I152 HydrophobicContact CD1-CD1 3.76Å; L111-I152 HydrophobicContact CD1-CG1 4.33Å; L111-I152 HydrophobicContact CD1-CG2 4.43Å; L111-I152 HydrophobicContact CD2-CG1 4.25Å; L111-I152 HydrophobicContact CD2-CG2 3.92Å
112	S	98.4	Very high	96.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.2	170.2	58.1	0	0	0	0	112.6	I77 H94 T100 I119 R120 W122	I77-S112 WeakPolarHBondContact CD1-OG 3.41Å; H94-S112 PolarHBondContact CD2-OG 2.97Å; H94-S112 PolarHBondContact NE2-OG 3.46Å; T100-S112 VanDerWaalsContact O-CA 3.26Å; T100-S112 WeakPolarHBondContact O-CA 3.33Å; S112-I119 CarbonylContact O-C 3.4Å; S112-I119 VanDerWaalsContact O-CA 3.29Å; S112-I119 WeakPolarHBondContact O-CA 3.02Å; S112-I119 WeakPolarHBondContact O-CG2 3.44Å; S112-R120 PolarHBondContact N-O 3.35Å; S112-R120 PolarHBondContact O-N 3.25Å; S112-W122 PolarHBondContact OG-NE1 2.89Å
113	S	98.2	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149	171.1	65.6	0	0	0	0	110	R99 T100 V140	R99-S113 PolarHBondContact N-O 3.04Å; T100-S113 PolarHBondContact N-OG 3.14Å; T100-S113 PolarHBondContact O-N 2.9Å; T100-S113 VanDerWaalsContact O-N 3.12Å; T100-S113 PolarHBondContact OG1-OG 3.35Å; S113-V140 VanDerWaalsContact CB-O 3.29Å; S113-V140 WeakPolarHBondContact CB-O 3.42Å; S113-V140 PolarHBondContact OG-O 3.46Å
114	S	98.5	Very high	96.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	161.3	-171.9	174.9	0	0	0	0	112.9	H94 D96 Y97 D116 Q117 T118 V140	H94-S114 VanDerWaalsContact CE1-CB 3.4Å; H94-S114 WeakPolarHBondContact CE1-CB 3.43Å; H94-S114 WeakPolarHBondContact ND1-CB 3.48Å; D96-S114 PolarHBondContact O-OG 3.09Å; Y97-S114 CarbonylContact O-C 3.53Å; Y97-S114 WeakPolarHBondContact O-CA 3.28Å; Y97-S114 WeakPolarHBondContact O-CB 3.39Å; Y97-S114 PolarHBondContact O-OG 3.12Å; Y97-S114 VanDerWaalsContact O-OG 3.04Å; S114-D116 WeakPolarHBondContact CB-OD1 3.36Å; S114-D116 PolarHBondContact O-N 3.27Å; S114-D116 PolarHBondContact OG-N 2.9Å; S114-D116 PolarHBondContact OG-OD1 2.91Å; S114-Q117 PolarHBondContact O-N 3.34Å; S114-T118 PolarHBondContact N-O 2.85Å; S114-V140 PolarHBondContact O-N 3.02Å
115	D	98.4	Very high	96	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.032	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.4	166.5	-72.1	0.4	0	0	0	112.2	D96 Y97 R99 Q117 Y139	D96-D115 HydrophobicContact CB-CB 3.81Å; D96-D115 VanDerWaalsContact CG-CB 3.49Å; Y97-D115 WeakPolarHBondContact CD2-OD2 3.29Å; Y97-D115 PolarHBondContact O-N 3.11Å; R99-D115 IonicContact CZ-OD1 2.78Å; R99-D115 IonicContact CZ-OD2 3.59Å; R99-D115 IonicContact NE-OD1 3.59Å; R99-D115 PolarHBondContact NE-OD1 2.83Å; R99-D115 VanDerWaalsContact NE-OD1 3.11Å; R99-D115 IonicContact NE-OD2 2.75Å; R99-D115 VanDerWaalsContact NH1-CG 3.34Å; R99-D115 IonicContact NH1-OD1 3.86Å; R99-D115 PolarHBondContact NH1-OD1 3.04Å; R99-D115 IonicContact NH1-OD2 3.74Å; R99-D115 PolarHBondContact NH1-OD2 3.03Å; R99-D115 IonicContact NH2-OD1 3.52Å; R99-D115 PolarHBondContact NH2-OD1 2.84Å; R99-D115 IonicContact NH2-OD2 3.47Å; R99-D115 PolarHBondContact NH2-OD2 3.43Å; D115-Q117 PolarHBondContact O-N 3.21Å; D115-Y139 HydrophobicContact CB-CD1 3.61Å; D115-Y139 HydrophobicContact CB-CD2 4.4Å; D115-Y139 HydrophobicContact CB-CE1 3.82Å; D115-Y139 HydrophobicContact CB-CG 3.89Å; D115-Y139 WeakPolarHBondContact O-CD1 3.5Å; D115-Y139 WeakPolarHBondContact OD1-CB 3.43Å
116	D	97.5	Very high	96.1	Very high	26 Å²	26	30.2 Å²	30.2	14%	0.139	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	13.1	173.9	81.6	-1.8	0	0	0	114.4	H94 L95 D96 S114 T118 R120	H94-D116 VanDerWaalsContact CA-OD2 3.27Å; H94-D116 WeakPolarHBondContact CA-OD2 3.21Å; H94-D116 IonicContact CE1-OD1 3.24Å; H94-D116 IonicContact CE1-OD2 3.61Å; H94-D116 IonicContact CG-OD2 3.6Å; H94-D116 VanDerWaalsContact ND1-CG 3.27Å; H94-D116 IonicContact ND1-OD1 3.79Å; H94-D116 PolarHBondContact ND1-OD1 2.97Å; H94-D116 VanDerWaalsContact ND1-OD1 3.09Å; H94-D116 IonicContact ND1-OD2 3.09Å; H94-D116 PolarHBondContact ND1-OD2 2.76Å; L95-D116 HydrophobicContact CB-CB 4.03Å; L95-D116 PolarHBondContact N-OD2 3.45Å; D96-D116 HydrophobicContact CB-CB 4.03Å; S114-D116 WeakPolarHBondContact CB-OD1 3.36Å; S114-D116 PolarHBondContact O-N 3.27Å; S114-D116 PolarHBondContact OG-N 2.9Å; S114-D116 PolarHBondContact OG-OD1 2.91Å; D116-T118 PolarHBondContact O-N 3.21Å; D116-T118 VanDerWaalsContact O-N 3.09Å; D116-T118 WeakPolarHBondContact OD1-CB 3.45Å; D116-T118 PolarHBondContact OD1-N 3.27Å; D116-T118 PolarHBondContact OD1-OG1 2.96Å; D116-T118 PolarHBondContact OD2-OG1 3.35Å; D116-R120 IonicContact OD2-CZ 3.78Å; D116-R120 IonicContact OD2-NE 3.75Å; D116-R120 IonicContact OD2-NH2 2.66Å; D116-R120 PolarHBondContact OD2-NH2 2.82Å
117	Q	97.8	Very high	96.2	Very high	84 Å²	84	31.8 Å²	31.8	39%	0.393	15%	0.152	S	C	.	.	S	Bend	trans	65.1	2.3	179.8	-43	-173.4	1.7	0	0	114.5	S114 D115 S137	S114-Q117 PolarHBondContact O-N 3.34Å; D115-Q117 PolarHBondContact O-N 3.21Å; Q117-S137 PolarHBondContact NE2-O 3.3Å; Q117-S137 PolarHBondContact OE1-O 2.9Å
118	T	96.9	Very high	96.1	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.098	16%	0.161	C	C	.	.			trans	-103.4	151.5	179.1	75.6	0	0	0	0	113.1	H94 S114 D116 R120 I132 T134	H94-T118 PolarHBondContact CE1-OG1 2.76Å; H94-T118 PolarHBondContact ND1-OG1 2.73Å; S114-T118 PolarHBondContact N-O 2.85Å; D116-T118 PolarHBondContact O-N 3.21Å; D116-T118 VanDerWaalsContact O-N 3.09Å; D116-T118 WeakPolarHBondContact OD1-CB 3.45Å; D116-T118 PolarHBondContact OD1-N 3.27Å; D116-T118 PolarHBondContact OD1-OG1 2.96Å; D116-T118 PolarHBondContact OD2-OG1 3.35Å; T118-R120 PolarHBondContact OG1-NE 2.72Å; T118-I132 HydrophobicContact CG2-CG2 3.96Å; T118-T134 HydrophobicContact CG2-CG2 4.22Å
119	I	98.1	Very high	96.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.5	161.5	-57.4	150.3	0	0	0	106.6	L111 S112 L133 V140 A143 S154 W164	L111-I119 HydrophobicContact CD1-CG2 3.48Å; L111-I119 VanDerWaalsContact CD1-CG2 3.48Å; L111-I119 HydrophobicContact CG-CG2 4.16Å; S112-I119 CarbonylContact O-C 3.4Å; S112-I119 VanDerWaalsContact O-CA 3.29Å; S112-I119 WeakPolarHBondContact O-CA 3.02Å; S112-I119 WeakPolarHBondContact O-CG2 3.44Å; I119-L133 HydrophobicContact CB-CB 4.03Å; I119-L133 HydrophobicContact CB-CD2 4.2Å; I119-L133 HydrophobicContact CG2-CD2 4.05Å; I119-L133 PolarHBondContact N-O 3.01Å; I119-L133 VanDerWaalsContact N-O 3.11Å; I119-L133 PolarHBondContact O-N 3.11Å; I119-V140 HydrophobicContact CD1-CG1 4.04Å; I119-V140 HydrophobicContact CG1-CB 4.33Å; I119-V140 HydrophobicContact CG1-CG1 3.74Å; I119-V140 HydrophobicContact CG1-CG2 4.32Å; I119-A143 HydrophobicContact CD1-CB 4.38Å; I119-A143 HydrophobicContact CG1-CB 4.16Å; I119-A143 HydrophobicContact CG2-CB 3.92Å; I119-S154 WeakPolarHBondContact CD1-OG 3.32Å; I119-W164 HydrophobicContact CD1-CZ2 3.84Å
120	R	97.2	Very high	95.8	Very high	19 Å²	19	34.8 Å²	34.8	7%	0.072	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.8	-176.8	-61.4	-173.5	-166.5	-161	18.7	112	G93 H94 L111 S112 D116 T118 W122 S131 I132	G93-R120 PolarHBondContact O-NH1 3.04Å; G93-R120 PolarHBondContact O-NH2 3.31Å; H94-R120 PolarHBondContact ND1-NE 3.03Å; L111-R120 CarbonylContact C-O 3.55Å; L111-R120 WeakPolarHBondContact CA-O 3.4Å; S112-R120 PolarHBondContact N-O 3.35Å; S112-R120 PolarHBondContact O-N 3.25Å; D116-R120 IonicContact OD2-CZ 3.78Å; D116-R120 IonicContact OD2-NE 3.75Å; D116-R120 IonicContact OD2-NH2 2.66Å; D116-R120 PolarHBondContact OD2-NH2 2.82Å; T118-R120 PolarHBondContact OG1-NE 2.72Å; R120-W122 HydrophobicContact CB-CZ2 4.17Å; R120-S131 WeakPolarHBondContact CA-O 3.4Å; R120-I132 HydrophobicContact CG-CB 4.49Å; R120-I132 HydrophobicContact CG-CG1 4.22Å; R120-I132 HydrophobicContact CG-CG2 4.16Å
121	I	97	Very high	95.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	126.7	172.6	-55.8	174.4	0	0	0	106.9	W109 I110 L111 V130 S131 L133 I152 L169 V216	W109-I121 HydrophobicContact CB-CG2 4.12Å; W109-I121 HydrophobicContact CD2-CG2 4.14Å; W109-I121 HydrophobicContact CG-CG2 3.93Å; I110-I121 WeakPolarHBondContact O-CA 3.47Å; L111-I121 HydrophobicContact CD1-CG1 3.89Å; I121-V130 HydrophobicContact CB-CB 4.42Å; I121-V130 HydrophobicContact CG2-CB 4.16Å; I121-V130 HydrophobicContact CG2-CG1 4.36Å; I121-V130 WeakPolarHBondContact O-CA 3.41Å; I121-V130 WeakPolarHBondContact O-CB 3.03Å; I121-V130 PolarHBondContact O-N 3.02Å; I121-S131 PolarHBondContact N-O 3.37Å; I121-S131 PolarHBondContact O-N 3.43Å; I121-L133 HydrophobicContact CD1-CD1 3.99Å; I121-L133 HydrophobicContact CG1-CD1 4.16Å; I121-I152 HydrophobicContact CD1-CD1 3.75Å; I121-I152 HydrophobicContact CG1-CD1 4.31Å; I121-L169 HydrophobicContact CD1-CD2 3.5Å; I121-L169 VanDerWaalsContact CD1-CD2 3.5Å; I121-L169 HydrophobicContact CG2-CD2 4.39Å; I121-V216 HydrophobicContact CD1-CG2 4.26Å
122	W	96.6	Very high	95.4	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.3	-178.6	-48.6	75.8	0	0	0	109.8	I77 L91 I92 H94 W109 I110 S112 R120 A128 I129	I77-W122 HydrophobicContact CD1-CD2 4.34Å; I77-W122 HydrophobicContact CD1-CZ2 3.84Å; L91-W122 HydrophobicContact CB-CD2 4.28Å; L91-W122 HydrophobicContact CB-CE3 3.72Å; L91-W122 HydrophobicContact CB-CZ3 3.87Å; L91-W122 HydrophobicContact CD1-CB 3.87Å; L91-W122 HydrophobicContact CD1-CD2 4.24Å; L91-W122 HydrophobicContact CD1-CE3 4.22Å; L91-W122 HydrophobicContact CD1-CG 4.12Å; L91-W122 HydrophobicContact CG-CE3 4.39Å; I92-W122 WeakPolarHBondContact O-CH2 3.16Å; I92-W122 WeakPolarHBondContact O-CZ3 3.24Å; H94-W122 AromaticContact CD2-CZ2 3.83Å; W109-W122 CarbonylContact C-O 3.55Å; W109-W122 WeakPolarHBondContact CA-O 3.45Å; I110-W122 HydrophobicContact CB-CB 4.44Å; I110-W122 PolarHBondContact N-O 2.89Å; I110-W122 PolarHBondContact O-N 3.31Å; S112-W122 PolarHBondContact OG-NE1 2.89Å; R120-W122 HydrophobicContact CB-CZ2 4.17Å; W122-A128 WeakPolarHBondContact CA-O 3.46Å; W122-I129 HydrophobicContact CD2-CG1 4.14Å; W122-I129 HydrophobicContact CE3-CB 4.45Å; W122-I129 HydrophobicContact CE3-CG1 3.47Å; W122-I129 VanDerWaalsContact CE3-CG1 3.47Å; W122-I129 HydrophobicContact CH2-CD1 3.94Å; W122-I129 HydrophobicContact CH2-CG1 3.76Å; W122-I129 HydrophobicContact CZ2-CG1 4.37Å; W122-I129 HydrophobicContact CZ3-CD1 3.86Å; W122-I129 HydrophobicContact CZ3-CG1 3.26Å
123	N	94.3	Very high	95.2	Very high	33 Å²	33	39.7 Å²	39.7	18%	0.176	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	113.6	168.5	178.6	-26.1	0	0	0	108.4	P108 Q125 S126 R127 A128 V130	P108-N123 WeakPolarHBondContact O-CA 3.47Å; N123-Q125 VanDerWaalsContact C-N 3.28Å; N123-Q125 PolarHBondContact O-N 3Å; N123-Q125 WeakPolarHBondContact OD1-CA 3.49Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.48Å; N123-Q125 PolarHBondContact OD1-N 3.48Å; N123-S126 WeakPolarHBondContact CB-OG 3.19Å; N123-S126 VanDerWaalsContact CG-OG 3.25Å; N123-S126 PolarHBondContact OD1-N 3.44Å; N123-S126 VanDerWaalsContact OD1-N 3.09Å; N123-R127 WeakPolarHBondContact O-CA 3.42Å; N123-R127 PolarHBondContact O-N 3.2Å; N123-A128 PolarHBondContact N-O 3.2Å; N123-A128 PolarHBondContact O-N 3.23Å; N123-V130 HydrophobicContact CB-CG2 3.49Å; N123-V130 VanDerWaalsContact CB-CG2 3.49Å
124	W	93.8	Very high	94.9	Very high	32 Å²	32	44.3 Å²	44.3	12%	0.121	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.3	-175.7	67.6	-105.2	0	0	0	113.4	H62 Q65 L67 F89 F103 P108 I110	H62-W124 AromaticContact CD2-CZ2 3.77Å; H62-W124 AromaticContact NE2-CE2 3.88Å; H62-W124 AromaticContact NE2-CZ2 3.36Å; H62-W124 WeakPolarHBondContact NE2-CZ2 3.29Å; H62-W124 AromaticContact NE2-NE1 3.96Å; Q65-W124 HydrophobicContact CG-CH2 4.43Å; L67-W124 HydrophobicContact CD1-CE3 4.21Å; L67-W124 HydrophobicContact CD1-CH2 4.12Å; L67-W124 HydrophobicContact CD1-CZ3 3.92Å; F89-W124 HydrophobicContact CZ-CB 4.26Å; F89-W124 WeakPolarHBondContact CZ-O 3.44Å; F103-W124 AromaticContact CD1-CD1 3.94Å; F103-W124 AromaticContact CD1-NE1 3.99Å; F103-W124 AromaticContact CE1-CD1 3.74Å; F103-W124 HydrophobicContact CE1-CG 4.24Å; F103-W124 AromaticContact CE1-NE1 3.94Å; P108-W124 HydrophobicContact CB-CZ2 4.39Å; P108-W124 PolarHBondContact O-N 3.38Å; I110-W124 HydrophobicContact CD1-CB 3.73Å; I110-W124 HydrophobicContact CD1-CG 4.4Å; I110-W124 HydrophobicContact CG1-CB 4.28Å
125	Q	93.6	Very high	94.5	Very high	126 Å²	126	46.3 Å²	46.3	59%	0.589	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-49.1	174.8	-68.2	178	-31.1	0	0	111.5	P108 N123 R127	P108-Q125 HydrophobicContact CB-CB 4.49Å; P108-Q125 HydrophobicContact CB-CG 3.81Å; N123-Q125 VanDerWaalsContact C-N 3.28Å; N123-Q125 PolarHBondContact O-N 3Å; N123-Q125 WeakPolarHBondContact OD1-CA 3.49Å; N123-Q125 WeakPolarHBondContact OD1-CB 3.48Å; N123-Q125 PolarHBondContact OD1-N 3.48Å; Q125-R127 VanDerWaalsContact C-N 3.33Å
126	S	92.3	Very high	94.5	Very high	76 Å²	76	46.5 Å²	46.5	53%	0.531	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.4	175.1	65.6	0	0	0	0	113.7	N123 A128	N123-S126 WeakPolarHBondContact CB-OG 3.19Å; N123-S126 VanDerWaalsContact CG-OG 3.25Å; N123-S126 PolarHBondContact OD1-N 3.44Å; N123-S126 VanDerWaalsContact OD1-N 3.09Å; S126-A128 PolarHBondContact O-N 3.39Å
127	R	93.7	Very high	94.4	Very high	156 Å²	156	49.1 Å²	49.1	59%	0.589	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	21.6	-177.8	-47.6	179	-166.5	163.6	6.1	114.4	F89 L91 N123 Q125	F89-R127 HydrophobicContact CD1-CG 4.46Å; F89-R127 HydrophobicContact CD2-CG 4.04Å; F89-R127 HydrophobicContact CE1-CG 4.47Å; F89-R127 HydrophobicContact CE2-CG 4.05Å; F89-R127 HydrophobicContact CG-CG 4.27Å; F89-R127 HydrophobicContact CZ-CG 4.28Å; L91-R127 HydrophobicContact CD2-CB 3.82Å; L91-R127 WeakPolarHBondContact CD2-O 3.47Å; N123-R127 WeakPolarHBondContact O-CA 3.42Å; N123-R127 PolarHBondContact O-N 3.2Å; Q125-R127 VanDerWaalsContact C-N 3.33Å
128	A	90	Very high	94.4	Very high	45 Å²	45	48.8 Å²	48.8	37%	0.372	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	156.8	-179.7	0	0	0	0	0	112.5	W122 N123 S126	W122-A128 WeakPolarHBondContact CA-O 3.46Å; N123-A128 PolarHBondContact N-O 3.2Å; N123-A128 PolarHBondContact O-N 3.23Å; S126-A128 PolarHBondContact O-N 3.39Å
129	I	92.6	Very high	94.4	Very high	66 Å²	66	52 Å²	52	34%	0.338	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.6	160.8	-61.9	170.7	0	0	0	107.8	W122 I132	W122-I129 HydrophobicContact CD2-CG1 4.14Å; W122-I129 HydrophobicContact CE3-CB 4.45Å; W122-I129 HydrophobicContact CE3-CG1 3.47Å; W122-I129 VanDerWaalsContact CE3-CG1 3.47Å; W122-I129 HydrophobicContact CH2-CD1 3.94Å; W122-I129 HydrophobicContact CH2-CG1 3.76Å; W122-I129 HydrophobicContact CZ2-CG1 4.37Å; W122-I129 HydrophobicContact CZ3-CD1 3.86Å; W122-I129 HydrophobicContact CZ3-CG1 3.26Å; I129-I132 HydrophobicContact CD1-CD1 4.48Å; I129-I132 HydrophobicContact CG2-CD1 4.3Å; I129-I132 HydrophobicContact CG2-CG1 3.74Å
130	V	91.4	Very high	94.5	Very high	39 Å²	39	51.9 Å²	51.9	24%	0.236	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-44.1	176.3	173.7	0	0	0	0	110.2	I121 N123 L169	I121-V130 HydrophobicContact CB-CB 4.42Å; I121-V130 HydrophobicContact CG2-CB 4.16Å; I121-V130 HydrophobicContact CG2-CG1 4.36Å; I121-V130 WeakPolarHBondContact O-CA 3.41Å; I121-V130 WeakPolarHBondContact O-CB 3.03Å; I121-V130 PolarHBondContact O-N 3.02Å; N123-V130 HydrophobicContact CB-CG2 3.49Å; N123-V130 VanDerWaalsContact CB-CG2 3.49Å; V130-L169 HydrophobicContact CG1-CD1 3.41Å; V130-L169 VanDerWaalsContact CG1-CD1 3.41Å; V130-L169 HydrophobicContact CG1-CD2 4.01Å; V130-L169 HydrophobicContact CG1-CG 4.25Å
131	S	92.5	Very high	94.5	Very high	20 Å²	20	52.6 Å²	52.6	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	149.3	178.7	-166.5	0	0	0	0	111.1	R120 I121	R120-S131 WeakPolarHBondContact CA-O 3.4Å; I121-S131 PolarHBondContact N-O 3.37Å; I121-S131 PolarHBondContact O-N 3.43Å
132	I	94.8	Very high	94.6	Very high	77 Å²	77	52.6 Å²	52.6	40%	0.395	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.7	173.4	-54.2	-179.9	0	0	0	106.6	T118 R120 I129 T134	T118-I132 HydrophobicContact CG2-CG2 3.96Å; R120-I132 HydrophobicContact CG-CB 4.49Å; R120-I132 HydrophobicContact CG-CG1 4.22Å; R120-I132 HydrophobicContact CG-CG2 4.16Å; I129-I132 HydrophobicContact CD1-CD1 4.48Å; I129-I132 HydrophobicContact CG2-CD1 4.3Å; I129-I132 HydrophobicContact CG2-CG1 3.74Å; I132-T134 HydrophobicContact CG2-CG2 4.1Å
133	L	94.4	Very high	94.6	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.6	178.2	-72.5	57.4	0	0	0	107.1	I119 I121 I152 W164 V216	I119-L133 HydrophobicContact CB-CB 4.03Å; I119-L133 HydrophobicContact CB-CD2 4.2Å; I119-L133 HydrophobicContact CG2-CD2 4.05Å; I119-L133 PolarHBondContact N-O 3.01Å; I119-L133 VanDerWaalsContact N-O 3.11Å; I119-L133 PolarHBondContact O-N 3.11Å; I121-L133 HydrophobicContact CD1-CD1 3.99Å; I121-L133 HydrophobicContact CG1-CD1 4.16Å; L133-I152 HydrophobicContact CD2-CD1 4.08Å; L133-W164 HydrophobicContact CB-CE3 4.09Å; L133-W164 HydrophobicContact CB-CH2 4.21Å; L133-W164 HydrophobicContact CB-CZ3 3.89Å; L133-W164 HydrophobicContact CD2-CB 4.37Å; L133-W164 HydrophobicContact CD2-CD2 3.89Å; L133-W164 HydrophobicContact CD2-CE3 3.99Å; L133-W164 HydrophobicContact CD2-CG 4.06Å; L133-W164 HydrophobicContact CG-CD2 4.47Å; L133-W164 HydrophobicContact CG-CE3 4.06Å; L133-W164 HydrophobicContact CG-CZ3 4.35Å; L133-V216 HydrophobicContact CD1-CB 4.12Å; L133-V216 HydrophobicContact CD1-CG1 4.1Å; L133-V216 HydrophobicContact CD1-CG2 4.19Å; L133-V216 HydrophobicContact CD2-CG1 3.84Å; L133-V216 HydrophobicContact CG-CB 4.16Å; L133-V216 HydrophobicContact CG-CG1 3.78Å
134	T	92.4	Very high	94.8	Very high	97 Å²	97	52.4 Å²	52.4	60%	0.595	29%	0.285	S	S	*	.			trans	-101.7	156.9	174.3	54.5	0	0	0	0	110.6	T118 I132 W164	T118-T134 HydrophobicContact CG2-CG2 4.22Å; I132-T134 HydrophobicContact CG2-CG2 4.1Å; T134-W164 WeakPolarHBondContact O-CH2 3.44Å; T134-W164 WeakPolarHBondContact O-CZ3 3.28Å
135	G	90	Very high	95	Very high	43 Å²	43	52.1 Å²	52.1	44%	0.443	29%	0.285	S	S	.	.			trans	136.7	-19.8	170.6	0	0	0	0	0	115.1	R162	G135-R162 PolarHBondContact O-NH1 2.94Å; G135-R162 PolarHBondContact O-NH2 2.89Å
136	H	96.9	Very high	95	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.046	26%	0.26	C	S	.	.			trans	-64.6	149.5	159.7	-81.9	-63.2	0	0	0	109.4	V140 S154 S156 D158 T160 W164	H136-V140 HydrophobicContact CB-CG2 3.81Å; H136-S154 PolarHBondContact NE2-OG 3.43Å; H136-S156 VanDerWaalsContact CE1-CB 3.4Å; H136-S156 WeakPolarHBondContact CE1-CB 3.36Å; H136-S156 WeakPolarHBondContact ND1-CB 3.35Å; H136-D158 VanDerWaalsContact CA-OD2 3.26Å; H136-D158 WeakPolarHBondContact CA-OD2 3.36Å; H136-D158 VanDerWaalsContact CB-OD2 3.24Å; H136-D158 WeakPolarHBondContact CB-OD2 3.38Å; H136-D158 IonicContact CE1-OD1 3.63Å; H136-D158 IonicContact CE1-OD2 3.95Å; H136-D158 IonicContact CG-OD2 2.73Å; H136-D158 IonicContact ND1-OD1 3.83Å; H136-D158 PolarHBondContact ND1-OD1 3.2Å; H136-D158 IonicContact ND1-OD2 2.84Å; H136-D158 PolarHBondContact ND1-OD2 3.47Å; H136-T160 PolarHBondContact CE1-OG1 2.98Å; H136-T160 PolarHBondContact ND1-OG1 3.17Å; H136-W164 AromaticContact CD2-CZ2 3.87Å
137	S	95.9	Very high	95	Very high	80 Å²	80	45.9 Å²	45.9	56%	0.559	25%	0.252	S	S	*	.	S	Bend	trans	-113.8	7.2	-176.1	52.8	0	0	0	0	113.2	Q117 D158	Q117-S137 PolarHBondContact NE2-O 3.3Å; Q117-S137 PolarHBondContact OE1-O 2.9Å; S137-D158 PolarHBondContact N-OD2 3.24Å; S137-D158 WeakPolarHBondContact OG-CB 3.38Å
138	H	97.5	Very high	94.8	Very high	77 Å²	77	46 Å²	46	36%	0.356	25%	0.253	S	S	.	.	S	Bend	trans	-150	177.5	172.8	-146.2	-75.8	0	0	0	110	V140 S156 L157 D158	H138-V140 PolarHBondContact O-N 3.36Å; H138-S156 PolarHBondContact O-OG 2.98Å; H138-L157 HydrophobicContact CB-CB 4.16Å; H138-L157 WeakPolarHBondContact ND1-CB 3.22Å; H138-D158 HydrophobicContact CB-CB 3.96Å
139	Y	98.3	Very high	94.8	Very high	83 Å²	83	49 Å²	49	33%	0.325	26%	0.259	S	S	.	.			trans	-43.2	122.5	175.6	-57.6	-13.1	0	0	0	113.5	D115 M141 S156 L157	D115-Y139 HydrophobicContact CB-CD1 3.61Å; D115-Y139 HydrophobicContact CB-CD2 4.4Å; D115-Y139 HydrophobicContact CB-CE1 3.82Å; D115-Y139 HydrophobicContact CB-CG 3.89Å; D115-Y139 WeakPolarHBondContact O-CD1 3.5Å; D115-Y139 WeakPolarHBondContact OD1-CB 3.43Å; Y139-M141 PolarHBondContact O-N 2.85Å; Y139-S156 WeakPolarHBondContact O-CA 3.33Å; Y139-S156 PolarHBondContact O-OG 2.66Å; Y139-L157 HydrophobicContact CD2-CD1 3.78Å; Y139-L157 HydrophobicContact CG-CD1 4.34Å; Y139-L157 PolarHBondContact O-N 3.29Å
140	V	98.6	Very high	94.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	101.1	178.2	-167.8	0	0	0	0	109	R99 S113 S114 I119 H136 H138 A155	R99-V140 WeakPolarHBondContact CB-O 3.42Å; S113-V140 VanDerWaalsContact CB-O 3.29Å; S113-V140 WeakPolarHBondContact CB-O 3.42Å; S113-V140 PolarHBondContact OG-O 3.46Å; S114-V140 PolarHBondContact O-N 3.02Å; I119-V140 HydrophobicContact CD1-CG1 4.04Å; I119-V140 HydrophobicContact CG1-CB 4.33Å; I119-V140 HydrophobicContact CG1-CG1 3.74Å; I119-V140 HydrophobicContact CG1-CG2 4.32Å; H136-V140 HydrophobicContact CB-CG2 3.81Å; H138-V140 PolarHBondContact O-N 3.36Å; V140-A155 CarbonylContact C-O 3.59Å; V140-A155 WeakPolarHBondContact CG1-O 3.44Å
141	M	98.1	Very high	95	Very high	33 Å²	33	46 Å²	46	16%	0.163	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-25.8	-170.2	-61.8	-62.6	-71.4	0	0	113.6	R99 Y139 A155 L157 V229 N230	R99-M141 WeakPolarHBondContact CB-O 3.4Å; R99-M141 HydrophobicContact CG-SD 4.32Å; R99-M141 PolarHBondContact NE-SD 3.48Å; Y139-M141 PolarHBondContact O-N 2.85Å; M141-A155 PolarHBondContact N-O 3.48Å; M141-L157 HydrophobicContact CG-CD1 4.41Å; M141-L157 HydrophobicContact CG-CD2 3.6Å; M141-L157 HydrophobicContact CG-CG 3.65Å; M141-L157 HydrophobicContact SD-CD1 4.04Å; M141-L157 HydrophobicContact SD-CD2 4.17Å; M141-L157 HydrophobicContact SD-CG 3.93Å; M141-V229 WeakPolarHBondContact CB-O 3.45Å; M141-N230 VanDerWaalsContact CB-O 3.23Å; M141-N230 WeakPolarHBondContact CB-O 3.49Å
142	C	98.2	Very high	95.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	142.1	177.2	-168.8	0	0	0	0	110.8	T100 Q144 S154 A155 W231 V232	T100-C142 HydrophobicContact CG2-CB 4.18Å; C142-Q144 PolarHBondContact SG-NE2 2.9Å; C142-S154 CarbonylContact O-C 3.55Å; C142-S154 WeakPolarHBondContact O-CA 3.5Å; C142-A155 HydrophobicContact CB-CB 4.42Å; C142-A155 PolarHBondContact N-O 2.86Å; C142-A155 PolarHBondContact O-N 2.98Å; C142-W231 HydrophobicContact CB-CD2 4.28Å; C142-W231 HydrophobicContact CB-CE3 4.04Å; C142-V232 HydrophobicContact CB-CG1 4.28Å
143	A	98.2	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.8	164.4	0	0	0	0	0	110.8	T100 F102 L111 I119 V153	T100-A143 PolarHBondContact OG1-N 3.17Å; T100-A143 VanDerWaalsContact OG1-N 3.13Å; T100-A143 PolarHBondContact OG1-O 3.47Å; F102-A143 WeakPolarHBondContact CD2-O 3.18Å; F102-A143 WeakPolarHBondContact CE2-O 3.3Å; L111-A143 HydrophobicContact CD2-CB 3.93Å; L111-A143 HydrophobicContact CG-CB 4.33Å; I119-A143 HydrophobicContact CD1-CB 4.38Å; I119-A143 HydrophobicContact CG1-CB 4.16Å; I119-A143 HydrophobicContact CG2-CB 3.92Å; A143-V153 CarbonylContact C-O 3.56Å; A143-V153 VanDerWaalsContact CA-O 3.25Å; A143-V153 WeakPolarHBondContact CA-O 3.48Å
144	Q	97.6	Very high	95.6	Very high	35 Å²	35	41.1 Å²	41.1	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.9	-177.1	-74.4	172.1	34.3	0	0	112	F102 C142 I152 V153 V232	F102-Q144 HydrophobicContact CD2-CG 3.88Å; F102-Q144 HydrophobicContact CE2-CG 3.47Å; F102-Q144 VanDerWaalsContact CE2-CG 3.47Å; F102-Q144 HydrophobicContact CZ-CG 3.93Å; C142-Q144 PolarHBondContact SG-NE2 2.9Å; Q144-I152 CarbonylContact O-C 3.42Å; Q144-I152 WeakPolarHBondContact O-CA 3.47Å; Q144-V153 HydrophobicContact CB-CG1 4.48Å; Q144-V153 PolarHBondContact N-O 2.71Å; Q144-V153 PolarHBondContact O-N 2.9Å; Q144-V232 PolarHBondContact NE2-O 2.96Å
145	F	97.3	Very high	95.9	Very high	25 Å²	25	36.5 Å²	36.5	11%	0.11	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	148.9	167.4	-64.9	-69.4	0	0	0	111.5	H104 W109 L111 I152 M166	H104-F145 HydrophobicContact CB-CD2 4Å; H104-F145 HydrophobicContact CB-CE2 3.54Å; H104-F145 HydrophobicContact CB-CZ 3.83Å; H104-F145 AromaticContact CD2-CD1 3.79Å; H104-F145 AromaticContact CD2-CD2 3.95Å; H104-F145 AromaticContact CD2-CE1 4Å; H104-F145 AromaticContact CD2-CG 3.77Å; W109-F145 HydrophobicContact CB-CZ 4.34Å; L111-F145 HydrophobicContact CB-CD2 4.12Å; L111-F145 HydrophobicContact CB-CE1 4.37Å; L111-F145 HydrophobicContact CB-CE2 3.49Å; L111-F145 VanDerWaalsContact CB-CE2 3.49Å; L111-F145 HydrophobicContact CB-CZ 3.65Å; L111-F145 HydrophobicContact CD1-CE1 4.47Å; L111-F145 HydrophobicContact CD1-CZ 4.42Å; L111-F145 HydrophobicContact CD2-CD1 4.5Å; L111-F145 HydrophobicContact CD2-CD2 4.38Å; L111-F145 HydrophobicContact CD2-CE2 4.47Å; L111-F145 HydrophobicContact CD2-CG 4.41Å; L111-F145 HydrophobicContact CG-CZ 4.45Å; F145-I152 HydrophobicContact CD1-CD1 4.2Å; F145-I152 HydrophobicContact CD1-CG1 3.67Å; F145-I152 HydrophobicContact CE1-CD1 4.02Å; F145-I152 HydrophobicContact CE1-CG1 4.02Å; F145-M166 HydrophobicContact CD1-CE 4.5Å; F145-M166 HydrophobicContact CD1-SD 3.76Å; F145-M166 HydrophobicContact CE1-CE 4.19Å; F145-M166 HydrophobicContact CE1-SD 3.72Å
146	H	95.4	Very high	96.3	Very high	13 Å²	13	34.5 Å²	34.5	6%	0.06	17%	0.166	C	C	.	.			trans	-69.7	136.7	167.4	-172.4	-123.3	0	0	0	110.2	R148 E149 L151 F234	H146-R148 PolarHBondContact O-N 3.39Å; H146-E149 IonicContact CE1-OE1 2.68Å; H146-E149 PolarHBondContact CE1-OE1 3.13Å; H146-E149 VanDerWaalsContact CE1-OE1 3.24Å; H146-E149 IonicContact CE1-OE2 2.78Å; H146-E149 VanDerWaalsContact ND1-CB 3.29Å; H146-E149 WeakPolarHBondContact ND1-CB 3.46Å; H146-E149 WeakPolarHBondContact ND1-CG 3.34Å; H146-E149 PolarHBondContact ND1-N 3.16Å; H146-E149 VanDerWaalsContact ND1-N 3.11Å; H146-E149 IonicContact ND1-OE1 2.67Å; H146-E149 IonicContact ND1-OE2 3.71Å; H146-L151 HydrophobicContact CB-CB 3.92Å; H146-L151 PolarHBondContact N-O 3.46Å; H146-F234 HydrophobicContact CB-CD2 3.92Å; H146-F234 HydrophobicContact CB-CE1 4.4Å; H146-F234 HydrophobicContact CB-CE2 3.63Å; H146-F234 HydrophobicContact CB-CG 4.42Å; H146-F234 HydrophobicContact CB-CZ 3.88Å; H146-F234 AromaticContact CD2-CD1 3.49Å; H146-F234 VanDerWaalsContact CD2-CD1 3.49Å; H146-F234 WeakPolarHBondContact CD2-CD1 3.24Å; H146-F234 AromaticContact CD2-CD2 3.92Å; H146-F234 AromaticContact CD2-CE1 3.83Å; H146-F234 AromaticContact CD2-CG 3.52Å
147	P	91.1	Very high	96.3	Very high	58 Å²	58	36 Å²	36	38%	0.377	18%	0.175	S	C	.	.	S	Bend	trans	-61.6	-8.5	-178.5	20	-34.7	0	0	0	115.9	K105	K105-P147 VanDerWaalsContact CD-O 3.27Å; K105-P147 WeakPolarHBondContact CD-O 3.43Å; K105-P147 WeakPolarHBondContact CE-O 3.18Å
148	R	89.4	Confident	96.4	Very high	160 Å²	160	33.4 Å²	33.4	60%	0.604	15%	0.154	S	C	*	.	S	Bend	trans	-139.4	-36.2	-176.5	-67.6	-175.2	179.8	156.8	0.1	116.2	K105 H146	K105-R148 PolarHBondContact NZ-O 2.81Å; H146-R148 PolarHBondContact O-N 3.39Å
149	E	90.9	Very high	96.4	Very high	108 Å²	108	34.2 Å²	34.2	51%	0.505	16%	0.158	S	C	.	.	S	Bend	trans	-109.1	166.5	-170.1	-57.4	157.6	-152	0	0	110.6	H146 L151	H146-E149 IonicContact CE1-OE1 2.68Å; H146-E149 PolarHBondContact CE1-OE1 3.13Å; H146-E149 VanDerWaalsContact CE1-OE1 3.24Å; H146-E149 IonicContact CE1-OE2 2.78Å; H146-E149 VanDerWaalsContact ND1-CB 3.29Å; H146-E149 WeakPolarHBondContact ND1-CB 3.46Å; H146-E149 WeakPolarHBondContact ND1-CG 3.34Å; H146-E149 PolarHBondContact ND1-N 3.16Å; H146-E149 VanDerWaalsContact ND1-N 3.11Å; H146-E149 IonicContact ND1-OE1 2.67Å; H146-E149 IonicContact ND1-OE2 3.71Å; E149-L151 HydrophobicContact CB-CG 4.36Å; E149-L151 PolarHBondContact O-N 3.47Å
150	D	92.7	Very high	96.4	Very high	30 Å²	30	30.9 Å²	30.9	16%	0.16	15%	0.146	C	C	.	.	S	Bend	trans	-79.2	52.6	179.1	-57	-48.8	0	0	0	112.2	M166 R170	D150-M166 HydrophobicContact CB-CG 4.12Å; D150-M166 WeakPolarHBondContact O-CG 3.35Å; D150-M166 PolarHBondContact O-N 3Å; D150-R170 VanDerWaalsContact CG-CD 3.46Å; D150-R170 WeakPolarHBondContact OD1-CD 3.49Å; D150-R170 WeakPolarHBondContact OD2-CD 3.2Å; D150-R170 IonicContact OD2-CZ 3.61Å; D150-R170 IonicContact OD2-NE 3.85Å; D150-R170 IonicContact OD2-NH1 3.62Å; D150-R170 PolarHBondContact OD2-NH1 2.92Å
151	L	95.5	Very high	96.3	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.063	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.9	178.4	-60.9	179.2	0	0	0	111	H146 E149 V163 W164 D165 F234	H146-L151 HydrophobicContact CB-CB 3.92Å; H146-L151 PolarHBondContact N-O 3.46Å; E149-L151 HydrophobicContact CB-CG 4.36Å; E149-L151 PolarHBondContact O-N 3.47Å; L151-V163 HydrophobicContact CB-CG1 4.48Å; L151-V163 HydrophobicContact CD1-CG1 4.27Å; L151-V163 HydrophobicContact CD2-CG1 4.31Å; L151-W164 VanDerWaalsContact CA-O 3.27Å; L151-W164 WeakPolarHBondContact CA-O 3.44Å; L151-D165 HydrophobicContact CD2-CB 4.29Å; L151-F234 HydrophobicContact CB-CZ 4.04Å
152	I	97.6	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.8	163.6	-69.7	157.6	0	0	0	107.8	L111 I121 L133 Q144 F145 V163 W164 M166	L111-I152 HydrophobicContact CD1-CD1 3.76Å; L111-I152 HydrophobicContact CD1-CG1 4.33Å; L111-I152 HydrophobicContact CD1-CG2 4.43Å; L111-I152 HydrophobicContact CD2-CG1 4.25Å; L111-I152 HydrophobicContact CD2-CG2 3.92Å; I121-I152 HydrophobicContact CD1-CD1 3.75Å; I121-I152 HydrophobicContact CG1-CD1 4.31Å; L133-I152 HydrophobicContact CD2-CD1 4.08Å; Q144-I152 CarbonylContact O-C 3.42Å; Q144-I152 WeakPolarHBondContact O-CA 3.47Å; F145-I152 HydrophobicContact CD1-CD1 4.2Å; F145-I152 HydrophobicContact CD1-CG1 3.67Å; F145-I152 HydrophobicContact CE1-CD1 4.02Å; F145-I152 HydrophobicContact CE1-CG1 4.02Å; I152-V163 CarbonylContact O-C 3.49Å; I152-V163 WeakPolarHBondContact O-CA 3.26Å; I152-W164 HydrophobicContact CB-CB 4.27Å; I152-W164 PolarHBondContact N-O 3.45Å; I152-W164 PolarHBondContact O-N 3.29Å; I152-M166 HydrophobicContact CD1-CG 4.33Å; I152-M166 HydrophobicContact CD1-SD 3.61Å; I152-M166 HydrophobicContact CG1-CG 4.47Å; I152-M166 HydrophobicContact CG1-SD 3.71Å
153	V	97.9	Very high	96.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.2	164.7	70.9	0	0	0	0	110.2	A143 Q144 V161 R162 V163 V232 F234 V241	A143-V153 CarbonylContact C-O 3.56Å; A143-V153 VanDerWaalsContact CA-O 3.25Å; A143-V153 WeakPolarHBondContact CA-O 3.48Å; Q144-V153 HydrophobicContact CB-CG1 4.48Å; Q144-V153 PolarHBondContact N-O 2.71Å; Q144-V153 PolarHBondContact O-N 2.9Å; V153-V161 HydrophobicContact CG2-CG1 3.68Å; V153-R162 CarbonylContact C-O 3.57Å; V153-R162 VanDerWaalsContact CA-O 3.25Å; V153-R162 WeakPolarHBondContact CA-O 3.16Å; V153-R162 WeakPolarHBondContact CG2-O 3.32Å; V153-V163 HydrophobicContact CG2-CG2 4.21Å; V153-V232 HydrophobicContact CB-CG2 4.37Å; V153-V232 HydrophobicContact CG1-CG1 3.95Å; V153-V232 HydrophobicContact CG1-CG2 3.86Å; V153-V232 HydrophobicContact CG2-CG1 4.33Å; V153-V232 HydrophobicContact CG2-CG2 3.56Å; V153-F234 HydrophobicContact CB-CD2 4.17Å; V153-F234 HydrophobicContact CB-CE1 4.19Å; V153-F234 HydrophobicContact CB-CE2 3.54Å; V153-F234 HydrophobicContact CB-CZ 3.56Å; V153-F234 HydrophobicContact CG1-CD2 3.5Å; V153-F234 VanDerWaalsContact CG1-CD2 3.5Å; V153-F234 HydrophobicContact CG1-CE1 4.41Å; V153-F234 HydrophobicContact CG1-CE2 3.36Å; V153-F234 HydrophobicContact CG1-CG 4.12Å; V153-F234 HydrophobicContact CG1-CZ 3.87Å; V153-V241 HydrophobicContact CG2-CG1 4.12Å; V153-V241 HydrophobicContact CG2-CG2 4.19Å
154	S	98.3	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.9	177.6	57.3	0	0	0	0	113.1	I119 H136 C142 V161 R162 W164	I119-S154 WeakPolarHBondContact CD1-OG 3.32Å; H136-S154 PolarHBondContact NE2-OG 3.43Å; C142-S154 CarbonylContact O-C 3.55Å; C142-S154 WeakPolarHBondContact O-CA 3.5Å; S154-V161 CarbonylContact O-C 3.51Å; S154-V161 VanDerWaalsContact O-CA 3.24Å; S154-V161 WeakPolarHBondContact O-CA 3.34Å; S154-V161 WeakPolarHBondContact O-CG1 3.41Å; S154-R162 PolarHBondContact N-O 3.41Å; S154-R162 PolarHBondContact O-N 2.99Å; S154-W164 PolarHBondContact OG-NE1 3.45Å
155	A	98.1	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.9	173.7	0	0	0	0	0	109.6	V140 M141 C142 V161 V229 V232	V140-A155 CarbonylContact C-O 3.59Å; V140-A155 WeakPolarHBondContact CG1-O 3.44Å; M141-A155 PolarHBondContact N-O 3.48Å; C142-A155 HydrophobicContact CB-CB 4.42Å; C142-A155 PolarHBondContact N-O 2.86Å; C142-A155 PolarHBondContact O-N 2.98Å; A155-V161 HydrophobicContact CB-CG2 4.36Å; A155-V229 HydrophobicContact CB-CB 3.86Å; A155-V229 HydrophobicContact CB-CG1 3.6Å; A155-V232 HydrophobicContact CB-CB 3.93Å; A155-V232 HydrophobicContact CB-CG1 3.84Å
156	S	98.5	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.1	-176.3	173.1	0	0	0	0	111.6	H136 H138 Y139 D158 Q159 T160 V229	H136-S156 VanDerWaalsContact CE1-CB 3.4Å; H136-S156 WeakPolarHBondContact CE1-CB 3.36Å; H136-S156 WeakPolarHBondContact ND1-CB 3.35Å; H138-S156 PolarHBondContact O-OG 2.98Å; Y139-S156 WeakPolarHBondContact O-CA 3.33Å; Y139-S156 PolarHBondContact O-OG 2.66Å; S156-D158 VanDerWaalsContact CB-CG 3.48Å; S156-D158 WeakPolarHBondContact CB-OD1 3.36Å; S156-D158 WeakPolarHBondContact CB-OD2 3.32Å; S156-D158 PolarHBondContact O-N 2.77Å; S156-D158 PolarHBondContact OG-N 2.98Å; S156-D158 VanDerWaalsContact OG-N 3.1Å; S156-D158 PolarHBondContact OG-OD1 3.18Å; S156-D158 PolarHBondContact OG-OD2 3.08Å; S156-Q159 PolarHBondContact O-N 3.46Å; S156-T160 PolarHBondContact N-O 3.14Å; S156-V229 PolarHBondContact O-N 2.87Å
157	L	98	Very high	95.5	Very high	42 Å²	42	30.5 Å²	30.5	22%	0.22	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-7.3	169.9	-61.5	-172.5	0	0	0	113.3	H138 Y139 M141 Q159	H138-L157 HydrophobicContact CB-CB 4.16Å; H138-L157 WeakPolarHBondContact ND1-CB 3.22Å; Y139-L157 HydrophobicContact CD2-CD1 3.78Å; Y139-L157 HydrophobicContact CG-CD1 4.34Å; Y139-L157 PolarHBondContact O-N 3.29Å; M141-L157 HydrophobicContact CG-CD1 4.41Å; M141-L157 HydrophobicContact CG-CD2 3.6Å; M141-L157 HydrophobicContact CG-CG 3.65Å; M141-L157 HydrophobicContact SD-CD1 4.04Å; M141-L157 HydrophobicContact SD-CD2 4.17Å; M141-L157 HydrophobicContact SD-CG 3.93Å; L157-Q159 PolarHBondContact O-N 3.2Å; L157-Q159 VanDerWaalsContact O-N 3.08Å
158	D	97.4	Very high	95.4	Very high	25 Å²	25	29.3 Å²	29.3	13%	0.134	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	13.8	167.9	66.2	37	0	0	0	114.5	H136 S137 H138 S156 T160	H136-D158 VanDerWaalsContact CA-OD2 3.26Å; H136-D158 WeakPolarHBondContact CA-OD2 3.36Å; H136-D158 VanDerWaalsContact CB-OD2 3.24Å; H136-D158 WeakPolarHBondContact CB-OD2 3.38Å; H136-D158 IonicContact CE1-OD1 3.63Å; H136-D158 IonicContact CE1-OD2 3.95Å; H136-D158 IonicContact CG-OD2 2.73Å; H136-D158 IonicContact ND1-OD1 3.83Å; H136-D158 PolarHBondContact ND1-OD1 3.2Å; H136-D158 IonicContact ND1-OD2 2.84Å; H136-D158 PolarHBondContact ND1-OD2 3.47Å; S137-D158 PolarHBondContact N-OD2 3.24Å; S137-D158 WeakPolarHBondContact OG-CB 3.38Å; H138-D158 HydrophobicContact CB-CB 3.96Å; S156-D158 VanDerWaalsContact CB-CG 3.48Å; S156-D158 WeakPolarHBondContact CB-OD1 3.36Å; S156-D158 WeakPolarHBondContact CB-OD2 3.32Å; S156-D158 PolarHBondContact O-N 2.77Å; S156-D158 PolarHBondContact OG-N 2.98Å; S156-D158 VanDerWaalsContact OG-N 3.1Å; S156-D158 PolarHBondContact OG-OD1 3.18Å; S156-D158 PolarHBondContact OG-OD2 3.08Å; D158-T160 PolarHBondContact O-N 3.37Å; D158-T160 VanDerWaalsContact O-N 3.09Å; D158-T160 WeakPolarHBondContact OD1-CB 3.25Å; D158-T160 PolarHBondContact OD1-N 2.69Å; D158-T160 VanDerWaalsContact OD1-N 3.08Å; D158-T160 PolarHBondContact OD1-OG1 3.3Å
159	Q	97.8	Very high	95.3	Very high	95 Å²	95	21.7 Å²	21.7	44%	0.444	12%	0.117	S	C	.	.	S	Bend	trans	70.4	-6.5	177.8	-41.2	179.4	5.7	0	0	114.2	S156 L157	S156-Q159 PolarHBondContact O-N 3.46Å; L157-Q159 PolarHBondContact O-N 3.2Å; L157-Q159 VanDerWaalsContact O-N 3.08Å
160	T	97.2	Very high	95	Very high	12 Å²	12	20.3 Å²	20.3	7%	0.074	11%	0.107	C	C	.	.			trans	-93.6	145.6	179.5	77.2	0	0	0	0	113.1	H136 S156 D158 R162 V221 E223	H136-T160 PolarHBondContact CE1-OG1 2.98Å; H136-T160 PolarHBondContact ND1-OG1 3.17Å; S156-T160 PolarHBondContact N-O 3.14Å; D158-T160 PolarHBondContact O-N 3.37Å; D158-T160 VanDerWaalsContact O-N 3.09Å; D158-T160 WeakPolarHBondContact OD1-CB 3.25Å; D158-T160 PolarHBondContact OD1-N 2.69Å; D158-T160 VanDerWaalsContact OD1-N 3.08Å; D158-T160 PolarHBondContact OD1-OG1 3.3Å; T160-R162 PolarHBondContact OG1-NE 2.89Å; T160-R162 VanDerWaalsContact OG1-NE 3.13Å; T160-V221 HydrophobicContact CG2-CG1 4Å; T160-E223 HydrophobicContact CG2-CG 4.1Å
161	V	97.9	Very high	94.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.8	158.1	170.8	0	0	0	0	107.7	V153 S154 A155 L222 V229 V232 V241	V153-V161 HydrophobicContact CG2-CG1 3.68Å; S154-V161 CarbonylContact O-C 3.51Å; S154-V161 VanDerWaalsContact O-CA 3.24Å; S154-V161 WeakPolarHBondContact O-CA 3.34Å; S154-V161 WeakPolarHBondContact O-CG1 3.41Å; A155-V161 HydrophobicContact CB-CG2 4.36Å; V161-L222 HydrophobicContact CB-CB 4.12Å; V161-L222 HydrophobicContact CB-CD1 4.16Å; V161-L222 HydrophobicContact CB-CG 4.37Å; V161-L222 HydrophobicContact CG1-CD1 3.8Å; V161-L222 HydrophobicContact CG1-CG 4.37Å; V161-L222 PolarHBondContact N-O 3.32Å; V161-L222 WeakPolarHBondContact O-CB 3.32Å; V161-L222 PolarHBondContact O-N 3.48Å; V161-V229 HydrophobicContact CG2-CB 4.37Å; V161-V229 HydrophobicContact CG2-CG1 3.85Å; V161-V229 HydrophobicContact CG2-CG2 4.26Å; V161-V232 HydrophobicContact CG1-CG2 3.88Å; V161-V241 HydrophobicContact CG1-CG1 4.32Å
162	R	97.6	Very high	93.8	Very high	36 Å²	36	31.9 Å²	31.9	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.7	-178.6	-63.8	-173.8	-170.1	-165.1	12.3	111.8	G135 V153 S154 T160 W164 H220 V221	G135-R162 PolarHBondContact O-NH1 2.94Å; G135-R162 PolarHBondContact O-NH2 2.89Å; V153-R162 CarbonylContact C-O 3.57Å; V153-R162 VanDerWaalsContact CA-O 3.25Å; V153-R162 WeakPolarHBondContact CA-O 3.16Å; V153-R162 WeakPolarHBondContact CG2-O 3.32Å; S154-R162 PolarHBondContact N-O 3.41Å; S154-R162 PolarHBondContact O-N 2.99Å; T160-R162 PolarHBondContact OG1-NE 2.89Å; T160-R162 VanDerWaalsContact OG1-NE 3.13Å; R162-W164 HydrophobicContact CB-CZ2 4.2Å; R162-H220 WeakPolarHBondContact CA-O 3.42Å; R162-V221 HydrophobicContact CG-CG1 4.21Å; R162-V221 HydrophobicContact CG-CG2 4.29Å
163	V	97.1	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129	172.1	-173.8	0	0	0	0	107.2	L151 I152 V153 R219 H220 M255	L151-V163 HydrophobicContact CB-CG1 4.48Å; L151-V163 HydrophobicContact CD1-CG1 4.27Å; L151-V163 HydrophobicContact CD2-CG1 4.31Å; I152-V163 CarbonylContact O-C 3.49Å; I152-V163 WeakPolarHBondContact O-CA 3.26Å; V153-V163 HydrophobicContact CG2-CG2 4.21Å; V163-R219 WeakPolarHBondContact O-CA 3.42Å; V163-R219 WeakPolarHBondContact O-CB 3.26Å; V163-R219 PolarHBondContact O-N 2.93Å; V163-H220 HydrophobicContact CB-CB 4.1Å; V163-H220 HydrophobicContact CG2-CB 4.23Å; V163-H220 PolarHBondContact N-O 2.98Å; V163-H220 PolarHBondContact O-N 3.18Å; V163-H220 VanDerWaalsContact O-N 3.13Å; V163-M255 HydrophobicContact CB-CE 4.37Å; V163-M255 HydrophobicContact CG1-CE 3.85Å; V163-M255 HydrophobicContact CG2-CE 3.65Å
164	W	96.8	Very high	91	Very high	5 Å²	5	38 Å²	38	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.6	-176.1	-47.5	72.6	0	0	0	109.5	I119 L133 T134 H136 L151 I152 S154 R162 V216 I217 V218	I119-W164 HydrophobicContact CD1-CZ2 3.84Å; L133-W164 HydrophobicContact CB-CE3 4.09Å; L133-W164 HydrophobicContact CB-CH2 4.21Å; L133-W164 HydrophobicContact CB-CZ3 3.89Å; L133-W164 HydrophobicContact CD2-CB 4.37Å; L133-W164 HydrophobicContact CD2-CD2 3.89Å; L133-W164 HydrophobicContact CD2-CE3 3.99Å; L133-W164 HydrophobicContact CD2-CG 4.06Å; L133-W164 HydrophobicContact CG-CD2 4.47Å; L133-W164 HydrophobicContact CG-CE3 4.06Å; L133-W164 HydrophobicContact CG-CZ3 4.35Å; T134-W164 WeakPolarHBondContact O-CH2 3.44Å; T134-W164 WeakPolarHBondContact O-CZ3 3.28Å; H136-W164 AromaticContact CD2-CZ2 3.87Å; L151-W164 VanDerWaalsContact CA-O 3.27Å; L151-W164 WeakPolarHBondContact CA-O 3.44Å; I152-W164 HydrophobicContact CB-CB 4.27Å; I152-W164 PolarHBondContact N-O 3.45Å; I152-W164 PolarHBondContact O-N 3.29Å; S154-W164 PolarHBondContact OG-NE1 3.45Å; R162-W164 HydrophobicContact CB-CZ2 4.2Å; W164-V216 HydrophobicContact CB-CG1 3.97Å; W164-I217 CarbonylContact C-O 3.58Å; W164-I217 WeakPolarHBondContact CA-O 3.41Å; W164-V218 HydrophobicContact CD2-CG2 4.16Å; W164-V218 HydrophobicContact CE3-CB 4.5Å; W164-V218 HydrophobicContact CE3-CG2 3.58Å; W164-V218 HydrophobicContact CH2-CG2 3.74Å; W164-V218 HydrophobicContact CZ2-CG2 4.29Å; W164-V218 HydrophobicContact CZ3-CG2 3.35Å
165	D	93.7	Very high	88.7	Confident	24 Å²	24	40.9 Å²	40.9	13%	0.128	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.7	172.3	-160.3	-61.7	0	0	0	110.1	L151 S167 V216 I217 R219	L151-D165 HydrophobicContact CD2-CB 4.29Å; D165-S167 WeakPolarHBondContact OD1-CB 3.3Å; D165-S167 PolarHBondContact OD1-N 2.9Å; D165-S167 PolarHBondContact OD1-OG 3.44Å; D165-V216 VanDerWaalsContact O-CA 3.28Å; D165-V216 WeakPolarHBondContact O-CA 3.26Å; D165-V216 WeakPolarHBondContact O-CG1 3.03Å; D165-I217 HydrophobicContact CB-CG1 4.04Å; D165-I217 PolarHBondContact N-O 3.1Å; D165-I217 PolarHBondContact O-N 3.47Å; D165-R219 HydrophobicContact CB-CB 4.31Å; D165-R219 IonicContact OD2-CZ 2.74Å; D165-R219 IonicContact OD2-NH1 2.94Å; D165-R219 PolarHBondContact OD2-NH1 2.93Å
166	M	93.3	Very high	85.9	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	25%	0.25	C	C	.	.			trans	-113.9	16.3	-179.5	52.7	166.9	-80.6	0	0	112.3	W109 F145 D150 I152 G168 L169 R170 V216	W109-M166 HydrophobicContact CE3-CE 3.95Å; W109-M166 HydrophobicContact CH2-CE 4.37Å; W109-M166 HydrophobicContact CZ3-CE 3.41Å; W109-M166 VanDerWaalsContact CZ3-CE 3.41Å; F145-M166 HydrophobicContact CD1-CE 4.5Å; F145-M166 HydrophobicContact CD1-SD 3.76Å; F145-M166 HydrophobicContact CE1-CE 4.19Å; F145-M166 HydrophobicContact CE1-SD 3.72Å; D150-M166 HydrophobicContact CB-CG 4.12Å; D150-M166 WeakPolarHBondContact O-CG 3.35Å; D150-M166 PolarHBondContact O-N 3Å; I152-M166 HydrophobicContact CD1-CG 4.33Å; I152-M166 HydrophobicContact CD1-SD 3.61Å; I152-M166 HydrophobicContact CG1-CG 4.47Å; I152-M166 HydrophobicContact CG1-SD 3.71Å; M166-G168 VanDerWaalsContact C-N 3.26Å; M166-G168 PolarHBondContact O-N 3.28Å; M166-L169 PolarHBondContact O-N 3.47Å; M166-R170 PolarHBondContact O-N 2.78Å; M166-V216 HydrophobicContact CB-CG1 4.07Å; M166-V216 HydrophobicContact CB-CG2 3.87Å
167	S	89.7	Confident	83.2	Confident	32 Å²	32	51.7 Å²	51.7	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-27.1	178.4	66.9	0	0	0	0	112.8	D165 K171	D165-S167 WeakPolarHBondContact OD1-CB 3.3Å; D165-S167 PolarHBondContact OD1-N 2.9Å; D165-S167 PolarHBondContact OD1-OG 3.44Å; S167-K171 VanDerWaalsContact O-CG 3.28Å; S167-K171 WeakPolarHBondContact O-CG 3.24Å; S167-K171 PolarHBondContact O-N 2.97Å; S167-K171 VanDerWaalsContact O-N 3.1Å
168	G	87.4	Confident	80.5	Confident	32 Å²	32	54.2 Å²	54.2	33%	0.33	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-56.6	171.2	0	0	0	0	0	111.9	M166 R170 K171 K172	M166-G168 VanDerWaalsContact C-N 3.26Å; M166-G168 PolarHBondContact O-N 3.28Å; G168-R170 VanDerWaalsContact C-N 3.26Å; G168-R170 PolarHBondContact O-N 3.14Å; G168-K171 WeakPolarHBondContact O-CB 3.28Å; G168-K171 PolarHBondContact O-N 3.48Å; G168-K171 VanDerWaalsContact O-N 3.1Å; G168-K172 PolarHBondContact O-N 3.4Å
169	L	87.8	Confident	77.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-52.1	-43.2	174.3	171.3	60.7	0	0	0	112.4	W109 I121 V130 M166 K172 S173 E215 V216	W109-L169 HydrophobicContact CH2-CD2 4.36Å; W109-L169 HydrophobicContact CH2-CG 4.07Å; W109-L169 HydrophobicContact CZ2-CD2 4.5Å; W109-L169 HydrophobicContact CZ2-CG 4.24Å; I121-L169 HydrophobicContact CD1-CD2 3.5Å; I121-L169 VanDerWaalsContact CD1-CD2 3.5Å; I121-L169 HydrophobicContact CG2-CD2 4.39Å; V130-L169 HydrophobicContact CG1-CD1 3.41Å; V130-L169 VanDerWaalsContact CG1-CD1 3.41Å; V130-L169 HydrophobicContact CG1-CD2 4.01Å; V130-L169 HydrophobicContact CG1-CG 4.25Å; M166-L169 PolarHBondContact O-N 3.47Å; L169-K172 PolarHBondContact O-N 2.92Å; L169-S173 VanDerWaalsContact CD1-OG 3.24Å; L169-S173 WeakPolarHBondContact CD1-OG 3.03Å; L169-S173 VanDerWaalsContact O-CB 3.24Å; L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.22Å; L169-S173 PolarHBondContact O-OG 3.08Å; L169-E215 HydrophobicContact CB-CB 3.95Å; L169-E215 WeakPolarHBondContact CD1-OE2 3.13Å; L169-E215 PolarHBondContact N-O 2.78Å; L169-V216 HydrophobicContact CB-CG2 3.83Å; L169-V216 HydrophobicContact CD2-CG2 3.78Å; L169-V216 HydrophobicContact CG-CG2 4.43Å
170	R	84.8	Confident	75.2	Confident	80 Å²	80	58.1 Å²	58.1	30%	0.302	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-46.4	177	-163.1	-158.8	102.7	-128.7	-0.7	112.5	Y107 D150 M166 G168 S173 V174	Y107-R170 HydrophobicContact CD2-CG 4.44Å; Y107-R170 HydrophobicContact CE2-CG 3.61Å; Y107-R170 VanDerWaalsContact OH-CD 3.31Å; Y107-R170 WeakPolarHBondContact OH-CD 3.33Å; D150-R170 VanDerWaalsContact CG-CD 3.46Å; D150-R170 WeakPolarHBondContact OD1-CD 3.49Å; D150-R170 WeakPolarHBondContact OD2-CD 3.2Å; D150-R170 IonicContact OD2-CZ 3.61Å; D150-R170 IonicContact OD2-NE 3.85Å; D150-R170 IonicContact OD2-NH1 3.62Å; D150-R170 PolarHBondContact OD2-NH1 2.92Å; M166-R170 PolarHBondContact O-N 2.78Å; G168-R170 VanDerWaalsContact C-N 3.26Å; G168-R170 PolarHBondContact O-N 3.14Å; R170-S173 PolarHBondContact O-N 2.99Å; R170-V174 HydrophobicContact CG-CG2 4.32Å; R170-V174 WeakPolarHBondContact O-CB 3.27Å; R170-V174 WeakPolarHBondContact O-CG2 3.4Å; R170-V174 PolarHBondContact O-N 3Å; R170-V174 VanDerWaalsContact O-N 3.11Å
171	K	83.1	Confident	72.5	Confident	134 Å²	134	61.6 Å²	61.6	58%	0.583	37%	0.367	S	S	*	.	H	α-helix	trans	-59.5	-47.9	176.9	-71.2	165.8	-173.4	175.7	0	110.7	S167 G168 A175	S167-K171 VanDerWaalsContact O-CG 3.28Å; S167-K171 WeakPolarHBondContact O-CG 3.24Å; S167-K171 PolarHBondContact O-N 2.97Å; S167-K171 VanDerWaalsContact O-N 3.1Å; G168-K171 WeakPolarHBondContact O-CB 3.28Å; G168-K171 PolarHBondContact O-N 3.48Å; G168-K171 VanDerWaalsContact O-N 3.1Å; K171-A175 WeakPolarHBondContact O-CB 3.35Å; K171-A175 PolarHBondContact O-N 3.08Å
172	K	79	Confident	69.9	Low	151 Å²	151	67.7 Å²	67.7	66%	0.657	40%	0.398	S	S	*	.	H	α-helix	trans	-65.3	-41.6	-179.8	-171	-178.9	179.7	178	0	113.4	G168 L169 E215	G168-K172 PolarHBondContact O-N 3.4Å; L169-K172 PolarHBondContact O-N 2.92Å; K172-E215 HydrophobicContact CD-CG 4.38Å; K172-E215 VanDerWaalsContact CD-OE1 3.27Å; K172-E215 WeakPolarHBondContact CD-OE1 3.35Å; K172-E215 WeakPolarHBondContact CE-OE1 3.29Å; K172-E215 IonicContact NZ-OE1 2.63Å; K172-E215 PolarHBondContact NZ-OE1 3.19Å
173	S	72.3	Confident	67.6	Low	60 Å²	60	73.4 Å²	73.4	42%	0.42	43%	0.426	S	S	.	.	H	α-helix	trans	-88.3	-16	-170.5	-60.3	0	0	0	0	115.5	L169 R170	L169-S173 VanDerWaalsContact CD1-OG 3.24Å; L169-S173 WeakPolarHBondContact CD1-OG 3.03Å; L169-S173 VanDerWaalsContact O-CB 3.24Å; L169-S173 WeakPolarHBondContact O-CB 3.47Å; L169-S173 PolarHBondContact O-N 3.22Å; L169-S173 PolarHBondContact O-OG 3.08Å; R170-S173 PolarHBondContact O-N 2.99Å
174	V	65.4	Low	65.2	Low	68 Å²	68	79 Å²	79	41%	0.412	46%	0.456	S	S	.	.	H	α-helix	trans	-126.8	-12.1	-168.7	-167.8	0	0	0	0	113.1	Y107 W109 R170	Y107-V174 HydrophobicContact CD1-CG1 4.13Å; Y107-V174 HydrophobicContact CD1-CG2 3.93Å; Y107-V174 HydrophobicContact CE1-CB 4.5Å; Y107-V174 HydrophobicContact CE1-CG1 3.78Å; Y107-V174 HydrophobicContact CE1-CG2 4.06Å; Y107-V174 HydrophobicContact CG-CG2 4.35Å; W109-V174 HydrophobicContact CH2-CG2 4.36Å; W109-V174 HydrophobicContact CZ2-CG2 4.49Å; R170-V174 HydrophobicContact CG-CG2 4.32Å; R170-V174 WeakPolarHBondContact O-CB 3.27Å; R170-V174 WeakPolarHBondContact O-CG2 3.4Å; R170-V174 PolarHBondContact O-N 3Å; R170-V174 VanDerWaalsContact O-N 3.11Å
175	A	49.5	Very low	62.6	Low	60 Å²	60	86.1 Å²	86.1	50%	0.496	49%	0.489	S	S	.	.	S	Bend	trans	-64.2	135.2	176.7	0	0	0	0	0	111.6	K171 S177	K171-A175 WeakPolarHBondContact O-CB 3.35Å; K171-A175 PolarHBondContact O-N 3.08Å; A175-S177 PolarHBondContact O-N 3.19Å
176	P	39.9	Very low	60	Low	102 Å²	102	89.5 Å²	89.5	66%	0.662	52%	0.515	S	S	*	.			trans	-64.9	127.7	172	27.3	-33	0	0	0	109.6	S178	P176-S178 PolarHBondContact O-N 3.32Å
177	S	41.6	Very low	57.6	Low	126 Å²	126	99.6 Å²	99.6	88%	0.881	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	51.4	-166.7	59.3	0	0	0	0	113.9	A175	A175-S177 PolarHBondContact O-N 3.19Å
178	S	40.9	Very low	55.2	Low	94 Å²	94	106.2 Å²	106.2	66%	0.657	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.1	2.6	-174.6	66.7	0	0	0	0	115.9	P176	P176-S178 PolarHBondContact O-N 3.32Å
179	L	41.4	Very low	52.8	Low	128 Å²	128	114 Å²	114	67%	0.67	61%	0.605	S	S	*	*	S	Bend	trans	-135.2	-24.2	-175.4	-98.1	162.7	0	0	0	116.7	S181	L179-S181 PolarHBondContact O-N 3.41Å
180	S	42.4	Very low	50.2	Low	74 Å²	74	120 Å²	120	52%	0.517	64%	0.642	S	S	.	*	H	α-helix	trans	-72.1	-29.6	-176.6	52.9	0	0	0	0	114.4	I182	S180-I182 PolarHBondContact O-N 2.85Å; S180-I182 VanDerWaalsContact O-N 3.14Å
181	S	41.2	Very low	47.6	Very low	85 Å²	85	119.8 Å²	119.8	59%	0.594	66%	0.664	S	S	*	*	H	α-helix	trans	-66.9	-17	-173.3	-50.3	0	0	0	0	114.8	L179 H185	L179-S181 PolarHBondContact O-N 3.41Å; S181-H185 PolarHBondContact O-ND1 3.08Å
182	I	44.1	Very low	45.2	Very low	130 Å²	130	118.5 Å²	118.5	67%	0.667	67%	0.672	S	S	*	*	H	α-helix	trans	-87.1	-35.6	-175.2	-66.3	177.9	0	0	0	112.1	S180	S180-I182 PolarHBondContact O-N 2.85Å; S180-I182 VanDerWaalsContact O-N 3.14Å
183	E	48.5	Very low	42.8	Very low	155 Å²	155	116.9 Å²	116.9	72%	0.724	68%	0.68	S	S	*	*	H	α-helix	trans	-75.6	-41.1	-177.5	-66.5	-163.6	124.2	0	0	112.8	H185 S186	E183-H185 VanDerWaalsContact C-N 3.32Å; E183-H185 PolarHBondContact O-N 3.1Å; E183-S186 WeakPolarHBondContact O-CB 3.3Å; E183-S186 PolarHBondContact O-N 3.16Å
184	D	45.5	Very low	41	Very low	119 Å²	119	117.9 Å²	117.9	64%	0.636	70%	0.699	S	S	*	*	H	α-helix	trans	-66.5	-31.9	-179.1	-75.9	-32.6	0	0	0	113	S186	D184-S186 VanDerWaalsContact C-N 3.29Å; D184-S186 PolarHBondContact O-N 2.85Å
185	H	42.8	Very low	39.2	Very low	154 Å²	154	121.1 Å²	121.1	71%	0.713	73%	0.725	S	S	*	*	H	α-helix	trans	-70.8	-23.9	176.8	-79.7	66.4	0	0	0	112.8	S181 E183 R187	S181-H185 PolarHBondContact O-ND1 3.08Å; E183-H185 VanDerWaalsContact C-N 3.32Å; E183-H185 PolarHBondContact O-N 3.1Å; H185-R187 VanDerWaalsContact C-N 3.29Å; H185-R187 PolarHBondContact O-N 2.96Å
186	S	40	Very low	38.1	Very low	94 Å²	94	121.4 Å²	121.4	66%	0.657	73%	0.734	S	S	*	*	H	α-helix	trans	-73.4	-19	-176.7	-162.8	0	0	0	0	113.4	E183 D184	E183-S186 WeakPolarHBondContact O-CB 3.3Å; E183-S186 PolarHBondContact O-N 3.16Å; D184-S186 VanDerWaalsContact C-N 3.29Å; D184-S186 PolarHBondContact O-N 2.85Å
187	R	42.5	Very low	37.6	Very low	213 Å²	213	123.5 Å²	123.5	80%	0.804	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-4.7	-174.3	-67	-171.6	176.1	-164.3	-0.9	116	H185	H185-R187 VanDerWaalsContact C-N 3.29Å; H185-R187 PolarHBondContact O-N 2.96Å
188	H	39.5	Very low	36.9	Very low	171 Å²	171	123.3 Å²	123.3	79%	0.792	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-0.9	-178.2	-87.3	89.7	0	0	0	115.3
189	F	36.3	Very low	36.5	Very low	197 Å²	197	122.7 Å²	122.7	86%	0.864	75%	0.751	S	S	*	*	S	Bend	trans	-100.4	5.7	-176.3	-124.2	-84.2	0	0	0	115.9
190	T	33.6	Very low	35.8	Very low	126 Å²	126	121 Å²	121	77%	0.773	75%	0.75	S	S	*	*			trans	-102.3	51	174.1	58.4	0	0	0	0	112	S192	T190-S192 PolarHBondContact O-N 3.08Å
191	G	30.4	Very low	35.2	Very low	74 Å²	74	124.6 Å²	124.6	76%	0.763	76%	0.764	S	S	*	*			trans	-84.4	92.6	178.2	0	0	0	0	0	112.9	S193	G191-S193 PolarHBondContact O-N 2.73Å
192	S	32.1	Very low	34.5	Very low	108 Å²	108	127.4 Å²	127.4	76%	0.755	77%	0.771	S	S	*	*			trans	-84.3	95	176.9	61.1	0	0	0	0	112.7	T190	T190-S192 PolarHBondContact O-N 3.08Å
193	S	28.7	Very low	33.8	Very low	117 Å²	117	131.7 Å²	131.7	82%	0.818	79%	0.785	S	S	*	*			trans	36.1	93.8	143.8	60.3	0	0	0	0	118.5	G191	G191-S193 PolarHBondContact O-N 2.73Å
194	G	33.8	Very low	32.8	Very low	80 Å²	80	127.8 Å²	127.8	83%	0.825	79%	0.787	S	S	*	*			trans	-130.2	120.6	159.4	0	0	0	0	0	110
195	S	27.4	Very low	32.3	Very low	136 Å²	136	127.9 Å²	127.9	95%	0.951	79%	0.794	S	S	*	*			trans	-89	141.5	-174.3	-173.5	0	0	0	0	112.2
196	G	27.6	Very low	31.6	Very low	66 Å²	66	125.7 Å²	125.7	68%	0.68	80%	0.796	S	S	*	*			trans	177.4	70.9	179.7	0	0	0	0	0	117.8
197	V	30.1	Very low	31.1	Very low	147 Å²	147	129.1 Å²	129.1	89%	0.891	80%	0.801	S	S	*	*			trans	61.8	122.3	156.3	-172.3	0	0	0	0	118.6
198	S	27	Very low	30.6	Very low	122 Å²	122	125.2 Å²	125.2	85%	0.853	80%	0.801	S	S	*	*			trans	-74.9	135.6	176	-50.8	0	0	0	0	113.8
199	G	31.7	Very low	30.1	Very low	80 Å²	80	126 Å²	126	83%	0.825	81%	0.806	S	S	*	*			trans	-129.9	89.2	165.1	0	0	0	0	0	110.9
200	S	27.5	Very low	30.3	Very low	93 Å²	93	123 Å²	123	65%	0.65	80%	0.798	S	S	*	*			trans	-80.6	127.4	179.6	-179.4	0	0	0	0	111.4
201	N	28.5	Very low	30.3	Very low	150 Å²	150	126.4 Å²	126.4	80%	0.802	80%	0.802	S	S	*	*				-173.2	145.8	110.9	-87.1	-15.9	0	0	0	112.2
202	L	26.8	Very low	30.8	Very low	144 Å²	144	125.8 Å²	125.8	75%	0.754	80%	0.796	S	S	*	*			trans	-75.9	147.7	174.4	-69.3	64.2	0	0	0	110.1
203	F	29.4	Very low	31.6	Very low	219 Å²	219	126.9 Å²	126.9	96%	0.961	80%	0.798	S	S	*	*			trans	166.1	132.6	130.5	-85.5	-57.1	0	0	0	110.9
204	G	27.4	Very low	33.1	Very low	73 Å²	73	126.7 Å²	126.7	75%	0.753	79%	0.792	S	S	*	*			trans	107.1	131.2	172.7	0	0	0	0	0	114.7
205	P	35.2	Very low	35.3	Very low	121 Å²	121	125.3 Å²	125.3	79%	0.786	76%	0.764	S	S	*	*			trans	-96.6	138.2	-166	36	-35.4	0	0	0	116
206	S	27.7	Very low	38.3	Very low	109 Å²	109	119.6 Å²	119.6	76%	0.762	72%	0.723	S	S	*	*			trans	30.7	102.8	144.7	61.1	0	0	0	0	119.2
207	H	30.8	Very low	41.4	Very low	165 Å²	165	120.7 Å²	120.7	76%	0.764	71%	0.713	S	S	*	*			trans	-132.1	31.7	167.5	-155.8	-68.8	0	0	0	112.6
208	T	31.1	Very low	44.3	Very low	132 Å²	132	116.4 Å²	116.4	81%	0.81	69%	0.687	S	S	*	*			trans	-128.3	32.1	-163.9	51.8	0	0	0	0	115
209	E	30	Very low	47.4	Very low	188 Å²	188	114.6 Å²	114.6	88%	0.879	66%	0.661	S	S	*	*			trans	-112.1	14.6	168.1	-67.2	-163	146.9	0	0	113.2	F211	E209-F211 PolarHBondContact O-N 2.99Å
210	L	39.4	Very low	50.4	Low	134 Å²	134	111.8 Å²	111.8	70%	0.702	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-13.5	-173.7	-163.4	63.1	0	0	0	114.4
211	F	34.7	Very low	53.7	Low	196 Å²	196	110.2 Å²	110.2	86%	0.86	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	55.6	179.7	-62.5	-68.6	0	0	0	112	E209	E209-F211 PolarHBondContact O-N 2.99Å
212	G	40.8	Very low	56.9	Low	61 Å²	61	103.3 Å²	103.3	63%	0.629	58%	0.576	S	S	*	*			trans	-56.2	140.6	168.5	0	0	0	0	0	111.6	T214	G212-T214 PolarHBondContact O-N 2.95Å
213	T	47.8	Very low	60.1	Low	132 Å²	132	103.1 Å²	103.1	81%	0.81	57%	0.571	S	S	*	*			trans	-56.9	127.4	-177.1	33.6	0	0	0	0	111.9	E215	T213-E215 PolarHBondContact O-N 3.46Å
214	T	61	Low	63	Low	112 Å²	112	94.5 Å²	94.5	69%	0.687	55%	0.545	S	S	*	.			trans	-65.5	105.1	180	33.3	0	0	0	0	110.8	G212 V216	G212-T214 PolarHBondContact O-N 2.95Å; T214-V216 PolarHBondContact O-N 3.41Å
215	E	80.6	Confident	66.3	Low	52 Å²	52	91.3 Å²	91.3	24%	0.243	51%	0.51	C	S	.	.	S	Bend	trans	-66.9	-19.7	-172.1	-54.6	-177.2	-165.3	0	0	113.9	L169 K172 T213	L169-E215 HydrophobicContact CB-CB 3.95Å; L169-E215 WeakPolarHBondContact CD1-OE2 3.13Å; L169-E215 PolarHBondContact N-O 2.78Å; K172-E215 HydrophobicContact CD-CG 4.38Å; K172-E215 VanDerWaalsContact CD-OE1 3.27Å; K172-E215 WeakPolarHBondContact CD-OE1 3.35Å; K172-E215 WeakPolarHBondContact CE-OE1 3.29Å; K172-E215 IonicContact NZ-OE1 2.63Å; K172-E215 PolarHBondContact NZ-OE1 3.19Å; T213-E215 PolarHBondContact O-N 3.46Å
216	V	89.4	Confident	69.2	Low	15 Å²	15	91.3 Å²	91.3	9%	0.091	50%	0.503	C	S	.	.	S	Bend	trans	-130.6	128.6	172.9	-174.3	0	0	0	0	107.7	I121 L133 W164 D165 M166 L169 T214	I121-V216 HydrophobicContact CD1-CG2 4.26Å; L133-V216 HydrophobicContact CD1-CB 4.12Å; L133-V216 HydrophobicContact CD1-CG1 4.1Å; L133-V216 HydrophobicContact CD1-CG2 4.19Å; L133-V216 HydrophobicContact CD2-CG1 3.84Å; L133-V216 HydrophobicContact CG-CB 4.16Å; L133-V216 HydrophobicContact CG-CG1 3.78Å; W164-V216 HydrophobicContact CB-CG1 3.97Å; D165-V216 VanDerWaalsContact O-CA 3.28Å; D165-V216 WeakPolarHBondContact O-CA 3.26Å; D165-V216 WeakPolarHBondContact O-CG1 3.03Å; M166-V216 HydrophobicContact CB-CG1 4.07Å; M166-V216 HydrophobicContact CB-CG2 3.87Å; L169-V216 HydrophobicContact CB-CG2 3.83Å; L169-V216 HydrophobicContact CD2-CG2 3.78Å; L169-V216 HydrophobicContact CG-CG2 4.43Å; T214-V216 PolarHBondContact O-N 3.41Å
217	I	91.8	Very high	72.5	Confident	89 Å²	89	92.3 Å²	92.3	46%	0.456	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.8	-176	57.5	172.1	0	0	0	111.8	W164 D165 R219	W164-I217 CarbonylContact C-O 3.58Å; W164-I217 WeakPolarHBondContact CA-O 3.41Å; D165-I217 HydrophobicContact CB-CG1 4.04Å; D165-I217 PolarHBondContact N-O 3.1Å; D165-I217 PolarHBondContact O-N 3.47Å; I217-R219 PolarHBondContact O-N 3.09Å
218	V	92.5	Very high	75.7	Confident	58 Å²	58	84.9 Å²	84.9	35%	0.352	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	121.1	167.7	-179.1	0	0	0	0	108.3	W164 V221	W164-V218 HydrophobicContact CD2-CG2 4.16Å; W164-V218 HydrophobicContact CE3-CB 4.5Å; W164-V218 HydrophobicContact CE3-CG2 3.58Å; W164-V218 HydrophobicContact CH2-CG2 3.74Å; W164-V218 HydrophobicContact CZ2-CG2 4.29Å; W164-V218 HydrophobicContact CZ3-CG2 3.35Å; V218-V221 HydrophobicContact CG1-CG2 3.64Å
219	R	92.4	Very high	78.9	Confident	83 Å²	83	78.6 Å²	78.6	31%	0.313	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-44.4	179.7	-171.9	177.6	-175	140.9	5.1	111.9	V163 D165 I217 E257	V163-R219 WeakPolarHBondContact O-CA 3.42Å; V163-R219 WeakPolarHBondContact O-CB 3.26Å; V163-R219 PolarHBondContact O-N 2.93Å; D165-R219 HydrophobicContact CB-CB 4.31Å; D165-R219 IonicContact OD2-CZ 2.74Å; D165-R219 IonicContact OD2-NH1 2.94Å; D165-R219 PolarHBondContact OD2-NH1 2.93Å; I217-R219 PolarHBondContact O-N 3.09Å; R219-E257 PolarHBondContact NE-O 2.91Å; R219-E257 PolarHBondContact NH2-O 2.84Å
220	H	94.7	Very high	82.1	Confident	21 Å²	21	70.7 Å²	70.7	10%	0.097	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140	175.1	-58.8	-60.3	0	0	0	109.9	R162 V163 L222 T256 K259 A260	R162-H220 WeakPolarHBondContact CA-O 3.42Å; V163-H220 HydrophobicContact CB-CB 4.1Å; V163-H220 HydrophobicContact CG2-CB 4.23Å; V163-H220 PolarHBondContact N-O 2.98Å; V163-H220 PolarHBondContact O-N 3.18Å; V163-H220 VanDerWaalsContact O-N 3.13Å; H220-L222 HydrophobicContact CB-CD2 4Å; H220-T256 PolarHBondContact NE2-O 3.39Å; H220-K259 PolarHBondContact CE1-N 3.27Å; H220-A260 HydrophobicContact CB-CB 4.11Å
221	V	95.8	Very high	85	Confident	61 Å²	61	66.1 Å²	66.1	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.7	162.5	-172.9	0	0	0	0	106.9	T160 R162 V218 E223	T160-V221 HydrophobicContact CG2-CG1 4Å; R162-V221 HydrophobicContact CG-CG1 4.21Å; R162-V221 HydrophobicContact CG-CG2 4.29Å; V218-V221 HydrophobicContact CG1-CG2 3.64Å; V221-E223 HydrophobicContact CG1-CG 3.85Å
222	L	95.2	Very high	88	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.6	179.9	-39.8	-178.7	0	0	0	107.6	V161 H220 W253 A260	V161-L222 HydrophobicContact CB-CB 4.12Å; V161-L222 HydrophobicContact CB-CD1 4.16Å; V161-L222 HydrophobicContact CB-CG 4.37Å; V161-L222 HydrophobicContact CG1-CD1 3.8Å; V161-L222 HydrophobicContact CG1-CG 4.37Å; V161-L222 PolarHBondContact N-O 3.32Å; V161-L222 WeakPolarHBondContact O-CB 3.32Å; V161-L222 PolarHBondContact O-N 3.48Å; H220-L222 HydrophobicContact CB-CD2 4Å; L222-W253 HydrophobicContact CB-CD2 4.1Å; L222-W253 HydrophobicContact CB-CE3 3.84Å; L222-W253 HydrophobicContact CB-CH2 4.19Å; L222-W253 HydrophobicContact CB-CZ2 4.42Å; L222-W253 HydrophobicContact CB-CZ3 3.89Å; L222-W253 HydrophobicContact CD1-CB 3.93Å; L222-W253 HydrophobicContact CD1-CD2 3.84Å; L222-W253 HydrophobicContact CD1-CE3 4.17Å; L222-W253 HydrophobicContact CD1-CG 3.72Å; L222-W253 HydrophobicContact CG-CE3 4.45Å; L222-A260 HydrophobicContact CD2-CB 3.37Å
223	E	93.5	Very high	90.6	Very high	139 Å²	139	54.2 Å²	54.2	65%	0.65	29%	0.289	S	S	*	.			trans	-117.2	147.6	-177.7	-54.7	-175.1	167.9	0	0	108.6	T160 V221	T160-E223 HydrophobicContact CG2-CG 4.1Å; V221-E223 HydrophobicContact CG1-CG 3.85Å
224	G	91.7	Very high	92.9	Very high	39 Å²	39	48.7 Å²	48.7	40%	0.402	25%	0.254	S	S	.	.			trans	136.2	-0.2	-179.5	0	0	0	0	0	116.2	K251	G224-K251 WeakPolarHBondContact O-CE 3.49Å; G224-K251 PolarHBondContact O-NZ 3Å
225	H	97	Very high	94.5	Very high	6 Å²	6	44 Å²	44	3%	0.028	22%	0.224	C	C	.	.			trans	-78.7	140.3	157.6	-85.8	-67.6	0	0	0	109.4	R227 V229 S243 A245 D247	H225-R227 VanDerWaalsContact C-N 3.25Å; H225-R227 PolarHBondContact O-N 2.82Å; H225-V229 HydrophobicContact CB-CG2 4.08Å; H225-S243 PolarHBondContact NE2-OG 3.1Å; H225-A245 VanDerWaalsContact CE1-CB 3.46Å; H225-A245 WeakPolarHBondContact CE1-CB 3.45Å; H225-A245 WeakPolarHBondContact ND1-CB 3.47Å; H225-D247 WeakPolarHBondContact CA-OD2 3.48Å; H225-D247 IonicContact CE1-OD1 3.35Å; H225-D247 IonicContact CE1-OD2 3.94Å; H225-D247 IonicContact CG-OD2 3.52Å; H225-D247 IonicContact ND1-OD1 3.91Å; H225-D247 PolarHBondContact ND1-OD1 3.05Å; H225-D247 IonicContact ND1-OD2 2.77Å; H225-D247 PolarHBondContact ND1-OD2 3.33Å
226	D	95.8	Very high	94.9	Very high	120 Å²	120	44 Å²	44	64%	0.642	23%	0.229	S	C	*	.	S	Bend	trans	-82.8	-4.3	-178.4	-59.3	-49.6	0	0	0	112.9	D247	D226-D247 HydrophobicContact CB-CB 4.24Å; D226-D247 PolarHBondContact N-OD2 2.82Å
227	R	97.4	Very high	94.7	Very high	131 Å²	131	47 Å²	47	49%	0.494	25%	0.247	S	C	.	.	S	Bend	trans	-153.3	170.9	-173.5	-65.6	-173.9	167.7	-163.3	-9	111.2	H225 D246 D247	H225-R227 VanDerWaalsContact C-N 3.25Å; H225-R227 PolarHBondContact O-N 2.82Å; R227-D246 HydrophobicContact CB-CB 3.83Å; R227-D246 VanDerWaalsContact CD-C 3.49Å; R227-D246 WeakPolarHBondContact CD-O 3.48Å; R227-D246 PolarHBondContact NH1-O 3.08Å; R227-D247 HydrophobicContact CB-CB 4.11Å; R227-D247 HydrophobicContact CG-CB 4.21Å
228	G	97.3	Very high	94.7	Very high	9 Å²	9	46.4 Å²	46.4	9%	0.093	24%	0.244	C	C	.	.			trans	-54.6	141.7	-179.8	0	0	0	0	0	114.3	A245 D246	G228-A245 WeakPolarHBondContact O-CA 3.21Å; G228-A245 WeakPolarHBondContact O-CB 3.34Å; G228-D246 PolarHBondContact O-N 2.93Å
229	V	98.5	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.1	-175.3	-166.4	0	0	0	0	109.5	M141 A155 S156 V161 H225 A244 A245	M141-V229 WeakPolarHBondContact CB-O 3.45Å; A155-V229 HydrophobicContact CB-CB 3.86Å; A155-V229 HydrophobicContact CB-CG1 3.6Å; S156-V229 PolarHBondContact O-N 2.87Å; V161-V229 HydrophobicContact CG2-CB 4.37Å; V161-V229 HydrophobicContact CG2-CG1 3.85Å; V161-V229 HydrophobicContact CG2-CG2 4.26Å; H225-V229 HydrophobicContact CB-CG2 4.08Å; V229-A244 WeakPolarHBondContact CG1-O 3.45Å; V229-A245 HydrophobicContact CB-CB 4.4Å; V229-A245 HydrophobicContact CG1-CB 4.34Å; V229-A245 HydrophobicContact CG2-CB 4.29Å
230	N	98.1	Very high	94.7	Very high	22 Å²	22	43.8 Å²	43.8	12%	0.118	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-38.4	-175.8	-68.3	-49.4	0	0	0	113	M141 A244 D246 V273	M141-N230 VanDerWaalsContact CB-O 3.23Å; M141-N230 WeakPolarHBondContact CB-O 3.49Å; N230-A244 PolarHBondContact N-O 3.49Å; N230-D246 PolarHBondContact ND2-OD1 2.9Å; N230-V273 PolarHBondContact ND2-O 2.92Å
231	W	98.3	Very high	94.8	Very high	38 Å²	38	42.8 Å²	42.8	14%	0.144	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.7	-170.6	-158.6	-93.9	0	0	0	112	T100 F102 C142 S243 A244 C275 V276	T100-W231 HydrophobicContact CG2-CH2 4Å; T100-W231 HydrophobicContact CG2-CZ3 3.72Å; F102-W231 HydrophobicContact CZ-CH2 4.26Å; F102-W231 HydrophobicContact CZ-CZ2 4.29Å; C142-W231 HydrophobicContact CB-CD2 4.28Å; C142-W231 HydrophobicContact CB-CE3 4.04Å; W231-S243 CarbonylContact O-C 3.59Å; W231-S243 VanDerWaalsContact O-CA 3.28Å; W231-S243 WeakPolarHBondContact O-CA 3.4Å; W231-A244 HydrophobicContact CB-CB 4.36Å; W231-A244 PolarHBondContact N-O 3.48Å; W231-A244 PolarHBondContact O-N 3.39Å; W231-C275 HydrophobicContact CD2-CB 4.34Å; W231-C275 VanDerWaalsContact CD2-SG 3.6Å; W231-C275 HydrophobicContact CG-CB 4.36Å; W231-C275 PolarHBondContact NE1-SG 2.91Å; W231-V276 PolarHBondContact NE1-O 3.31Å
232	V	97.9	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.4	175.3	63.1	0	0	0	0	110	C142 Q144 V153 A155 V161 V241 V242	C142-V232 HydrophobicContact CB-CG1 4.28Å; Q144-V232 PolarHBondContact NE2-O 2.96Å; V153-V232 HydrophobicContact CB-CG2 4.37Å; V153-V232 HydrophobicContact CG1-CG1 3.95Å; V153-V232 HydrophobicContact CG1-CG2 3.86Å; V153-V232 HydrophobicContact CG2-CG1 4.33Å; V153-V232 HydrophobicContact CG2-CG2 3.56Å; A155-V232 HydrophobicContact CB-CB 3.93Å; A155-V232 HydrophobicContact CB-CG1 3.84Å; V161-V232 HydrophobicContact CG1-CG2 3.88Å; V232-V241 HydrophobicContact CG2-CG1 3.34Å; V232-V242 CarbonylContact C-O 3.59Å; V232-V242 VanDerWaalsContact CA-O 3.28Å; V232-V242 WeakPolarHBondContact CA-O 3.36Å; V232-V242 WeakPolarHBondContact CG2-O 3.18Å
233	A	96.8	Very high	95	Very high	7 Å²	7	39.6 Å²	39.6	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.5	172.6	0	0	0	0	0	111.4	V241 V242 F278	A233-V241 WeakPolarHBondContact O-CA 3.34Å; A233-V242 HydrophobicContact CB-CG1 4.04Å; A233-V242 PolarHBondContact N-O 3.4Å; A233-V242 PolarHBondContact O-N 2.99Å; A233-F278 HydrophobicContact CB-CD2 4.41Å; A233-F278 HydrophobicContact CB-CE2 4.44Å
234	F	95.9	Very high	95.2	Very high	15 Å²	15	33 Å²	33	7%	0.066	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	146.4	167.9	-76.1	-72.6	0	0	0	111.5	H146 L151 V153 V241 M255 F278	H146-F234 HydrophobicContact CB-CD2 3.92Å; H146-F234 HydrophobicContact CB-CE1 4.4Å; H146-F234 HydrophobicContact CB-CE2 3.63Å; H146-F234 HydrophobicContact CB-CG 4.42Å; H146-F234 HydrophobicContact CB-CZ 3.88Å; H146-F234 AromaticContact CD2-CD1 3.49Å; H146-F234 VanDerWaalsContact CD2-CD1 3.49Å; H146-F234 WeakPolarHBondContact CD2-CD1 3.24Å; H146-F234 AromaticContact CD2-CD2 3.92Å; H146-F234 AromaticContact CD2-CE1 3.83Å; H146-F234 AromaticContact CD2-CG 3.52Å; L151-F234 HydrophobicContact CB-CZ 4.04Å; V153-F234 HydrophobicContact CB-CD2 4.17Å; V153-F234 HydrophobicContact CB-CE1 4.19Å; V153-F234 HydrophobicContact CB-CE2 3.54Å; V153-F234 HydrophobicContact CB-CZ 3.56Å; V153-F234 HydrophobicContact CG1-CD2 3.5Å; V153-F234 VanDerWaalsContact CG1-CD2 3.5Å; V153-F234 HydrophobicContact CG1-CE1 4.41Å; V153-F234 HydrophobicContact CG1-CE2 3.36Å; V153-F234 HydrophobicContact CG1-CG 4.12Å; V153-F234 HydrophobicContact CG1-CZ 3.87Å; F234-V241 HydrophobicContact CD1-CG2 3.5Å; F234-V241 HydrophobicContact CE1-CG2 3.7Å; F234-V241 HydrophobicContact CG-CG2 4.37Å; F234-M255 HydrophobicContact CE1-CE 3.85Å; F234-M255 HydrophobicContact CE1-SD 4.28Å; F234-F278 VanDerWaalsContact C-CE2 3.44Å; F234-F278 VanDerWaalsContact O-CD2 3.31Å; F234-F278 WeakPolarHBondContact O-CD2 3.28Å; F234-F278 WeakPolarHBondContact O-CE2 3.34Å
235	H	93.7	Very high	95.5	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.06	17%	0.165	C	C	.	.			trans	-69.5	138	167.4	-171.1	-95	0	0	0	110.2	T237 L238 I240 F278	H235-T237 PolarHBondContact CE1-OG1 3.29Å; H235-T237 PolarHBondContact ND1-N 3Å; H235-T237 PolarHBondContact ND1-OG1 3.08Å; H235-T237 PolarHBondContact O-N 2.93Å; H235-L238 HydrophobicContact CB-CB 4.13Å; H235-L238 VanDerWaalsContact ND1-CB 3.33Å; H235-L238 WeakPolarHBondContact ND1-CB 3.4Å; H235-L238 VanDerWaalsContact ND1-CG 3.35Å; H235-L238 WeakPolarHBondContact ND1-CG 3.35Å; H235-L238 PolarHBondContact ND1-N 3.4Å; H235-L238 VanDerWaalsContact ND1-N 3.15Å; H235-I240 HydrophobicContact CB-CB 4.08Å; H235-I240 PolarHBondContact N-O 2.87Å; H235-F278 HydrophobicContact CB-CD2 4.37Å; H235-F278 HydrophobicContact CB-CE1 4.32Å; H235-F278 HydrophobicContact CB-CE2 3.95Å; H235-F278 HydrophobicContact CB-CZ 3.91Å; H235-F278 AromaticContact CD2-CD1 3.49Å; H235-F278 VanDerWaalsContact CD2-CD1 3.49Å; H235-F278 WeakPolarHBondContact CD2-CD1 3.47Å; H235-F278 AromaticContact CD2-CE1 3.6Å; H235-F278 AromaticContact CD2-CG 3.87Å; H235-F278 VanDerWaalsContact N-CE2 3.33Å
236	P	88.5	Confident	95.6	Very high	53 Å²	53	32.6 Å²	32.6	34%	0.344	17%	0.172	S	C	.	.	S	Bend	trans	-59.8	-17.4	-175.6	-28.4	36.5	0	0	0	116.8
237	T	86.7	Confident	95.6	Very high	79 Å²	79	27.9 Å²	27.9	49%	0.485	15%	0.147	S	C	.	.	S	Bend	trans	-148.2	-1.8	-170.9	60	0	0	0	0	115.9	H235	H235-T237 PolarHBondContact CE1-OG1 3.29Å; H235-T237 PolarHBondContact ND1-N 3Å; H235-T237 PolarHBondContact ND1-OG1 3.08Å; H235-T237 PolarHBondContact O-N 2.93Å
238	L	90.4	Very high	95.6	Very high	75 Å²	75	27.4 Å²	27.4	39%	0.393	15%	0.145	S	C	.	.	S	Bend	trans	-126.3	150.7	-174.1	-64	173.8	0	0	0	109	H235 I240	H235-L238 HydrophobicContact CB-CB 4.13Å; H235-L238 VanDerWaalsContact ND1-CB 3.33Å; H235-L238 WeakPolarHBondContact ND1-CB 3.4Å; H235-L238 VanDerWaalsContact ND1-CG 3.35Å; H235-L238 WeakPolarHBondContact ND1-CG 3.35Å; H235-L238 PolarHBondContact ND1-N 3.4Å; H235-L238 VanDerWaalsContact ND1-N 3.15Å; L238-I240 HydrophobicContact CB-CB 4.43Å; L238-I240 HydrophobicContact CB-CD1 4.1Å; L238-I240 HydrophobicContact CB-CG1 4.13Å; L238-I240 HydrophobicContact CD1-CD1 4.05Å; L238-I240 PolarHBondContact O-N 3.27Å
239	P	92.6	Very high	95.6	Very high	67 Å²	67	28.2 Å²	28.2	44%	0.435	15%	0.147	S	C	.	.	S	Bend	trans	-77.5	65.5	176.5	35	-37.1	0	0	0	110.1	M255	P239-M255 HydrophobicContact CB-CG 3.89Å; P239-M255 WeakPolarHBondContact CB-O 3.5Å; P239-M255 PolarHBondContact O-N 2.94Å
240	I	93.9	Very high	95.5	Very high	19 Å²	19	28.2 Å²	28.2	10%	0.097	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.8	-175.4	-64.3	178.8	0	0	0	108.7	H235 L238 I252 W253 L263 F278	H235-I240 HydrophobicContact CB-CB 4.08Å; H235-I240 PolarHBondContact N-O 2.87Å; L238-I240 HydrophobicContact CB-CB 4.43Å; L238-I240 HydrophobicContact CB-CD1 4.1Å; L238-I240 HydrophobicContact CB-CG1 4.13Å; L238-I240 HydrophobicContact CD1-CD1 4.05Å; L238-I240 PolarHBondContact O-N 3.27Å; I240-I252 HydrophobicContact CG2-CG2 3.61Å; I240-W253 VanDerWaalsContact CA-O 3.26Å; I240-W253 WeakPolarHBondContact CA-O 3.48Å; I240-L263 HydrophobicContact CD1-CD2 4.49Å; I240-F278 HydrophobicContact CG2-CZ 4.26Å
241	V	96	Very high	95.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.1	168.2	166	0	0	0	0	108.6	V153 V161 V232 A233 F234 W253 M255	V153-V241 HydrophobicContact CG2-CG1 4.12Å; V153-V241 HydrophobicContact CG2-CG2 4.19Å; V161-V241 HydrophobicContact CG1-CG1 4.32Å; V232-V241 HydrophobicContact CG2-CG1 3.34Å; A233-V241 WeakPolarHBondContact O-CA 3.34Å; F234-V241 HydrophobicContact CD1-CG2 3.5Å; F234-V241 HydrophobicContact CE1-CG2 3.7Å; F234-V241 HydrophobicContact CG-CG2 4.37Å; V241-W253 HydrophobicContact CB-CB 4.3Å; V241-W253 PolarHBondContact N-O 3.22Å; V241-W253 PolarHBondContact O-N 2.87Å; V241-M255 HydrophobicContact CG2-CE 4.04Å; V241-M255 HydrophobicContact CG2-SD 3.8Å
242	V	97.1	Very high	95.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.9	167.4	68.5	0	0	0	0	109.7	V232 A233 I250 K251 I252 V276 F278 L285	V232-V242 CarbonylContact C-O 3.59Å; V232-V242 VanDerWaalsContact CA-O 3.28Å; V232-V242 WeakPolarHBondContact CA-O 3.36Å; V232-V242 WeakPolarHBondContact CG2-O 3.18Å; A233-V242 HydrophobicContact CB-CG1 4.04Å; A233-V242 PolarHBondContact N-O 3.4Å; A233-V242 PolarHBondContact O-N 2.99Å; V242-I250 HydrophobicContact CG2-CG2 3.44Å; V242-I250 VanDerWaalsContact CG2-CG2 3.44Å; V242-K251 CarbonylContact C-O 3.58Å; V242-K251 WeakPolarHBondContact CA-O 3.33Å; V242-K251 WeakPolarHBondContact CG2-O 3.36Å; V242-I252 HydrophobicContact CG2-CG1 4.34Å; V242-V276 HydrophobicContact CG1-CG1 3.99Å; V242-V276 HydrophobicContact CG1-CG2 3.98Å; V242-V276 HydrophobicContact CG2-CG1 4.3Å; V242-V276 HydrophobicContact CG2-CG2 3.82Å; V242-F278 HydrophobicContact CB-CE1 4.48Å; V242-F278 HydrophobicContact CB-CE2 4.06Å; V242-F278 HydrophobicContact CB-CZ 3.72Å; V242-F278 HydrophobicContact CG1-CD2 4.12Å; V242-F278 HydrophobicContact CG1-CE1 4.36Å; V242-F278 HydrophobicContact CG1-CE2 3.41Å; V242-F278 VanDerWaalsContact CG1-CE2 3.41Å; V242-F278 HydrophobicContact CG1-CZ 3.56Å; V242-L285 HydrophobicContact CB-CD2 4.17Å; V242-L285 HydrophobicContact CG1-CD2 3.84Å; V242-L285 HydrophobicContact CG2-CD1 4Å; V242-L285 HydrophobicContact CG2-CD2 3.94Å
243	S	98.1	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.5	177	58.2	0	0	0	0	112.2	H225 W231 I250 K251 W253	H225-S243 PolarHBondContact NE2-OG 3.1Å; W231-S243 CarbonylContact O-C 3.59Å; W231-S243 VanDerWaalsContact O-CA 3.28Å; W231-S243 WeakPolarHBondContact O-CA 3.4Å; S243-I250 CarbonylContact O-C 3.51Å; S243-I250 VanDerWaalsContact O-CA 3.23Å; S243-I250 WeakPolarHBondContact O-CA 3.39Å; S243-I250 WeakPolarHBondContact O-CG2 3.45Å; S243-K251 PolarHBondContact N-O 3.13Å; S243-K251 PolarHBondContact O-N 3.47Å; S243-W253 PolarHBondContact OG-NE1 3.26Å
244	A	98	Very high	95.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.5	-179.6	0	0	0	0	0	110.3	V229 N230 W231 I250 V273 V276	V229-A244 WeakPolarHBondContact CG1-O 3.45Å; N230-A244 PolarHBondContact N-O 3.49Å; W231-A244 HydrophobicContact CB-CB 4.36Å; W231-A244 PolarHBondContact N-O 3.48Å; W231-A244 PolarHBondContact O-N 3.39Å; A244-I250 HydrophobicContact CB-CG1 4.49Å; A244-V273 HydrophobicContact CB-CB 3.87Å; A244-V273 HydrophobicContact CB-CG1 3.62Å; A244-V276 HydrophobicContact CB-CB 3.96Å; A244-V276 HydrophobicContact CB-CG1 3.57Å
245	A	98.2	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	173.3	-165	0	0	0	0	0	114.8	H225 G228 V229 D247 R248 L249 V273	H225-A245 VanDerWaalsContact CE1-CB 3.46Å; H225-A245 WeakPolarHBondContact CE1-CB 3.45Å; H225-A245 WeakPolarHBondContact ND1-CB 3.47Å; G228-A245 WeakPolarHBondContact O-CA 3.21Å; G228-A245 WeakPolarHBondContact O-CB 3.34Å; V229-A245 HydrophobicContact CB-CB 4.4Å; V229-A245 HydrophobicContact CG1-CB 4.34Å; V229-A245 HydrophobicContact CG2-CB 4.29Å; A245-D247 WeakPolarHBondContact CB-OD1 3.43Å; A245-D247 PolarHBondContact O-N 2.63Å; A245-R248 PolarHBondContact O-N 2.9Å; A245-L249 PolarHBondContact N-O 3.12Å; A245-V273 PolarHBondContact O-N 3.37Å; A245-V273 VanDerWaalsContact O-N 3.1Å
246	D	98	Very high	95	Very high	36 Å²	36	34.2 Å²	34.2	19%	0.193	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-8.2	179.5	-81	4.1	0	0	0	114.2	R227 G228 N230 R248 N272	R227-D246 HydrophobicContact CB-CB 3.83Å; R227-D246 VanDerWaalsContact CD-C 3.49Å; R227-D246 WeakPolarHBondContact CD-O 3.48Å; R227-D246 PolarHBondContact NH1-O 3.08Å; G228-D246 PolarHBondContact O-N 2.93Å; N230-D246 PolarHBondContact ND2-OD1 2.9Å; D246-R248 PolarHBondContact O-N 3.34Å; D246-N272 VanDerWaalsContact OD1-CB 3.32Å; D246-N272 WeakPolarHBondContact OD1-CB 3.45Å; D246-N272 VanDerWaalsContact OD1-CG 3.24Å; D246-N272 PolarHBondContact OD1-ND2 3.09Å; D246-N272 PolarHBondContact OD2-ND2 2.97Å
247	D	97	Very high	94.8	Very high	21 Å²	21	39.4 Å²	39.4	11%	0.112	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-0.6	169.2	63.7	8	0	0	0	112.7	H225 D226 R227 A245 L249	H225-D247 WeakPolarHBondContact CA-OD2 3.48Å; H225-D247 IonicContact CE1-OD1 3.35Å; H225-D247 IonicContact CE1-OD2 3.94Å; H225-D247 IonicContact CG-OD2 3.52Å; H225-D247 IonicContact ND1-OD1 3.91Å; H225-D247 PolarHBondContact ND1-OD1 3.05Å; H225-D247 IonicContact ND1-OD2 2.77Å; H225-D247 PolarHBondContact ND1-OD2 3.33Å; D226-D247 HydrophobicContact CB-CB 4.24Å; D226-D247 PolarHBondContact N-OD2 2.82Å; R227-D247 HydrophobicContact CB-CB 4.11Å; R227-D247 HydrophobicContact CG-CB 4.21Å; A245-D247 WeakPolarHBondContact CB-OD1 3.43Å; A245-D247 PolarHBondContact O-N 2.63Å; D247-L249 HydrophobicContact CB-CD1 4.43Å; D247-L249 HydrophobicContact CB-CG 4.3Å; D247-L249 PolarHBondContact O-N 3.41Å; D247-L249 WeakPolarHBondContact OD1-CB 3.34Å; D247-L249 WeakPolarHBondContact OD1-CG 3.32Å; D247-L249 PolarHBondContact OD1-N 3.36Å
248	R	97.2	Very high	94.9	Very high	121 Å²	121	40.3 Å²	40.3	46%	0.457	20%	0.204	S	C	.	.	S	Bend	trans	73.1	10.1	-178.9	-41.2	166.4	178.7	156.7	-1.6	113.5	A245 D246 H269 F270	A245-R248 PolarHBondContact O-N 2.9Å; D246-R248 PolarHBondContact O-N 3.34Å; R248-H269 WeakPolarHBondContact CB-O 3.39Å; R248-F270 PolarHBondContact NE-O 3.22Å
249	L	96.7	Very high	94.9	Very high	26 Å²	26	43.7 Å²	43.7	14%	0.136	22%	0.215	C	C	.	.			trans	-97.8	156.9	-178.2	-53.8	179.7	0	0	0	111.6	A245 D247 T265 R267	A245-L249 PolarHBondContact N-O 3.12Å; D247-L249 HydrophobicContact CB-CD1 4.43Å; D247-L249 HydrophobicContact CB-CG 4.3Å; D247-L249 PolarHBondContact O-N 3.41Å; D247-L249 WeakPolarHBondContact OD1-CB 3.34Å; D247-L249 WeakPolarHBondContact OD1-CG 3.32Å; D247-L249 PolarHBondContact OD1-N 3.36Å; L249-T265 HydrophobicContact CB-CG2 4.06Å; L249-T265 HydrophobicContact CD1-CG2 3.82Å; L249-T265 HydrophobicContact CD2-CG2 3.79Å; L249-T265 HydrophobicContact CG-CG2 4.11Å; L249-R267 HydrophobicContact CD2-CG 3.9Å
250	I	97.5	Very high	95	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.9	165.4	-61.9	156	0	0	0	106.8	V242 S243 A244 L266 V273 V276 S287 W297	V242-I250 HydrophobicContact CG2-CG2 3.44Å; V242-I250 VanDerWaalsContact CG2-CG2 3.44Å; S243-I250 CarbonylContact O-C 3.51Å; S243-I250 VanDerWaalsContact O-CA 3.23Å; S243-I250 WeakPolarHBondContact O-CA 3.39Å; S243-I250 WeakPolarHBondContact O-CG2 3.45Å; A244-I250 HydrophobicContact CB-CG1 4.49Å; I250-L266 HydrophobicContact CB-CB 4.2Å; I250-L266 HydrophobicContact CB-CD1 4.45Å; I250-L266 HydrophobicContact CG2-CD1 4.16Å; I250-L266 PolarHBondContact N-O 3.37Å; I250-L266 PolarHBondContact O-N 3.05Å; I250-V273 HydrophobicContact CD1-CG1 4.23Å; I250-V273 HydrophobicContact CG1-CG1 4Å; I250-V273 HydrophobicContact CG1-CG2 4.36Å; I250-V276 HydrophobicContact CG2-CG2 4.1Å; I250-S287 WeakPolarHBondContact CD1-OG 3.24Å; I250-W297 HydrophobicContact CD1-CZ2 3.73Å
251	K	97	Very high	95	Very high	13 Å²	13	46 Å²	46	6%	0.057	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.8	-179.8	-73.5	178.1	-175.1	-87.9	0	110.6	G224 V242 S243 W253 E262 T265	G224-K251 WeakPolarHBondContact O-CE 3.49Å; G224-K251 PolarHBondContact O-NZ 3Å; V242-K251 CarbonylContact C-O 3.58Å; V242-K251 WeakPolarHBondContact CA-O 3.33Å; V242-K251 WeakPolarHBondContact CG2-O 3.36Å; S243-K251 PolarHBondContact N-O 3.13Å; S243-K251 PolarHBondContact O-N 3.47Å; K251-W253 HydrophobicContact CB-CZ2 3.79Å; K251-W253 HydrophobicContact CD-CH2 3.99Å; K251-W253 HydrophobicContact CD-CZ2 3.58Å; K251-W253 HydrophobicContact CG-CZ2 4.32Å; K251-E262 WeakPolarHBondContact CD-OE2 3.44Å; K251-E262 IonicContact NZ-OE1 3.33Å; K251-E262 IonicContact NZ-OE2 3.68Å; K251-E262 PolarHBondContact NZ-OE2 3.16Å; K251-T265 WeakPolarHBondContact CG-OG1 3.3Å; K251-T265 PolarHBondContact NZ-OG1 3.19Å
252	I	96.6	Very high	94.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.6	174.7	-55.9	179.6	0	0	0	106.1	I240 V242 L263 D264 L266 L285 L299 R302	I240-I252 HydrophobicContact CG2-CG2 3.61Å; V242-I252 HydrophobicContact CG2-CG1 4.34Å; I252-L263 HydrophobicContact CG2-CB 4.33Å; I252-L263 HydrophobicContact CG2-CD2 4.1Å; I252-L263 WeakPolarHBondContact O-CA 3.36Å; I252-L263 WeakPolarHBondContact O-CB 3.46Å; I252-L263 PolarHBondContact O-N 2.98Å; I252-D264 PolarHBondContact N-O 3.17Å; I252-D264 PolarHBondContact O-N 3.27Å; I252-L266 HydrophobicContact CD1-CD1 4.13Å; I252-L266 HydrophobicContact CD1-CD2 4.19Å; I252-L266 HydrophobicContact CD1-CG 4.13Å; I252-L285 HydrophobicContact CD1-CD1 3.91Å; I252-L285 HydrophobicContact CG1-CD1 4.3Å; I252-L299 HydrophobicContact CD1-CD1 3.92Å; I252-R302 VanDerWaalsContact CD1-NH1 3.32Å
253	W	96.7	Very high	94.7	Very high	6 Å²	6	52.4 Å²	52.4	2%	0.023	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.6	-178.3	-49.3	85.5	0	0	0	108.9	L222 I240 V241 S243 K251 W261 E262	L222-W253 HydrophobicContact CB-CD2 4.1Å; L222-W253 HydrophobicContact CB-CE3 3.84Å; L222-W253 HydrophobicContact CB-CH2 4.19Å; L222-W253 HydrophobicContact CB-CZ2 4.42Å; L222-W253 HydrophobicContact CB-CZ3 3.89Å; L222-W253 HydrophobicContact CD1-CB 3.93Å; L222-W253 HydrophobicContact CD1-CD2 3.84Å; L222-W253 HydrophobicContact CD1-CE3 4.17Å; L222-W253 HydrophobicContact CD1-CG 3.72Å; L222-W253 HydrophobicContact CG-CE3 4.45Å; I240-W253 VanDerWaalsContact CA-O 3.26Å; I240-W253 WeakPolarHBondContact CA-O 3.48Å; V241-W253 HydrophobicContact CB-CB 4.3Å; V241-W253 PolarHBondContact N-O 3.22Å; V241-W253 PolarHBondContact O-N 2.87Å; S243-W253 PolarHBondContact OG-NE1 3.26Å; K251-W253 HydrophobicContact CB-CZ2 3.79Å; K251-W253 HydrophobicContact CD-CH2 3.99Å; K251-W253 HydrophobicContact CD-CZ2 3.58Å; K251-W253 HydrophobicContact CG-CZ2 4.32Å; W253-W261 CarbonylContact C-O 3.55Å; W253-W261 VanDerWaalsContact CA-O 3.3Å; W253-W261 WeakPolarHBondContact CA-O 3.24Å; W253-E262 HydrophobicContact CE3-CB 3.98Å; W253-E262 HydrophobicContact CZ3-CB 3.88Å
254	R	94.8	Very high	94.5	Very high	119 Å²	119	54.7 Å²	54.7	45%	0.449	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.8	169.2	-172.7	170.1	179.8	-175.9	0.7	109	A260 W261 L263	R254-A260 CarbonylContact O-C 3.57Å; R254-A260 VanDerWaalsContact O-CA 3.27Å; R254-A260 WeakPolarHBondContact O-CA 3.28Å; R254-W261 HydrophobicContact CB-CD2 4.44Å; R254-W261 HydrophobicContact CB-CH2 4.36Å; R254-W261 HydrophobicContact CB-CZ2 4.05Å; R254-W261 HydrophobicContact CG-CH2 3.97Å; R254-W261 HydrophobicContact CG-CZ2 3.97Å; R254-W261 PolarHBondContact N-O 2.87Å; R254-W261 PolarHBondContact O-N 2.91Å; R254-L263 HydrophobicContact CB-CB 4.21Å; R254-L263 HydrophobicContact CB-CD1 4.41Å; R254-L263 HydrophobicContact CB-CD2 4.37Å
255	M	92.9	Very high	94.3	Very high	18 Å²	18	55 Å²	55	9%	0.089	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	158.4	175.7	65.1	-133	-64.6	0	0	112	V163 F234 P239 V241 K259 A260	V163-M255 HydrophobicContact CB-CE 4.37Å; V163-M255 HydrophobicContact CG1-CE 3.85Å; V163-M255 HydrophobicContact CG2-CE 3.65Å; F234-M255 HydrophobicContact CE1-CE 3.85Å; F234-M255 HydrophobicContact CE1-SD 4.28Å; P239-M255 HydrophobicContact CB-CG 3.89Å; P239-M255 WeakPolarHBondContact CB-O 3.5Å; P239-M255 PolarHBondContact O-N 2.94Å; V241-M255 HydrophobicContact CG2-CE 4.04Å; V241-M255 HydrophobicContact CG2-SD 3.8Å; M255-K259 CarbonylContact C-O 3.47Å; M255-K259 WeakPolarHBondContact CA-O 3.28Å; M255-A260 HydrophobicContact CB-CB 3.83Å
256	T	91.1	Very high	94.2	Very high	64 Å²	64	55.2 Å²	55.2	39%	0.393	27%	0.267	S	S	.	.			trans	-132.8	-177.4	163.9	62.9	0	0	0	0	108	H220 S258 K259 W261	H220-T256 PolarHBondContact NE2-O 3.39Å; T256-S258 PolarHBondContact O-N 3.37Å; T256-K259 PolarHBondContact N-O 2.83Å; T256-K259 PolarHBondContact OG1-N 2.9Å; T256-K259 PolarHBondContact OG1-O 2.8Å; T256-W261 HydrophobicContact CG2-CH2 4.1Å; T256-W261 HydrophobicContact CG2-CZ3 3.98Å
257	E	85.3	Confident	94	Very high	163 Å²	163	61.6 Å²	61.6	76%	0.762	29%	0.288	S	S	*	.	S	Bend	trans	-57.3	-33.2	178.4	-157	173.2	-171.5	0	0	113	R219	R219-E257 PolarHBondContact NE-O 2.91Å; R219-E257 PolarHBondContact NH2-O 2.84Å
258	S	87.1	Confident	93.7	Very high	97 Å²	97	61.8 Å²	61.8	68%	0.678	30%	0.295	S	S	*	.	S	Bend	trans	-120.1	-11.8	-169.3	59	0	0	0	0	116	T256	T256-S258 PolarHBondContact O-N 3.37Å
259	K	91.4	Very high	93.6	Very high	147 Å²	147	56.5 Å²	56.5	64%	0.639	28%	0.275	S	S	*	.			trans	-145.4	156.8	176.1	-66.2	-171.8	177.3	-176.4	0	111.8	H220 M255 T256	H220-K259 PolarHBondContact CE1-N 3.27Å; M255-K259 CarbonylContact C-O 3.47Å; M255-K259 WeakPolarHBondContact CA-O 3.28Å; T256-K259 PolarHBondContact N-O 2.83Å; T256-K259 PolarHBondContact OG1-N 2.9Å; T256-K259 PolarHBondContact OG1-O 2.8Å
260	A	93.7	Very high	93.5	Very high	26 Å²	26	62.3 Å²	62.3	22%	0.215	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147	165.2	0	0	0	0	0	110	H220 L222 R254 M255	H220-A260 HydrophobicContact CB-CB 4.11Å; L222-A260 HydrophobicContact CD2-CB 3.37Å; R254-A260 CarbonylContact O-C 3.57Å; R254-A260 VanDerWaalsContact O-CA 3.27Å; R254-A260 WeakPolarHBondContact O-CA 3.28Å; M255-A260 HydrophobicContact CB-CB 3.83Å
261	W	94.4	Very high	93.4	Very high	107 Å²	107	64.8 Å²	64.8	41%	0.405	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	160	-173.5	68.6	100.9	0	0	0	112.1	W253 R254 T256 L263	W253-W261 CarbonylContact C-O 3.55Å; W253-W261 VanDerWaalsContact CA-O 3.3Å; W253-W261 WeakPolarHBondContact CA-O 3.24Å; R254-W261 HydrophobicContact CB-CD2 4.44Å; R254-W261 HydrophobicContact CB-CH2 4.36Å; R254-W261 HydrophobicContact CB-CZ2 4.05Å; R254-W261 HydrophobicContact CG-CH2 3.97Å; R254-W261 HydrophobicContact CG-CZ2 3.97Å; R254-W261 PolarHBondContact N-O 2.87Å; R254-W261 PolarHBondContact O-N 2.91Å; T256-W261 HydrophobicContact CG2-CH2 4.1Å; T256-W261 HydrophobicContact CG2-CZ3 3.98Å; W261-L263 PolarHBondContact O-N 3.2Å
262	E	94.3	Very high	93.4	Very high	73 Å²	73	65.7 Å²	65.7	34%	0.341	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	125	173.3	-171.8	179.2	141.6	0	0	110.3	K251 W253 T265	K251-E262 WeakPolarHBondContact CD-OE2 3.44Å; K251-E262 IonicContact NZ-OE1 3.33Å; K251-E262 IonicContact NZ-OE2 3.68Å; K251-E262 PolarHBondContact NZ-OE2 3.16Å; W253-E262 HydrophobicContact CE3-CB 3.98Å; W253-E262 HydrophobicContact CZ3-CB 3.88Å; E262-T265 WeakPolarHBondContact OE1-CB 3.25Å; E262-T265 PolarHBondContact OE1-OG1 3.21Å
263	L	92.5	Very high	93.5	Very high	62 Å²	62	65.7 Å²	65.7	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-37.8	174.6	-174.7	66.5	0	0	0	111.6	I240 I252 R254 W261	I240-L263 HydrophobicContact CD1-CD2 4.49Å; I252-L263 HydrophobicContact CG2-CB 4.33Å; I252-L263 HydrophobicContact CG2-CD2 4.1Å; I252-L263 WeakPolarHBondContact O-CA 3.36Å; I252-L263 WeakPolarHBondContact O-CB 3.46Å; I252-L263 PolarHBondContact O-N 2.98Å; R254-L263 HydrophobicContact CB-CB 4.21Å; R254-L263 HydrophobicContact CB-CD1 4.41Å; R254-L263 HydrophobicContact CB-CD2 4.37Å; W261-L263 PolarHBondContact O-N 3.2Å
264	D	93.4	Very high	93.5	Very high	49 Å²	49	66.1 Å²	66.1	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	159.8	175.7	-156.9	-6.4	0	0	0	112.8	I252 R302	I252-D264 PolarHBondContact N-O 3.17Å; I252-D264 PolarHBondContact O-N 3.27Å; D264-R302 WeakPolarHBondContact OD2-CB 3.49Å; D264-R302 WeakPolarHBondContact OD2-CD 3.37Å; D264-R302 WeakPolarHBondContact OD2-CG 3.44Å; D264-R302 IonicContact OD2-NE 3.66Å
265	T	95.1	Very high	93.6	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.8	170.9	-75.8	0	0	0	0	110	L249 K251 E262 R267	L249-T265 HydrophobicContact CB-CG2 4.06Å; L249-T265 HydrophobicContact CD1-CG2 3.82Å; L249-T265 HydrophobicContact CD2-CG2 3.79Å; L249-T265 HydrophobicContact CG-CG2 4.11Å; K251-T265 WeakPolarHBondContact CG-OG1 3.3Å; K251-T265 PolarHBondContact NZ-OG1 3.19Å; E262-T265 WeakPolarHBondContact OE1-CB 3.25Å; E262-T265 PolarHBondContact OE1-OG1 3.21Å; T265-R267 HydrophobicContact CG2-CG 3.97Å; T265-R267 VanDerWaalsContact CG2-CZ 3.45Å; T265-R267 PolarHBondContact O-NH1 2.99Å
266	L	94.9	Very high	93.9	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.031	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.3	171.7	-48.6	179	0	0	0	110.3	I250 I252 L285 W297 R302	I250-L266 HydrophobicContact CB-CB 4.2Å; I250-L266 HydrophobicContact CB-CD1 4.45Å; I250-L266 HydrophobicContact CG2-CD1 4.16Å; I250-L266 PolarHBondContact N-O 3.37Å; I250-L266 PolarHBondContact O-N 3.05Å; I252-L266 HydrophobicContact CD1-CD1 4.13Å; I252-L266 HydrophobicContact CD1-CD2 4.19Å; I252-L266 HydrophobicContact CD1-CG 4.13Å; L266-L285 HydrophobicContact CD1-CD1 3.91Å; L266-W297 HydrophobicContact CB-CD2 4.35Å; L266-W297 HydrophobicContact CB-CE3 3.95Å; L266-W297 HydrophobicContact CB-CH2 4.35Å; L266-W297 HydrophobicContact CB-CZ3 3.95Å; L266-W297 HydrophobicContact CD1-CB 3.96Å; L266-W297 HydrophobicContact CD1-CD2 3.86Å; L266-W297 HydrophobicContact CD1-CE3 4.08Å; L266-W297 HydrophobicContact CD1-CG 3.81Å; L266-W297 HydrophobicContact CG-CE3 4.45Å; L266-R302 HydrophobicContact CD2-CB 3.99Å; L266-R302 WeakPolarHBondContact CD2-O 3.39Å
267	R	93.9	Very high	94.1	Very high	169 Å²	169	57.3 Å²	57.3	64%	0.638	28%	0.283	S	S	*	.			trans	-120.9	138.3	-175	-65.2	174.9	175.9	83.2	-4.9	110.9	L249 T265 W297	L249-R267 HydrophobicContact CD2-CG 3.9Å; T265-R267 HydrophobicContact CG2-CG 3.97Å; T265-R267 VanDerWaalsContact CG2-CZ 3.45Å; T265-R267 PolarHBondContact O-NH1 2.99Å; R267-W297 WeakPolarHBondContact O-CH2 3.48Å; R267-W297 WeakPolarHBondContact O-CZ3 3.33Å
268	G	90.3	Very high	94.5	Very high	25 Å²	25	50.2 Å²	50.2	26%	0.258	25%	0.25	S	C	.	.			trans	153.4	-13.8	170.3	0	0	0	0	0	116.9	R295	G268-R295 PolarHBondContact O-NE 2.86Å; G268-R295 VanDerWaalsContact O-NE 3.17Å; G268-R295 PolarHBondContact O-NH2 3.3Å
269	H	95.5	Very high	94.7	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.046	22%	0.219	C	C	.	.			trans	-70.6	145.8	168.4	-82.1	-63.3	0	0	0	110.6	R248 V273 S287 S289 D291 S293	R248-H269 WeakPolarHBondContact CB-O 3.39Å; H269-V273 HydrophobicContact CB-CG2 3.8Å; H269-S287 PolarHBondContact NE2-OG 3.1Å; H269-S289 VanDerWaalsContact CE1-CB 3.49Å; H269-S289 WeakPolarHBondContact CE1-CB 3.42Å; H269-S289 VanDerWaalsContact ND1-CB 3.25Å; H269-S289 WeakPolarHBondContact ND1-CB 3.19Å; H269-D291 VanDerWaalsContact CA-OD2 3.29Å; H269-D291 WeakPolarHBondContact CA-OD2 3.17Å; H269-D291 IonicContact CE1-OD1 2.85Å; H269-D291 IonicContact CE1-OD2 3.49Å; H269-D291 IonicContact CG-OD2 2.91Å; H269-D291 IonicContact ND1-OD1 2.7Å; H269-D291 PolarHBondContact ND1-OD1 2.99Å; H269-D291 IonicContact ND1-OD2 2.82Å; H269-D291 PolarHBondContact ND1-OD2 2.86Å; H269-S293 PolarHBondContact CE1-OG 2.96Å
270	F	94.1	Very high	94.4	Very high	148 Å²	148	40.8 Å²	40.8	65%	0.649	20%	0.201	S	C	*	.	S	Bend	trans	-102.5	-5	-176.4	-61.7	-72.7	0	0	0	113.5	R248 D291	R248-F270 PolarHBondContact NE-O 3.22Å; F270-D291 HydrophobicContact CB-CB 4.07Å; F270-D291 PolarHBondContact N-OD2 3.19Å
271	N	96.1	Very high	93.7	Very high	54 Å²	54	47.6 Å²	47.6	29%	0.289	22%	0.221	S	C	.	.	S	Bend	trans	-146.9	176.7	178.8	-155.7	5.7	0	0	0	108.8	V273 S289 E290 D291	N271-V273 PolarHBondContact O-N 3.01Å; N271-S289 PolarHBondContact O-OG 3.33Å; N271-S289 VanDerWaalsContact O-OG 3.12Å; N271-E290 HydrophobicContact CB-CB 4.23Å; N271-E290 WeakPolarHBondContact ND2-CB 3.19Å; N271-E290 PolarHBondContact ND2-O 3.46Å; N271-D291 HydrophobicContact CB-CB 3.8Å
272	N	97.6	Very high	93.2	Very high	31 Å²	31	45.6 Å²	45.6	17%	0.166	22%	0.216	C	C	.	.			trans	-48.4	135	-177.8	-57.8	19.2	0	0	0	111.5	D246 S289 E290	D246-N272 VanDerWaalsContact OD1-CB 3.32Å; D246-N272 WeakPolarHBondContact OD1-CB 3.45Å; D246-N272 VanDerWaalsContact OD1-CG 3.24Å; D246-N272 PolarHBondContact OD1-ND2 3.09Å; D246-N272 PolarHBondContact OD2-ND2 2.97Å; N272-S289 WeakPolarHBondContact O-CA 3.29Å; N272-S289 WeakPolarHBondContact O-CB 3.34Å; N272-S289 PolarHBondContact O-OG 3.03Å; N272-E290 PolarHBondContact O-N 3.05Å
273	V	98.2	Very high	92.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.9	177.1	-166.7	0	0	0	0	107.9	N230 A244 A245 I250 H269 N271 D288	N230-V273 PolarHBondContact ND2-O 2.92Å; A244-V273 HydrophobicContact CB-CB 3.87Å; A244-V273 HydrophobicContact CB-CG1 3.62Å; A245-V273 PolarHBondContact O-N 3.37Å; A245-V273 VanDerWaalsContact O-N 3.1Å; I250-V273 HydrophobicContact CD1-CG1 4.23Å; I250-V273 HydrophobicContact CG1-CG1 4Å; I250-V273 HydrophobicContact CG1-CG2 4.36Å; H269-V273 HydrophobicContact CB-CG2 3.8Å; N271-V273 PolarHBondContact O-N 3.01Å; V273-D288 VanDerWaalsContact CG1-O 3.25Å; V273-D288 WeakPolarHBondContact CG1-O 3.48Å
274	S	97.4	Very high	92.8	Very high	15 Å²	15	44.9 Å²	44.9	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-41.4	-167.5	-56.2	0	0	0	0	112.4	D288	S274-D288 PolarHBondContact N-O 3.46Å
275	C	97.5	Very high	92.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.2	179.5	-168.5	0	0	0	0	111.4	W231 S287 D288 L318	W231-C275 HydrophobicContact CD2-CB 4.34Å; W231-C275 VanDerWaalsContact CD2-SG 3.6Å; W231-C275 HydrophobicContact CG-CB 4.36Å; W231-C275 PolarHBondContact NE1-SG 2.91Å; C275-S287 VanDerWaalsContact O-CA 3.29Å; C275-S287 WeakPolarHBondContact O-CA 3.45Å; C275-D288 WeakPolarHBondContact CA-OD1 3.47Å; C275-D288 WeakPolarHBondContact CB-OD1 3.45Å; C275-D288 PolarHBondContact N-OD1 3.2Å; C275-D288 PolarHBondContact O-N 3.28Å; C275-L318 HydrophobicContact CB-CB 4.21Å; C275-L318 PolarHBondContact SG-N 3.32Å
276	V	97.6	Very high	92.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134.4	174.2	60.3	0	0	0	0	110.6	W231 V242 A244 I250 L285 L286	W231-V276 PolarHBondContact NE1-O 3.31Å; V242-V276 HydrophobicContact CG1-CG1 3.99Å; V242-V276 HydrophobicContact CG1-CG2 3.98Å; V242-V276 HydrophobicContact CG2-CG1 4.3Å; V242-V276 HydrophobicContact CG2-CG2 3.82Å; A244-V276 HydrophobicContact CB-CB 3.96Å; A244-V276 HydrophobicContact CB-CG1 3.57Å; I250-V276 HydrophobicContact CG2-CG2 4.1Å; V276-L285 HydrophobicContact CG2-CD2 3.9Å; V276-L286 CarbonylContact C-O 3.57Å; V276-L286 WeakPolarHBondContact CA-O 3.48Å
277	V	95.7	Very high	92.9	Very high	17 Å²	17	42 Å²	42	10%	0.103	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.6	-178.2	-62	0	0	0	0	111.8	L286 L318 A320	V277-L286 HydrophobicContact CG2-CB 4.06Å; V277-L286 PolarHBondContact N-O 3.05Å; V277-L286 PolarHBondContact O-N 2.94Å; V277-L318 HydrophobicContact CG1-CB 4.18Å; V277-L318 HydrophobicContact CG2-CB 4Å; V277-L318 HydrophobicContact CG2-CD1 4.34Å; V277-A320 HydrophobicContact CG2-CB 4.28Å
278	F	93.9	Very high	93	Very high	14 Å²	14	34 Å²	34	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	146.4	171.2	-68.1	-77.1	0	0	0	111.6	A233 F234 H235 I240 V242 L285 L299	A233-F278 HydrophobicContact CB-CD2 4.41Å; A233-F278 HydrophobicContact CB-CE2 4.44Å; F234-F278 VanDerWaalsContact C-CE2 3.44Å; F234-F278 VanDerWaalsContact O-CD2 3.31Å; F234-F278 WeakPolarHBondContact O-CD2 3.28Å; F234-F278 WeakPolarHBondContact O-CE2 3.34Å; H235-F278 HydrophobicContact CB-CD2 4.37Å; H235-F278 HydrophobicContact CB-CE1 4.32Å; H235-F278 HydrophobicContact CB-CE2 3.95Å; H235-F278 HydrophobicContact CB-CZ 3.91Å; H235-F278 AromaticContact CD2-CD1 3.49Å; H235-F278 VanDerWaalsContact CD2-CD1 3.49Å; H235-F278 WeakPolarHBondContact CD2-CD1 3.47Å; H235-F278 AromaticContact CD2-CE1 3.6Å; H235-F278 AromaticContact CD2-CG 3.87Å; H235-F278 VanDerWaalsContact N-CE2 3.33Å; I240-F278 HydrophobicContact CG2-CZ 4.26Å; V242-F278 HydrophobicContact CB-CE1 4.48Å; V242-F278 HydrophobicContact CB-CE2 4.06Å; V242-F278 HydrophobicContact CB-CZ 3.72Å; V242-F278 HydrophobicContact CG1-CD2 4.12Å; V242-F278 HydrophobicContact CG1-CE1 4.36Å; V242-F278 HydrophobicContact CG1-CE2 3.41Å; V242-F278 VanDerWaalsContact CG1-CE2 3.41Å; V242-F278 HydrophobicContact CG1-CZ 3.56Å; F278-L285 HydrophobicContact CD1-CD2 3.37Å; F278-L285 HydrophobicContact CD1-CG 3.95Å; F278-L285 HydrophobicContact CD2-CD2 4.46Å; F278-L285 HydrophobicContact CE1-CD1 4.38Å; F278-L285 HydrophobicContact CE1-CD2 3.44Å; F278-L285 VanDerWaalsContact CE1-CD2 3.44Å; F278-L285 HydrophobicContact CE1-CG 3.96Å; F278-L285 HydrophobicContact CE2-CD2 4.5Å; F278-L285 HydrophobicContact CG-CD2 3.94Å; F278-L285 HydrophobicContact CZ-CD2 4.04Å; F278-L299 HydrophobicContact CE1-CD1 4.21Å; F278-L299 HydrophobicContact CE1-CD2 4.37Å
279	H	91.4	Very high	93.4	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	16%	0.157	C	C	.	.			trans	-73.3	126.6	168.9	-175.1	-61.9	0	0	0	109.6	R281 Q282 L284 L286 F327	H279-R281 PolarHBondContact ND1-N 2.93Å; H279-R281 PolarHBondContact O-N 2.98Å; H279-Q282 HydrophobicContact CB-CB 4.47Å; H279-Q282 PolarHBondContact ND1-N 2.83Å; H279-Q282 PolarHBondContact NE2-OE1 3.5Å; H279-L284 HydrophobicContact CB-CB 3.8Å; H279-L284 WeakPolarHBondContact CB-O 3.21Å; H279-L284 PolarHBondContact N-O 2.79Å; H279-L286 HydrophobicContact CB-CD1 4.18Å; H279-F327 HydrophobicContact CB-CZ 4.24Å; H279-F327 AromaticContact CD2-CE2 3.67Å; H279-F327 AromaticContact CD2-CZ 3.3Å; H279-F327 WeakPolarHBondContact CD2-CZ 3.25Å; H279-F327 AromaticContact CG-CZ 3.82Å; H279-F327 AromaticContact NE2-CE2 3.86Å; H279-F327 AromaticContact NE2-CZ 3.79Å
280	P	84.4	Confident	93.4	Very high	40 Å²	40	34.3 Å²	34.3	26%	0.26	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	19.1	-168.6	31.9	-38.8	0	0	0	115
281	R	79.7	Confident	93.5	Very high	169 Å²	169	27.9 Å²	27.9	64%	0.638	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-169	-2.1	-167.4	-113.6	-168	79.5	163.6	1.8	116.2	H279 D620	H279-R281 PolarHBondContact ND1-N 2.93Å; H279-R281 PolarHBondContact O-N 2.98Å; R281-D620 IonicContact CZ-OD1 3.59Å; R281-D620 IonicContact NH1-OD1 3.46Å; R281-D620 PolarHBondContact NH1-OD1 2.85Å; R281-D620 IonicContact NH2-OD1 3.85Å; R281-D620 PolarHBondContact NH2-OD1 2.56Å
282	Q	83.8	Confident	93.4	Very high	65 Å²	65	28.7 Å²	28.7	30%	0.304	14%	0.137	S	C	.	.	S	Bend	trans	-148.8	151.3	-175.3	-69.4	179.8	-24.3	0	0	107.2	H279 L284 E341	H279-Q282 HydrophobicContact CB-CB 4.47Å; H279-Q282 PolarHBondContact ND1-N 2.83Å; H279-Q282 PolarHBondContact NE2-OE1 3.5Å; Q282-L284 HydrophobicContact CB-CD1 4.07Å; Q282-L284 HydrophobicContact CB-CG 4.1Å; Q282-L284 PolarHBondContact O-N 2.52Å; Q282-L284 VanDerWaalsContact OE1-CD1 3.28Å; Q282-E341 PolarHBondContact NE2-OE2 2.98Å
283	D	87.6	Confident	93.2	Very high	105 Å²	105	27.3 Å²	27.3	56%	0.561	13%	0.13	S	C	*	.	S	Bend	trans	-77.8	65.5	-178.8	-58.9	-32.1	0	0	0	110.8	L299	D283-L299 HydrophobicContact CB-CB 4.13Å; D283-L299 VanDerWaalsContact O-CB 3.24Å; D283-L299 WeakPolarHBondContact O-CB 3.38Å; D283-L299 PolarHBondContact O-N 3.27Å
284	L	91.2	Very high	93	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.073	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.2	-176.2	-60.4	174.4	0	0	0	111.3	M1 H279 Q282 I296 W297 L340	M1-L284 HydrophobicContact CE-CD1 3.46Å; M1-L284 VanDerWaalsContact CE-CD1 3.46Å; M1-L284 HydrophobicContact CE-CD2 3.76Å; M1-L284 HydrophobicContact CE-CG 4.28Å; M1-L284 HydrophobicContact SD-CD1 4.35Å; H279-L284 HydrophobicContact CB-CB 3.8Å; H279-L284 WeakPolarHBondContact CB-O 3.21Å; H279-L284 PolarHBondContact N-O 2.79Å; Q282-L284 HydrophobicContact CB-CD1 4.07Å; Q282-L284 HydrophobicContact CB-CG 4.1Å; Q282-L284 PolarHBondContact O-N 2.52Å; Q282-L284 VanDerWaalsContact OE1-CD1 3.28Å; L284-I296 HydrophobicContact CB-CG2 4.42Å; L284-I296 HydrophobicContact CD1-CG2 4.28Å; L284-I296 HydrophobicContact CD2-CG2 4.28Å; L284-W297 VanDerWaalsContact CA-O 3.26Å; L284-W297 WeakPolarHBondContact CA-O 3.48Å; L284-W297 WeakPolarHBondContact CD2-O 3.33Å; L284-L340 HydrophobicContact CD1-CD1 4.12Å
285	L	93.2	Very high	92.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.5	165.1	-80.3	162.7	0	0	0	109.9	V242 I252 L266 V276 F278 I296 W297 L299	V242-L285 HydrophobicContact CB-CD2 4.17Å; V242-L285 HydrophobicContact CG1-CD2 3.84Å; V242-L285 HydrophobicContact CG2-CD1 4Å; V242-L285 HydrophobicContact CG2-CD2 3.94Å; I252-L285 HydrophobicContact CD1-CD1 3.91Å; I252-L285 HydrophobicContact CG1-CD1 4.3Å; L266-L285 HydrophobicContact CD1-CD1 3.91Å; V276-L285 HydrophobicContact CG2-CD2 3.9Å; F278-L285 HydrophobicContact CD1-CD2 3.37Å; F278-L285 HydrophobicContact CD1-CG 3.95Å; F278-L285 HydrophobicContact CD2-CD2 4.46Å; F278-L285 HydrophobicContact CE1-CD1 4.38Å; F278-L285 HydrophobicContact CE1-CD2 3.44Å; F278-L285 VanDerWaalsContact CE1-CD2 3.44Å; F278-L285 HydrophobicContact CE1-CG 3.96Å; F278-L285 HydrophobicContact CE2-CD2 4.5Å; F278-L285 HydrophobicContact CG-CD2 3.94Å; F278-L285 HydrophobicContact CZ-CD2 4.04Å; L285-I296 CarbonylContact O-C 3.58Å; L285-I296 WeakPolarHBondContact O-CA 3.27Å; L285-W297 HydrophobicContact CB-CB 4.19Å; L285-W297 HydrophobicContact CB-CG 4.48Å; L285-W297 PolarHBondContact N-O 2.79Å; L285-W297 PolarHBondContact O-N 3.02Å; L285-L299 HydrophobicContact CD1-CD1 3.72Å; L285-L299 HydrophobicContact CG-CD1 4.15Å
286	L	95	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.3	165.9	-65.2	82.6	0	0	0	108.7	V276 V277 H279 R295 I296 L318 F327 F338 L340	V276-L286 CarbonylContact C-O 3.57Å; V276-L286 WeakPolarHBondContact CA-O 3.48Å; V277-L286 HydrophobicContact CG2-CB 4.06Å; V277-L286 PolarHBondContact N-O 3.05Å; V277-L286 PolarHBondContact O-N 2.94Å; H279-L286 HydrophobicContact CB-CD1 4.18Å; L286-R295 WeakPolarHBondContact CA-O 3.39Å; L286-I296 HydrophobicContact CD2-CG1 4.35Å; L286-I296 HydrophobicContact CG-CG1 4.05Å; L286-L318 HydrophobicContact CB-CD1 4.11Å; L286-F327 HydrophobicContact CD1-CD1 4.18Å; L286-F327 HydrophobicContact CD1-CE1 3.66Å; L286-F327 HydrophobicContact CD1-CZ 3.87Å; L286-F327 HydrophobicContact CD2-CB 4.27Å; L286-F327 HydrophobicContact CD2-CD1 3.61Å; L286-F327 HydrophobicContact CD2-CD2 3.98Å; L286-F327 HydrophobicContact CD2-CE1 3.93Å; L286-F327 HydrophobicContact CD2-CE2 4.3Å; L286-F327 HydrophobicContact CD2-CG 3.65Å; L286-F327 HydrophobicContact CD2-CZ 4.28Å; L286-F327 HydrophobicContact CG-CE1 4.44Å; L286-F338 HydrophobicContact CD2-CE2 4.2Å; L286-F338 HydrophobicContact CD2-CZ 4.17Å; L286-L340 HydrophobicContact CD1-CD1 4.25Å; L286-L340 HydrophobicContact CD2-CD1 4.26Å; L286-L340 HydrophobicContact CD2-CD2 4.21Å; L286-L340 HydrophobicContact CG-CD1 4.46Å
287	S	97.3	Very high	92.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.1	174.8	59.3	0	0	0	0	111.1	I250 H269 C275 I294 R295 W297 L318	I250-S287 WeakPolarHBondContact CD1-OG 3.24Å; H269-S287 PolarHBondContact NE2-OG 3.1Å; C275-S287 VanDerWaalsContact O-CA 3.29Å; C275-S287 WeakPolarHBondContact O-CA 3.45Å; S287-I294 CarbonylContact O-C 3.58Å; S287-I294 VanDerWaalsContact O-CA 3.23Å; S287-I294 WeakPolarHBondContact O-CA 3.46Å; S287-I294 WeakPolarHBondContact O-CG2 3.31Å; S287-R295 PolarHBondContact N-O 3.04Å; S287-R295 PolarHBondContact O-N 2.83Å; S287-W297 PolarHBondContact OG-NE1 2.62Å; S287-L318 VanDerWaalsContact C-CD1 3.41Å
288	D	96.5	Very high	92.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	159	173.8	77.5	-11	0	0	0	112	V273 S274 C275 S293 I294 F315 W316 V317 L318	V273-D288 VanDerWaalsContact CG1-O 3.25Å; V273-D288 WeakPolarHBondContact CG1-O 3.48Å; S274-D288 PolarHBondContact N-O 3.46Å; C275-D288 WeakPolarHBondContact CA-OD1 3.47Å; C275-D288 WeakPolarHBondContact CB-OD1 3.45Å; C275-D288 PolarHBondContact N-OD1 3.2Å; C275-D288 PolarHBondContact O-N 3.28Å; D288-S293 WeakPolarHBondContact CA-O 3.1Å; D288-I294 HydrophobicContact CB-CG1 4.19Å; D288-F315 HydrophobicContact CB-CB 3.62Å; D288-F315 HydrophobicContact CB-CG 4.33Å; D288-F315 WeakPolarHBondContact OD2-CB 3.32Å; D288-W316 PolarHBondContact OD2-N 3.39Å; D288-V317 PolarHBondContact OD2-N 2.96Å; D288-L318 HydrophobicContact CB-CD1 3.82Å; D288-L318 HydrophobicContact CB-CG 3.86Å
289	S	97.3	Very high	91.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	155.5	-169.9	174.7	0	0	0	0	113	H269 N271 N272 D291 K292 S293	H269-S289 VanDerWaalsContact CE1-CB 3.49Å; H269-S289 WeakPolarHBondContact CE1-CB 3.42Å; H269-S289 VanDerWaalsContact ND1-CB 3.25Å; H269-S289 WeakPolarHBondContact ND1-CB 3.19Å; N271-S289 PolarHBondContact O-OG 3.33Å; N271-S289 VanDerWaalsContact O-OG 3.12Å; N272-S289 WeakPolarHBondContact O-CA 3.29Å; N272-S289 WeakPolarHBondContact O-CB 3.34Å; N272-S289 PolarHBondContact O-OG 3.03Å; S289-D291 WeakPolarHBondContact CB-OD1 3.47Å; S289-D291 PolarHBondContact O-N 2.65Å; S289-D291 VanDerWaalsContact O-N 3.12Å; S289-D291 PolarHBondContact OG-N 3.25Å; S289-K292 PolarHBondContact O-N 2.9Å; S289-K292 VanDerWaalsContact O-N 3.12Å; S289-S293 PolarHBondContact N-O 3.44Å
290	E	96.4	Very high	91.7	Very high	42 Å²	42	32.2 Å²	32.2	20%	0.196	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-2.5	164.8	-66.3	-155.3	-130.7	0	0	113.8	N271 N272 K292 R314 W316	N271-E290 HydrophobicContact CB-CB 4.23Å; N271-E290 WeakPolarHBondContact ND2-CB 3.19Å; N271-E290 PolarHBondContact ND2-O 3.46Å; N272-E290 PolarHBondContact O-N 3.05Å; E290-K292 PolarHBondContact O-N 3.48Å; E290-R314 HydrophobicContact CB-CG 4.33Å; E290-R314 WeakPolarHBondContact OE2-CD 3.15Å; E290-R314 IonicContact OE2-CZ 3.18Å; E290-R314 IonicContact OE2-NE 2.86Å; E290-R314 IonicContact OE2-NH1 3.15Å; E290-R314 PolarHBondContact OE2-NH1 2.9Å; E290-W316 VanDerWaalsContact CD-CZ3 3.43Å; E290-W316 HydrophobicContact CG-CE3 4.33Å; E290-W316 HydrophobicContact CG-CH2 4.17Å; E290-W316 HydrophobicContact CG-CZ3 3.85Å; E290-W316 VanDerWaalsContact OE1-CZ3 3.22Å; E290-W316 WeakPolarHBondContact OE1-CZ3 3.48Å
291	D	94.9	Very high	91.8	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	2.2	167.4	77.9	8.6	0	0	0	113.4	H269 F270 N271 S289 S293 R309	H269-D291 VanDerWaalsContact CA-OD2 3.29Å; H269-D291 WeakPolarHBondContact CA-OD2 3.17Å; H269-D291 IonicContact CE1-OD1 2.85Å; H269-D291 IonicContact CE1-OD2 3.49Å; H269-D291 IonicContact CG-OD2 2.91Å; H269-D291 IonicContact ND1-OD1 2.7Å; H269-D291 PolarHBondContact ND1-OD1 2.99Å; H269-D291 IonicContact ND1-OD2 2.82Å; H269-D291 PolarHBondContact ND1-OD2 2.86Å; F270-D291 HydrophobicContact CB-CB 4.07Å; F270-D291 PolarHBondContact N-OD2 3.19Å; N271-D291 HydrophobicContact CB-CB 3.8Å; S289-D291 WeakPolarHBondContact CB-OD1 3.47Å; S289-D291 PolarHBondContact O-N 2.65Å; S289-D291 VanDerWaalsContact O-N 3.12Å; S289-D291 PolarHBondContact OG-N 3.25Å; D291-S293 WeakPolarHBondContact OD1-CA 3.43Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.21Å; D291-S293 PolarHBondContact OD1-N 2.88Å; D291-S293 PolarHBondContact OD1-OG 3.48Å; D291-S293 PolarHBondContact OD2-OG 3.39Å; D291-R309 PolarHBondContact O-NH1 3.01Å
292	K	94.5	Very high	92.1	Very high	71 Å²	71	32.1 Å²	32.1	31%	0.309	16%	0.162	S	C	.	.	S	Bend	trans	72.1	22.9	-179.1	-49.2	-178	-179.2	174.4	0	114.4	S289 E290 R309 R310 D311 D313 R314	S289-K292 PolarHBondContact O-N 2.9Å; S289-K292 VanDerWaalsContact O-N 3.12Å; E290-K292 PolarHBondContact O-N 3.48Å; K292-R309 WeakPolarHBondContact O-CA 3.46Å; K292-R310 WeakPolarHBondContact CB-O 3.48Å; K292-R310 PolarHBondContact O-N 3.42Å; K292-R310 VanDerWaalsContact O-N 3.11Å; K292-D311 VanDerWaalsContact CD-O 3.24Å; K292-D311 WeakPolarHBondContact CD-O 3.46Å; K292-D311 WeakPolarHBondContact CE-O 3.27Å; K292-D311 PolarHBondContact NZ-O 3.03Å; K292-D313 WeakPolarHBondContact CA-O 3.34Å; K292-D313 VanDerWaalsContact CB-O 3.26Å; K292-D313 WeakPolarHBondContact CB-O 3.3Å; K292-D313 WeakPolarHBondContact CG-O 3.37Å; K292-R314 HydrophobicContact CG-CG 4.1Å
293	S	93.8	Very high	92.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.014	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	152.7	177.4	78.5	0	0	0	0	115.1	H269 D288 S289 D291 I308	H269-S293 PolarHBondContact CE1-OG 2.96Å; D288-S293 WeakPolarHBondContact CA-O 3.1Å; S289-S293 PolarHBondContact N-O 3.44Å; D291-S293 WeakPolarHBondContact OD1-CA 3.43Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.21Å; D291-S293 PolarHBondContact OD1-N 2.88Å; D291-S293 PolarHBondContact OD1-OG 3.48Å; D291-S293 PolarHBondContact OD2-OG 3.39Å; S293-I308 CarbonylContact C-O 3.47Å; S293-I308 WeakPolarHBondContact CA-O 3.25Å; S293-I308 VanDerWaalsContact CB-O 3.31Å; S293-I308 WeakPolarHBondContact CB-O 3.41Å
294	I	94	Very high	92.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.9	160.4	-55.1	166.5	0	0	0	106.6	S287 D288 I308 F315 L318 A329 F338	S287-I294 CarbonylContact O-C 3.58Å; S287-I294 VanDerWaalsContact O-CA 3.23Å; S287-I294 WeakPolarHBondContact O-CA 3.46Å; S287-I294 WeakPolarHBondContact O-CG2 3.31Å; D288-I294 HydrophobicContact CB-CG1 4.19Å; I294-I308 HydrophobicContact CB-CB 4.34Å; I294-I308 HydrophobicContact CB-CD1 4.49Å; I294-I308 PolarHBondContact N-O 2.94Å; I294-I308 PolarHBondContact O-N 3.41Å; I294-F315 HydrophobicContact CD1-CD1 4.17Å; I294-F315 HydrophobicContact CD1-CE1 3.76Å; I294-F315 HydrophobicContact CD1-CE2 4.28Å; I294-F315 HydrophobicContact CD1-CZ 3.8Å; I294-F315 HydrophobicContact CG1-CD1 4.19Å; I294-F315 HydrophobicContact CG1-CD2 3.98Å; I294-F315 HydrophobicContact CG1-CE1 4.11Å; I294-F315 HydrophobicContact CG1-CE2 3.9Å; I294-F315 HydrophobicContact CG1-CG 4.12Å; I294-F315 HydrophobicContact CG1-CZ 3.96Å; I294-L318 HydrophobicContact CG2-CD2 4.38Å; I294-A329 HydrophobicContact CD1-CB 3.49Å; I294-A329 VanDerWaalsContact CD1-CB 3.49Å; I294-A329 HydrophobicContact CG1-CB 4.34Å; I294-F338 HydrophobicContact CD1-CE1 3.92Å; I294-F338 HydrophobicContact CD1-CZ 3.94Å; I294-F338 HydrophobicContact CG2-CZ 4.36Å
295	R	94.1	Very high	92	Very high	29 Å²	29	30.7 Å²	30.7	11%	0.109	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	142	174.8	-71.6	-178.1	176.1	-86.6	4	110.4	G268 L286 S287 W297 C304 T307	G268-R295 PolarHBondContact O-NE 2.86Å; G268-R295 VanDerWaalsContact O-NE 3.17Å; G268-R295 PolarHBondContact O-NH2 3.3Å; L286-R295 WeakPolarHBondContact CA-O 3.39Å; S287-R295 PolarHBondContact N-O 3.04Å; S287-R295 PolarHBondContact O-N 2.83Å; R295-W297 HydrophobicContact CB-CZ2 3.77Å; R295-W297 HydrophobicContact CG-CZ2 4.21Å; R295-C304 PolarHBondContact NH1-SG 3.35Å; R295-C304 VanDerWaalsContact NH1-SG 3.41Å; R295-T307 HydrophobicContact CG-CG2 4.06Å; R295-T307 PolarHBondContact NH1-OG1 3.34Å
296	I	92.9	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131	170	-57.6	114.6	0	0	0	108.3	M1 L284 L285 L286 C304 V305 S306 I308 L340	M1-I296 HydrophobicContact CE-CG2 3.93Å; M1-I296 HydrophobicContact SD-CB 4.45Å; M1-I296 HydrophobicContact SD-CG2 3.82Å; L284-I296 HydrophobicContact CB-CG2 4.42Å; L284-I296 HydrophobicContact CD1-CG2 4.28Å; L284-I296 HydrophobicContact CD2-CG2 4.28Å; L285-I296 CarbonylContact O-C 3.58Å; L285-I296 WeakPolarHBondContact O-CA 3.27Å; L286-I296 HydrophobicContact CD2-CG1 4.35Å; L286-I296 HydrophobicContact CG-CG1 4.05Å; I296-C304 CarbonylContact O-C 3.52Å; I296-V305 PolarHBondContact O-N 3.37Å; I296-S306 PolarHBondContact N-O 2.96Å; I296-S306 PolarHBondContact O-N 3.44Å; I296-I308 HydrophobicContact CD1-CD1 3.67Å; I296-I308 HydrophobicContact CD1-CG1 4.41Å; I296-L340 HydrophobicContact CD1-CD2 3.59Å; I296-L340 HydrophobicContact CG1-CD1 4.22Å; I296-L340 HydrophobicContact CG1-CD2 3.78Å; I296-L340 HydrophobicContact CG2-CD1 4.18Å
297	W	93.4	Very high	91.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141	-175.2	-43.6	81.5	0	0	0	110.5	I250 L266 R267 L284 L285 S287 R295 T303 C304	I250-W297 HydrophobicContact CD1-CZ2 3.73Å; L266-W297 HydrophobicContact CB-CD2 4.35Å; L266-W297 HydrophobicContact CB-CE3 3.95Å; L266-W297 HydrophobicContact CB-CH2 4.35Å; L266-W297 HydrophobicContact CB-CZ3 3.95Å; L266-W297 HydrophobicContact CD1-CB 3.96Å; L266-W297 HydrophobicContact CD1-CD2 3.86Å; L266-W297 HydrophobicContact CD1-CE3 4.08Å; L266-W297 HydrophobicContact CD1-CG 3.81Å; L266-W297 HydrophobicContact CG-CE3 4.45Å; R267-W297 WeakPolarHBondContact O-CH2 3.48Å; R267-W297 WeakPolarHBondContact O-CZ3 3.33Å; L284-W297 VanDerWaalsContact CA-O 3.26Å; L284-W297 WeakPolarHBondContact CA-O 3.48Å; L284-W297 WeakPolarHBondContact CD2-O 3.33Å; L285-W297 HydrophobicContact CB-CB 4.19Å; L285-W297 HydrophobicContact CB-CG 4.48Å; L285-W297 PolarHBondContact N-O 2.79Å; L285-W297 PolarHBondContact O-N 3.02Å; S287-W297 PolarHBondContact OG-NE1 2.62Å; R295-W297 HydrophobicContact CB-CZ2 3.77Å; R295-W297 HydrophobicContact CG-CZ2 4.21Å; W297-T303 WeakPolarHBondContact CA-O 3.43Å; W297-C304 HydrophobicContact CD2-CB 4.26Å; W297-C304 HydrophobicContact CE3-CB 3.64Å; W297-C304 HydrophobicContact CH2-CB 4.33Å; W297-C304 HydrophobicContact CZ3-CB 3.68Å
298	D	89.7	Confident	90.8	Very high	30 Å²	30	34.5 Å²	34.5	16%	0.16	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	118.4	169.8	-171	-44.4	0	0	0	108.2	A300 K301 R302 T303 V305	D298-A300 VanDerWaalsContact C-N 3.31Å; D298-A300 WeakPolarHBondContact OD1-CA 3.5Å; D298-A300 WeakPolarHBondContact OD1-CB 3.32Å; D298-A300 PolarHBondContact OD1-N 3.4Å; D298-K301 HydrophobicContact CB-CB 3.97Å; D298-K301 HydrophobicContact CB-CG 4.49Å; D298-K301 PolarHBondContact OD1-N 3.26Å; D298-K301 VanDerWaalsContact OD2-CD 3.28Å; D298-K301 WeakPolarHBondContact OD2-CD 3.4Å; D298-K301 WeakPolarHBondContact OD2-CG 3.39Å; D298-R302 VanDerWaalsContact O-CA 3.3Å; D298-R302 WeakPolarHBondContact O-CA 3.23Å; D298-R302 PolarHBondContact O-N 3.5Å; D298-T303 PolarHBondContact N-O 3.05Å; D298-V305 HydrophobicContact CB-CG2 3.6Å
299	L	87.9	Confident	90.3	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.068	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-27.7	-177.7	-172.4	69.3	0	0	0	111.6	I252 F278 D283 L285 R302	I252-L299 HydrophobicContact CD1-CD1 3.92Å; F278-L299 HydrophobicContact CE1-CD1 4.21Å; F278-L299 HydrophobicContact CE1-CD2 4.37Å; D283-L299 HydrophobicContact CB-CB 4.13Å; D283-L299 VanDerWaalsContact O-CB 3.24Å; D283-L299 WeakPolarHBondContact O-CB 3.38Å; D283-L299 PolarHBondContact O-N 3.27Å; L285-L299 HydrophobicContact CD1-CD1 3.72Å; L285-L299 HydrophobicContact CG-CD1 4.15Å; L299-R302 PolarHBondContact O-NE 2.98Å; L299-R302 PolarHBondContact O-NH1 3.48Å
300	A	87.3	Confident	89.7	Confident	79 Å²	79	43 Å²	43	65%	0.653	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-41.9	177.8	0	0	0	0	0	111.8	D298	D298-A300 VanDerWaalsContact C-N 3.31Å; D298-A300 WeakPolarHBondContact OD1-CA 3.5Å; D298-A300 WeakPolarHBondContact OD1-CB 3.32Å; D298-A300 PolarHBondContact OD1-N 3.4Å
301	K	86.9	Confident	88.9	Confident	134 Å²	134	46 Å²	46	58%	0.583	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8	-178.4	-56.7	-178.8	-169.1	175.7	0	114.8	D298 T303	D298-K301 HydrophobicContact CB-CB 3.97Å; D298-K301 HydrophobicContact CB-CG 4.49Å; D298-K301 PolarHBondContact OD1-N 3.26Å; D298-K301 VanDerWaalsContact OD2-CD 3.28Å; D298-K301 WeakPolarHBondContact OD2-CD 3.4Å; D298-K301 WeakPolarHBondContact OD2-CG 3.39Å; K301-T303 PolarHBondContact O-N 3.47Å; K301-T303 VanDerWaalsContact O-N 3.15Å
302	R	86.7	Confident	88.4	Confident	74 Å²	74	50.2 Å²	50.2	28%	0.279	27%	0.267	S	S	.	.			trans	59.8	22.6	177.7	-49.4	-67.7	-172.6	-154.7	-7.4	114.6	I252 D264 L266 D298 L299	I252-R302 VanDerWaalsContact CD1-NH1 3.32Å; D264-R302 WeakPolarHBondContact OD2-CB 3.49Å; D264-R302 WeakPolarHBondContact OD2-CD 3.37Å; D264-R302 WeakPolarHBondContact OD2-CG 3.44Å; D264-R302 IonicContact OD2-NE 3.66Å; L266-R302 HydrophobicContact CD2-CB 3.99Å; L266-R302 WeakPolarHBondContact CD2-O 3.39Å; D298-R302 VanDerWaalsContact O-CA 3.3Å; D298-R302 WeakPolarHBondContact O-CA 3.23Å; D298-R302 PolarHBondContact O-N 3.5Å; L299-R302 PolarHBondContact O-NE 2.98Å; L299-R302 PolarHBondContact O-NH1 3.48Å
303	T	88.1	Confident	88.2	Confident	76 Å²	76	47.2 Å²	47.2	47%	0.466	25%	0.254	S	S	.	.	S	Bend	trans	-118.1	148.2	-174	47.2	0	0	0	0	112.8	W297 D298 K301 V305	W297-T303 WeakPolarHBondContact CA-O 3.43Å; D298-T303 PolarHBondContact N-O 3.05Å; K301-T303 PolarHBondContact O-N 3.47Å; K301-T303 VanDerWaalsContact O-N 3.15Å; T303-V305 PolarHBondContact O-N 2.96Å
304	C	87.1	Confident	88.3	Confident	47 Å²	47	50.7 Å²	50.7	32%	0.318	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117	172.9	-167	0	0	0	0	110.7	R295 I296 W297	R295-C304 PolarHBondContact NH1-SG 3.35Å; R295-C304 VanDerWaalsContact NH1-SG 3.41Å; I296-C304 CarbonylContact O-C 3.52Å; W297-C304 HydrophobicContact CD2-CB 4.26Å; W297-C304 HydrophobicContact CE3-CB 3.64Å; W297-C304 HydrophobicContact CH2-CB 4.33Å; W297-C304 HydrophobicContact CZ3-CB 3.68Å
305	V	84.8	Confident	88.4	Confident	31 Å²	31	50.7 Å²	50.7	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-27.5	-177.3	-174.7	0	0	0	0	112.1	M1 I296 D298 T303	M1-V305 HydrophobicContact CE-CB 4.46Å; M1-V305 HydrophobicContact CE-CG1 4.03Å; I296-V305 PolarHBondContact O-N 3.37Å; D298-V305 HydrophobicContact CB-CG2 3.6Å; T303-V305 PolarHBondContact O-N 2.96Å
306	S	84.8	Confident	88.5	Confident	14 Å²	14	51.1 Å²	51.1	10%	0.098	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	139.9	-174.5	-178.4	0	0	0	0	110.2	I296	I296-S306 PolarHBondContact N-O 2.96Å; I296-S306 PolarHBondContact O-N 3.44Å
307	T	89.3	Confident	88.7	Confident	64 Å²	64	51.4 Å²	51.4	39%	0.393	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.1	171.7	-55.4	0	0	0	0	108.6	R295	R295-T307 HydrophobicContact CG-CG2 4.06Å; R295-T307 PolarHBondContact NH1-OG1 3.34Å
308	I	86.8	Confident	88.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.4	178.1	-59.9	153.3	0	0	0	106.5	Y3 S293 I294 I296 F338 I416	Y3-I308 HydrophobicContact CD1-CG2 4.08Å; Y3-I308 HydrophobicContact CD2-CD1 3.49Å; Y3-I308 VanDerWaalsContact CD2-CD1 3.49Å; Y3-I308 HydrophobicContact CD2-CG1 4.03Å; Y3-I308 HydrophobicContact CD2-CG2 3.9Å; Y3-I308 HydrophobicContact CE1-CG2 4.07Å; Y3-I308 HydrophobicContact CE2-CD1 4.18Å; Y3-I308 HydrophobicContact CE2-CG2 3.89Å; Y3-I308 HydrophobicContact CG-CD1 4.02Å; Y3-I308 HydrophobicContact CG-CG1 4.09Å; Y3-I308 HydrophobicContact CG-CG2 3.97Å; S293-I308 CarbonylContact C-O 3.47Å; S293-I308 WeakPolarHBondContact CA-O 3.25Å; S293-I308 VanDerWaalsContact CB-O 3.31Å; S293-I308 WeakPolarHBondContact CB-O 3.41Å; I294-I308 HydrophobicContact CB-CB 4.34Å; I294-I308 HydrophobicContact CB-CD1 4.49Å; I294-I308 PolarHBondContact N-O 2.94Å; I294-I308 PolarHBondContact O-N 3.41Å; I296-I308 HydrophobicContact CD1-CD1 3.67Å; I296-I308 HydrophobicContact CD1-CG1 4.41Å; I308-F338 HydrophobicContact CD1-CE2 4.36Å; I308-I416 HydrophobicContact CB-CD1 4.35Å; I308-I416 HydrophobicContact CG1-CD1 4.21Å; I308-I416 HydrophobicContact CG2-CD1 4.05Å
309	R	86.1	Confident	89.2	Confident	127 Å²	127	51.6 Å²	51.6	48%	0.479	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.2	-174.8	-169.5	177.3	179	79.5	3.5	111.4	D291 K292 D311	D291-R309 PolarHBondContact O-NH1 3.01Å; K292-R309 WeakPolarHBondContact O-CA 3.46Å; R309-D311 WeakPolarHBondContact CD-OD1 3.24Å; R309-D311 IonicContact CZ-OD1 2.97Å; R309-D311 IonicContact NE-OD1 3.25Å; R309-D311 PolarHBondContact NE-OD1 3.31Å; R309-D311 IonicContact NH2-OD1 2.83Å
310	R	83.7	Confident	89.5	Confident	51 Å²	51	51.9 Å²	51.9	19%	0.192	28%	0.276	C	S	.	.			trans	-128.4	104	168	-71.4	178.5	81.2	124.4	14.6	108.7	D8 K292 S312 D313 F315 H331	D8-R310 IonicContact OD1-CZ 2.81Å; D8-R310 IonicContact OD1-NH1 3.85Å; D8-R310 PolarHBondContact OD1-NH1 2.65Å; D8-R310 IonicContact OD1-NH2 3.96Å; D8-R310 PolarHBondContact OD1-NH2 3.2Å; D8-R310 IonicContact OD2-CZ 3.45Å; D8-R310 IonicContact OD2-NH1 3.41Å; D8-R310 IonicContact OD2-NH2 2.7Å; D8-R310 PolarHBondContact OD2-NH2 3.27Å; K292-R310 WeakPolarHBondContact CB-O 3.48Å; K292-R310 PolarHBondContact O-N 3.42Å; K292-R310 VanDerWaalsContact O-N 3.11Å; R310-S312 PolarHBondContact O-N 2.87Å; R310-D313 HydrophobicContact CB-CB 3.79Å; R310-D313 IonicContact CZ-OD2 2.84Å; R310-D313 IonicContact NE-OD2 3.61Å; R310-D313 PolarHBondContact NE-OD2 3.3Å; R310-D313 IonicContact NH2-OD2 2.61Å; R310-D313 PolarHBondContact O-N 3.29Å; R310-F315 HydrophobicContact CB-CE2 4.4Å; R310-F315 HydrophobicContact CB-CZ 4.34Å; R310-F315 HydrophobicContact CG-CE2 4.4Å; R310-F315 HydrophobicContact CG-CZ 3.91Å; R310-H331 VanDerWaalsContact CZ-CE1 3.44Å; R310-H331 PolarHBondContact NH1-CE1 3.1Å; R310-H331 PolarHBondContact NH1-NE2 3.25Å; R310-H331 VanDerWaalsContact NH1-NE2 3.1Å
311	D	80.3	Confident	89.7	Confident	106 Å²	106	48.6 Å²	48.6	57%	0.567	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.1	-168.5	-61.3	-69.4	0	0	0	115.7	K292 R309	K292-D311 VanDerWaalsContact CD-O 3.24Å; K292-D311 WeakPolarHBondContact CD-O 3.46Å; K292-D311 WeakPolarHBondContact CE-O 3.27Å; K292-D311 PolarHBondContact NZ-O 3.03Å; R309-D311 WeakPolarHBondContact CD-OD1 3.24Å; R309-D311 IonicContact CZ-OD1 2.97Å; R309-D311 IonicContact NE-OD1 3.25Å; R309-D311 PolarHBondContact NE-OD1 3.31Å; R309-D311 IonicContact NH2-OD1 2.83Å
312	S	84.8	Confident	89.5	Confident	101 Å²	101	45.7 Å²	45.7	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-10.5	175	-50.5	0	0	0	0	115	R310	R310-S312 PolarHBondContact O-N 2.87Å
313	D	89.7	Confident	89.3	Confident	7 Å²	7	50 Å²	50	4%	0.037	26%	0.263	C	S	.	.			trans	-128.8	117.7	-163.2	-79	-66.5	0	0	0	111.7	K292 R310 H331 T333	K292-D313 WeakPolarHBondContact CA-O 3.34Å; K292-D313 VanDerWaalsContact CB-O 3.26Å; K292-D313 WeakPolarHBondContact CB-O 3.3Å; K292-D313 WeakPolarHBondContact CG-O 3.37Å; R310-D313 HydrophobicContact CB-CB 3.79Å; R310-D313 IonicContact CZ-OD2 2.84Å; R310-D313 IonicContact NE-OD2 3.61Å; R310-D313 PolarHBondContact NE-OD2 3.3Å; R310-D313 IonicContact NH2-OD2 2.61Å; R310-D313 PolarHBondContact O-N 3.29Å; D313-H331 HydrophobicContact CB-CB 4Å; D313-H331 IonicContact OD1-CE1 3.54Å; D313-H331 IonicContact OD1-CG 3.68Å; D313-H331 IonicContact OD1-ND1 2.65Å; D313-H331 PolarHBondContact OD1-ND1 3.16Å; D313-H331 IonicContact OD2-CE1 3.36Å; D313-H331 IonicContact OD2-ND1 2.7Å; D313-T333 WeakPolarHBondContact OD1-CB 3.49Å; D313-T333 WeakPolarHBondContact OD1-CG2 3.33Å; D313-T333 PolarHBondContact OD1-N 3.37Å; D313-T333 PolarHBondContact OD1-OG1 2.88Å; D313-T333 PolarHBondContact OD2-OG1 3.3Å
314	R	95.3	Very high	89	Confident	76 Å²	76	48.4 Å²	48.4	29%	0.287	25%	0.251	S	S	.	.			trans	-76.3	142.9	159.5	-67.2	178.9	-69.5	-176.4	-7.8	109.7	E290 K292 W316 H331 D332	E290-R314 HydrophobicContact CB-CG 4.33Å; E290-R314 WeakPolarHBondContact OE2-CD 3.15Å; E290-R314 IonicContact OE2-CZ 3.18Å; E290-R314 IonicContact OE2-NE 2.86Å; E290-R314 IonicContact OE2-NH1 3.15Å; E290-R314 PolarHBondContact OE2-NH1 2.9Å; K292-R314 HydrophobicContact CG-CG 4.1Å; R314-W316 HydrophobicContact CB-CZ2 4.38Å; R314-W316 VanDerWaalsContact CZ-CZ2 3.5Å; R314-H331 CarbonylContact O-C 3.58Å; R314-H331 WeakPolarHBondContact O-CA 3.3Å; R314-H331 WeakPolarHBondContact O-CB 3.43Å; R314-D332 WeakPolarHBondContact CB-OD2 3.39Å; R314-D332 IonicContact CZ-OD2 3.77Å; R314-D332 IonicContact NE-OD2 3.49Å; R314-D332 PolarHBondContact NE-OD2 3.13Å; R314-D332 IonicContact NH2-OD1 2.7Å; R314-D332 IonicContact NH2-OD2 4Å; R314-D332 PolarHBondContact NH2-OD2 3.49Å; R314-D332 PolarHBondContact O-N 2.94Å
315	F	96.3	Very high	88.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	155.8	171.5	-65.7	-81.5	0	0	0	110.8	D288 I294 R310 A329 G330 H331 V336	D288-F315 HydrophobicContact CB-CB 3.62Å; D288-F315 HydrophobicContact CB-CG 4.33Å; D288-F315 WeakPolarHBondContact OD2-CB 3.32Å; I294-F315 HydrophobicContact CD1-CD1 4.17Å; I294-F315 HydrophobicContact CD1-CE1 3.76Å; I294-F315 HydrophobicContact CD1-CE2 4.28Å; I294-F315 HydrophobicContact CD1-CZ 3.8Å; I294-F315 HydrophobicContact CG1-CD1 4.19Å; I294-F315 HydrophobicContact CG1-CD2 3.98Å; I294-F315 HydrophobicContact CG1-CE1 4.11Å; I294-F315 HydrophobicContact CG1-CE2 3.9Å; I294-F315 HydrophobicContact CG1-CG 4.12Å; I294-F315 HydrophobicContact CG1-CZ 3.96Å; R310-F315 HydrophobicContact CB-CE2 4.4Å; R310-F315 HydrophobicContact CB-CZ 4.34Å; R310-F315 HydrophobicContact CG-CE2 4.4Å; R310-F315 HydrophobicContact CG-CZ 3.91Å; F315-A329 HydrophobicContact CD1-CB 3.67Å; F315-A329 HydrophobicContact CE1-CB 3.81Å; F315-G330 CarbonylContact C-O 3.58Å; F315-G330 VanDerWaalsContact CA-O 3.3Å; F315-G330 WeakPolarHBondContact CA-O 3.26Å; F315-H331 HydrophobicContact CD1-CB 3.77Å; F315-H331 HydrophobicContact CE1-CB 4.08Å; F315-H331 AromaticContact CE1-CD2 3.82Å; F315-H331 HydrophobicContact CG-CB 4.37Å; F315-V336 HydrophobicContact CE1-CG1 4.34Å
316	W	96.6	Very high	89	Confident	37 Å²	37	45.8 Å²	45.8	14%	0.14	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	-16.4	-168.5	-64.2	114.3	0	0	0	114.9	K15 D288 E290 R314 G330 D332	K15-W316 HydrophobicContact CD-CB 4.28Å; K15-W316 HydrophobicContact CD-CG 4.4Å; K15-W316 VanDerWaalsContact NZ-CD2 3.29Å; D288-W316 PolarHBondContact OD2-N 3.39Å; E290-W316 VanDerWaalsContact CD-CZ3 3.43Å; E290-W316 HydrophobicContact CG-CE3 4.33Å; E290-W316 HydrophobicContact CG-CH2 4.17Å; E290-W316 HydrophobicContact CG-CZ3 3.85Å; E290-W316 VanDerWaalsContact OE1-CZ3 3.22Å; E290-W316 WeakPolarHBondContact OE1-CZ3 3.48Å; R314-W316 HydrophobicContact CB-CZ2 4.38Å; R314-W316 VanDerWaalsContact CZ-CZ2 3.5Å; W316-G330 PolarHBondContact N-O 3.45Å; W316-D332 PolarHBondContact NE1-OD1 3.21Å
317	V	97.3	Very high	89.5	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	128.1	-171.1	54.9	0	0	0	0	110.2	V14 L17 D288 A329 G330	V14-V317 HydrophobicContact CG1-CG1 4.32Å; L17-V317 HydrophobicContact CB-CG2 4.49Å; L17-V317 HydrophobicContact CD1-CG1 4.17Å; L17-V317 HydrophobicContact CG-CG1 4.22Å; D288-V317 PolarHBondContact OD2-N 2.96Å; V317-A329 CarbonylContact O-C 3.58Å; V317-A329 WeakPolarHBondContact O-CA 3.08Å; V317-G330 PolarHBondContact O-N 2.89Å
318	L	96.4	Very high	89.8	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	146.5	168.4	-79	167.4	0	0	0	111	C275 V277 L286 S287 D288 I294 A328 A329 F338	C275-L318 HydrophobicContact CB-CB 4.21Å; C275-L318 PolarHBondContact SG-N 3.32Å; V277-L318 HydrophobicContact CG1-CB 4.18Å; V277-L318 HydrophobicContact CG2-CB 4Å; V277-L318 HydrophobicContact CG2-CD1 4.34Å; L286-L318 HydrophobicContact CB-CD1 4.11Å; S287-L318 VanDerWaalsContact C-CD1 3.41Å; D288-L318 HydrophobicContact CB-CD1 3.82Å; D288-L318 HydrophobicContact CB-CG 3.86Å; I294-L318 HydrophobicContact CG2-CD2 4.38Å; L318-A328 WeakPolarHBondContact CA-O 3.45Å; L318-A329 HydrophobicContact CD2-CB 3.72Å; L318-F338 HydrophobicContact CD2-CZ 4.47Å
319	N	96.4	Very high	90.2	Very high	36 Å²	36	42 Å²	42	19%	0.193	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.1	163.1	-162.2	-60.9	0	0	0	110.5	L17 F19 F327 A328	L17-N319 HydrophobicContact CB-CB 4.04Å; L17-N319 PolarHBondContact O-ND2 3.29Å; F19-N319 HydrophobicContact CD2-CB 4.46Å; N319-F327 WeakPolarHBondContact O-CA 3.49Å; N319-A328 PolarHBondContact N-O 3.09Å; N319-A328 PolarHBondContact O-N 2.9Å
320	A	94.1	Very high	90.7	Very high	19 Å²	19	36 Å²	36	16%	0.157	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.5	-179.4	0	0	0	0	0	110.4	V277 F327	V277-A320 HydrophobicContact CG2-CB 4.28Å; A320-F327 HydrophobicContact CB-CD1 3.68Å; A320-F327 HydrophobicContact CB-CE1 3.48Å; A320-F327 VanDerWaalsContact CB-CE1 3.48Å
321	H	92.2	Very high	91.3	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.046	18%	0.177	C	C	.	.			trans	-67.3	122.4	-179.8	-176.6	-73.7	0	0	0	110.6	F19 Y40 K323 L324 L326	F19-H321 HydrophobicContact CB-CB 4.47Å; F19-H321 HydrophobicContact CD1-CB 4.34Å; F19-H321 AromaticContact CD1-CD2 3.74Å; F19-H321 HydrophobicContact CD2-CB 3.76Å; F19-H321 HydrophobicContact CE2-CB 3.95Å; F19-H321 HydrophobicContact CG-CB 3.96Å; F19-H321 AromaticContact CG-CD2 3.82Å; F19-H321 HydrophobicContact CZ-CB 4.32Å; Y40-H321 PolarHBondContact OH-CD2 3.15Å; Y40-H321 PolarHBondContact OH-NE2 3.35Å; H321-K323 PolarHBondContact O-N 3.23Å; H321-L324 HydrophobicContact CB-CB 4.29Å; H321-L324 WeakPolarHBondContact ND1-CB 3.33Å; H321-L324 WeakPolarHBondContact ND1-CG 3.42Å; H321-L324 PolarHBondContact ND1-N 3.24Å; H321-L324 PolarHBondContact O-N 3.11Å; H321-L324 VanDerWaalsContact O-N 3.08Å; H321-L326 HydrophobicContact CB-CB 3.9Å; H321-L326 HydrophobicContact CB-CD2 4.21Å; H321-L326 HydrophobicContact CB-CG 4.48Å; H321-L326 VanDerWaalsContact CB-O 3.32Å; H321-L326 WeakPolarHBondContact CB-O 3.34Å; H321-L326 PolarHBondContact N-O 3.47Å
322	P	83.9	Confident	92	Very high	73 Å²	73	30.2 Å²	30.2	47%	0.474	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-7.5	-160.6	22.8	-35.6	0	0	0	116.7
323	K	80.5	Confident	92.4	Very high	163 Å²	163	28.3 Å²	28.3	71%	0.709	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134.8	-0.3	178.9	-62.2	-168	177	-169.4	0	115.4	H321	H321-K323 PolarHBondContact O-N 3.23Å
324	L	82	Confident	92.7	Very high	43 Å²	43	28 Å²	28	23%	0.225	14%	0.142	C	C	.	.	S	Bend	trans	-131.4	146.2	-171.4	-62.1	176.3	0	0	0	110.2	H321 L326	H321-L324 HydrophobicContact CB-CB 4.29Å; H321-L324 WeakPolarHBondContact ND1-CB 3.33Å; H321-L324 WeakPolarHBondContact ND1-CG 3.42Å; H321-L324 PolarHBondContact ND1-N 3.24Å; H321-L324 PolarHBondContact O-N 3.11Å; H321-L324 VanDerWaalsContact O-N 3.08Å; L324-L326 HydrophobicContact CB-CB 4.04Å; L324-L326 PolarHBondContact O-N 3.22Å
325	N	83.1	Confident	92.6	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.102	13%	0.128	C	C	.	.	S	Bend	trans	-66.3	85.7	159	179.9	-34.1	0	0	0	106.6	K339 L340	N325-K339 WeakPolarHBondContact O-CD 3.48Å; N325-K339 WeakPolarHBondContact O-CE 3.23Å; N325-K339 WeakPolarHBondContact O-CG 3.34Å; N325-K339 PolarHBondContact O-NZ 3.48Å; N325-L340 PolarHBondContact OD1-N 3.12Å; N325-L340 VanDerWaalsContact OD1-N 3.07Å
326	L	89.9	Confident	92.5	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	13%	0.129	C	C	.	.			trans	-159.1	122.3	-179.4	-174.2	80.1	0	0	0	106.9	K6 F19 Y40 H321 L324 V337 F338 K339	K6-L326 HydrophobicContact CG-CD1 4.17Å; F19-L326 HydrophobicContact CD1-CD2 4.4Å; F19-L326 HydrophobicContact CE1-CD2 3.6Å; F19-L326 HydrophobicContact CE1-CG 4.22Å; F19-L326 HydrophobicContact CZ-CD2 3.86Å; F19-L326 HydrophobicContact CZ-CG 3.96Å; Y40-L326 HydrophobicContact CD2-CD2 4.02Å; Y40-L326 HydrophobicContact CE1-CD2 4.11Å; Y40-L326 HydrophobicContact CE2-CD2 3.4Å; Y40-L326 VanDerWaalsContact CZ-CD2 3.45Å; H321-L326 HydrophobicContact CB-CB 3.9Å; H321-L326 HydrophobicContact CB-CD2 4.21Å; H321-L326 HydrophobicContact CB-CG 4.48Å; H321-L326 VanDerWaalsContact CB-O 3.32Å; H321-L326 WeakPolarHBondContact CB-O 3.34Å; H321-L326 PolarHBondContact N-O 3.47Å; L324-L326 HydrophobicContact CB-CB 4.04Å; L324-L326 PolarHBondContact O-N 3.22Å; L326-V337 HydrophobicContact CD1-CG1 3.65Å; L326-V337 HydrophobicContact CD2-CG1 4.21Å; L326-V337 HydrophobicContact CG-CG1 3.87Å; L326-F338 WeakPolarHBondContact CA-O 3.48Å; L326-K339 HydrophobicContact CD1-CG 4.04Å
327	F	94.5	Very high	92.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.9	-174.8	-61.9	-83.5	0	0	0	109.2	H279 L286 N319 A320 V337 F338 L340	H279-F327 HydrophobicContact CB-CZ 4.24Å; H279-F327 AromaticContact CD2-CE2 3.67Å; H279-F327 AromaticContact CD2-CZ 3.3Å; H279-F327 WeakPolarHBondContact CD2-CZ 3.25Å; H279-F327 AromaticContact CG-CZ 3.82Å; H279-F327 AromaticContact NE2-CE2 3.86Å; H279-F327 AromaticContact NE2-CZ 3.79Å; L286-F327 HydrophobicContact CD1-CD1 4.18Å; L286-F327 HydrophobicContact CD1-CE1 3.66Å; L286-F327 HydrophobicContact CD1-CZ 3.87Å; L286-F327 HydrophobicContact CD2-CB 4.27Å; L286-F327 HydrophobicContact CD2-CD1 3.61Å; L286-F327 HydrophobicContact CD2-CD2 3.98Å; L286-F327 HydrophobicContact CD2-CE1 3.93Å; L286-F327 HydrophobicContact CD2-CE2 4.3Å; L286-F327 HydrophobicContact CD2-CG 3.65Å; L286-F327 HydrophobicContact CD2-CZ 4.28Å; L286-F327 HydrophobicContact CG-CE1 4.44Å; N319-F327 WeakPolarHBondContact O-CA 3.49Å; A320-F327 HydrophobicContact CB-CD1 3.68Å; A320-F327 HydrophobicContact CB-CE1 3.48Å; A320-F327 VanDerWaalsContact CB-CE1 3.48Å; F327-V337 CarbonylContact O-C 3.57Å; F327-V337 VanDerWaalsContact O-CA 3.27Å; F327-V337 WeakPolarHBondContact O-CA 3.44Å; F327-F338 HydrophobicContact CB-CD1 4.2Å; F327-F338 HydrophobicContact CB-CD2 4.3Å; F327-F338 HydrophobicContact CB-CE1 3.7Å; F327-F338 HydrophobicContact CB-CE2 3.82Å; F327-F338 HydrophobicContact CB-CG 4.48Å; F327-F338 HydrophobicContact CB-CZ 3.5Å; F327-F338 VanDerWaalsContact CB-CZ 3.5Å; F327-F338 HydrophobicContact CD2-CE2 4.45Å; F327-F338 HydrophobicContact CG-CE2 4.4Å; F327-F338 HydrophobicContact CG-CZ 4.36Å; F327-F338 PolarHBondContact N-O 2.94Å; F327-F338 WeakPolarHBondContact O-CD1 3.48Å; F327-F338 PolarHBondContact O-N 2.87Å; F327-L340 HydrophobicContact CD2-CG 4.16Å; F327-L340 HydrophobicContact CE2-CD1 4.08Å; F327-L340 HydrophobicContact CE2-CG 4Å
328	A	95.8	Very high	92	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.9	172.2	0	0	0	0	0	109.5	L17 F19 I26 L318 N319 V336 V337	L17-A328 HydrophobicContact CD1-CB 3.83Å; F19-A328 HydrophobicContact CE2-CB 3.82Å; F19-A328 HydrophobicContact CZ-CB 3.72Å; I26-A328 HydrophobicContact CD1-CB 3.35Å; L318-A328 WeakPolarHBondContact CA-O 3.45Å; N319-A328 PolarHBondContact N-O 3.09Å; N319-A328 PolarHBondContact O-N 2.9Å; A328-V336 VanDerWaalsContact CA-O 3.31Å; A328-V336 WeakPolarHBondContact CA-O 3.42Å; A328-V337 HydrophobicContact CB-CG2 4.09Å
329	A	96.2	Very high	91.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.5	177.1	0	0	0	0	0	110.1	I294 F315 V317 L318 F335 V336 F338	I294-A329 HydrophobicContact CD1-CB 3.49Å; I294-A329 VanDerWaalsContact CD1-CB 3.49Å; I294-A329 HydrophobicContact CG1-CB 4.34Å; F315-A329 HydrophobicContact CD1-CB 3.67Å; F315-A329 HydrophobicContact CE1-CB 3.81Å; V317-A329 CarbonylContact O-C 3.58Å; V317-A329 WeakPolarHBondContact O-CA 3.08Å; L318-A329 HydrophobicContact CD2-CB 3.72Å; A329-F335 VanDerWaalsContact O-CA 3.28Å; A329-F335 WeakPolarHBondContact O-CA 3.24Å; A329-F335 WeakPolarHBondContact O-CB 3.31Å; A329-V336 HydrophobicContact CB-CG1 4.33Å; A329-V336 PolarHBondContact N-O 3.38Å; A329-V336 PolarHBondContact O-N 3.31Å; A329-F338 HydrophobicContact CB-CE1 4.03Å
330	G	96.4	Very high	90.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.9	177.1	0	0	0	0	0	110.8	L17 F315 W316 V317	L17-G330 VanDerWaalsContact CD1-N 3.29Å; F315-G330 CarbonylContact C-O 3.58Å; F315-G330 VanDerWaalsContact CA-O 3.3Å; F315-G330 WeakPolarHBondContact CA-O 3.26Å; W316-G330 PolarHBondContact N-O 3.45Å; V317-G330 PolarHBondContact O-N 2.89Å
331	H	95.6	Very high	89.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	174.9	-174.6	54.2	93.5	0	0	0	113.2	R13 V14 R310 D313 R314 F315 T333 G334 F335	R13-H331 WeakPolarHBondContact CA-O 3.26Å; V14-H331 PolarHBondContact N-O 3.06Å; R310-H331 VanDerWaalsContact CZ-CE1 3.44Å; R310-H331 PolarHBondContact NH1-CE1 3.1Å; R310-H331 PolarHBondContact NH1-NE2 3.25Å; R310-H331 VanDerWaalsContact NH1-NE2 3.1Å; D313-H331 HydrophobicContact CB-CB 4Å; D313-H331 IonicContact OD1-CE1 3.54Å; D313-H331 IonicContact OD1-CG 3.68Å; D313-H331 IonicContact OD1-ND1 2.65Å; D313-H331 PolarHBondContact OD1-ND1 3.16Å; D313-H331 IonicContact OD2-CE1 3.36Å; D313-H331 IonicContact OD2-ND1 2.7Å; R314-H331 CarbonylContact O-C 3.58Å; R314-H331 WeakPolarHBondContact O-CA 3.3Å; R314-H331 WeakPolarHBondContact O-CB 3.43Å; F315-H331 HydrophobicContact CD1-CB 3.77Å; F315-H331 HydrophobicContact CE1-CB 4.08Å; F315-H331 AromaticContact CE1-CD2 3.82Å; F315-H331 HydrophobicContact CG-CB 4.37Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.27Å; H331-G334 PolarHBondContact N-O 2.99Å; H331-G334 PolarHBondContact ND1-N 3.21Å; H331-G334 PolarHBondContact O-N 3.06Å; H331-G334 VanDerWaalsContact O-O 3.08Å; H331-F335 WeakPolarHBondContact NE2-CA 3.31Å
332	D	95.2	Very high	89	Confident	37 Å²	37	24.1 Å²	24.1	20%	0.198	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.8	-177.6	-87.4	-33.6	0	0	0	113.8	R13 R314 W316	R13-D332 VanDerWaalsContact CA-O 3.3Å; R13-D332 WeakPolarHBondContact CA-O 3.15Å; R13-D332 IonicContact CZ-OD1 2.98Å; R13-D332 PolarHBondContact N-O 3.12Å; R13-D332 IonicContact NE-OD1 3.55Å; R13-D332 PolarHBondContact NE-OD1 3Å; R13-D332 IonicContact NH2-OD1 3.66Å; R13-D332 PolarHBondContact NH2-OD1 3.35Å; R314-D332 WeakPolarHBondContact CB-OD2 3.39Å; R314-D332 IonicContact CZ-OD2 3.77Å; R314-D332 IonicContact NE-OD2 3.49Å; R314-D332 PolarHBondContact NE-OD2 3.13Å; R314-D332 IonicContact NH2-OD1 2.7Å; R314-D332 IonicContact NH2-OD2 4Å; R314-D332 PolarHBondContact NH2-OD2 3.49Å; R314-D332 PolarHBondContact O-N 2.94Å; W316-D332 PolarHBondContact NE1-OD1 3.21Å
333	T	93.9	Very high	88.7	Confident	61 Å²	61	22.6 Å²	22.6	37%	0.374	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	10.7	178.4	69.2	0	0	0	0	116	K10 S11 D313 H331	K10-T333 WeakPolarHBondContact CA-O 3.48Å; S11-T333 PolarHBondContact N-O 3.1Å; S11-T333 CarbonylContact O-C 3.52Å; S11-T333 VanDerWaalsContact O-C 3.23Å; D313-T333 WeakPolarHBondContact OD1-CB 3.49Å; D313-T333 WeakPolarHBondContact OD1-CG2 3.33Å; D313-T333 PolarHBondContact OD1-N 3.37Å; D313-T333 PolarHBondContact OD1-OG1 2.88Å; D313-T333 PolarHBondContact OD2-OG1 3.3Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.27Å
334	G	94.5	Very high	89.1	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.5	-132.3	173.6	0	0	0	0	0	114.5	C9 S11 V14 H331	C9-G334 WeakPolarHBondContact O-CA 3.46Å; S11-G334 VanDerWaalsContact OG-CA 3.31Å; S11-G334 WeakPolarHBondContact OG-CA 3.49Å; V14-G334 WeakPolarHBondContact CB-O 3.33Å; V14-G334 VanDerWaalsContact CG2-O 3.27Å; V14-G334 WeakPolarHBondContact CG2-O 3.34Å; H331-G334 PolarHBondContact N-O 2.99Å; H331-G334 PolarHBondContact ND1-N 3.21Å; H331-G334 PolarHBondContact O-N 3.06Å; H331-G334 VanDerWaalsContact O-O 3.08Å
335	F	95.1	Very high	89.4	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	153.1	174.3	72.7	-79.7	0	0	0	113.9	F7 C9 V14 L17 I26 S28 W38 A329 H331 V337	F7-F335 HydrophobicContact CD1-CE2 4.13Å; F7-F335 HydrophobicContact CD1-CZ 4.29Å; F7-F335 HydrophobicContact CE1-CE1 4.44Å; F7-F335 AromaticContact CE1-CE2 3.96Å; F7-F335 HydrophobicContact CE1-CE2 3.96Å; F7-F335 AromaticContact CE1-CZ 3.66Å; F7-F335 HydrophobicContact CE1-CZ 3.66Å; C9-F335 HydrophobicContact CB-CD1 3.69Å; C9-F335 HydrophobicContact CB-CE1 3.54Å; C9-F335 HydrophobicContact CB-CG 4.29Å; C9-F335 HydrophobicContact CB-CZ 4.04Å; C9-F335 PolarHBondContact N-O 3.4Å; C9-F335 PolarHBondContact O-N 3.23Å; V14-F335 HydrophobicContact CB-CB 4.45Å; V14-F335 HydrophobicContact CG1-CB 4.47Å; V14-F335 HydrophobicContact CG2-CB 4.05Å; V14-F335 HydrophobicContact CG2-CD1 3.95Å; V14-F335 HydrophobicContact CG2-CG 4.44Å; L17-F335 HydrophobicContact CD1-CB 4.36Å; L17-F335 HydrophobicContact CD2-CB 4.18Å; L17-F335 HydrophobicContact CD2-CD1 4.5Å; L17-F335 HydrophobicContact CD2-CD2 3.85Å; L17-F335 HydrophobicContact CD2-CE2 4.31Å; L17-F335 HydrophobicContact CD2-CG 3.95Å; I26-F335 HydrophobicContact CD1-CD2 4.42Å; I26-F335 HydrophobicContact CD1-CE2 4.03Å; I26-F335 HydrophobicContact CG2-CE2 3.82Å; I26-F335 HydrophobicContact CG2-CZ 4Å; S28-F335 VanDerWaalsContact CB-CE1 3.5Å; S28-F335 WeakPolarHBondContact OG-CE1 3.32Å; W38-F335 HydrophobicContact CB-CZ 4.42Å; W38-F335 AromaticContact CD1-CE1 3.91Å; W38-F335 AromaticContact CD1-CZ 3.79Å; W38-F335 HydrophobicContact CG-CZ 4.09Å; W38-F335 AromaticContact NE1-CE1 3.97Å; A329-F335 VanDerWaalsContact O-CA 3.28Å; A329-F335 WeakPolarHBondContact O-CA 3.24Å; A329-F335 WeakPolarHBondContact O-CB 3.31Å; H331-F335 WeakPolarHBondContact NE2-CA 3.31Å; F335-V337 HydrophobicContact CD2-CG2 4Å; F335-V337 HydrophobicContact CE2-CG2 3.77Å
336	V	93.1	Very high	89.8	Confident	1 Å²	1	14 Å²	14	1%	0.006	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131	177.4	65	0	0	0	0	111.7	Y3 F7 D8 F315 A328 A329 F338	Y3-V336 WeakPolarHBondContact OH-CG2 3.38Å; F7-V336 WeakPolarHBondContact O-CG2 3.48Å; D8-V336 HydrophobicContact CB-CG2 4.22Å; F315-V336 HydrophobicContact CE1-CG1 4.34Å; A328-V336 VanDerWaalsContact CA-O 3.31Å; A328-V336 WeakPolarHBondContact CA-O 3.42Å; A329-V336 HydrophobicContact CB-CG1 4.33Å; A329-V336 PolarHBondContact N-O 3.38Å; A329-V336 PolarHBondContact O-N 3.31Å; V336-F338 HydrophobicContact CG1-CD1 4.35Å
337	V	92.6	Very high	90	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.7	172.2	-178.3	0	0	0	0	109	K6 F7 F19 I26 L326 F327 A328 F335	K6-V337 WeakPolarHBondContact CA-O 3.33Å; K6-V337 WeakPolarHBondContact CB-O 3.25Å; K6-V337 PolarHBondContact N-O 2.81Å; F7-V337 HydrophobicContact CB-CB 4.2Å; F7-V337 HydrophobicContact CB-CG2 4.49Å; F7-V337 HydrophobicContact CD1-CG2 4.16Å; F7-V337 PolarHBondContact N-O 2.66Å; F7-V337 PolarHBondContact O-N 2.88Å; F19-V337 HydrophobicContact CE1-CG1 4.31Å; F19-V337 HydrophobicContact CZ-CG1 4.11Å; I26-V337 HydrophobicContact CD1-CG2 4.13Å; L326-V337 HydrophobicContact CD1-CG1 3.65Å; L326-V337 HydrophobicContact CD2-CG1 4.21Å; L326-V337 HydrophobicContact CG-CG1 3.87Å; F327-V337 CarbonylContact O-C 3.57Å; F327-V337 VanDerWaalsContact O-CA 3.27Å; F327-V337 WeakPolarHBondContact O-CA 3.44Å; A328-V337 HydrophobicContact CB-CG2 4.09Å; F335-V337 HydrophobicContact CD2-CG2 4Å; F335-V337 HydrophobicContact CE2-CG2 3.77Å
338	F	90.2	Very high	89.9	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	176.5	-170.3	65.7	-82.7	0	0	0	113.2	Y3 L286 I294 I308 L318 L326 F327 A329 V336 L340	Y3-F338 HydrophobicContact CD2-CB 3.92Å; Y3-F338 AromaticContact CD2-CD2 3.66Å; Y3-F338 HydrophobicContact CD2-CD2 3.66Å; Y3-F338 HydrophobicContact CD2-CE2 4.37Å; Y3-F338 AromaticContact CD2-CG 3.9Å; Y3-F338 HydrophobicContact CD2-CG 3.9Å; Y3-F338 HydrophobicContact CE2-CB 3.48Å; Y3-F338 VanDerWaalsContact CE2-CB 3.48Å; Y3-F338 HydrophobicContact CE2-CD1 4.03Å; Y3-F338 AromaticContact CE2-CD2 3.7Å; Y3-F338 HydrophobicContact CE2-CD2 3.7Å; Y3-F338 HydrophobicContact CE2-CE2 4.41Å; Y3-F338 AromaticContact CE2-CG 3.48Å; Y3-F338 HydrophobicContact CE2-CG 3.48Å; Y3-F338 VanDerWaalsContact CE2-CG 3.48Å; L286-F338 HydrophobicContact CD2-CE2 4.2Å; L286-F338 HydrophobicContact CD2-CZ 4.17Å; I294-F338 HydrophobicContact CD1-CE1 3.92Å; I294-F338 HydrophobicContact CD1-CZ 3.94Å; I294-F338 HydrophobicContact CG2-CZ 4.36Å; I308-F338 HydrophobicContact CD1-CE2 4.36Å; L318-F338 HydrophobicContact CD2-CZ 4.47Å; L326-F338 WeakPolarHBondContact CA-O 3.48Å; F327-F338 HydrophobicContact CB-CD1 4.2Å; F327-F338 HydrophobicContact CB-CD2 4.3Å; F327-F338 HydrophobicContact CB-CE1 3.7Å; F327-F338 HydrophobicContact CB-CE2 3.82Å; F327-F338 HydrophobicContact CB-CG 4.48Å; F327-F338 HydrophobicContact CB-CZ 3.5Å; F327-F338 VanDerWaalsContact CB-CZ 3.5Å; F327-F338 HydrophobicContact CD2-CE2 4.45Å; F327-F338 HydrophobicContact CG-CE2 4.4Å; F327-F338 HydrophobicContact CG-CZ 4.36Å; F327-F338 PolarHBondContact N-O 2.94Å; F327-F338 WeakPolarHBondContact O-CD1 3.48Å; F327-F338 PolarHBondContact O-N 2.87Å; A329-F338 HydrophobicContact CB-CE1 4.03Å; V336-F338 HydrophobicContact CG1-CD1 4.35Å; F338-L340 HydrophobicContact CD2-CD2 4.31Å; F338-L340 HydrophobicContact CE2-CD2 3.87Å
339	K	85.2	Confident	89.7	Confident	11 Å²	11	19.4 Å²	19.4	5%	0.048	10%	0.099	C	C	.	.			trans	-133.1	155.7	170.3	-64.5	-165.3	179	-113.7	0	110.3	S2 L4 K6 N325 L326 E343	S2-K339 VanDerWaalsContact O-O 3.13Å; L4-K339 HydrophobicContact CB-CB 4.47Å; L4-K339 PolarHBondContact N-O 3.45Å; L4-K339 PolarHBondContact O-N 2.86Å; K6-K339 HydrophobicContact CD-CG 4.43Å; K6-K339 HydrophobicContact CG-CG 4.23Å; N325-K339 WeakPolarHBondContact O-CD 3.48Å; N325-K339 WeakPolarHBondContact O-CE 3.23Å; N325-K339 WeakPolarHBondContact O-CG 3.34Å; N325-K339 PolarHBondContact O-NZ 3.48Å; L326-K339 HydrophobicContact CD1-CG 4.04Å; K339-E343 HydrophobicContact CD-CG 4.44Å; K339-E343 WeakPolarHBondContact CD-OE2 3.16Å; K339-E343 WeakPolarHBondContact CE-OE2 3.32Å; K339-E343 IonicContact NZ-OE1 2.98Å; K339-E343 PolarHBondContact NZ-OE1 3.09Å; K339-E343 IonicContact NZ-OE2 2.98Å; K339-E343 PolarHBondContact NZ-OE2 2.93Å
340	L	81.1	Confident	89.3	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.114	C	C	.	.	S	Bend	trans	-87.5	-26.6	176.7	-58.9	-174.1	0	0	0	113.3	M1 S2 L284 L286 I296 N325 F327 F338	M1-L340 WeakPolarHBondContact CB-O 3.35Å; M1-L340 HydrophobicContact SD-CB 3.96Å; M1-L340 HydrophobicContact SD-CD1 3.96Å; M1-L340 HydrophobicContact SD-CG 4.39Å; S2-L340 CarbonylContact C-O 3.55Å; S2-L340 PolarHBondContact N-O 2.76Å; S2-L340 CarbonylContact O-C 3.54Å; S2-L340 VanDerWaalsContact O-C 3.28Å; L284-L340 HydrophobicContact CD1-CD1 4.12Å; L286-L340 HydrophobicContact CD1-CD1 4.25Å; L286-L340 HydrophobicContact CD2-CD1 4.26Å; L286-L340 HydrophobicContact CD2-CD2 4.21Å; L286-L340 HydrophobicContact CG-CD1 4.46Å; I296-L340 HydrophobicContact CD1-CD2 3.59Å; I296-L340 HydrophobicContact CG1-CD1 4.22Å; I296-L340 HydrophobicContact CG1-CD2 3.78Å; I296-L340 HydrophobicContact CG2-CD1 4.18Å; N325-L340 PolarHBondContact OD1-N 3.12Å; N325-L340 VanDerWaalsContact OD1-N 3.07Å; F327-L340 HydrophobicContact CD2-CG 4.16Å; F327-L340 HydrophobicContact CE2-CD1 4.08Å; F327-L340 HydrophobicContact CE2-CG 4Å; F338-L340 HydrophobicContact CD2-CD2 4.31Å; F338-L340 HydrophobicContact CE2-CD2 3.87Å
341	E	73.7	Confident	88.9	Confident	43 Å²	43	30.2 Å²	30.2	20%	0.201	14%	0.144	C	C	.	.	S	Bend	trans	-134.5	161.3	-176.1	-60.5	-167.7	113.8	0	0	111.5	Q282	Q282-E341 PolarHBondContact NE2-OE2 2.98Å
342	R	76.5	Confident	88.6	Confident	49 Å²	49	32.9 Å²	32.9	19%	0.185	16%	0.159	C	C	.	.			trans	-84.4	140.2	169.7	148.1	-180	171.4	162.6	-7.5	108.9	L4 R344 Q384 V386	L4-R342 HydrophobicContact CD1-CB 4Å; R342-R344 HydrophobicContact CG-CB 4.33Å; R342-R344 PolarHBondContact NE-O 3.48Å; R342-R344 PolarHBondContact NH2-O 3.44Å; R342-Q384 VanDerWaalsContact CB-OE1 3.26Å; R342-Q384 PolarHBondContact O-NE2 2.69Å; R342-Q384 PolarHBondContact O-OE1 2.88Å; R342-V386 PolarHBondContact NH1-O 2.97Å; R342-V386 PolarHBondContact NH2-O 3.08Å
343	E	79	Confident	88.3	Confident	41 Å²	41	35 Å²	35	19%	0.192	16%	0.164	C	C	.	.			trans	-112.1	12.8	-176.4	-53.7	161.3	112.7	0	0	112.8	K339 P345 Y605 R619	K339-E343 HydrophobicContact CD-CG 4.44Å; K339-E343 WeakPolarHBondContact CD-OE2 3.16Å; K339-E343 WeakPolarHBondContact CE-OE2 3.32Å; K339-E343 IonicContact NZ-OE1 2.98Å; K339-E343 PolarHBondContact NZ-OE1 3.09Å; K339-E343 IonicContact NZ-OE2 2.98Å; K339-E343 PolarHBondContact NZ-OE2 2.93Å; E343-P345 WeakPolarHBondContact O-CD 3.06Å; E343-Y605 PolarHBondContact O-OH 2.97Å; E343-R619 HydrophobicContact CB-CB 4.25Å; E343-R619 HydrophobicContact CB-CG 3.95Å; E343-R619 VanDerWaalsContact CD-NH1 3.31Å; E343-R619 IonicContact OE1-CZ 2.7Å; E343-R619 IonicContact OE1-NE 3.64Å; E343-R619 IonicContact OE1-NH1 3.59Å; E343-R619 PolarHBondContact OE1-NH1 3.22Å; E343-R619 IonicContact OE2-CZ 2.72Å; E343-R619 IonicContact OE2-NE 3.23Å; E343-R619 IonicContact OE2-NH1 3.08Å; E343-R619 PolarHBondContact OE2-NH1 3Å
344	R	86.9	Confident	88.3	Confident	31 Å²	31	32.2 Å²	32.2	12%	0.117	15%	0.147	C	C	.	.			trans	-94.6	113.1	177.3	177.2	-179.3	-177	132.4	28.3	109.1	R342 H529 K567 S568 Y605	R342-R344 HydrophobicContact CG-CB 4.33Å; R342-R344 PolarHBondContact NE-O 3.48Å; R342-R344 PolarHBondContact NH2-O 3.44Å; R344-H529 PolarHBondContact NH1-CD2 3.5Å; R344-H529 VanDerWaalsContact NH1-CD2 3.32Å; R344-H529 PolarHBondContact NH1-CE1 2.87Å; R344-H529 PolarHBondContact NH1-NE2 3.22Å; R344-K567 PolarHBondContact NH1-O 3.11Å; R344-S568 PolarHBondContact NH2-OG 3.38Å; R344-Y605 HydrophobicContact CB-CD1 4.49Å; R344-Y605 HydrophobicContact CB-CE1 3.76Å; R344-Y605 HydrophobicContact CB-CE2 4.23Å; R344-Y605 HydrophobicContact CG-CD1 3.86Å; R344-Y605 HydrophobicContact CG-CE1 3.61Å; R344-Y605 HydrophobicContact CG-CE2 4.32Å; R344-Y605 HydrophobicContact CG-CG 4.32Å
345	P	89.2	Confident	88.2	Confident	10 Å²	10	32.5 Å²	32.5	7%	0.065	15%	0.148	C	C	.	.			trans	-56.2	150.8	172.9	-22.4	33.3	0	0	0	111.5	E343 I617 D618	E343-P345 WeakPolarHBondContact O-CD 3.06Å; P345-I617 HydrophobicContact CB-CD1 3.96Å; P345-I617 HydrophobicContact CB-CG2 4.43Å; P345-I617 HydrophobicContact CG-CD1 4.06Å; P345-I617 HydrophobicContact CG-CG1 4.18Å; P345-I617 HydrophobicContact CG-CG2 4.2Å; P345-D618 WeakPolarHBondContact CD-O 3.45Å; P345-D618 VanDerWaalsContact CG-O 3.27Å; P345-D618 WeakPolarHBondContact CG-O 3.42Å
346	A	91.2	Very high	88.1	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.033	15%	0.148	C	C	.	.			trans	-92.9	121.4	168.7	0	0	0	0	0	108.7	Y356 V357 A385 V388	A346-Y356 WeakPolarHBondContact O-CA 3.4Å; A346-V357 PolarHBondContact O-N 2.82Å; A346-A385 HydrophobicContact CB-CB 3.81Å; A346-V388 HydrophobicContact CB-CG2 3.75Å
347	F	93.5	Very high	88	Confident	40 Å²	40	32.9 Å²	32.9	18%	0.175	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.8	-178.5	70.1	-98	0	0	0	111.1	V349 F355 I606 T607 I617	F347-V349 HydrophobicContact CD2-CG2 4.45Å; F347-F355 CarbonylContact C-O 3.49Å; F347-F355 WeakPolarHBondContact CA-O 3.34Å; F347-F355 WeakPolarHBondContact CB-O 3.35Å; F347-I606 WeakPolarHBondContact CZ-O 3.43Å; F347-T607 HydrophobicContact CD1-CG2 4.28Å; F347-T607 HydrophobicContact CD2-CG2 3.96Å; F347-T607 HydrophobicContact CE1-CG2 4.01Å; F347-T607 HydrophobicContact CE2-CG2 3.7Å; F347-T607 HydrophobicContact CG-CG2 4.27Å; F347-T607 HydrophobicContact CZ-CG2 3.72Å; F347-I617 HydrophobicContact CD1-CG2 3.93Å; F347-I617 HydrophobicContact CE1-CG2 4.11Å
348	T	92.9	Very high	87.8	Confident	31 Å²	31	36.8 Å²	36.8	19%	0.19	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.2	168.8	-168.3	0	0	0	0	109.1	F355 V388 M397	T348-F355 HydrophobicContact CG2-CB 3.98Å; T348-F355 PolarHBondContact N-O 2.79Å; T348-F355 PolarHBondContact O-N 3.3Å; T348-V388 HydrophobicContact CG2-CB 4.46Å; T348-V388 HydrophobicContact CG2-CG1 3.78Å; T348-M397 HydrophobicContact CG2-CE 4.46Å; T348-M397 HydrophobicContact CG2-SD 4.3Å
349	V	91.6	Very high	87.4	Confident	47 Å²	47	41.1 Å²	41.1	29%	0.285	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.6	-176.9	171.5	0	0	0	0	109	F347 Y353 M354 F367	F347-V349 HydrophobicContact CD2-CG2 4.45Å; V349-Y353 WeakPolarHBondContact CA-O 3.27Å; V349-M354 HydrophobicContact CG2-CB 4.22Å; V349-M354 HydrophobicContact CG2-CG 4.16Å; V349-F367 HydrophobicContact CG1-CE2 3.83Å; V349-F367 HydrophobicContact CG1-CZ 4.49Å; V349-F367 HydrophobicContact CG2-CE2 4.29Å; V349-F367 HydrophobicContact CG2-CZ 4.15Å
350	Y	89.2	Confident	87.4	Confident	84 Å²	84	42.8 Å²	42.8	33%	0.329	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	120.6	174.1	172.6	-102.4	0	0	0	110	D352 Y353 Y390 P392	Y350-D352 PolarHBondContact O-N 3.23Å; Y350-Y353 PolarHBondContact N-O 3.27Å; Y350-Y353 PolarHBondContact O-N 2.99Å; Y350-Y390 HydrophobicContact CD1-CD1 4.1Å; Y350-Y390 AromaticContact CD1-CE1 3.66Å; Y350-Y390 HydrophobicContact CD1-CE1 3.66Å; Y350-Y390 HydrophobicContact CE1-CE1 4.27Å; Y350-Y390 AromaticContact CG-CD1 3.98Å; Y350-Y390 HydrophobicContact CG-CD1 3.98Å; Y350-Y390 HydrophobicContact CG-CE1 4.03Å; Y350-P392 HydrophobicContact CD1-CB 4.06Å; Y350-P392 HydrophobicContact CD2-CB 4.29Å; Y350-P392 HydrophobicContact CD2-CG 4.13Å; Y350-P392 HydrophobicContact CE1-CB 3.51Å; Y350-P392 HydrophobicContact CE1-CG 4.28Å; Y350-P392 HydrophobicContact CE2-CB 3.81Å; Y350-P392 HydrophobicContact CE2-CG 3.62Å; Y350-P392 HydrophobicContact CG-CB 4.39Å
351	K	87.8	Confident	87.8	Confident	144 Å²	144	44.9 Å²	44.9	63%	0.626	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	-128.3	-168.1	-60.7	-173.9	174.8	-171.9	0	109.7	Y353 R608	K351-Y353 VanDerWaalsContact C-N 3.31Å; K351-Y353 PolarHBondContact O-N 2.97Å; K351-R608 PolarHBondContact O-NH1 2.98Å
352	D	88.3	Confident	88.6	Confident	56 Å²	56	42.9 Å²	42.9	30%	0.299	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	12.5	-177.9	-54.6	-61.5	0	0	0	113.6	Y350 F367 R608 R610	Y350-D352 PolarHBondContact O-N 3.23Å; D352-F367 WeakPolarHBondContact O-CB 3.48Å; D352-F367 WeakPolarHBondContact O-CD2 3.43Å; D352-F367 PolarHBondContact O-N 3.47Å; D352-R608 IonicContact OD1-CZ 2.69Å; D352-R608 IonicContact OD1-NH1 3.4Å; D352-R608 PolarHBondContact OD1-NH1 3.24Å; D352-R608 IonicContact OD1-NH2 2.76Å; D352-R610 IonicContact OD1-NH1 3.01Å
353	Y	90.2	Very high	89.4	Confident	82 Å²	82	42.9 Å²	42.9	32%	0.322	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.9	175	-60	-59.5	0	0	0	112.8	V349 Y350 K351 R364 V365 D366	V349-Y353 WeakPolarHBondContact CA-O 3.27Å; Y350-Y353 PolarHBondContact N-O 3.27Å; Y350-Y353 PolarHBondContact O-N 2.99Å; K351-Y353 VanDerWaalsContact C-N 3.31Å; K351-Y353 PolarHBondContact O-N 2.97Å; Y353-R364 HydrophobicContact CD1-CG 4.02Å; Y353-R364 HydrophobicContact CG-CG 4.3Å; Y353-V365 WeakPolarHBondContact CA-O 3.3Å; Y353-D366 HydrophobicContact CD1-CB 4.25Å; Y353-D366 HydrophobicContact CE1-CB 4.06Å; Y353-D366 VanDerWaalsContact CE1-OD2 3.27Å; Y353-D366 WeakPolarHBondContact CE1-OD2 3.5Å
354	M	92	Very high	89.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.4	164.3	179.6	-178.6	70.9	0	0	109.7	V349 Y356 R364 V365 F367 T607 P623	V349-M354 HydrophobicContact CG2-CB 4.22Å; V349-M354 HydrophobicContact CG2-CG 4.16Å; M354-Y356 HydrophobicContact CE-CD1 3.93Å; M354-Y356 HydrophobicContact CE-CE1 4.28Å; M354-Y356 HydrophobicContact CE-CG 4.36Å; M354-R364 CarbonylContact O-C 3.57Å; M354-R364 VanDerWaalsContact O-CA 3.3Å; M354-R364 WeakPolarHBondContact O-CA 3.28Å; M354-V365 HydrophobicContact CE-CB 4.07Å; M354-V365 HydrophobicContact CE-CG2 3.53Å; M354-V365 PolarHBondContact N-O 3.44Å; M354-V365 PolarHBondContact O-N 3.24Å; M354-F367 HydrophobicContact CB-CE1 3.94Å; M354-F367 HydrophobicContact CB-CE2 4.31Å; M354-F367 HydrophobicContact CB-CZ 3.68Å; M354-F367 HydrophobicContact CG-CZ 4.48Å; M354-T607 HydrophobicContact SD-CG2 3.63Å; M354-P623 HydrophobicContact CE-CB 4.31Å
355	F	93.3	Very high	90.1	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.4	168.6	-65.8	-92.3	0	0	0	109.6	F347 T348 R363 R364 V375 Y390 M397 L429	F347-F355 CarbonylContact C-O 3.49Å; F347-F355 WeakPolarHBondContact CA-O 3.34Å; F347-F355 WeakPolarHBondContact CB-O 3.35Å; T348-F355 HydrophobicContact CG2-CB 3.98Å; T348-F355 PolarHBondContact N-O 2.79Å; T348-F355 PolarHBondContact O-N 3.3Å; F355-R363 CarbonylContact C-O 3.58Å; F355-R363 WeakPolarHBondContact CA-O 3.3Å; F355-R364 HydrophobicContact CD1-CB 3.98Å; F355-R364 HydrophobicContact CD1-CG 4.14Å; F355-R364 HydrophobicContact CE1-CB 4.01Å; F355-R364 HydrophobicContact CE1-CG 3.93Å; F355-R364 HydrophobicContact CZ-CG 4.16Å; F355-V375 HydrophobicContact CD1-CG2 4.31Å; F355-V375 HydrophobicContact CE1-CG2 4.35Å; F355-Y390 HydrophobicContact CD2-CD1 4.31Å; F355-Y390 HydrophobicContact CD2-CG 4.31Å; F355-Y390 AromaticContact CE2-CD1 3.86Å; F355-Y390 HydrophobicContact CE2-CD1 3.86Å; F355-Y390 HydrophobicContact CE2-CD2 4.36Å; F355-Y390 AromaticContact CE2-CE1 3.83Å; F355-Y390 HydrophobicContact CE2-CE1 3.83Å; F355-Y390 HydrophobicContact CE2-CE2 4.36Å; F355-Y390 HydrophobicContact CE2-CG 4.12Å; F355-Y390 HydrophobicContact CZ-CD2 4.49Å; F355-Y390 HydrophobicContact CZ-CE1 4.26Å; F355-Y390 HydrophobicContact CZ-CE2 4.18Å; F355-M397 HydrophobicContact CB-CE 3.63Å; F355-M397 HydrophobicContact CD1-CE 3.61Å; F355-M397 HydrophobicContact CD2-CE 4.11Å; F355-M397 HydrophobicContact CE1-CE 4.23Å; F355-M397 HydrophobicContact CG-CE 3.53Å; F355-L429 HydrophobicContact CE1-CD1 4.31Å
356	Y	93.6	Very high	90.1	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	155.2	-179	75.8	-72.4	0	0	0	112.3	A346 M354 K358 R363 V365 D372 I617 C621	A346-Y356 WeakPolarHBondContact O-CA 3.4Å; M354-Y356 HydrophobicContact CE-CD1 3.93Å; M354-Y356 HydrophobicContact CE-CE1 4.28Å; M354-Y356 HydrophobicContact CE-CG 4.36Å; Y356-K358 HydrophobicContact CD2-CB 4.43Å; Y356-K358 HydrophobicContact CE2-CB 3.97Å; Y356-R363 HydrophobicContact CD1-CB 3.91Å; Y356-R363 HydrophobicContact CE1-CB 3.44Å; Y356-R363 VanDerWaalsContact CE1-CB 3.44Å; Y356-R363 PolarHBondContact N-O 3.23Å; Y356-R363 PolarHBondContact O-N 3.34Å; Y356-V365 HydrophobicContact CD1-CG2 4.1Å; Y356-V365 HydrophobicContact CE1-CG2 3.5Å; Y356-V365 VanDerWaalsContact CE1-CG2 3.5Å; Y356-D372 PolarHBondContact OH-OD1 2.96Å; Y356-D372 PolarHBondContact OH-OD2 3.05Å; Y356-I617 HydrophobicContact CD2-CD1 3.38Å; Y356-I617 HydrophobicContact CE2-CD1 3.86Å; Y356-I617 HydrophobicContact CG-CD1 3.9Å; Y356-C621 HydrophobicContact CD2-CB 4.3Å; Y356-C621 HydrophobicContact CE2-CB 3.99Å; Y356-C621 WeakPolarHBondContact CE2-O 3.35Å
357	V	90.8	Very high	89.8	Confident	8 Å²	8	43.9 Å²	43.9	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.3	178.6	178.3	0	0	0	0	110.5	A346 L359 L362 L378 A385 V388 V399	A346-V357 PolarHBondContact O-N 2.82Å; V357-L359 HydrophobicContact CG1-CD2 3.7Å; V357-L359 HydrophobicContact CG1-CG 3.95Å; V357-L362 HydrophobicContact CG2-CD1 4.11Å; V357-L378 HydrophobicContact CB-CD1 4.37Å; V357-L378 HydrophobicContact CG1-CD1 3.66Å; V357-L378 HydrophobicContact CG2-CD1 3.82Å; V357-A385 HydrophobicContact CB-CB 3.97Å; V357-A385 HydrophobicContact CG1-CB 3.91Å; V357-A385 HydrophobicContact CG2-CB 4.02Å; V357-V388 HydrophobicContact CG2-CG2 3.76Å; V357-V399 HydrophobicContact CG2-CG1 4.43Å
358	K	88	Confident	89.3	Confident	83 Å²	83	45.6 Å²	45.6	36%	0.361	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	91.6	166.5	-173.3	171.4	-164.2	156.5	0	106.8	Y356 H361 D620 C621	Y356-K358 HydrophobicContact CD2-CB 4.43Å; Y356-K358 HydrophobicContact CE2-CB 3.97Å; K358-H361 CarbonylContact C-O 3.6Å; K358-H361 PolarHBondContact N-O 3.43Å; K358-H361 PolarHBondContact O-N 2.91Å; K358-H361 VanDerWaalsContact O-O 3.1Å; K358-D620 VanDerWaalsContact CE-O 3.28Å; K358-D620 WeakPolarHBondContact CE-O 3.37Å; K358-D620 PolarHBondContact NZ-O 3.03Å; K358-C621 HydrophobicContact CB-CB 3.98Å; K358-C621 HydrophobicContact CD-CB 3.82Å; K358-C621 WeakPolarHBondContact CD-O 3.14Å; K358-C621 HydrophobicContact CG-CB 3.81Å; K358-C621 PolarHBondContact NZ-O 2.92Å
359	L	80.6	Confident	88.8	Confident	90 Å²	90	48.8 Å²	48.8	47%	0.471	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	138.6	-168	-69.4	171	0	0	0	112.1	V357 G383	V357-L359 HydrophobicContact CG1-CD2 3.7Å; V357-L359 HydrophobicContact CG1-CG 3.95Å; L359-G383 WeakPolarHBondContact CD1-O 3.4Å
360	P	85.9	Confident	88.1	Confident	47 Å²	47	51 Å²	51	31%	0.305	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.8	1.7	6.3	34.3	-36.5	0	0	0	114.9	Q377 L378	P360-Q377 HydrophobicContact CB-CG 4.25Å; P360-L378 VanDerWaalsContact O-CB 3.32Å; P360-L378 WeakPolarHBondContact O-CB 3.46Å; P360-L378 PolarHBondContact O-N 3.13Å
361	H	90	Very high	87.8	Confident	45 Å²	45	52 Å²	52	21%	0.208	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	146.7	-170.1	-55.6	-66	0	0	0	114.7	K358 R363 P374 I376 P440	K358-H361 CarbonylContact C-O 3.6Å; K358-H361 PolarHBondContact N-O 3.43Å; K358-H361 PolarHBondContact O-N 2.91Å; K358-H361 VanDerWaalsContact O-O 3.1Å; H361-R363 HydrophobicContact CB-CG 4.16Å; H361-P374 HydrophobicContact CB-CB 4.46Å; H361-I376 WeakPolarHBondContact CA-O 3.41Å; H361-P440 WeakPolarHBondContact ND1-CG 3.38Å
362	L	91.3	Very high	87.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.1	151.3	-177.9	68.5	0	0	0	107.6	V357 V375 I376 L378 M397 L429	V357-L362 HydrophobicContact CG2-CD1 4.11Å; L362-V375 HydrophobicContact CB-CB 4.38Å; L362-V375 HydrophobicContact CD2-CB 4.21Å; L362-V375 HydrophobicContact CD2-CG1 4.18Å; L362-V375 HydrophobicContact CG-CB 4.21Å; L362-V375 HydrophobicContact CG-CG2 4.39Å; L362-V375 PolarHBondContact O-N 3.48Å; L362-I376 HydrophobicContact CB-CG1 3.78Å; L362-I376 HydrophobicContact CD2-CD1 4.26Å; L362-I376 HydrophobicContact CD2-CG1 4Å; L362-I376 PolarHBondContact N-O 3.38Å; L362-I376 VanDerWaalsContact N-O 3.08Å; L362-L378 HydrophobicContact CB-CD1 4.33Å; L362-L378 HydrophobicContact CB-CD2 4.16Å; L362-L378 HydrophobicContact CB-CG 4.23Å; L362-M397 HydrophobicContact CD1-CE 4.42Å; L362-M397 HydrophobicContact CD2-CB 4.42Å; L362-M397 HydrophobicContact CD2-CE 4.02Å; L362-M397 HydrophobicContact CD2-CG 3.99Å; L362-L429 HydrophobicContact CD2-CD1 4.36Å; L362-L429 HydrophobicContact CD2-CD2 3.91Å
363	R	91.9	Very high	87.7	Confident	49 Å²	49	45.9 Å²	45.9	19%	0.185	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	154	179.9	-60.6	-172.4	71.3	88.8	-5.5	110.8	F355 Y356 H361 D372 V373	F355-R363 CarbonylContact C-O 3.58Å; F355-R363 WeakPolarHBondContact CA-O 3.3Å; Y356-R363 HydrophobicContact CD1-CB 3.91Å; Y356-R363 HydrophobicContact CE1-CB 3.44Å; Y356-R363 VanDerWaalsContact CE1-CB 3.44Å; Y356-R363 PolarHBondContact N-O 3.23Å; Y356-R363 PolarHBondContact O-N 3.34Å; H361-R363 HydrophobicContact CB-CG 4.16Å; R363-D372 IonicContact CZ-OD1 3.83Å; R363-D372 IonicContact CZ-OD2 2.71Å; R363-D372 VanDerWaalsContact NE-CG 3.3Å; R363-D372 IonicContact NE-OD1 2.73Å; R363-D372 PolarHBondContact NE-OD1 3.38Å; R363-D372 IonicContact NE-OD2 3.3Å; R363-D372 PolarHBondContact NE-OD2 3.46Å; R363-D372 VanDerWaalsContact NH2-CG 3.29Å; R363-D372 IonicContact NH2-OD1 3.95Å; R363-D372 IonicContact NH2-OD2 3.51Å; R363-D372 PolarHBondContact NH2-OD2 3.13Å; R363-V373 CarbonylContact C-O 3.58Å; R363-V373 WeakPolarHBondContact CA-O 3.38Å
364	R	90.6	Very high	87.6	Confident	60 Å²	60	43.7 Å²	43.7	23%	0.226	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.4	177.1	-176.7	-176.2	68.2	170.8	-3.5	109.7	Y353 M354 F355 V373 V375 M433	Y353-R364 HydrophobicContact CD1-CG 4.02Å; Y353-R364 HydrophobicContact CG-CG 4.3Å; M354-R364 CarbonylContact O-C 3.57Å; M354-R364 VanDerWaalsContact O-CA 3.3Å; M354-R364 WeakPolarHBondContact O-CA 3.28Å; F355-R364 HydrophobicContact CD1-CB 3.98Å; F355-R364 HydrophobicContact CD1-CG 4.14Å; F355-R364 HydrophobicContact CE1-CB 4.01Å; F355-R364 HydrophobicContact CE1-CG 3.93Å; F355-R364 HydrophobicContact CZ-CG 4.16Å; R364-V373 PolarHBondContact N-O 2.82Å; R364-V373 PolarHBondContact O-N 3.4Å; R364-V375 HydrophobicContact CB-CG2 3.6Å; R364-M433 VanDerWaalsContact CZ-SD 3.51Å; R364-M433 PolarHBondContact NH2-SD 3.28Å; R364-M433 VanDerWaalsContact NH2-SD 3.45Å
365	V	90.4	Very high	87.5	Confident	5 Å²	5	44 Å²	44	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.7	167.6	-165.2	0	0	0	0	109.1	Y353 M354 Y356 K371 D372 P623	Y353-V365 WeakPolarHBondContact CA-O 3.3Å; M354-V365 HydrophobicContact CE-CB 4.07Å; M354-V365 HydrophobicContact CE-CG2 3.53Å; M354-V365 PolarHBondContact N-O 3.44Å; M354-V365 PolarHBondContact O-N 3.24Å; Y356-V365 HydrophobicContact CD1-CG2 4.1Å; Y356-V365 HydrophobicContact CE1-CG2 3.5Å; Y356-V365 VanDerWaalsContact CE1-CG2 3.5Å; V365-K371 WeakPolarHBondContact CA-O 3.48Å; V365-D372 HydrophobicContact CG2-CB 4.05Å; V365-P623 HydrophobicContact CG2-CB 4.33Å; V365-P623 HydrophobicContact CG2-CG 4.31Å
366	D	88.4	Confident	87.3	Confident	33 Å²	33	43.8 Å²	43.8	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.8	165.3	-174.5	-57.3	0	0	0	109.4	Y353 A368 V369 T370 K371	Y353-D366 HydrophobicContact CD1-CB 4.25Å; Y353-D366 HydrophobicContact CE1-CB 4.06Å; Y353-D366 VanDerWaalsContact CE1-OD2 3.27Å; Y353-D366 WeakPolarHBondContact CE1-OD2 3.5Å; D366-A368 VanDerWaalsContact C-N 3.35Å; D366-A368 WeakPolarHBondContact OD1-CA 3.28Å; D366-A368 WeakPolarHBondContact OD1-CB 3.37Å; D366-A368 PolarHBondContact OD1-N 3.44Å; D366-V369 PolarHBondContact OD1-N 3.03Å; D366-T370 WeakPolarHBondContact O-CA 3.34Å; D366-T370 PolarHBondContact O-N 3Å; D366-K371 PolarHBondContact N-O 2.87Å
367	F	84.9	Confident	87.1	Confident	9 Å²	9	46.1 Å²	46.1	4%	0.039	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.6	-177.8	-71.5	-45	0	0	0	114.6	V349 D352 M354 R608 Y615	V349-F367 HydrophobicContact CG1-CE2 3.83Å; V349-F367 HydrophobicContact CG1-CZ 4.49Å; V349-F367 HydrophobicContact CG2-CE2 4.29Å; V349-F367 HydrophobicContact CG2-CZ 4.15Å; D352-F367 WeakPolarHBondContact O-CB 3.48Å; D352-F367 WeakPolarHBondContact O-CD2 3.43Å; D352-F367 PolarHBondContact O-N 3.47Å; M354-F367 HydrophobicContact CB-CE1 3.94Å; M354-F367 HydrophobicContact CB-CE2 4.31Å; M354-F367 HydrophobicContact CB-CZ 3.68Å; M354-F367 HydrophobicContact CG-CZ 4.48Å; F367-R608 HydrophobicContact CE2-CB 3.85Å; F367-R608 HydrophobicContact CE2-CG 4.45Å; F367-R608 HydrophobicContact CZ-CB 3.97Å; F367-Y615 HydrophobicContact CB-CD1 4.37Å; F367-Y615 HydrophobicContact CB-CE1 3.9Å; F367-Y615 AromaticContact CD1-CD1 3.29Å; F367-Y615 HydrophobicContact CD1-CD1 3.29Å; F367-Y615 AromaticContact CD1-CE1 3.71Å; F367-Y615 HydrophobicContact CD1-CE1 3.71Å; F367-Y615 AromaticContact CD1-CG 3.81Å; F367-Y615 HydrophobicContact CD1-CG 3.81Å; F367-Y615 AromaticContact CE1-CD1 3.74Å; F367-Y615 HydrophobicContact CE1-CD1 3.74Å; F367-Y615 AromaticContact CE1-CG 3.89Å; F367-Y615 HydrophobicContact CE1-CG 3.89Å; F367-Y615 HydrophobicContact CG-CD1 4.07Å; F367-Y615 HydrophobicContact CG-CE1 4.11Å; F367-Y615 HydrophobicContact CG-CG 4.46Å; F367-Y615 WeakPolarHBondContact O-CE1 3.16Å; F367-Y615 PolarHBondContact O-OH 3.24Å
368	A	82.9	Confident	87	Confident	76 Å²	76	46.1 Å²	46.1	63%	0.628	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-39	178.7	0	0	0	0	0	111.7	D366	D366-A368 VanDerWaalsContact C-N 3.35Å; D366-A368 WeakPolarHBondContact OD1-CA 3.28Å; D366-A368 WeakPolarHBondContact OD1-CB 3.37Å; D366-A368 PolarHBondContact OD1-N 3.44Å
369	V	82.3	Confident	86.8	Confident	99 Å²	99	47.6 Å²	47.6	60%	0.6	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-6.2	-178.6	-163.4	0	0	0	0	112.6	D366 K371	D366-V369 PolarHBondContact OD1-N 3.03Å; V369-K371 HydrophobicContact CB-CB 4.39Å; V369-K371 HydrophobicContact CG1-CB 4.31Å; V369-K371 PolarHBondContact O-N 3.46Å
370	T	78.8	Confident	86.6	Confident	92 Å²	92	49.6 Å²	49.6	56%	0.564	26%	0.259	S	S	*	.			trans	51.5	13.9	-171.2	60	0	0	0	0	115.5	D366 D372	D366-T370 WeakPolarHBondContact O-CA 3.34Å; D366-T370 PolarHBondContact O-N 3Å; T370-D372 PolarHBondContact O-N 2.85Å
371	K	82.4	Confident	85.9	Confident	106 Å²	106	49 Å²	49	46%	0.461	26%	0.26	S	S	.	.			trans	-75	118.7	-178.8	-171	176.2	-179.7	173.8	0	110.8	V365 D366 V369 V373 S436	V365-K371 WeakPolarHBondContact CA-O 3.48Å; D366-K371 PolarHBondContact N-O 2.87Å; V369-K371 HydrophobicContact CB-CB 4.39Å; V369-K371 HydrophobicContact CG1-CB 4.31Å; V369-K371 PolarHBondContact O-N 3.46Å; K371-V373 HydrophobicContact CD-CG2 4.21Å; K371-V373 HydrophobicContact CG-CG2 3.91Å; K371-S436 PolarHBondContact NZ-OG 2.93Å
372	D	85.7	Confident	85.2	Confident	51 Å²	51	49.3 Å²	49.3	27%	0.273	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.7	174.3	171	37.1	0	0	0	111.1	Y356 R363 V365 T370	Y356-D372 PolarHBondContact OH-OD1 2.96Å; Y356-D372 PolarHBondContact OH-OD2 3.05Å; R363-D372 IonicContact CZ-OD1 3.83Å; R363-D372 IonicContact CZ-OD2 2.71Å; R363-D372 VanDerWaalsContact NE-CG 3.3Å; R363-D372 IonicContact NE-OD1 2.73Å; R363-D372 PolarHBondContact NE-OD1 3.38Å; R363-D372 IonicContact NE-OD2 3.3Å; R363-D372 PolarHBondContact NE-OD2 3.46Å; R363-D372 VanDerWaalsContact NH2-CG 3.29Å; R363-D372 IonicContact NH2-OD1 3.95Å; R363-D372 IonicContact NH2-OD2 3.51Å; R363-D372 PolarHBondContact NH2-OD2 3.13Å; V365-D372 HydrophobicContact CG2-CB 4.05Å; T370-D372 PolarHBondContact O-N 2.85Å
373	V	88.4	Confident	84.5	Confident	21 Å²	21	49.7 Å²	49.7	13%	0.127	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133	-174.1	-170.6	0	0	0	0	110.4	R363 R364 K371	R363-V373 CarbonylContact C-O 3.58Å; R363-V373 WeakPolarHBondContact CA-O 3.38Å; R364-V373 PolarHBondContact N-O 2.82Å; R364-V373 PolarHBondContact O-N 3.4Å; K371-V373 HydrophobicContact CD-CG2 4.21Å; K371-V373 HydrophobicContact CG-CG2 3.91Å
374	P	88.7	Confident	84	Confident	36 Å²	36	50.2 Å²	50.2	23%	0.234	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.9	169.3	29.7	-33.6	0	0	0	110.9	H361 P440	H361-P374 HydrophobicContact CB-CB 4.46Å; P374-P440 HydrophobicContact CB-CB 4.14Å; P374-P440 HydrophobicContact CB-CG 4.06Å; P374-P440 HydrophobicContact CG-CG 4.47Å
375	V	88	Confident	83.8	Confident	8 Å²	8	47.7 Å²	47.7	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-54.9	-174.9	-175.6	0	0	0	0	110.8	F355 L362 R364 L429 M433	F355-V375 HydrophobicContact CD1-CG2 4.31Å; F355-V375 HydrophobicContact CE1-CG2 4.35Å; L362-V375 HydrophobicContact CB-CB 4.38Å; L362-V375 HydrophobicContact CD2-CB 4.21Å; L362-V375 HydrophobicContact CD2-CG1 4.18Å; L362-V375 HydrophobicContact CG-CB 4.21Å; L362-V375 HydrophobicContact CG-CG2 4.39Å; L362-V375 PolarHBondContact O-N 3.48Å; R364-V375 HydrophobicContact CB-CG2 3.6Å; V375-L429 HydrophobicContact CG1-CD1 4.15Å; V375-L429 HydrophobicContact CG1-CD2 4.17Å; V375-M433 HydrophobicContact CB-CE 4.02Å; V375-M433 HydrophobicContact CG1-CE 3.8Å; V375-M433 HydrophobicContact CG2-CE 4.04Å
376	I	90.4	Very high	83.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.5	178.2	55.1	166.3	0	0	0	109	H361 L362 L378 Y427 L429 V443	H361-I376 WeakPolarHBondContact CA-O 3.41Å; L362-I376 HydrophobicContact CB-CG1 3.78Å; L362-I376 HydrophobicContact CD2-CD1 4.26Å; L362-I376 HydrophobicContact CD2-CG1 4Å; L362-I376 PolarHBondContact N-O 3.38Å; L362-I376 VanDerWaalsContact N-O 3.08Å; I376-L378 HydrophobicContact CD1-CD2 3.9Å; I376-L378 HydrophobicContact CG1-CD2 4.31Å; I376-Y427 HydrophobicContact CD1-CD1 3.57Å; I376-Y427 HydrophobicContact CD1-CD2 4.44Å; I376-Y427 HydrophobicContact CD1-CE1 4.17Å; I376-Y427 HydrophobicContact CD1-CG 3.72Å; I376-L429 HydrophobicContact CD1-CD2 3.72Å; I376-L429 HydrophobicContact CG1-CD2 4.15Å; I376-L429 HydrophobicContact CG2-CD2 4.21Å; I376-V443 HydrophobicContact CB-CG2 4.38Å; I376-V443 HydrophobicContact CG2-CB 4.27Å; I376-V443 HydrophobicContact CG2-CG2 3.57Å
377	Q	88.9	Confident	83.8	Confident	51 Å²	51	49 Å²	49	24%	0.238	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.3	159.4	-171.2	160	-16.4	0	0	109.3	P360 E380 E441	P360-Q377 HydrophobicContact CB-CG 4.25Å; Q377-E380 PolarHBondContact NE2-OE1 2.89Å; Q377-E441 PolarHBondContact N-O 3.43Å; Q377-E441 VanDerWaalsContact N-O 3.14Å
378	L	88.5	Confident	84.1	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.037	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-90.9	149.5	175.3	-62.1	170.3	0	0	0	109.7	V357 P360 L362 I376 E380 V399 Y427	V357-L378 HydrophobicContact CB-CD1 4.37Å; V357-L378 HydrophobicContact CG1-CD1 3.66Å; V357-L378 HydrophobicContact CG2-CD1 3.82Å; P360-L378 VanDerWaalsContact O-CB 3.32Å; P360-L378 WeakPolarHBondContact O-CB 3.46Å; P360-L378 PolarHBondContact O-N 3.13Å; L362-L378 HydrophobicContact CB-CD1 4.33Å; L362-L378 HydrophobicContact CB-CD2 4.16Å; L362-L378 HydrophobicContact CB-CG 4.23Å; I376-L378 HydrophobicContact CD1-CD2 3.9Å; I376-L378 HydrophobicContact CG1-CD2 4.31Å; L378-E380 PolarHBondContact O-N 3.21Å; L378-V399 HydrophobicContact CD2-CG2 4.16Å; L378-Y427 HydrophobicContact CD2-CD2 4.06Å; L378-Y427 HydrophobicContact CD2-CE1 4.03Å; L378-Y427 HydrophobicContact CD2-CE2 3.51Å; L378-Y427 VanDerWaalsContact CD2-CZ 3.5Å
379	R	84.2	Confident	84.6	Confident	115 Å²	115	46.6 Å²	46.6	43%	0.434	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-56.7	126.9	177.2	-172.1	174.8	-174.1	156.3	6.1	111.5	R382 Y427 S445	R379-R382 HydrophobicContact CB-CG 4.36Å; R379-R382 HydrophobicContact CG-CG 4.45Å; R379-R382 WeakPolarHBondContact O-CG 3.26Å; R379-Y427 WeakPolarHBondContact CB-OH 3.45Å; R379-Y427 PolarHBondContact N-OH 2.6Å; R379-S445 WeakPolarHBondContact CD-OG 3.42Å
380	E	76.8	Confident	85.1	Confident	132 Å²	132	43.9 Å²	43.9	62%	0.617	23%	0.232	S	C	*	.	S	Bend	trans	-72.9	175.9	-178.5	-56.8	-166.1	174	0	0	113	Q377 L378 R382	Q377-E380 PolarHBondContact NE2-OE1 2.89Å; L378-E380 PolarHBondContact O-N 3.21Å; E380-R382 PolarHBondContact O-N 3.24Å
381	G	71.4	Confident	85.8	Confident	33 Å²	33	39.9 Å²	39.9	34%	0.34	21%	0.208	S	C	.	.	S	Bend	trans	73.3	-37.7	-174.6	0	0	0	0	0	115.1	G383 E407	G381-G383 PolarHBondContact O-N 2.82Å; G381-E407 VanDerWaalsContact CA-OE1 3.23Å; G381-E407 WeakPolarHBondContact CA-OE1 3.13Å; G381-E407 VanDerWaalsContact O-OE1 3.05Å
382	R	74.6	Confident	86.1	Confident	52 Å²	52	37.2 Å²	37.2	20%	0.196	20%	0.201	C	C	.	.	S	Bend	trans	-47.6	-14.7	-175.7	-65.6	-56	-152.7	-142.2	-0.6	117.5	R379 E380 S401 R402 D425 S447	R379-R382 HydrophobicContact CB-CG 4.36Å; R379-R382 HydrophobicContact CG-CG 4.45Å; R379-R382 WeakPolarHBondContact O-CG 3.26Å; E380-R382 PolarHBondContact O-N 3.24Å; R382-S401 WeakPolarHBondContact O-CB 3.48Å; R382-R402 CarbonylContact O-C 3.52Å; R382-D425 WeakPolarHBondContact CD-OD2 3.45Å; R382-D425 WeakPolarHBondContact CG-OD2 3.5Å; R382-D425 IonicContact CZ-OD1 2.62Å; R382-D425 IonicContact CZ-OD2 3.22Å; R382-D425 IonicContact NE-OD1 3.92Å; R382-D425 PolarHBondContact NE-OD1 3.49Å; R382-D425 IonicContact NE-OD2 3.92Å; R382-D425 PolarHBondContact NE-OD2 2.69Å; R382-D425 IonicContact NH2-OD1 2.76Å; R382-D425 PolarHBondContact NH2-OD1 3.04Å; R382-D425 IonicContact NH2-OD2 2.73Å; R382-S447 PolarHBondContact NH2-OG 2.57Å
383	G	76.6	Confident	86.2	Confident	8 Å²	8	39.8 Å²	39.8	8%	0.082	21%	0.214	C	C	.	.			trans	83.7	-137.7	173.5	0	0	0	0	0	111.9	L359 G381 R402	L359-G383 WeakPolarHBondContact CD1-O 3.4Å; G381-G383 PolarHBondContact O-N 2.82Å; G383-R402 WeakPolarHBondContact CA-O 3.21Å
384	Q	80.8	Confident	86.2	Confident	61 Å²	61	41.1 Å²	41.1	29%	0.285	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.7	-174	-178.1	172.5	71.3	0	0	111.8	R342 V386 S401 R402	R342-Q384 VanDerWaalsContact CB-OE1 3.26Å; R342-Q384 PolarHBondContact O-NE2 2.69Å; R342-Q384 PolarHBondContact O-OE1 2.88Å; Q384-V386 WeakPolarHBondContact O-CG2 3.42Å; Q384-V386 PolarHBondContact O-N 3.43Å; Q384-S401 WeakPolarHBondContact O-CA 3.21Å; Q384-R402 PolarHBondContact N-O 3.26Å; Q384-R402 PolarHBondContact O-N 3.27Å
385	A	87.8	Confident	86.2	Confident	6 Å²	6	41 Å²	41	5%	0.05	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.2	169.3	0	0	0	0	0	111.6	A346 V357 V399	A346-A385 HydrophobicContact CB-CB 3.81Å; V357-A385 HydrophobicContact CB-CB 3.97Å; V357-A385 HydrophobicContact CG1-CB 3.91Å; V357-A385 HydrophobicContact CG2-CB 4.02Å; A385-V399 HydrophobicContact CB-CG1 4.06Å
386	V	87.6	Confident	86.4	Confident	24 Å²	24	40.7 Å²	40.7	15%	0.145	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-38.2	-172.6	179.6	0	0	0	0	111.6	R342 Q384 L400 R402 M422	R342-V386 PolarHBondContact NH1-O 2.97Å; R342-V386 PolarHBondContact NH2-O 3.08Å; Q384-V386 WeakPolarHBondContact O-CG2 3.42Å; Q384-V386 PolarHBondContact O-N 3.43Å; V386-L400 PolarHBondContact N-O 3.1Å; V386-R402 HydrophobicContact CG2-CB 3.93Å; V386-M422 HydrophobicContact CB-CE 3.83Å; V386-M422 HydrophobicContact CG1-CE 4.02Å; V386-M422 HydrophobicContact CG2-CE 3.62Å
387	S	89.8	Confident	86.6	Confident	43 Å²	43	40.7 Å²	40.7	30%	0.301	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	155.1	172.2	53.4	0	0	0	0	110.7	L400	S387-L400 PolarHBondContact N-O 3.46Å; S387-L400 PolarHBondContact O-N 2.77Å; S387-L400 WeakPolarHBondContact OG-CB 3.48Å; S387-L400 WeakPolarHBondContact OG-CD2 3.26Å
388	V	92.2	Very high	86.8	Confident	15 Å²	15	38.3 Å²	38.3	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.6	-179.5	174.8	0	0	0	0	107.7	A346 T348 V357 M397 L398 V399	A346-V388 HydrophobicContact CB-CG2 3.75Å; T348-V388 HydrophobicContact CG2-CB 4.46Å; T348-V388 HydrophobicContact CG2-CG1 3.78Å; V357-V388 HydrophobicContact CG2-CG2 3.76Å; V388-M397 HydrophobicContact CG1-CE 4.26Å; V388-M397 HydrophobicContact CG1-CG 3.98Å; V388-M397 HydrophobicContact CG1-SD 3.27Å; V388-M397 WeakPolarHBondContact CG1-SD 3.19Å; V388-L398 CarbonylContact C-O 3.3Å; V388-L398 VanDerWaalsContact CA-O 3.32Å; V388-L398 WeakPolarHBondContact CA-O 3.41Å; V388-V399 HydrophobicContact CG2-CG1 4.49Å
389	G	92.8	Very high	87.1	Confident	19 Å²	19	38.1 Å²	38.1	20%	0.196	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	116.6	178.6	0	0	0	0	0	111.5	L398 W455	G389-L398 PolarHBondContact N-O 3.19Å; G389-L398 PolarHBondContact O-N 2.79Å; G389-W455 PolarHBondContact O-NE1 2.8Å
390	Y	93.3	Very high	87.4	Confident	41 Å²	41	32.8 Å²	32.8	16%	0.161	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.1	179.9	-178.9	-125.3	0	0	0	111.6	Y350 F355 P392 N395 A396 M397 L429	Y350-Y390 HydrophobicContact CD1-CD1 4.1Å; Y350-Y390 AromaticContact CD1-CE1 3.66Å; Y350-Y390 HydrophobicContact CD1-CE1 3.66Å; Y350-Y390 HydrophobicContact CE1-CE1 4.27Å; Y350-Y390 AromaticContact CG-CD1 3.98Å; Y350-Y390 HydrophobicContact CG-CD1 3.98Å; Y350-Y390 HydrophobicContact CG-CE1 4.03Å; F355-Y390 HydrophobicContact CD2-CD1 4.31Å; F355-Y390 HydrophobicContact CD2-CG 4.31Å; F355-Y390 AromaticContact CE2-CD1 3.86Å; F355-Y390 HydrophobicContact CE2-CD1 3.86Å; F355-Y390 HydrophobicContact CE2-CD2 4.36Å; F355-Y390 AromaticContact CE2-CE1 3.83Å; F355-Y390 HydrophobicContact CE2-CE1 3.83Å; F355-Y390 HydrophobicContact CE2-CE2 4.36Å; F355-Y390 HydrophobicContact CE2-CG 4.12Å; F355-Y390 HydrophobicContact CZ-CD2 4.49Å; F355-Y390 HydrophobicContact CZ-CE1 4.26Å; F355-Y390 HydrophobicContact CZ-CE2 4.18Å; Y390-P392 HydrophobicContact CD1-CB 4.31Å; Y390-P392 HydrophobicContact CE1-CB 3.69Å; Y390-N395 PolarHBondContact OH-OD1 3.45Å; Y390-N395 VanDerWaalsContact OH-OD1 3.1Å; Y390-A396 WeakPolarHBondContact CD2-O 3.48Å; Y390-M397 HydrophobicContact CD2-CE 3.6Å; Y390-M397 HydrophobicContact CD2-SD 4.24Å; Y390-M397 HydrophobicContact CG-CE 3.98Å; Y390-M397 HydrophobicContact CG-SD 4.48Å; Y390-L429 HydrophobicContact CD2-CD1 4.43Å; Y390-L429 HydrophobicContact CE2-CD1 4.11Å
391	N	92.5	Very high	88	Confident	9 Å²	9	26.8 Å²	26.8	5%	0.048	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	107.7	171	172.1	-1.1	0	0	0	108.7	I393 N395 A396 W455 R458	N391-I393 VanDerWaalsContact C-N 3.31Å; N391-I393 PolarHBondContact O-N 3.36Å; N391-I393 PolarHBondContact OD1-N 3.26Å; N391-I393 VanDerWaalsContact OD1-N 3.15Å; N391-N395 WeakPolarHBondContact O-CA 3.48Å; N391-N395 PolarHBondContact O-N 3.18Å; N391-N395 VanDerWaalsContact O-N 3.13Å; N391-A396 HydrophobicContact CB-CB 4.3Å; N391-A396 PolarHBondContact N-O 2.75Å; N391-A396 PolarHBondContact O-N 3.26Å; N391-W455 HydrophobicContact CB-CD2 3.73Å; N391-W455 VanDerWaalsContact CB-CE2 3.41Å; N391-W455 HydrophobicContact CB-CE3 4.17Å; N391-W455 HydrophobicContact CB-CG 4.2Å; N391-W455 HydrophobicContact CB-CH2 4.09Å; N391-W455 HydrophobicContact CB-CZ2 3.61Å; N391-W455 HydrophobicContact CB-CZ3 4.34Å; N391-W455 WeakPolarHBondContact ND2-CZ3 3.35Å; N391-R458 PolarHBondContact ND2-O 2.93Å
392	P	88.7	Confident	88.5	Confident	49 Å²	49	28.5 Å²	28.5	32%	0.318	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.4	-172.6	32.1	-37.7	0	0	0	114.2	Y350 Y390	Y350-P392 HydrophobicContact CD1-CB 4.06Å; Y350-P392 HydrophobicContact CD2-CB 4.29Å; Y350-P392 HydrophobicContact CD2-CG 4.13Å; Y350-P392 HydrophobicContact CE1-CB 3.51Å; Y350-P392 HydrophobicContact CE1-CG 4.28Å; Y350-P392 HydrophobicContact CE2-CB 3.81Å; Y350-P392 HydrophobicContact CE2-CG 3.62Å; Y350-P392 HydrophobicContact CG-CB 4.39Å; Y390-P392 HydrophobicContact CD1-CB 4.31Å; Y390-P392 HydrophobicContact CE1-CB 3.69Å
393	I	87.6	Confident	88.3	Confident	105 Å²	105	27.6 Å²	27.6	54%	0.538	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-41	-175.3	-51.8	171	0	0	0	110.2	N391 R458	N391-I393 VanDerWaalsContact C-N 3.31Å; N391-I393 PolarHBondContact O-N 3.36Å; N391-I393 PolarHBondContact OD1-N 3.26Å; N391-I393 VanDerWaalsContact OD1-N 3.15Å; I393-R458 HydrophobicContact CB-CG 4.01Å; I393-R458 HydrophobicContact CD1-CB 4.19Å; I393-R458 HydrophobicContact CD1-CG 3.86Å; I393-R458 HydrophobicContact CG2-CG 3.7Å
394	E	88.6	Confident	87.6	Confident	49 Å²	49	33.6 Å²	33.6	23%	0.229	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	9.8	-179.7	-57.6	-61.5	141.1	0	0	112.3	A396 M428 R458 N459 L475	E394-A396 HydrophobicContact CB-CB 4.44Å; E394-A396 PolarHBondContact O-N 2.96Å; E394-M428 HydrophobicContact CB-CE 4.35Å; E394-M428 VanDerWaalsContact O-CE 3.22Å; E394-M428 WeakPolarHBondContact O-CE 3.21Å; E394-R458 HydrophobicContact CG-CG 4.32Å; E394-R458 IonicContact OE1-CZ 2.63Å; E394-R458 IonicContact OE1-NE 3.5Å; E394-R458 PolarHBondContact OE1-NE 3.32Å; E394-R458 IonicContact OE1-NH2 2.79Å; E394-R458 PolarHBondContact OE1-NH2 3.42Å; E394-N459 PolarHBondContact OE1-OD1 3.38Å; E394-L475 HydrophobicContact CB-CD1 4.28Å; E394-L475 HydrophobicContact CG-CD1 3.96Å
395	N	90	Very high	86.3	Confident	35 Å²	35	35.1 Å²	35.1	19%	0.187	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	41.1	-175.9	-161.8	31.5	0	0	0	113.2	Y390 N391 L429 P430	Y390-N395 PolarHBondContact OH-OD1 3.45Å; Y390-N395 VanDerWaalsContact OH-OD1 3.1Å; N391-N395 WeakPolarHBondContact O-CA 3.48Å; N391-N395 PolarHBondContact O-N 3.18Å; N391-N395 VanDerWaalsContact O-N 3.13Å; N395-L429 PolarHBondContact ND2-O 3.46Å; N395-L429 WeakPolarHBondContact O-CB 3.32Å; N395-L429 WeakPolarHBondContact O-CG 3.26Å; N395-L429 PolarHBondContact O-N 3.33Å; N395-P430 PolarHBondContact ND2-O 3.19Å
396	A	92.3	Very high	84.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.9	-169.3	0	0	0	0	0	112.1	Y390 N391 E394 L426 Y427 M428 W455	Y390-A396 WeakPolarHBondContact CD2-O 3.48Å; N391-A396 HydrophobicContact CB-CB 4.3Å; N391-A396 PolarHBondContact N-O 2.75Å; N391-A396 PolarHBondContact O-N 3.26Å; E394-A396 HydrophobicContact CB-CB 4.44Å; E394-A396 PolarHBondContact O-N 2.96Å; A396-L426 HydrophobicContact CB-CD1 4.17Å; A396-Y427 WeakPolarHBondContact CA-O 3.31Å; A396-M428 HydrophobicContact CB-CE 4Å; A396-M428 HydrophobicContact CB-SD 3.81Å; A396-W455 HydrophobicContact CB-CH2 3.78Å; A396-W455 HydrophobicContact CB-CZ2 3.75Å
397	M	93.2	Very high	81.8	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.6	-178.3	-165.8	66.3	79.2	0	0	111.3	T348 F355 L362 V388 Y390 V399 Y427 L429	T348-M397 HydrophobicContact CG2-CE 4.46Å; T348-M397 HydrophobicContact CG2-SD 4.3Å; F355-M397 HydrophobicContact CB-CE 3.63Å; F355-M397 HydrophobicContact CD1-CE 3.61Å; F355-M397 HydrophobicContact CD2-CE 4.11Å; F355-M397 HydrophobicContact CE1-CE 4.23Å; F355-M397 HydrophobicContact CG-CE 3.53Å; L362-M397 HydrophobicContact CD1-CE 4.42Å; L362-M397 HydrophobicContact CD2-CB 4.42Å; L362-M397 HydrophobicContact CD2-CE 4.02Å; L362-M397 HydrophobicContact CD2-CG 3.99Å; V388-M397 HydrophobicContact CG1-CE 4.26Å; V388-M397 HydrophobicContact CG1-CG 3.98Å; V388-M397 HydrophobicContact CG1-SD 3.27Å; V388-M397 WeakPolarHBondContact CG1-SD 3.19Å; Y390-M397 HydrophobicContact CD2-CE 3.6Å; Y390-M397 HydrophobicContact CD2-SD 4.24Å; Y390-M397 HydrophobicContact CG-CE 3.98Å; Y390-M397 HydrophobicContact CG-SD 4.48Å; M397-V399 HydrophobicContact CG-CG2 4.12Å; M397-Y427 PolarHBondContact N-O 3.16Å; M397-Y427 PolarHBondContact O-N 2.88Å; M397-L429 HydrophobicContact CB-CD1 4.26Å; M397-L429 HydrophobicContact CB-CD2 4.16Å; M397-L429 HydrophobicContact CB-CG 4.25Å; M397-L429 HydrophobicContact CE-CD1 4.19Å
398	L	94.4	Very high	79.2	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.3	167.3	-70.9	166.2	0	0	0	109	V388 G389 Y424 L426 V453 W455 F461	V388-L398 CarbonylContact C-O 3.3Å; V388-L398 VanDerWaalsContact CA-O 3.32Å; V388-L398 WeakPolarHBondContact CA-O 3.41Å; G389-L398 PolarHBondContact N-O 3.19Å; G389-L398 PolarHBondContact O-N 2.79Å; L398-Y424 HydrophobicContact CD2-CD2 4.42Å; L398-L426 HydrophobicContact CD2-CB 3.86Å; L398-L426 HydrophobicContact CD2-CD1 3.85Å; L398-L426 HydrophobicContact CD2-CG 4.38Å; L398-L426 HydrophobicContact CG-CD1 4.21Å; L398-V453 HydrophobicContact CB-CG1 4.12Å; L398-V453 HydrophobicContact CD1-CG2 4.03Å; L398-V453 HydrophobicContact CD2-CG2 4.17Å; L398-W455 HydrophobicContact CD1-CD2 3.74Å; L398-W455 VanDerWaalsContact CD1-CE2 3.41Å; L398-W455 HydrophobicContact CD1-CE3 4.34Å; L398-W455 HydrophobicContact CD1-CG 4.1Å; L398-W455 HydrophobicContact CD1-CH2 4.36Å; L398-W455 HydrophobicContact CD1-CZ2 3.77Å; L398-W455 HydrophobicContact CG-CH2 4.36Å; L398-W455 HydrophobicContact CG-CZ2 3.65Å; L398-F461 HydrophobicContact CD1-CB 3.7Å; L398-F461 HydrophobicContact CD1-CD2 4.2Å; L398-F461 HydrophobicContact CD1-CG 3.92Å; L398-F461 HydrophobicContact CD2-CD1 4.48Å; L398-F461 HydrophobicContact CD2-CD2 4.19Å; L398-F461 HydrophobicContact CD2-CE2 4.21Å; L398-F461 HydrophobicContact CD2-CG 4.32Å; L398-F461 HydrophobicContact CD2-CZ 4.38Å
399	V	93.2	Very high	76.2	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.2	172.7	-175.6	0	0	0	0	108.2	V357 L378 A385 V388 M397 Y424 D425 Y427	V357-V399 HydrophobicContact CG2-CG1 4.43Å; L378-V399 HydrophobicContact CD2-CG2 4.16Å; A385-V399 HydrophobicContact CB-CG1 4.06Å; V388-V399 HydrophobicContact CG2-CG1 4.49Å; M397-V399 HydrophobicContact CG-CG2 4.12Å; V399-Y424 CarbonylContact O-C 3.53Å; V399-Y424 WeakPolarHBondContact O-CA 3.3Å; V399-D425 PolarHBondContact N-O 3.43Å; V399-D425 PolarHBondContact O-N 3.39Å; V399-Y427 HydrophobicContact CB-CE2 4.25Å; V399-Y427 HydrophobicContact CG2-CD2 4.12Å; V399-Y427 HydrophobicContact CG2-CE2 4.03Å
400	L	92.3	Very high	73.5	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.3	175.3	179.5	71.2	0	0	0	109.2	V386 S387 M422 G450 V453	V386-L400 PolarHBondContact N-O 3.1Å; S387-L400 PolarHBondContact N-O 3.46Å; S387-L400 PolarHBondContact O-N 2.77Å; S387-L400 WeakPolarHBondContact OG-CB 3.48Å; S387-L400 WeakPolarHBondContact OG-CD2 3.26Å; L400-M422 HydrophobicContact CD1-CB 4.49Å; L400-M422 HydrophobicContact CD1-CE 4.05Å; L400-M422 HydrophobicContact CD2-CE 3.73Å; L400-M422 HydrophobicContact CG-CE 3.58Å; L400-G450 WeakPolarHBondContact CD1-O 3.42Å; L400-V453 HydrophobicContact CB-CG1 3.98Å
401	S	88.3	Confident	70.4	Confident	7 Å²	7	58.5 Å²	58.5	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.3	-173.8	-62.6	0	0	0	0	112.4	R382 Q384 V423	R382-S401 WeakPolarHBondContact O-CB 3.48Å; Q384-S401 WeakPolarHBondContact O-CA 3.21Å; S401-V423 PolarHBondContact N-O 2.9Å; S401-V423 PolarHBondContact O-N 3.29Å; S401-V423 VanDerWaalsContact O-N 3.08Å
402	R	82.6	Confident	67.4	Low	69 Å²	69	62.1 Å²	62.1	26%	0.26	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.6	168.6	-178.9	175.5	-70.7	93.5	4	108.9	R382 G383 Q384 V386 M422	R382-R402 CarbonylContact O-C 3.52Å; G383-R402 WeakPolarHBondContact CA-O 3.21Å; Q384-R402 PolarHBondContact N-O 3.26Å; Q384-R402 PolarHBondContact O-N 3.27Å; V386-R402 HydrophobicContact CG2-CB 3.93Å; R402-M422 HydrophobicContact CB-CE 4.4Å; R402-M422 HydrophobicContact CB-CG 4.4Å; R402-M422 PolarHBondContact NH2-SD 2.89Å
403	P	70.5	Confident	64.6	Low	33 Å²	33	67.8 Å²	67.8	21%	0.214	38%	0.379	C	S	.	.			trans	-53.9	153.1	176.8	-27.4	35.2	0	0	0	113.3	V423	P403-V423 HydrophobicContact CG-CG2 4.19Å
404	R	60.9	Low	61.6	Low	134 Å²	134	68.5 Å²	68.5	51%	0.506	38%	0.382	S	S	.	.			trans	-78.5	129.4	165.2	-74.7	177.3	172.8	138.3	-6	108.3	S406 E407	R404-S406 PolarHBondContact O-N 3.26Å; R404-E407 PolarHBondContact O-N 3.44Å; R404-E407 VanDerWaalsContact O-N 3.07Å
405	Q	53.4	Low	58.7	Low	92 Å²	92	69.5 Å²	69.5	43%	0.43	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-53.3	-21.6	-178.2	-84.8	171.7	-58	0	0	114.7	M1 E407 L408	M1-Q405 PolarHBondContact O-OE1 3.21Å; M1-Q405 VanDerWaalsContact O-OE1 3.08Å; Q405-E407 PolarHBondContact O-N 2.92Å; Q405-E407 VanDerWaalsContact O-N 3.12Å; Q405-L408 PolarHBondContact O-N 3.32Å; Q405-L408 VanDerWaalsContact O-N 3.08Å
406	S	44.7	Very low	56.1	Low	56 Å²	56	72.2 Å²	72.2	39%	0.392	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-60.9	-13.1	174.8	51.1	0	0	0	0	115.1	R404	R404-S406 PolarHBondContact O-N 3.26Å
407	E	37.4	Very low	53.3	Low	110 Å²	110	78.4 Å²	78.4	51%	0.514	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-97.2	-0.9	177	-68.1	172	-159.6	0	0	112.9	G381 R404 Q405	G381-E407 VanDerWaalsContact CA-OE1 3.23Å; G381-E407 WeakPolarHBondContact CA-OE1 3.13Å; G381-E407 VanDerWaalsContact O-OE1 3.05Å; R404-E407 PolarHBondContact O-N 3.44Å; R404-E407 VanDerWaalsContact O-N 3.07Å; Q405-E407 PolarHBondContact O-N 2.92Å; Q405-E407 VanDerWaalsContact O-N 3.12Å
408	L	34.6	Very low	50.4	Low	120 Å²	120	81.9 Å²	81.9	63%	0.628	47%	0.47	S	S	*	.			trans	-113.7	71.6	177	-73.2	168	0	0	0	110.4	Q405	Q405-L408 PolarHBondContact O-N 3.32Å; Q405-L408 VanDerWaalsContact O-N 3.08Å
409	N	29.6	Very low	47.9	Very low	144 Å²	144	85 Å²	85	77%	0.77	50%	0.502	S	S	*	.			trans	-69.2	158.6	172.9	-79	-25.3	0	0	0	112.2
410	A	34.7	Very low	46.1	Very low	112 Å²	112	88.8 Å²	88.8	93%	0.926	53%	0.525	S	S	*	.	S	Bend	trans	73.8	22.4	161.2	0	0	0	0	0	120.1
411	S	29.1	Very low	44.8	Very low	97 Å²	97	92.3 Å²	92.3	68%	0.678	55%	0.551	S	S	*	*			trans	-134.6	123.6	160.2	66.8	0	0	0	0	112.8
412	A	29.4	Very low	44.6	Very low	86 Å²	86	92.4 Å²	92.4	71%	0.711	55%	0.55	S	S	*	*			trans	-80.1	162.7	-177.3	0	0	0	0	0	113.6	M414	A412-M414 PolarHBondContact O-N 2.99Å
413	N	29.8	Very low	44.9	Very low	168 Å²	168	90.3 Å²	90.3	90%	0.898	55%	0.545	S	S	*	.			trans	58.8	39.5	160.3	-59.6	-11.8	0	0	0	117.8	S415	N413-S415 PolarHBondContact O-N 3.5Å
414	M	24.6	Very low	46	Very low	120 Å²	120	88.8 Å²	88.8	59%	0.591	54%	0.535	S	S	*	.			trans	-74	115.5	163.1	-86.4	-101.1	59.3	0	0	111.6	A412 S418	A412-M414 PolarHBondContact O-N 2.99Å; M414-S418 WeakPolarHBondContact CE-O 3.39Å
415	S	28.1	Very low	47.5	Very low	69 Å²	69	82.4 Å²	82.4	48%	0.483	51%	0.511	S	S	.	.			trans	-64.1	141	169.3	178.3	0	0	0	0	111.4	N413 T417 S418	N413-S415 PolarHBondContact O-N 3.5Å; S415-T417 PolarHBondContact O-N 3.12Å; S415-T417 PolarHBondContact OG-OG1 3.09Å; S415-T417 VanDerWaalsContact OG-OG1 3.08Å; S415-S418 PolarHBondContact O-N 3Å
416	I	35.8	Very low	49.4	Very low	93 Å²	93	78.1 Å²	78.1	48%	0.477	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.9	-176.7	-61.3	162.6	0	0	0	112.3	Y3 I308	Y3-I416 HydrophobicContact CD1-CD1 4.08Å; Y3-I416 HydrophobicContact CG-CD1 4.36Å; I308-I416 HydrophobicContact CB-CD1 4.35Å; I308-I416 HydrophobicContact CG1-CD1 4.21Å; I308-I416 HydrophobicContact CG2-CD1 4.05Å
417	T	32.9	Very low	51.7	Low	130 Å²	130	75.6 Å²	75.6	80%	0.798	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.8	-178	53.1	0	0	0	0	115.6	S415	S415-T417 PolarHBondContact O-N 3.12Å; S415-T417 PolarHBondContact OG-OG1 3.09Å; S415-T417 VanDerWaalsContact OG-OG1 3.08Å
418	S	31.8	Very low	54.2	Low	73 Å²	73	73.3 Å²	73.3	51%	0.51	46%	0.463	S	S	.	.	S	Bend	trans	-145	141.7	-176.7	52.6	0	0	0	0	113.3	M414 S415	M414-S418 WeakPolarHBondContact CE-O 3.39Å; S415-S418 PolarHBondContact O-N 3Å
419	G	42.2	Very low	56.7	Low	66 Å²	66	68.1 Å²	68.1	68%	0.68	44%	0.436	S	S	*	.			trans	92.5	41	167.3	0	0	0	0	0	117.9	S421	G419-S421 PolarHBondContact O-N 2.83Å
420	T	55.3	Low	59.1	Low	82 Å²	82	63 Å²	63	50%	0.503	41%	0.41	S	S	.	.			trans	-73.4	90	168.1	62.2	0	0	0	0	111.4	M422	T420-M422 PolarHBondContact O-N 3.25Å
421	S	66.3	Low	60.9	Low	78 Å²	78	67.1 Å²	67.1	55%	0.545	41%	0.407	S	S	.	.			trans	-56.7	128.1	164	-172.3	0	0	0	0	109.3	G419	G419-S421 PolarHBondContact O-N 2.83Å
422	M	83.6	Confident	62.6	Low	8 Å²	8	68.5 Å²	68.5	4%	0.039	41%	0.412	C	S	.	.			trans	-133.7	148.8	-176.7	-77.7	-168.3	61.7	0	0	109.4	V386 L400 R402 T420 S449 G450	V386-M422 HydrophobicContact CB-CE 3.83Å; V386-M422 HydrophobicContact CG1-CE 4.02Å; V386-M422 HydrophobicContact CG2-CE 3.62Å; L400-M422 HydrophobicContact CD1-CB 4.49Å; L400-M422 HydrophobicContact CD1-CE 4.05Å; L400-M422 HydrophobicContact CD2-CE 3.73Å; L400-M422 HydrophobicContact CG-CE 3.58Å; R402-M422 HydrophobicContact CB-CE 4.4Å; R402-M422 HydrophobicContact CB-CG 4.4Å; R402-M422 PolarHBondContact NH2-SD 2.89Å; T420-M422 PolarHBondContact O-N 3.25Å; M422-S449 CarbonylContact O-C 3.57Å; M422-S449 WeakPolarHBondContact O-CA 3.45Å; M422-G450 CarbonylContact C-O 3.54Å; M422-G450 WeakPolarHBondContact CB-O 3.28Å; M422-G450 PolarHBondContact O-N 2.96Å
423	V	89	Confident	63.9	Low	25 Å²	25	67.3 Å²	67.3	15%	0.152	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.6	-171.5	179.7	0	0	0	0	108.4	S401 P403 G448	S401-V423 PolarHBondContact N-O 2.9Å; S401-V423 PolarHBondContact O-N 3.29Å; S401-V423 VanDerWaalsContact O-N 3.08Å; P403-V423 HydrophobicContact CG-CG2 4.19Å; V423-G448 CarbonylContact C-O 3.57Å; V423-G448 WeakPolarHBondContact CA-O 3.35Å
424	Y	92.5	Very high	65	Low	1 Å²	1	61.7 Å²	61.7	0%	0.004	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.7	168	70.6	-89.1	0	0	0	110.4	L398 V399 S447 G448 V453 F461 V463 K473 N477	L398-Y424 HydrophobicContact CD2-CD2 4.42Å; V399-Y424 CarbonylContact O-C 3.53Å; V399-Y424 WeakPolarHBondContact O-CA 3.3Å; Y424-S447 WeakPolarHBondContact O-CA 3.38Å; Y424-S447 WeakPolarHBondContact O-CB 3.42Å; Y424-G448 WeakPolarHBondContact CD1-O 3.26Å; Y424-G448 WeakPolarHBondContact CE1-O 3.42Å; Y424-G448 PolarHBondContact N-O 3.43Å; Y424-G448 PolarHBondContact O-N 2.73Å; Y424-V453 HydrophobicContact CD2-CG2 4.39Å; Y424-V453 HydrophobicContact CG-CG2 4.19Å; Y424-F461 HydrophobicContact CD2-CE2 4.26Å; Y424-F461 AromaticContact CE2-CE2 3.7Å; Y424-F461 HydrophobicContact CE2-CE2 3.7Å; Y424-F461 AromaticContact CE2-CZ 3.97Å; Y424-F461 HydrophobicContact CE2-CZ 3.97Å; Y424-V463 HydrophobicContact CD1-CG1 4.07Å; Y424-V463 HydrophobicContact CD1-CG2 4.25Å; Y424-V463 HydrophobicContact CE1-CB 4.31Å; Y424-V463 HydrophobicContact CE1-CG1 3.63Å; Y424-V463 HydrophobicContact CE1-CG2 3.61Å; Y424-V463 HydrophobicContact CE2-CG2 4.42Å; Y424-K473 VanDerWaalsContact OH-CD 3.32Å; Y424-K473 WeakPolarHBondContact OH-CD 3.48Å; Y424-K473 VanDerWaalsContact OH-CE 3.27Å; Y424-K473 WeakPolarHBondContact OH-CE 3.3Å; Y424-K473 PolarHBondContact OH-NZ 3.09Å; Y424-N477 WeakPolarHBondContact CE2-OD1 3.29Å; Y424-N477 PolarHBondContact OH-OD1 3.11Å
425	D	92.6	Very high	66.3	Low	1 Å²	1	60.7 Å²	60.7	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126	172.6	-74.5	-76.4	0	0	0	108.5	R382 V399 Y427 S445 S447	R382-D425 WeakPolarHBondContact CD-OD2 3.45Å; R382-D425 WeakPolarHBondContact CG-OD2 3.5Å; R382-D425 IonicContact CZ-OD1 2.62Å; R382-D425 IonicContact CZ-OD2 3.22Å; R382-D425 IonicContact NE-OD1 3.92Å; R382-D425 PolarHBondContact NE-OD1 3.49Å; R382-D425 IonicContact NE-OD2 3.92Å; R382-D425 PolarHBondContact NE-OD2 2.69Å; R382-D425 IonicContact NH2-OD1 2.76Å; R382-D425 PolarHBondContact NH2-OD1 3.04Å; R382-D425 IonicContact NH2-OD2 2.73Å; V399-D425 PolarHBondContact N-O 3.43Å; V399-D425 PolarHBondContact O-N 3.39Å; D425-Y427 HydrophobicContact CB-CD2 4.17Å; D425-Y427 HydrophobicContact CB-CE2 3.4Å; D425-Y427 VanDerWaalsContact CB-CE2 3.4Å; D425-S445 VanDerWaalsContact OD1-CB 3.29Å; D425-S445 WeakPolarHBondContact OD1-CB 3.48Å; D425-S445 PolarHBondContact OD1-OG 3.1Å; D425-S447 WeakPolarHBondContact OD1-CB 3.43Å
426	L	93.9	Very high	67.6	Low	2 Å²	2	60.2 Å²	60.2	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121	169.4	172	62.2	0	0	0	109.2	A396 L398 S445 R446 W455 F461 L475	A396-L426 HydrophobicContact CB-CD1 4.17Å; L398-L426 HydrophobicContact CD2-CB 3.86Å; L398-L426 HydrophobicContact CD2-CD1 3.85Å; L398-L426 HydrophobicContact CD2-CG 4.38Å; L398-L426 HydrophobicContact CG-CD1 4.21Å; L426-S445 WeakPolarHBondContact O-CA 3.42Å; L426-R446 HydrophobicContact CB-CB 4.33Å; L426-R446 WeakPolarHBondContact CB-O 3.46Å; L426-R446 PolarHBondContact N-O 3.19Å; L426-R446 PolarHBondContact O-N 2.96Å; L426-W455 HydrophobicContact CD1-CH2 3.74Å; L426-W455 HydrophobicContact CD1-CZ2 3.9Å; L426-F461 HydrophobicContact CD2-CE1 3.87Å; L426-F461 HydrophobicContact CD2-CZ 4.4Å; L426-L475 WeakPolarHBondContact CD2-O 3.33Å
427	Y	92.2	Very high	68.5	Low	3 Å²	3	63.2 Å²	63.2	1%	0.012	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.2	173.5	-59.9	-95.3	0	0	0	109.9	I376 L378 R379 A396 M397 V399 D425 V443	I376-Y427 HydrophobicContact CD1-CD1 3.57Å; I376-Y427 HydrophobicContact CD1-CD2 4.44Å; I376-Y427 HydrophobicContact CD1-CE1 4.17Å; I376-Y427 HydrophobicContact CD1-CG 3.72Å; L378-Y427 HydrophobicContact CD2-CD2 4.06Å; L378-Y427 HydrophobicContact CD2-CE1 4.03Å; L378-Y427 HydrophobicContact CD2-CE2 3.51Å; L378-Y427 VanDerWaalsContact CD2-CZ 3.5Å; R379-Y427 WeakPolarHBondContact CB-OH 3.45Å; R379-Y427 PolarHBondContact N-OH 2.6Å; A396-Y427 WeakPolarHBondContact CA-O 3.31Å; M397-Y427 PolarHBondContact N-O 3.16Å; M397-Y427 PolarHBondContact O-N 2.88Å; V399-Y427 HydrophobicContact CB-CE2 4.25Å; V399-Y427 HydrophobicContact CG2-CD2 4.12Å; V399-Y427 HydrophobicContact CG2-CE2 4.03Å; D425-Y427 HydrophobicContact CB-CD2 4.17Å; D425-Y427 HydrophobicContact CB-CE2 3.4Å; D425-Y427 VanDerWaalsContact CB-CE2 3.4Å; Y427-V443 HydrophobicContact CD1-CB 4.31Å; Y427-V443 HydrophobicContact CD1-CG1 4.24Å
428	M	90.4	Very high	69.7	Low	61 Å²	61	60.2 Å²	60.2	30%	0.3	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.4	167.3	-57.8	-57.4	-58.9	0	0	107.6	E394 A396 V443	E394-M428 HydrophobicContact CB-CE 4.35Å; E394-M428 VanDerWaalsContact O-CE 3.22Å; E394-M428 WeakPolarHBondContact O-CE 3.21Å; A396-M428 HydrophobicContact CB-CE 4Å; A396-M428 HydrophobicContact CB-SD 3.81Å; M428-V443 WeakPolarHBondContact O-CG1 3.27Å
429	L	88	Confident	71.2	Confident	12 Å²	12	65.3 Å²	65.3	6%	0.063	39%	0.393	C	S	.	.			trans	-78.8	145.1	-175	-53	-179.8	0	0	0	110.8	F355 L362 V375 I376 Y390 N395 M397 K431	F355-L429 HydrophobicContact CE1-CD1 4.31Å; L362-L429 HydrophobicContact CD2-CD1 4.36Å; L362-L429 HydrophobicContact CD2-CD2 3.91Å; V375-L429 HydrophobicContact CG1-CD1 4.15Å; V375-L429 HydrophobicContact CG1-CD2 4.17Å; I376-L429 HydrophobicContact CD1-CD2 3.72Å; I376-L429 HydrophobicContact CG1-CD2 4.15Å; I376-L429 HydrophobicContact CG2-CD2 4.21Å; Y390-L429 HydrophobicContact CD2-CD1 4.43Å; Y390-L429 HydrophobicContact CE2-CD1 4.11Å; N395-L429 PolarHBondContact ND2-O 3.46Å; N395-L429 WeakPolarHBondContact O-CB 3.32Å; N395-L429 WeakPolarHBondContact O-CG 3.26Å; N395-L429 PolarHBondContact O-N 3.33Å; M397-L429 HydrophobicContact CB-CD1 4.26Å; M397-L429 HydrophobicContact CB-CD2 4.16Å; M397-L429 HydrophobicContact CB-CG 4.25Å; M397-L429 HydrophobicContact CE-CD1 4.19Å; L429-K431 PolarHBondContact O-N 3.48Å
430	P	80	Confident	72.3	Confident	36 Å²	36	63.5 Å²	63.5	23%	0.234	37%	0.369	C	S	.	.			trans	-59.9	136.9	177.1	23.8	-33.3	0	0	0	111.1	N395 T432	N395-P430 PolarHBondContact ND2-O 3.19Å; P430-T432 VanDerWaalsContact C-N 3.34Å
431	K	72.3	Confident	73.1	Confident	198 Å²	198	65.8 Å²	65.8	86%	0.861	37%	0.374	S	S	*	.	S	Bend	trans	-66.6	-36.6	-178.4	-68.8	-178.4	178	178.2	0	112.2	L429	L429-K431 PolarHBondContact O-N 3.48Å
432	T	63.2	Low	73.3	Confident	126 Å²	126	67.4 Å²	67.4	77%	0.773	37%	0.373	S	S	*	.	S	Bend	trans	-105.1	114.3	178.6	-35.3	0	0	0	0	107.7	P430	P430-T432 VanDerWaalsContact C-N 3.34Å
433	M	57.7	Low	73	Confident	61 Å²	61	68.3 Å²	68.3	30%	0.3	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-84	125.4	175	-67.6	-154.5	71.6	0	0	109.9	R364 V375	R364-M433 VanDerWaalsContact CZ-SD 3.51Å; R364-M433 PolarHBondContact NH2-SD 3.28Å; R364-M433 VanDerWaalsContact NH2-SD 3.45Å; V375-M433 HydrophobicContact CB-CE 4.02Å; V375-M433 HydrophobicContact CG1-CE 3.8Å; V375-M433 HydrophobicContact CG2-CE 4.04Å
434	G	52.1	Low	72.5	Confident	50 Å²	50	75.6 Å²	75.6	52%	0.515	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-58.3	157.5	177.6	0	0	0	0	0	113.5
435	S	53.6	Low	72.1	Confident	99 Å²	99	76.4 Å²	76.4	69%	0.692	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-60.7	147.3	170.9	50.5	0	0	0	0	110.1	N437 S438	S435-N437 PolarHBondContact O-N 2.9Å; S435-S438 PolarHBondContact O-N 3.46Å; S435-S438 VanDerWaalsContact O-N 3.07Å; S435-S438 PolarHBondContact O-OG 3.15Å; S435-S438 VanDerWaalsContact O-OG 3.09Å
436	S	54.6	Low	72	Confident	60 Å²	60	81.8 Å²	81.8	42%	0.42	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	9	-159	46	0	0	0	0	117.5	K371	K371-S436 PolarHBondContact NZ-OG 2.93Å
437	N	54.2	Low	71.7	Confident	156 Å²	156	83.7 Å²	83.7	83%	0.834	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-7.6	177.8	-62.3	17.6	0	0	0	112.8	S435	S435-N437 PolarHBondContact O-N 2.9Å
438	S	58.1	Low	71.6	Confident	67 Å²	67	84.5 Å²	84.5	47%	0.469	46%	0.46	S	S	.	.	S	Bend	trans	-72.3	139.2	170.9	57.7	0	0	0	0	110.9	S435	S435-S438 PolarHBondContact O-N 3.46Å; S435-S438 VanDerWaalsContact O-N 3.07Å; S435-S438 PolarHBondContact O-OG 3.15Å; S435-S438 VanDerWaalsContact O-OG 3.09Å
439	Q	63.2	Low	71.4	Confident	179 Å²	179	85.6 Å²	85.6	84%	0.836	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-62	140.6	168.7	-70	-173.4	-4.6	0	0	110.1	E441	Q439-E441 PolarHBondContact O-N 2.57Å
440	P	66	Low	71.4	Confident	28 Å²	28	85.3 Å²	85.3	18%	0.182	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-71.6	126.7	-177.1	29.5	-35	0	0	0	110.8	H361 P374	H361-P440 WeakPolarHBondContact ND1-CG 3.38Å; P374-P440 HydrophobicContact CB-CB 4.14Å; P374-P440 HydrophobicContact CB-CG 4.06Å; P374-P440 HydrophobicContact CG-CG 4.47Å
441	E	72.3	Confident	71.8	Confident	130 Å²	130	85.9 Å²	85.9	61%	0.607	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-58.2	146.8	-178.3	-65.6	-178.6	151.8	0	0	112.7	Q377 Q439 V443	Q377-E441 PolarHBondContact N-O 3.43Å; Q377-E441 VanDerWaalsContact N-O 3.14Å; Q439-E441 PolarHBondContact O-N 2.57Å; E441-V443 PolarHBondContact O-N 2.97Å
442	H	70.6	Confident	72.6	Confident	112 Å²	112	76.5 Å²	76.5	52%	0.519	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-91.3	90	178.2	-165.9	-66.5	0	0	0	110.2
443	V	76.3	Confident	74	Confident	28 Å²	28	71.4 Å²	71.4	17%	0.17	40%	0.402	C	S	.	.			trans	-79.5	131.1	-175.8	174.5	0	0	0	0	111.6	I376 Y427 M428 E441	I376-V443 HydrophobicContact CB-CG2 4.38Å; I376-V443 HydrophobicContact CG2-CB 4.27Å; I376-V443 HydrophobicContact CG2-CG2 3.57Å; Y427-V443 HydrophobicContact CD1-CB 4.31Å; Y427-V443 HydrophobicContact CD1-CG1 4.24Å; M428-V443 WeakPolarHBondContact O-CG1 3.27Å; E441-V443 PolarHBondContact O-N 2.97Å
444	E	78.2	Confident	75.7	Confident	178 Å²	178	69.3 Å²	69.3	83%	0.832	39%	0.394	S	S	*	.			trans	-62.2	137.9	174.9	-66.5	-161.1	132.6	0	0	112.7
445	S	85.2	Confident	77.7	Confident	17 Å²	17	68 Å²	68	12%	0.119	37%	0.374	C	S	.	.			trans	-105.3	131.8	-179.5	72.6	0	0	0	0	113.3	R379 D425 L426	R379-S445 WeakPolarHBondContact CD-OG 3.42Å; D425-S445 VanDerWaalsContact OD1-CB 3.29Å; D425-S445 WeakPolarHBondContact OD1-CB 3.48Å; D425-S445 PolarHBondContact OD1-OG 3.1Å; L426-S445 WeakPolarHBondContact O-CA 3.42Å
446	R	89.9	Confident	79.5	Confident	114 Å²	114	64.1 Å²	64.1	43%	0.43	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	112.5	167.8	-59.9	-179.5	-171	125.9	11.6	108.2	L426 L475 N477	L426-R446 HydrophobicContact CB-CB 4.33Å; L426-R446 WeakPolarHBondContact CB-O 3.46Å; L426-R446 PolarHBondContact N-O 3.19Å; L426-R446 PolarHBondContact O-N 2.96Å; R446-L475 WeakPolarHBondContact CD-O 3.49Å; R446-L475 PolarHBondContact NH1-O 2.85Å; R446-N477 HydrophobicContact CB-CB 4.09Å
447	S	88.8	Confident	81.1	Confident	43 Å²	43	62.3 Å²	62.3	30%	0.301	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	160	-166.3	66.8	0	0	0	0	115.2	R382 Y424 D425 N477	R382-S447 PolarHBondContact NH2-OG 2.57Å; Y424-S447 WeakPolarHBondContact O-CA 3.38Å; Y424-S447 WeakPolarHBondContact O-CB 3.42Å; D425-S447 WeakPolarHBondContact OD1-CB 3.43Å; S447-N477 PolarHBondContact O-ND2 2.86Å
448	G	89.2	Confident	82.7	Confident	19 Å²	19	61.9 Å²	61.9	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	172.4	171.3	0	0	0	0	0	112.6	V423 Y424	V423-G448 CarbonylContact C-O 3.57Å; V423-G448 WeakPolarHBondContact CA-O 3.35Å; Y424-G448 WeakPolarHBondContact CD1-O 3.26Å; Y424-G448 WeakPolarHBondContact CE1-O 3.42Å; Y424-G448 PolarHBondContact N-O 3.43Å; Y424-G448 PolarHBondContact O-N 2.73Å
449	S	87	Confident	84.2	Confident	85 Å²	85	62.2 Å²	62.2	59%	0.594	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	145.8	173.2	48.8	0	0	0	0	111.5	M422 V463	M422-S449 CarbonylContact O-C 3.57Å; M422-S449 WeakPolarHBondContact O-CA 3.45Å; S449-V463 WeakPolarHBondContact O-CG1 3.24Å
450	G	87.5	Confident	85.6	Confident	5 Å²	5	60.5 Å²	60.5	5%	0.052	31%	0.305	C	S	.	.			trans	173.9	144.7	175	0	0	0	0	0	113.4	L400 M422 L464	L400-G450 WeakPolarHBondContact CD1-O 3.42Å; M422-G450 CarbonylContact C-O 3.54Å; M422-G450 WeakPolarHBondContact CB-O 3.28Å; M422-G450 PolarHBondContact O-N 2.96Å; G450-L464 CarbonylContact C-O 3.52Å; G450-L464 WeakPolarHBondContact CA-O 3.46Å
451	I	87.4	Confident	87	Confident	49 Å²	49	59.1 Å²	59.1	25%	0.251	30%	0.296	S	S	.	.	S	Bend	trans	-73.3	-35.9	179.5	-61.9	175.5	0	0	0	111.1	L464	I451-L464 HydrophobicContact CB-CB 4.38Å; I451-L464 HydrophobicContact CB-CD2 4.08Å; I451-L464 HydrophobicContact CB-CG 4.19Å; I451-L464 HydrophobicContact CG2-CD2 4.17Å; I451-L464 PolarHBondContact N-O 3.17Å
452	A	89.8	Confident	88	Confident	1 Å²	1	53 Å²	53	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.8	179.8	0	0	0	0	0	110.8	V463 L464 F491	A452-V463 WeakPolarHBondContact O-CA 3.43Å; A452-L464 HydrophobicContact CB-CB 3.88Å; A452-L464 HydrophobicContact CB-CD2 4.35Å; A452-L464 PolarHBondContact O-N 3.31Å; A452-F491 HydrophobicContact CB-CD1 4.38Å; A452-F491 HydrophobicContact CB-CD2 4.35Å; A452-F491 HydrophobicContact CB-CE1 4.16Å; A452-F491 HydrophobicContact CB-CE2 4.06Å; A452-F491 HydrophobicContact CB-CG 4.48Å; A452-F491 HydrophobicContact CB-CZ 3.96Å
453	V	92.8	Very high	89.1	Confident	19 Å²	19	47.7 Å²	47.7	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.8	172.4	82.5	0	0	0	0	110.1	L398 L400 Y424 F461 A462 V463	L398-V453 HydrophobicContact CB-CG1 4.12Å; L398-V453 HydrophobicContact CD1-CG2 4.03Å; L398-V453 HydrophobicContact CD2-CG2 4.17Å; L400-V453 HydrophobicContact CB-CG1 3.98Å; Y424-V453 HydrophobicContact CD2-CG2 4.39Å; Y424-V453 HydrophobicContact CG-CG2 4.19Å; V453-F461 HydrophobicContact CG2-CD2 3.67Å; V453-F461 HydrophobicContact CG2-CE2 4.11Å; V453-A462 VanDerWaalsContact CA-O 3.29Å; V453-A462 WeakPolarHBondContact CA-O 3.37Å; V453-A462 VanDerWaalsContact CG2-O 3.22Å; V453-A462 WeakPolarHBondContact CG2-O 3.14Å; V453-V463 HydrophobicContact CG2-CG2 4.21Å
454	A	93.3	Very high	89.8	Confident	16 Å²	16	46.3 Å²	46.3	13%	0.132	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.7	173.8	0	0	0	0	0	111.8	F461 A462 F491 L499	A454-F461 CarbonylContact O-C 3.49Å; A454-F461 VanDerWaalsContact O-CA 3.29Å; A454-F461 WeakPolarHBondContact O-CA 3.27Å; A454-F461 WeakPolarHBondContact O-CB 3.43Å; A454-A462 PolarHBondContact N-O 3.16Å; A454-A462 VanDerWaalsContact N-O 3.16Å; A454-A462 PolarHBondContact O-N 3Å; A454-F491 HydrophobicContact CB-CD2 4.32Å; A454-F491 HydrophobicContact CB-CE2 3.74Å; A454-L499 HydrophobicContact CB-CD2 4.46Å
455	W	93.5	Very high	90.3	Very high	24 Å²	24	40.3 Å²	40.3	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.4	170.6	-64.6	108.4	0	0	0	110.9	G389 N391 A396 L398 L426 F461 L475 Y493	G389-W455 PolarHBondContact O-NE1 2.8Å; N391-W455 HydrophobicContact CB-CD2 3.73Å; N391-W455 VanDerWaalsContact CB-CE2 3.41Å; N391-W455 HydrophobicContact CB-CE3 4.17Å; N391-W455 HydrophobicContact CB-CG 4.2Å; N391-W455 HydrophobicContact CB-CH2 4.09Å; N391-W455 HydrophobicContact CB-CZ2 3.61Å; N391-W455 HydrophobicContact CB-CZ3 4.34Å; N391-W455 WeakPolarHBondContact ND2-CZ3 3.35Å; A396-W455 HydrophobicContact CB-CH2 3.78Å; A396-W455 HydrophobicContact CB-CZ2 3.75Å; L398-W455 HydrophobicContact CD1-CD2 3.74Å; L398-W455 VanDerWaalsContact CD1-CE2 3.41Å; L398-W455 HydrophobicContact CD1-CE3 4.34Å; L398-W455 HydrophobicContact CD1-CG 4.1Å; L398-W455 HydrophobicContact CD1-CH2 4.36Å; L398-W455 HydrophobicContact CD1-CZ2 3.77Å; L398-W455 HydrophobicContact CG-CH2 4.36Å; L398-W455 HydrophobicContact CG-CZ2 3.65Å; L426-W455 HydrophobicContact CD1-CH2 3.74Å; L426-W455 HydrophobicContact CD1-CZ2 3.9Å; W455-F461 HydrophobicContact CD2-CB 4.33Å; W455-F461 HydrophobicContact CE3-CB 3.87Å; W455-F461 HydrophobicContact CE3-CD1 4.5Å; W455-F461 HydrophobicContact CH2-CD1 4.45Å; W455-F461 HydrophobicContact CZ3-CB 4.25Å; W455-F461 HydrophobicContact CZ3-CD1 4.02Å; W455-L475 HydrophobicContact CH2-CD2 3.68Å; W455-L475 HydrophobicContact CZ3-CD2 3.69Å; W455-Y493 WeakPolarHBondContact O-CD2 3.28Å
456	I	91.3	Very high	90	Very high	16 Å²	16	45 Å²	45	8%	0.082	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-31.4	170.3	-63.6	165.8	0	0	0	110.2	R460 A462 I472 T496 G497 L499 V512	I456-R460 PolarHBondContact N-O 2.97Å; I456-A462 HydrophobicContact CD1-CB 3.57Å; I456-A462 HydrophobicContact CG1-CB 4.08Å; I456-I472 HydrophobicContact CD1-CD1 4.34Å; I456-I472 HydrophobicContact CD1-CG1 4.09Å; I456-I472 HydrophobicContact CD1-CG2 4.14Å; I456-T496 CarbonylContact O-C 3.52Å; I456-T496 WeakPolarHBondContact O-CA 3.48Å; I456-T496 WeakPolarHBondContact O-CG2 3.44Å; I456-G497 PolarHBondContact O-N 2.98Å; I456-L499 HydrophobicContact CD1-CD1 4.43Å; I456-L499 HydrophobicContact CG1-CD2 4.42Å; I456-L499 HydrophobicContact CG1-CG 4.48Å; I456-V512 HydrophobicContact CD1-CB 4.38Å; I456-V512 HydrophobicContact CD1-CG1 4.1Å; I456-V512 HydrophobicContact CD1-CG2 4.34Å
457	G	88.5	Confident	89.6	Confident	22 Å²	22	43.5 Å²	43.5	23%	0.227	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-178	177.1	0	0	0	0	0	112.2	N459 R460	G457-N459 VanDerWaalsContact C-N 3.32Å; G457-N459 PolarHBondContact O-N 2.76Å; G457-R460 PolarHBondContact N-O 3.4Å; G457-R460 VanDerWaalsContact N-O 3.08Å; G457-R460 PolarHBondContact O-N 2.89Å
458	R	87.7	Confident	89.2	Confident	148 Å²	148	42.2 Å²	42.2	56%	0.558	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-37.3	-54.2	-169.1	-167.1	-169.3	162.8	159.5	1	114.8	N391 I393 E394	N391-R458 PolarHBondContact ND2-O 2.93Å; I393-R458 HydrophobicContact CB-CG 4.01Å; I393-R458 HydrophobicContact CD1-CB 4.19Å; I393-R458 HydrophobicContact CD1-CG 3.86Å; I393-R458 HydrophobicContact CG2-CG 3.7Å; E394-R458 HydrophobicContact CG-CG 4.32Å; E394-R458 IonicContact OE1-CZ 2.63Å; E394-R458 IonicContact OE1-NE 3.5Å; E394-R458 PolarHBondContact OE1-NE 3.32Å; E394-R458 IonicContact OE1-NH2 2.79Å; E394-R458 PolarHBondContact OE1-NH2 3.42Å
459	N	89.4	Confident	89.1	Confident	74 Å²	74	41.8 Å²	41.8	40%	0.396	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	20.3	-176.8	-63.1	8.5	0	0	0	112.8	E394 G457 N474 L475	E394-N459 PolarHBondContact OE1-OD1 3.38Å; G457-N459 VanDerWaalsContact C-N 3.32Å; G457-N459 PolarHBondContact O-N 2.76Å; N459-N474 WeakPolarHBondContact O-CA 3.34Å; N459-L475 HydrophobicContact CB-CD1 4.09Å; N459-L475 HydrophobicContact CB-CG 4.29Å
460	R	93	Very high	89.3	Confident	142 Å²	142	37.7 Å²	37.7	54%	0.536	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.9	-172.5	-61.7	-175.3	-170.4	172.5	3.4	113.8	I456 G457 I472 K473	I456-R460 PolarHBondContact N-O 2.97Å; G457-R460 PolarHBondContact N-O 3.4Å; G457-R460 VanDerWaalsContact N-O 3.08Å; G457-R460 PolarHBondContact O-N 2.89Å; R460-I472 HydrophobicContact CB-CG2 3.98Å; R460-I472 HydrophobicContact CG-CG2 4.43Å; R460-K473 VanDerWaalsContact CA-O 3.28Å; R460-K473 WeakPolarHBondContact CA-O 3.35Å
461	F	94.3	Very high	89.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	154.8	172.9	64.3	-88.1	0	0	0	111.7	L398 Y424 L426 V453 A454 W455 V463 I472 K473 N474	L398-F461 HydrophobicContact CD1-CB 3.7Å; L398-F461 HydrophobicContact CD1-CD2 4.2Å; L398-F461 HydrophobicContact CD1-CG 3.92Å; L398-F461 HydrophobicContact CD2-CD1 4.48Å; L398-F461 HydrophobicContact CD2-CD2 4.19Å; L398-F461 HydrophobicContact CD2-CE2 4.21Å; L398-F461 HydrophobicContact CD2-CG 4.32Å; L398-F461 HydrophobicContact CD2-CZ 4.38Å; Y424-F461 HydrophobicContact CD2-CE2 4.26Å; Y424-F461 AromaticContact CE2-CE2 3.7Å; Y424-F461 HydrophobicContact CE2-CE2 3.7Å; Y424-F461 AromaticContact CE2-CZ 3.97Å; Y424-F461 HydrophobicContact CE2-CZ 3.97Å; L426-F461 HydrophobicContact CD2-CE1 3.87Å; L426-F461 HydrophobicContact CD2-CZ 4.4Å; V453-F461 HydrophobicContact CG2-CD2 3.67Å; V453-F461 HydrophobicContact CG2-CE2 4.11Å; A454-F461 CarbonylContact O-C 3.49Å; A454-F461 VanDerWaalsContact O-CA 3.29Å; A454-F461 WeakPolarHBondContact O-CA 3.27Å; A454-F461 WeakPolarHBondContact O-CB 3.43Å; W455-F461 HydrophobicContact CD2-CB 4.33Å; W455-F461 HydrophobicContact CE3-CB 3.87Å; W455-F461 HydrophobicContact CE3-CD1 4.5Å; W455-F461 HydrophobicContact CH2-CD1 4.45Å; W455-F461 HydrophobicContact CZ3-CB 4.25Å; W455-F461 HydrophobicContact CZ3-CD1 4.02Å; F461-V463 HydrophobicContact CD2-CG2 3.9Å; F461-V463 HydrophobicContact CE2-CG2 3.6Å; F461-I472 CarbonylContact O-C 3.57Å; F461-I472 WeakPolarHBondContact O-CA 3.48Å; F461-K473 HydrophobicContact CD1-CB 4.39Å; F461-K473 HydrophobicContact CD2-CB 4.32Å; F461-K473 HydrophobicContact CE1-CB 3.93Å; F461-K473 HydrophobicContact CE2-CB 3.86Å; F461-K473 HydrophobicContact CE2-CD 4.02Å; F461-K473 HydrophobicContact CE2-CG 4.32Å; F461-K473 HydrophobicContact CZ-CB 3.64Å; F461-K473 HydrophobicContact CZ-CD 4.07Å; F461-K473 HydrophobicContact CZ-CG 4.42Å; F461-K473 PolarHBondContact N-O 3.16Å; F461-K473 VanDerWaalsContact N-O 3.07Å; F461-K473 PolarHBondContact O-N 3.36Å; F461-N474 VanDerWaalsContact CE1-O 3.22Å; F461-N474 WeakPolarHBondContact CE1-O 3.25Å
462	A	94.2	Very high	89.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	147.2	170.2	0	0	0	0	0	111.2	V453 A454 I456 I470 V471 F491 L499	V453-A462 VanDerWaalsContact CA-O 3.29Å; V453-A462 WeakPolarHBondContact CA-O 3.37Å; V453-A462 VanDerWaalsContact CG2-O 3.22Å; V453-A462 WeakPolarHBondContact CG2-O 3.14Å; A454-A462 PolarHBondContact N-O 3.16Å; A454-A462 VanDerWaalsContact N-O 3.16Å; A454-A462 PolarHBondContact O-N 3Å; I456-A462 HydrophobicContact CD1-CB 3.57Å; I456-A462 HydrophobicContact CG1-CB 4.08Å; A462-I470 HydrophobicContact CB-CG2 3.8Å; A462-V471 CarbonylContact C-O 3.48Å; A462-V471 WeakPolarHBondContact CA-O 3.38Å; A462-F491 HydrophobicContact CB-CE1 3.97Å; A462-F491 HydrophobicContact CB-CE2 4.06Å; A462-F491 HydrophobicContact CB-CZ 3.51Å; A462-L499 HydrophobicContact CB-CD1 3.85Å
463	V	93.3	Very high	90	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.7	166.6	-176.5	0	0	0	0	108	Y424 S449 A452 V453 F461 I470 V471 K473	Y424-V463 HydrophobicContact CD1-CG1 4.07Å; Y424-V463 HydrophobicContact CD1-CG2 4.25Å; Y424-V463 HydrophobicContact CE1-CB 4.31Å; Y424-V463 HydrophobicContact CE1-CG1 3.63Å; Y424-V463 HydrophobicContact CE1-CG2 3.61Å; Y424-V463 HydrophobicContact CE2-CG2 4.42Å; S449-V463 WeakPolarHBondContact O-CG1 3.24Å; A452-V463 WeakPolarHBondContact O-CA 3.43Å; V453-V463 HydrophobicContact CG2-CG2 4.21Å; F461-V463 HydrophobicContact CD2-CG2 3.9Å; F461-V463 HydrophobicContact CE2-CG2 3.6Å; V463-I470 CarbonylContact O-C 3.53Å; V463-I470 WeakPolarHBondContact O-CA 3.45Å; V463-V471 PolarHBondContact N-O 3.13Å; V463-V471 PolarHBondContact O-N 3.27Å; V463-K473 HydrophobicContact CG2-CD 3.86Å; V463-K473 HydrophobicContact CG2-CG 4.26Å
464	L	92	Very high	90	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.9	166.9	-179.5	58.6	0	0	0	108.9	G450 I451 A452 G468 I470 V488 F491	G450-L464 CarbonylContact C-O 3.52Å; G450-L464 WeakPolarHBondContact CA-O 3.46Å; I451-L464 HydrophobicContact CB-CB 4.38Å; I451-L464 HydrophobicContact CB-CD2 4.08Å; I451-L464 HydrophobicContact CB-CG 4.19Å; I451-L464 HydrophobicContact CG2-CD2 4.17Å; I451-L464 PolarHBondContact N-O 3.17Å; A452-L464 HydrophobicContact CB-CB 3.88Å; A452-L464 HydrophobicContact CB-CD2 4.35Å; A452-L464 PolarHBondContact O-N 3.31Å; L464-G468 WeakPolarHBondContact CD1-O 3.41Å; L464-I470 HydrophobicContact CD1-CG1 4.03Å; L464-V488 HydrophobicContact CD1-CB 4.23Å; L464-V488 HydrophobicContact CD1-CG1 3.79Å; L464-V488 HydrophobicContact CD2-CG1 3.99Å; L464-F491 HydrophobicContact CB-CD1 4.02Å; L464-F491 HydrophobicContact CB-CE1 3.6Å; L464-F491 HydrophobicContact CB-CZ 4.44Å
465	E	87.7	Confident	89.9	Confident	51 Å²	51	38 Å²	38	24%	0.238	20%	0.202	C	C	.	.			trans	-73.6	159.2	174.6	-66.1	-177.6	158.9	0	0	111.1	S467 G468 S469 V471 K482	E465-S467 WeakPolarHBondContact CB-OG 3.27Å; E465-S467 PolarHBondContact O-N 3.23Å; E465-S467 PolarHBondContact OE2-OG 2.7Å; E465-G468 PolarHBondContact O-N 3.16Å; E465-S469 PolarHBondContact N-O 2.5Å; E465-S469 PolarHBondContact OE2-OG 2.73Å; E465-S469 VanDerWaalsContact OE2-OG 3.07Å; E465-V471 HydrophobicContact CG-CG2 4.07Å; E465-V471 WeakPolarHBondContact OE1-CG2 3.44Å; E465-K482 IonicContact OE1-NZ 2.63Å; E465-K482 IonicContact OE2-NZ 3.02Å; E465-K482 PolarHBondContact OE2-NZ 3.48Å
466	S	80.3	Confident	89.8	Confident	116 Å²	116	39.6 Å²	39.6	81%	0.811	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.7	176.5	48.6	0	0	0	0	114.4	G468	S466-G468 VanDerWaalsContact C-N 3.28Å
467	S	80.3	Confident	89.8	Confident	83 Å²	83	40.2 Å²	40.2	58%	0.58	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.2	170.9	57.6	0	0	0	0	114.2	E465 S469	E465-S467 WeakPolarHBondContact CB-OG 3.27Å; E465-S467 PolarHBondContact O-N 3.23Å; E465-S467 PolarHBondContact OE2-OG 2.7Å; S467-S469 PolarHBondContact O-N 3.33Å; S467-S469 PolarHBondContact OG-OG 2.89Å
468	G	81.1	Confident	89.9	Confident	15 Å²	15	44.6 Å²	44.6	16%	0.155	23%	0.234	C	C	.	.	S	Bend	trans	78.7	-2.3	-173	0	0	0	0	0	114.4	L464 E465 S466	L464-G468 WeakPolarHBondContact CD1-O 3.41Å; E465-G468 PolarHBondContact O-N 3.16Å; S466-G468 VanDerWaalsContact C-N 3.28Å
469	S	87.4	Confident	90.1	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.07	23%	0.234	C	C	.	.			trans	-86.7	141.5	178.3	63.8	0	0	0	0	112.4	E465 S467 K482	E465-S469 PolarHBondContact N-O 2.5Å; E465-S469 PolarHBondContact OE2-OG 2.73Å; E465-S469 VanDerWaalsContact OE2-OG 3.07Å; S467-S469 PolarHBondContact O-N 3.33Å; S467-S469 PolarHBondContact OG-OG 2.89Å; S469-K482 WeakPolarHBondContact OG-CE 3.16Å; S469-K482 PolarHBondContact OG-NZ 2.85Å; S469-K482 VanDerWaalsContact OG-NZ 3.14Å
470	I	90.7	Very high	90.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.2	-178.8	-57.9	177	0	0	0	109	A462 V463 L464 V483 Y485 F491 L499 I501	A462-I470 HydrophobicContact CB-CG2 3.8Å; V463-I470 CarbonylContact O-C 3.53Å; V463-I470 WeakPolarHBondContact O-CA 3.45Å; L464-I470 HydrophobicContact CD1-CG1 4.03Å; I470-V483 PolarHBondContact N-O 3.13Å; I470-V483 PolarHBondContact O-N 2.77Å; I470-V483 VanDerWaalsContact O-O 3.12Å; I470-Y485 HydrophobicContact CD1-CD2 3.99Å; I470-Y485 HydrophobicContact CD1-CE2 4.2Å; I470-F491 HydrophobicContact CD1-CD1 3.71Å; I470-F491 HydrophobicContact CD1-CE1 4.3Å; I470-F491 HydrophobicContact CG1-CD1 3.99Å; I470-F491 HydrophobicContact CG1-CE1 4.17Å; I470-F491 HydrophobicContact CG2-CD1 4.43Å; I470-F491 HydrophobicContact CG2-CE1 3.99Å; I470-L499 HydrophobicContact CD1-CD1 4.43Å; I470-L499 HydrophobicContact CG2-CD1 4.35Å; I470-I501 HydrophobicContact CD1-CD1 3.76Å; I470-I501 HydrophobicContact CD1-CG1 4.24Å
471	V	92.3	Very high	90	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.6	176.4	179.3	0	0	0	0	109.8	A462 V463 E465 K473 N479 K482	A462-V471 CarbonylContact C-O 3.48Å; A462-V471 WeakPolarHBondContact CA-O 3.38Å; V463-V471 PolarHBondContact N-O 3.13Å; V463-V471 PolarHBondContact O-N 3.27Å; E465-V471 HydrophobicContact CG-CG2 4.07Å; E465-V471 WeakPolarHBondContact OE1-CG2 3.44Å; V471-K473 HydrophobicContact CG1-CG 4.08Å; V471-N479 HydrophobicContact CG1-CB 3.94Å; V471-K482 HydrophobicContact CG2-CB 4.45Å; V471-K482 HydrophobicContact CG2-CD 3.91Å; V471-K482 HydrophobicContact CG2-CG 4Å
472	I	93	Very high	89.8	Confident	10 Å²	10	43.8 Å²	43.8	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129.5	170.4	-44.4	-179.2	0	0	0	108.4	I456 R460 F461 V480 K481 V512	I456-I472 HydrophobicContact CD1-CD1 4.34Å; I456-I472 HydrophobicContact CD1-CG1 4.09Å; I456-I472 HydrophobicContact CD1-CG2 4.14Å; R460-I472 HydrophobicContact CB-CG2 3.98Å; R460-I472 HydrophobicContact CG-CG2 4.43Å; F461-I472 CarbonylContact O-C 3.57Å; F461-I472 WeakPolarHBondContact O-CA 3.48Å; I472-V480 PolarHBondContact O-N 3.5Å; I472-K481 HydrophobicContact CB-CB 4.29Å; I472-K481 HydrophobicContact CD1-CB 4Å; I472-K481 HydrophobicContact CD1-CD 3.89Å; I472-K481 HydrophobicContact CD1-CG 4.34Å; I472-K481 HydrophobicContact CG1-CB 4.27Å; I472-K481 PolarHBondContact N-O 3.46Å; I472-K481 PolarHBondContact O-N 2.95Å; I472-V512 HydrophobicContact CD1-CG1 3.59Å; I472-V512 HydrophobicContact CG1-CG1 4.05Å
473	K	94.3	Very high	89.4	Confident	25 Å²	25	43.9 Å²	43.9	11%	0.109	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	156.8	179.2	-60.5	-167.1	174.4	-141.7	0	112.7	Y424 R460 F461 V463 V471 N477 E478 N479	Y424-K473 VanDerWaalsContact OH-CD 3.32Å; Y424-K473 WeakPolarHBondContact OH-CD 3.48Å; Y424-K473 VanDerWaalsContact OH-CE 3.27Å; Y424-K473 WeakPolarHBondContact OH-CE 3.3Å; Y424-K473 PolarHBondContact OH-NZ 3.09Å; R460-K473 VanDerWaalsContact CA-O 3.28Å; R460-K473 WeakPolarHBondContact CA-O 3.35Å; F461-K473 HydrophobicContact CD1-CB 4.39Å; F461-K473 HydrophobicContact CD2-CB 4.32Å; F461-K473 HydrophobicContact CE1-CB 3.93Å; F461-K473 HydrophobicContact CE2-CB 3.86Å; F461-K473 HydrophobicContact CE2-CD 4.02Å; F461-K473 HydrophobicContact CE2-CG 4.32Å; F461-K473 HydrophobicContact CZ-CB 3.64Å; F461-K473 HydrophobicContact CZ-CD 4.07Å; F461-K473 HydrophobicContact CZ-CG 4.42Å; F461-K473 PolarHBondContact N-O 3.16Å; F461-K473 VanDerWaalsContact N-O 3.07Å; F461-K473 PolarHBondContact O-N 3.36Å; V463-K473 HydrophobicContact CG2-CD 3.86Å; V463-K473 HydrophobicContact CG2-CG 4.26Å; V471-K473 HydrophobicContact CG1-CG 4.08Å; K473-N477 WeakPolarHBondContact CD-OD1 3.28Å; K473-N477 PolarHBondContact NZ-O 3.49Å; K473-E478 WeakPolarHBondContact CA-O 3.29Å; K473-E478 VanDerWaalsContact CB-O 3.31Å; K473-E478 WeakPolarHBondContact CB-O 3.29Å; K473-N479 WeakPolarHBondContact CE-OD1 3.33Å; K473-N479 PolarHBondContact NZ-OD1 2.78Å
474	N	92.6	Very high	88.9	Confident	35 Å²	35	48.1 Å²	48.1	19%	0.187	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	179	171.4	64.8	8.1	0	0	0	111.8	N459 F461 S476 N477 E478 V480	N459-N474 WeakPolarHBondContact O-CA 3.34Å; F461-N474 VanDerWaalsContact CE1-O 3.22Å; F461-N474 WeakPolarHBondContact CE1-O 3.25Å; N474-S476 VanDerWaalsContact CG-OG 3.31Å; N474-S476 PolarHBondContact ND2-OG 3.33Å; N474-S476 PolarHBondContact O-N 3.19Å; N474-S476 PolarHBondContact OD1-N 2.98Å; N474-S476 PolarHBondContact OD1-OG 3.32Å; N474-S476 VanDerWaalsContact OD1-OG 3.05Å; N474-N477 PolarHBondContact O-N 3.01Å; N474-N477 PolarHBondContact OD1-N 3.07Å; N474-E478 PolarHBondContact N-O 2.91Å; N474-E478 PolarHBondContact ND2-OE2 2.94Å; N474-E478 WeakPolarHBondContact OD1-CB 3.48Å; N474-E478 PolarHBondContact OD1-N 3.38Å; N474-E478 PolarHBondContact OD1-O 3.13Å; N474-V480 HydrophobicContact CB-CG2 3.75Å
475	L	91.4	Very high	88.4	Confident	26 Å²	26	50.3 Å²	50.3	14%	0.136	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.8	-178.4	-63	172	0	0	0	114.4	E394 L426 R446 W455 N459 N477	E394-L475 HydrophobicContact CB-CD1 4.28Å; E394-L475 HydrophobicContact CG-CD1 3.96Å; L426-L475 WeakPolarHBondContact CD2-O 3.33Å; R446-L475 WeakPolarHBondContact CD-O 3.49Å; R446-L475 PolarHBondContact NH1-O 2.85Å; W455-L475 HydrophobicContact CH2-CD2 3.68Å; W455-L475 HydrophobicContact CZ3-CD2 3.69Å; N459-L475 HydrophobicContact CB-CD1 4.09Å; N459-L475 HydrophobicContact CB-CG 4.29Å; L475-N477 VanDerWaalsContact C-N 3.28Å
476	S	90.1	Very high	88	Confident	56 Å²	56	53.1 Å²	53.1	39%	0.392	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.8	170.8	40.4	0	0	0	0	113.4	N474 E478	N474-S476 VanDerWaalsContact CG-OG 3.31Å; N474-S476 PolarHBondContact ND2-OG 3.33Å; N474-S476 PolarHBondContact O-N 3.19Å; N474-S476 PolarHBondContact OD1-N 2.98Å; N474-S476 PolarHBondContact OD1-OG 3.32Å; N474-S476 VanDerWaalsContact OD1-OG 3.05Å; S476-E478 VanDerWaalsContact C-N 3.3Å; S476-E478 WeakPolarHBondContact CB-OE1 3.34Å; S476-E478 PolarHBondContact O-N 2.8Å; S476-E478 PolarHBondContact OG-OE1 2.82Å
477	N	91.2	Very high	88	Confident	30 Å²	30	50.4 Å²	50.4	16%	0.16	30%	0.3	C	S	.	.			trans	72.4	14.5	176.7	-167	44.1	0	0	0	115.1	Y424 R446 S447 K473 N474 L475	Y424-N477 WeakPolarHBondContact CE2-OD1 3.29Å; Y424-N477 PolarHBondContact OH-OD1 3.11Å; R446-N477 HydrophobicContact CB-CB 4.09Å; S447-N477 PolarHBondContact O-ND2 2.86Å; K473-N477 WeakPolarHBondContact CD-OD1 3.28Å; K473-N477 PolarHBondContact NZ-O 3.49Å; N474-N477 PolarHBondContact O-N 3.01Å; N474-N477 PolarHBondContact OD1-N 3.07Å; L475-N477 VanDerWaalsContact C-N 3.28Å
478	E	92.1	Very high	88.3	Confident	113 Å²	113	47 Å²	47	53%	0.528	28%	0.276	S	S	.	.			trans	-76.5	154	172.8	-59.5	143.5	-145.5	0	0	111.4	K473 N474 S476 V480	K473-E478 WeakPolarHBondContact CA-O 3.29Å; K473-E478 VanDerWaalsContact CB-O 3.31Å; K473-E478 WeakPolarHBondContact CB-O 3.29Å; N474-E478 PolarHBondContact N-O 2.91Å; N474-E478 PolarHBondContact ND2-OE2 2.94Å; N474-E478 WeakPolarHBondContact OD1-CB 3.48Å; N474-E478 PolarHBondContact OD1-N 3.38Å; N474-E478 PolarHBondContact OD1-O 3.13Å; S476-E478 VanDerWaalsContact C-N 3.3Å; S476-E478 WeakPolarHBondContact CB-OE1 3.34Å; S476-E478 PolarHBondContact O-N 2.8Å; S476-E478 PolarHBondContact OG-OE1 2.82Å; E478-V480 PolarHBondContact O-N 3.37Å
479	N	91	Very high	88.5	Confident	103 Å²	103	49.9 Å²	49.9	55%	0.551	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	110.8	-179.9	-64.6	-11.9	0	0	0	110.8	V471 K473	V471-N479 HydrophobicContact CG1-CB 3.94Å; K473-N479 WeakPolarHBondContact CE-OD1 3.33Å; K473-N479 PolarHBondContact NZ-OD1 2.78Å
480	V	91	Very high	88.6	Confident	68 Å²	68	51.3 Å²	51.3	41%	0.412	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-39.2	-178.4	-179.8	0	0	0	0	112.3	I472 N474 E478	I472-V480 PolarHBondContact O-N 3.5Å; N474-V480 HydrophobicContact CB-CG2 3.75Å; E478-V480 PolarHBondContact O-N 3.37Å
481	K	90	Very high	88.7	Confident	68 Å²	68	51.5 Å²	51.5	30%	0.296	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	134.6	-177.6	-175.7	-176.9	179.6	-168.4	0	110.2	I472 V483 V512 A513	I472-K481 HydrophobicContact CB-CB 4.29Å; I472-K481 HydrophobicContact CD1-CB 4Å; I472-K481 HydrophobicContact CD1-CD 3.89Å; I472-K481 HydrophobicContact CD1-CG 4.34Å; I472-K481 HydrophobicContact CG1-CB 4.27Å; I472-K481 PolarHBondContact N-O 3.46Å; I472-K481 PolarHBondContact O-N 2.95Å; K481-V483 HydrophobicContact CD-CG2 4.14Å; K481-V483 HydrophobicContact CG-CG2 4.11Å; K481-V512 PolarHBondContact NZ-O 3.1Å; K481-A513 PolarHBondContact NZ-O 2.72Å
482	K	89.4	Confident	88.7	Confident	109 Å²	109	52.8 Å²	52.8	47%	0.474	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134.7	171.3	-169.8	151.4	179	153.7	0	110.3	E465 S469 V471	E465-K482 IonicContact OE1-NZ 2.63Å; E465-K482 IonicContact OE2-NZ 3.02Å; E465-K482 PolarHBondContact OE2-NZ 3.48Å; S469-K482 WeakPolarHBondContact OG-CE 3.16Å; S469-K482 PolarHBondContact OG-NZ 2.85Å; S469-K482 VanDerWaalsContact OG-NZ 3.14Å; V471-K482 HydrophobicContact CG2-CB 4.45Å; V471-K482 HydrophobicContact CG2-CD 3.91Å; V471-K482 HydrophobicContact CG2-CG 4Å
483	V	87.2	Confident	88.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112	180	-169.5	0	0	0	0	108.8	I470 K481 Y485 V512 K515	I470-V483 PolarHBondContact N-O 3.13Å; I470-V483 PolarHBondContact O-N 2.77Å; I470-V483 VanDerWaalsContact O-O 3.12Å; K481-V483 HydrophobicContact CD-CG2 4.14Å; K481-V483 HydrophobicContact CG-CG2 4.11Å; V483-Y485 HydrophobicContact CB-CE2 4.27Å; V483-Y485 HydrophobicContact CG1-CD2 4.03Å; V483-Y485 HydrophobicContact CG1-CE2 3.37Å; V483-V512 HydrophobicContact CG2-CG1 4.2Å; V483-K515 HydrophobicContact CG1-CB 4.48Å; V483-K515 HydrophobicContact CG1-CD 4.22Å; V483-K515 HydrophobicContact CG1-CG 3.92Å
484	S	82.8	Confident	88.5	Confident	90 Å²	90	56.9 Å²	56.9	63%	0.629	32%	0.316	S	S	*	.			trans	-94.5	133.8	177.5	-55.4	0	0	0	0	110.2
485	Y	81.5	Confident	88.2	Confident	47 Å²	47	56.3 Å²	56.3	18%	0.184	32%	0.319	C	S	.	.			trans	-128.2	151.9	167.4	-62.8	-90.3	0	0	0	107.6	I470 V483 I501 C510	I470-Y485 HydrophobicContact CD1-CD2 3.99Å; I470-Y485 HydrophobicContact CD1-CE2 4.2Å; V483-Y485 HydrophobicContact CB-CE2 4.27Å; V483-Y485 HydrophobicContact CG1-CD2 4.03Å; V483-Y485 HydrophobicContact CG1-CE2 3.37Å; Y485-I501 HydrophobicContact CD1-CD1 4.27Å; Y485-I501 HydrophobicContact CD2-CD1 3.51Å; Y485-I501 HydrophobicContact CE1-CD1 4.13Å; Y485-I501 HydrophobicContact CE2-CD1 3.32Å; Y485-I501 HydrophobicContact CG-CD1 3.99Å; Y485-C510 HydrophobicContact CE1-CB 4.35Å
486	S	78.8	Confident	87.9	Confident	110 Å²	110	60.3 Å²	60.3	77%	0.769	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	129.8	-178	51.8	0	0	0	0	112.3	V488	S486-V488 PolarHBondContact O-N 2.72Å
487	G	80.8	Confident	87.8	Confident	59 Å²	59	58.6 Å²	58.6	61%	0.608	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	24.4	166.7	0	0	0	0	0	116.1	D489 D503	G487-D489 PolarHBondContact O-N 2.68Å; G487-D503 WeakPolarHBondContact O-CA 3.47Å
488	V	86.5	Confident	87.9	Confident	12 Å²	12	59 Å²	59	7%	0.073	34%	0.338	C	S	.	.			trans	-69.5	121.9	179.7	-175.5	0	0	0	0	111.4	L464 S486 I501	L464-V488 HydrophobicContact CD1-CB 4.23Å; L464-V488 HydrophobicContact CD1-CG1 3.79Å; L464-V488 HydrophobicContact CD2-CG1 3.99Å; S486-V488 PolarHBondContact O-N 2.72Å; V488-I501 HydrophobicContact CB-CG2 4.25Å; V488-I501 HydrophobicContact CG1-CG2 3.77Å; V488-I501 HydrophobicContact CG2-CG2 3.5Å
489	D	84.9	Confident	87.9	Confident	74 Å²	74	53.7 Å²	53.7	40%	0.396	31%	0.313	S	S	.	.			trans	-106.8	-26.6	177.1	174.7	32	0	0	0	111.1	G487 R502 Y526	G487-D489 PolarHBondContact O-N 2.68Å; D489-R502 PolarHBondContact N-O 2.9Å; D489-R502 IonicContact OD1-NH2 3.96Å; D489-R502 IonicContact OD2-CZ 2.64Å; D489-R502 IonicContact OD2-NE 4Å; D489-R502 IonicContact OD2-NH2 2.67Å; D489-R502 PolarHBondContact OD2-NH2 2.8Å; D489-Y526 WeakPolarHBondContact OD2-CE2 3.32Å
490	Q	88.8	Confident	88.1	Confident	40 Å²	40	48.8 Å²	48.8	19%	0.187	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	158.9	172.7	-171	64.8	4.1	0	0	111.7	F492 R502	Q490-F492 HydrophobicContact CG-CE1 4.27Å; Q490-F492 HydrophobicContact CG-CE2 4.05Å; Q490-F492 HydrophobicContact CG-CZ 3.83Å; Q490-R502 HydrophobicContact CB-CB 4.49Å; Q490-R502 VanDerWaalsContact CB-CZ 3.45Å; Q490-R502 VanDerWaalsContact CB-NH2 3.33Å; Q490-R502 PolarHBondContact N-O 3.47Å; Q490-R502 PolarHBondContact O-N 3.27Å
491	F	92.7	Very high	88.1	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	164.8	158.7	64.2	-113.7	0	0	0	112.8	A452 A454 A462 L464 I470 L499 L500 I501	A452-F491 HydrophobicContact CB-CD1 4.38Å; A452-F491 HydrophobicContact CB-CD2 4.35Å; A452-F491 HydrophobicContact CB-CE1 4.16Å; A452-F491 HydrophobicContact CB-CE2 4.06Å; A452-F491 HydrophobicContact CB-CG 4.48Å; A452-F491 HydrophobicContact CB-CZ 3.96Å; A454-F491 HydrophobicContact CB-CD2 4.32Å; A454-F491 HydrophobicContact CB-CE2 3.74Å; A462-F491 HydrophobicContact CB-CE1 3.97Å; A462-F491 HydrophobicContact CB-CE2 4.06Å; A462-F491 HydrophobicContact CB-CZ 3.51Å; L464-F491 HydrophobicContact CB-CD1 4.02Å; L464-F491 HydrophobicContact CB-CE1 3.6Å; L464-F491 HydrophobicContact CB-CZ 4.44Å; I470-F491 HydrophobicContact CD1-CD1 3.71Å; I470-F491 HydrophobicContact CD1-CE1 4.3Å; I470-F491 HydrophobicContact CG1-CD1 3.99Å; I470-F491 HydrophobicContact CG1-CE1 4.17Å; I470-F491 HydrophobicContact CG2-CD1 4.43Å; I470-F491 HydrophobicContact CG2-CE1 3.99Å; F491-L499 HydrophobicContact CD1-CD1 4.28Å; F491-L499 HydrophobicContact CD2-CD1 4.17Å; F491-L499 HydrophobicContact CD2-CD2 3.87Å; F491-L499 HydrophobicContact CE2-CD1 4.49Å; F491-L499 HydrophobicContact CE2-CD2 4.28Å; F491-L499 HydrophobicContact CG-CD1 4.09Å; F491-L499 HydrophobicContact CG-CD2 4.46Å; F491-L500 CarbonylContact C-O 3.18Å; F491-L500 WeakPolarHBondContact CA-O 3.23Å; F491-I501 HydrophobicContact CB-CG1 4.37Å
492	F	92.7	Very high	88.2	Confident	28 Å²	28	43 Å²	43	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	158.2	174.6	-52.6	-89.4	0	0	0	110.7	Q490 L499 L500 R502 I507 I527 V530	Q490-F492 HydrophobicContact CG-CE1 4.27Å; Q490-F492 HydrophobicContact CG-CE2 4.05Å; Q490-F492 HydrophobicContact CG-CZ 3.83Å; F492-L499 WeakPolarHBondContact O-CA 3.47Å; F492-L499 WeakPolarHBondContact O-CD2 3.41Å; F492-L500 HydrophobicContact CB-CB 4.26Å; F492-L500 PolarHBondContact N-O 2.89Å; F492-L500 PolarHBondContact O-N 3.11Å; F492-R502 HydrophobicContact CE2-CB 4.49Å; F492-I507 HydrophobicContact CD2-CD1 4.03Å; F492-I507 HydrophobicContact CE2-CD1 4.22Å; F492-I527 HydrophobicContact CE2-CG2 4.03Å; F492-I527 HydrophobicContact CZ-CG2 4.06Å; F492-V530 HydrophobicContact CB-CB 3.98Å; F492-V530 HydrophobicContact CB-CG1 4.47Å; F492-V530 HydrophobicContact CB-CG2 3.88Å; F492-V530 HydrophobicContact CD1-CB 4.16Å; F492-V530 HydrophobicContact CD1-CG2 3.86Å; F492-V530 HydrophobicContact CD2-CG2 3.58Å; F492-V530 HydrophobicContact CE1-CG2 4.27Å; F492-V530 HydrophobicContact CE2-CG2 4.02Å; F492-V530 HydrophobicContact CG-CB 3.99Å; F492-V530 HydrophobicContact CG-CG2 3.49Å; F492-V530 VanDerWaalsContact CG-CG2 3.49Å; F492-V530 HydrophobicContact CZ-CG2 4.35Å
493	Y	91.5	Very high	88.1	Confident	114 Å²	114	39.8 Å²	39.8	45%	0.447	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	140.5	173.7	175.7	-107.4	0	0	0	111.6	W455 G495 W532	W455-Y493 WeakPolarHBondContact O-CD2 3.28Å; Y493-G495 WeakPolarHBondContact CE2-O 3.4Å; Y493-G495 VanDerWaalsContact CZ-CA 3.45Å; Y493-G495 WeakPolarHBondContact OH-CA 3.32Å; Y493-W532 PolarHBondContact O-NE1 3.46Å
494	A	91	Very high	87.8	Confident	8 Å²	8	44.9 Å²	44.9	7%	0.066	28%	0.28	C	S	.	.			trans	-139.9	32	-177.3	0	0	0	0	0	113.9	N498 L500 L509 W532	A494-N498 HydrophobicContact CB-CB 4.01Å; A494-N498 PolarHBondContact N-O 2.98Å; A494-N498 WeakPolarHBondContact O-CB 3.42Å; A494-L500 HydrophobicContact CB-CB 4.3Å; A494-L500 HydrophobicContact CB-CD1 4.22Å; A494-L500 HydrophobicContact CB-CG 3.84Å; A494-L509 HydrophobicContact CB-CD1 3.51Å; A494-W532 HydrophobicContact CB-CZ2 3.83Å
495	G	86.6	Confident	87.7	Confident	23 Å²	23	45.8 Å²	45.8	24%	0.237	28%	0.277	C	S	.	.	S	Bend	trans	93.1	172.4	-170.4	0	0	0	0	0	112.6	Y493 G497 N498	Y493-G495 WeakPolarHBondContact CE2-O 3.4Å; Y493-G495 VanDerWaalsContact CZ-CA 3.45Å; Y493-G495 WeakPolarHBondContact OH-CA 3.32Å; G495-G497 PolarHBondContact O-N 3.29Å; G495-N498 PolarHBondContact O-N 3.37Å
496	T	86	Confident	88	Confident	109 Å²	109	43.8 Å²	43.8	67%	0.669	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	132.2	179.5	-44.9	0	0	0	0	110.7	I456 N498	I456-T496 CarbonylContact O-C 3.52Å; I456-T496 WeakPolarHBondContact O-CA 3.48Å; I456-T496 WeakPolarHBondContact O-CG2 3.44Å; T496-N498 VanDerWaalsContact C-N 3.26Å; T496-N498 PolarHBondContact O-N 2.99Å
497	G	88.1	Confident	88.7	Confident	21 Å²	21	38.5 Å²	38.5	22%	0.216	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-18.5	-176.9	0	0	0	0	0	115.6	I456 G495 V512	I456-G497 PolarHBondContact O-N 2.98Å; G495-G497 PolarHBondContact O-N 3.29Å; G497-V512 WeakPolarHBondContact O-CG2 3.31Å; G497-V512 PolarHBondContact O-N 3.49Å
498	N	92.2	Very high	89.2	Confident	39 Å²	39	36.3 Å²	36.3	21%	0.209	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.5	-165.6	-67.1	-19.8	0	0	0	113.5	A494 G495 T496 L509 C510	A494-N498 HydrophobicContact CB-CB 4.01Å; A494-N498 PolarHBondContact N-O 2.98Å; A494-N498 WeakPolarHBondContact O-CB 3.42Å; G495-N498 PolarHBondContact O-N 3.37Å; T496-N498 VanDerWaalsContact C-N 3.26Å; T496-N498 PolarHBondContact O-N 2.99Å; N498-L509 HydrophobicContact CB-CD1 4.28Å; N498-C510 WeakPolarHBondContact CA-O 3.44Å
499	L	93	Very high	89.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.8	171	-68	175.3	0	0	0	111.2	A454 I456 A462 I470 F491 F492 I501 C510 V512	A454-L499 HydrophobicContact CB-CD2 4.46Å; I456-L499 HydrophobicContact CD1-CD1 4.43Å; I456-L499 HydrophobicContact CG1-CD2 4.42Å; I456-L499 HydrophobicContact CG1-CG 4.48Å; A462-L499 HydrophobicContact CB-CD1 3.85Å; I470-L499 HydrophobicContact CD1-CD1 4.43Å; I470-L499 HydrophobicContact CG2-CD1 4.35Å; F491-L499 HydrophobicContact CD1-CD1 4.28Å; F491-L499 HydrophobicContact CD2-CD1 4.17Å; F491-L499 HydrophobicContact CD2-CD2 3.87Å; F491-L499 HydrophobicContact CE2-CD1 4.49Å; F491-L499 HydrophobicContact CE2-CD2 4.28Å; F491-L499 HydrophobicContact CG-CD1 4.09Å; F491-L499 HydrophobicContact CG-CD2 4.46Å; F492-L499 WeakPolarHBondContact O-CA 3.47Å; F492-L499 WeakPolarHBondContact O-CD2 3.41Å; L499-I501 HydrophobicContact CB-CG1 4.14Å; L499-C510 PolarHBondContact N-O 2.91Å; L499-C510 PolarHBondContact O-N 3.41Å; L499-V512 HydrophobicContact CB-CG2 4.13Å; L499-V512 HydrophobicContact CD1-CG2 3.76Å; L499-V512 HydrophobicContact CG-CG2 3.72Å
500	L	93.7	Very high	89.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	103.5	165.7	-88.5	166.8	0	0	0	108.7	F491 F492 A494 I507 S508 L509 V530 W532 V539 L554	F491-L500 CarbonylContact C-O 3.18Å; F491-L500 WeakPolarHBondContact CA-O 3.23Å; F492-L500 HydrophobicContact CB-CB 4.26Å; F492-L500 PolarHBondContact N-O 2.89Å; F492-L500 PolarHBondContact O-N 3.11Å; A494-L500 HydrophobicContact CB-CB 4.3Å; A494-L500 HydrophobicContact CB-CD1 4.22Å; A494-L500 HydrophobicContact CB-CG 3.84Å; L500-I507 HydrophobicContact CB-CD1 4.01Å; L500-I507 HydrophobicContact CB-CG1 4.24Å; L500-I507 HydrophobicContact CD2-CD1 4.28Å; L500-I507 HydrophobicContact CD2-CG1 4.1Å; L500-S508 CarbonylContact C-O 2.94Å; L500-S508 WeakPolarHBondContact CA-O 3.44Å; L500-L509 HydrophobicContact CD2-CB 4.02Å; L500-L509 HydrophobicContact CD2-CD1 4.33Å; L500-L509 HydrophobicContact CG-CD1 4.23Å; L500-V530 HydrophobicContact CD1-CG1 3.72Å; L500-W532 HydrophobicContact CD1-CZ2 3.61Å; L500-W532 HydrophobicContact CG-CZ2 4.43Å; L500-V539 HydrophobicContact CD1-CG2 4.35Å; L500-L554 HydrophobicContact CD2-CD1 3.82Å; L500-L554 HydrophobicContact CD2-CD2 3.92Å; L500-L554 HydrophobicContact CD2-CG 4.41Å
501	I	92.6	Very high	90	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.036	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.9	-174.7	-57.4	-175.8	0	0	0	109.3	I470 Y485 V488 F491 L499 I507 S508 C510	I470-I501 HydrophobicContact CD1-CD1 3.76Å; I470-I501 HydrophobicContact CD1-CG1 4.24Å; Y485-I501 HydrophobicContact CD1-CD1 4.27Å; Y485-I501 HydrophobicContact CD2-CD1 3.51Å; Y485-I501 HydrophobicContact CE1-CD1 4.13Å; Y485-I501 HydrophobicContact CE2-CD1 3.32Å; Y485-I501 HydrophobicContact CG-CD1 3.99Å; V488-I501 HydrophobicContact CB-CG2 4.25Å; V488-I501 HydrophobicContact CG1-CG2 3.77Å; V488-I501 HydrophobicContact CG2-CG2 3.5Å; F491-I501 HydrophobicContact CB-CG1 4.37Å; L499-I501 HydrophobicContact CB-CG1 4.14Å; I501-I507 CarbonylContact O-C 3.58Å; I501-I507 WeakPolarHBondContact O-CA 3.5Å; I501-I507 WeakPolarHBondContact O-CG1 3.33Å; I501-S508 PolarHBondContact N-O 3.13Å; I501-S508 PolarHBondContact O-N 3.21Å; I501-C510 HydrophobicContact CD1-CB 3.77Å; I501-C510 HydrophobicContact CG1-CB 4.26Å
502	R	91.3	Very high	89.7	Confident	8 Å²	8	32.1 Å²	32.1	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.8	179.3	-168	-166.3	72	-138.5	-7.1	110.7	D489 Q490 F492 G506 I507 Y526 I527	D489-R502 PolarHBondContact N-O 2.9Å; D489-R502 IonicContact OD1-NH2 3.96Å; D489-R502 IonicContact OD2-CZ 2.64Å; D489-R502 IonicContact OD2-NE 4Å; D489-R502 IonicContact OD2-NH2 2.67Å; D489-R502 PolarHBondContact OD2-NH2 2.8Å; Q490-R502 HydrophobicContact CB-CB 4.49Å; Q490-R502 VanDerWaalsContact CB-CZ 3.45Å; Q490-R502 VanDerWaalsContact CB-NH2 3.33Å; Q490-R502 PolarHBondContact N-O 3.47Å; Q490-R502 PolarHBondContact O-N 3.27Å; F492-R502 HydrophobicContact CE2-CB 4.49Å; R502-G506 WeakPolarHBondContact CG-O 3.34Å; R502-I507 HydrophobicContact CB-CG1 4.31Å; R502-Y526 VanDerWaalsContact CZ-CZ 3.47Å; R502-Y526 VanDerWaalsContact NH2-CZ 3.35Å; R502-Y526 PolarHBondContact NH2-OH 3.34Å; R502-Y526 VanDerWaalsContact NH2-OH 3.09Å; R502-I527 PolarHBondContact NH1-O 3.39Å
503	D	87.2	Confident	89.2	Confident	42 Å²	42	34 Å²	34	23%	0.225	21%	0.209	C	C	.	.			trans	-113.7	-163.6	172.3	60.1	38.1	0	0	0	110.5	G487 N505 G506	G487-D503 WeakPolarHBondContact O-CA 3.47Å; D503-N505 VanDerWaalsContact C-N 3.28Å; D503-N505 PolarHBondContact O-N 3.33Å; D503-N505 WeakPolarHBondContact OD1-CA 3.31Å; D503-N505 WeakPolarHBondContact OD1-CB 3.2Å; D503-N505 PolarHBondContact OD1-N 3.18Å; D503-G506 PolarHBondContact N-O 3.15Å; D503-G506 PolarHBondContact OD1-N 2.96Å
504	S	81.2	Confident	88.9	Confident	108 Å²	108	34.4 Å²	34.4	76%	0.755	22%	0.219	S	C	*	.	S	Bend	trans	-72.4	-17.4	176.9	58.8	0	0	0	0	114.6
505	N	80.4	Confident	88.6	Confident	108 Å²	108	39.7 Å²	39.7	58%	0.578	24%	0.241	S	C	*	.	S	Bend	trans	-116	-20.2	-163.2	-60.4	-12.1	0	0	0	113	D503 H523	D503-N505 VanDerWaalsContact C-N 3.28Å; D503-N505 PolarHBondContact O-N 3.33Å; D503-N505 WeakPolarHBondContact OD1-CA 3.31Å; D503-N505 WeakPolarHBondContact OD1-CB 3.2Å; D503-N505 PolarHBondContact OD1-N 3.18Å; N505-H523 PolarHBondContact O-N 2.93Å
506	G	87.8	Confident	88.6	Confident	5 Å²	5	46.8 Å²	46.8	5%	0.052	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-155.6	-177.4	0	0	0	0	0	115.2	R502 D503 L521	R502-G506 WeakPolarHBondContact CG-O 3.34Å; D503-G506 PolarHBondContact N-O 3.15Å; D503-G506 PolarHBondContact OD1-N 2.96Å; G506-L521 CarbonylContact C-O 3.59Å; G506-L521 WeakPolarHBondContact CA-O 3.12Å
507	I	93	Very high	88.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.7	172.1	-159.1	169.6	0	0	0	109.6	F492 L500 I501 R502 T520 L521 I524 I527 V530 M541 L554	F492-I507 HydrophobicContact CD2-CD1 4.03Å; F492-I507 HydrophobicContact CE2-CD1 4.22Å; L500-I507 HydrophobicContact CB-CD1 4.01Å; L500-I507 HydrophobicContact CB-CG1 4.24Å; L500-I507 HydrophobicContact CD2-CD1 4.28Å; L500-I507 HydrophobicContact CD2-CG1 4.1Å; I501-I507 CarbonylContact O-C 3.58Å; I501-I507 WeakPolarHBondContact O-CA 3.5Å; I501-I507 WeakPolarHBondContact O-CG1 3.33Å; R502-I507 HydrophobicContact CB-CG1 4.31Å; I507-T520 WeakPolarHBondContact O-CA 3.32Å; I507-L521 HydrophobicContact CG2-CB 4.2Å; I507-L521 PolarHBondContact N-O 2.93Å; I507-L521 PolarHBondContact O-N 3.45Å; I507-I524 HydrophobicContact CB-CD1 3.99Å; I507-I524 HydrophobicContact CG2-CD1 3.67Å; I507-I527 HydrophobicContact CB-CD1 4.08Å; I507-I527 HydrophobicContact CD1-CD1 3.73Å; I507-I527 HydrophobicContact CD1-CG2 4.47Å; I507-I527 HydrophobicContact CG2-CD1 3.79Å; I507-V530 HydrophobicContact CD1-CG2 4.33Å; I507-M541 HydrophobicContact CD1-SD 4.11Å; I507-M541 HydrophobicContact CG2-CE 4.24Å; I507-M541 HydrophobicContact CG2-SD 3.99Å; I507-L554 HydrophobicContact CG2-CD1 4.47Å
508	S	92.6	Very high	88.9	Confident	13 Å²	13	47.8 Å²	47.8	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.3	-175.8	-64.4	0	0	0	0	110.9	L500 I501 S519 T520	L500-S508 CarbonylContact C-O 2.94Å; L500-S508 WeakPolarHBondContact CA-O 3.44Å; I501-S508 PolarHBondContact N-O 3.13Å; I501-S508 PolarHBondContact O-N 3.21Å; S508-S519 CarbonylContact C-O 3.57Å; S508-S519 WeakPolarHBondContact CA-O 3.43Å; S508-T520 VanDerWaalsContact OG-CG2 3.24Å; S508-T520 WeakPolarHBondContact OG-CG2 3.35Å; S508-T520 PolarHBondContact OG-OG1 2.98Å
509	L	93.7	Very high	88.9	Confident	13 Å²	13	47.4 Å²	47.4	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.4	169	178.8	64.1	0	0	0	108.4	A494 N498 L500 L518 S519 R552 L554	A494-L509 HydrophobicContact CB-CD1 3.51Å; N498-L509 HydrophobicContact CB-CD1 4.28Å; L500-L509 HydrophobicContact CD2-CB 4.02Å; L500-L509 HydrophobicContact CD2-CD1 4.33Å; L500-L509 HydrophobicContact CG-CD1 4.23Å; L509-L518 HydrophobicContact CD2-CB 4.25Å; L509-L518 HydrophobicContact CD2-CD1 4.25Å; L509-L518 HydrophobicContact CG-CB 4.23Å; L509-L518 HydrophobicContact CG-CD1 4.21Å; L509-L518 PolarHBondContact O-N 3.14Å; L509-S519 PolarHBondContact N-O 2.9Å; L509-S519 PolarHBondContact O-N 3.48Å; L509-R552 WeakPolarHBondContact CD2-O 3.48Å; L509-L554 HydrophobicContact CB-CD1 4.03Å; L509-L554 HydrophobicContact CB-CG 4.47Å
510	C	91.7	Very high	88.8	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.6	-174.3	-62.7	0	0	0	0	112.4	Y485 N498 L499 I501 R516	Y485-C510 HydrophobicContact CE1-CB 4.35Å; N498-C510 WeakPolarHBondContact CA-O 3.44Å; L499-C510 PolarHBondContact N-O 2.91Å; L499-C510 PolarHBondContact O-N 3.41Å; I501-C510 HydrophobicContact CD1-CB 3.77Å; I501-C510 HydrophobicContact CG1-CB 4.26Å; C510-R516 WeakPolarHBondContact CA-O 3.42Å
511	D	90.8	Very high	88.7	Confident	25 Å²	25	51.5 Å²	51.5	13%	0.134	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	117.2	167.1	175	-19	0	0	0	109.4	A513 N514 K515 R516 L518	D511-A513 WeakPolarHBondContact OD1-CA 3.33Å; D511-A513 VanDerWaalsContact OD1-CB 3.31Å; D511-A513 WeakPolarHBondContact OD1-CB 3.39Å; D511-A513 PolarHBondContact OD1-N 3.19Å; D511-N514 PolarHBondContact OD1-N 3Å; D511-N514 WeakPolarHBondContact OD2-CB 3.35Å; D511-N514 PolarHBondContact OD2-ND2 3.17Å; D511-K515 CarbonylContact O-C 3.28Å; D511-K515 WeakPolarHBondContact O-CA 2.97Å; D511-K515 PolarHBondContact O-N 3.04Å; D511-R516 PolarHBondContact N-O 2.91Å; D511-R516 PolarHBondContact O-N 3.43Å; D511-L518 HydrophobicContact CB-CD1 4.38Å; D511-L518 HydrophobicContact CB-CD2 4.43Å; D511-L518 HydrophobicContact CB-CG 4.41Å
512	V	86.6	Confident	88.6	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.5	-176.2	-160.5	0	0	0	0	112.2	I456 I472 K481 V483 G497 L499	I456-V512 HydrophobicContact CD1-CB 4.38Å; I456-V512 HydrophobicContact CD1-CG1 4.1Å; I456-V512 HydrophobicContact CD1-CG2 4.34Å; I472-V512 HydrophobicContact CD1-CG1 3.59Å; I472-V512 HydrophobicContact CG1-CG1 4.05Å; K481-V512 PolarHBondContact NZ-O 3.1Å; V483-V512 HydrophobicContact CG2-CG1 4.2Å; G497-V512 WeakPolarHBondContact O-CG2 3.31Å; G497-V512 PolarHBondContact O-N 3.49Å; L499-V512 HydrophobicContact CB-CG2 4.13Å; L499-V512 HydrophobicContact CD1-CG2 3.76Å; L499-V512 HydrophobicContact CG-CG2 3.72Å
513	A	82.6	Confident	88.2	Confident	67 Å²	67	65.5 Å²	65.5	55%	0.554	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-52.4	172.7	0	0	0	0	0	110.2	K481 D511	K481-A513 PolarHBondContact NZ-O 2.72Å; D511-A513 WeakPolarHBondContact OD1-CA 3.33Å; D511-A513 VanDerWaalsContact OD1-CB 3.31Å; D511-A513 WeakPolarHBondContact OD1-CB 3.39Å; D511-A513 PolarHBondContact OD1-N 3.19Å
514	N	84.4	Confident	88.1	Confident	123 Å²	123	64.9 Å²	64.9	66%	0.658	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.2	-177.3	-64.2	-50.9	0	0	0	114.4	D511 R516	D511-N514 PolarHBondContact OD1-N 3Å; D511-N514 WeakPolarHBondContact OD2-CB 3.35Å; D511-N514 PolarHBondContact OD2-ND2 3.17Å; N514-R516 HydrophobicContact CB-CB 4.28Å; N514-R516 PolarHBondContact O-N 3.13Å
515	K	84.4	Confident	88.3	Confident	120 Å²	120	65.5 Å²	65.5	52%	0.522	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	23.9	-172.6	-52.9	-176.5	176.6	176.4	0	113.4	V483 D511	V483-K515 HydrophobicContact CG1-CB 4.48Å; V483-K515 HydrophobicContact CG1-CD 4.22Å; V483-K515 HydrophobicContact CG1-CG 3.92Å; D511-K515 CarbonylContact O-C 3.28Å; D511-K515 WeakPolarHBondContact O-CA 2.97Å; D511-K515 PolarHBondContact O-N 3.04Å
516	R	87.9	Confident	88.6	Confident	172 Å²	172	66.5 Å²	66.5	65%	0.649	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.9	-171.8	179.6	176	177.9	176.1	1.3	110.8	C510 D511 N514 L518	C510-R516 WeakPolarHBondContact CA-O 3.42Å; D511-R516 PolarHBondContact N-O 2.91Å; D511-R516 PolarHBondContact O-N 3.43Å; N514-R516 HydrophobicContact CB-CB 4.28Å; N514-R516 PolarHBondContact O-N 3.13Å; R516-L518 HydrophobicContact CG-CD2 4.27Å; R516-L518 PolarHBondContact O-N 3.21Å
517	T	88.3	Confident	88.7	Confident	66 Å²	66	66.3 Å²	66.3	41%	0.405	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	123.9	162.8	-52.4	0	0	0	0	109.2	T520	T517-T520 WeakPolarHBondContact CG2-OG1 3.23Å
518	L	91.3	Very high	88.4	Confident	85 Å²	85	72 Å²	72	45%	0.445	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-42.9	179.5	-58.8	179.2	0	0	0	111	L509 D511 R516	L509-L518 HydrophobicContact CD2-CB 4.25Å; L509-L518 HydrophobicContact CD2-CD1 4.25Å; L509-L518 HydrophobicContact CG-CB 4.23Å; L509-L518 HydrophobicContact CG-CD1 4.21Å; L509-L518 PolarHBondContact O-N 3.14Å; D511-L518 HydrophobicContact CB-CD1 4.38Å; D511-L518 HydrophobicContact CB-CD2 4.43Å; D511-L518 HydrophobicContact CB-CG 4.41Å; R516-L518 HydrophobicContact CG-CD2 4.27Å; R516-L518 PolarHBondContact O-N 3.21Å
519	S	91.7	Very high	88.4	Confident	30 Å²	30	74.1 Å²	74.1	21%	0.21	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	161.5	171.9	65.5	0	0	0	0	111.6	S508 L509 H553	S508-S519 CarbonylContact C-O 3.57Å; S508-S519 WeakPolarHBondContact CA-O 3.43Å; L509-S519 PolarHBondContact N-O 2.9Å; L509-S519 PolarHBondContact O-N 3.48Å; S519-H553 WeakPolarHBondContact CB-O 3.39Å; S519-H553 PolarHBondContact OG-O 2.95Å
520	T	92.3	Very high	88.3	Confident	59 Å²	59	74.7 Å²	74.7	36%	0.362	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	125.1	-179.6	-59.9	0	0	0	0	111.3	I507 S508 T517 K522	I507-T520 WeakPolarHBondContact O-CA 3.32Å; S508-T520 VanDerWaalsContact OG-CG2 3.24Å; S508-T520 WeakPolarHBondContact OG-CG2 3.35Å; S508-T520 PolarHBondContact OG-OG1 2.98Å; T517-T520 WeakPolarHBondContact CG2-OG1 3.23Å; T520-K522 HydrophobicContact CG2-CG 3.78Å
521	L	91.6	Very high	88.5	Confident	27 Å²	27	76.7 Å²	76.7	14%	0.141	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	107.3	171.8	179.6	62.3	0	0	0	109.7	G506 I507 I524 M541 L554 V556	G506-L521 CarbonylContact C-O 3.59Å; G506-L521 WeakPolarHBondContact CA-O 3.12Å; I507-L521 HydrophobicContact CG2-CB 4.2Å; I507-L521 PolarHBondContact N-O 2.93Å; I507-L521 PolarHBondContact O-N 3.45Å; L521-I524 HydrophobicContact CD1-CG2 4.36Å; L521-I524 HydrophobicContact CD2-CG2 3.83Å; L521-I524 HydrophobicContact CG-CD1 4.48Å; L521-I524 HydrophobicContact CG-CG2 3.74Å; L521-M541 HydrophobicContact CD2-CE 3.79Å; L521-L554 HydrophobicContact CB-CB 4.23Å; L521-L554 HydrophobicContact CB-CD1 4.4Å; L521-V556 HydrophobicContact CD1-CG2 3.68Å; L521-V556 HydrophobicContact CD2-CG2 3.88Å; L521-V556 HydrophobicContact CG-CG2 4.45Å
522	K	89.2	Confident	88.6	Confident	133 Å²	133	78 Å²	78	58%	0.578	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	170.1	-178.5	-59.7	-174.1	-178	176.6	0	112.3	T520 I524	T520-K522 HydrophobicContact CG2-CG 3.78Å; K522-I524 PolarHBondContact O-N 3.33Å; K522-I524 VanDerWaalsContact O-N 3.08Å
523	H	83.4	Confident	88.9	Confident	177 Å²	177	78.4 Å²	78.4	82%	0.819	38%	0.375	S	S	*	.	S	Bend	trans	63.9	9.3	172.4	-52.1	-78.2	0	0	0	116.3	N505	N505-H523 PolarHBondContact O-N 2.93Å
524	I	84.9	Confident	89.1	Confident	29 Å²	29	81 Å²	81	15%	0.149	39%	0.387	C	S	.	.			trans	-77.7	156.1	176.3	48.7	163.5	0	0	0	112.9	I507 L521 K522 I527 Y548	I507-I524 HydrophobicContact CB-CD1 3.99Å; I507-I524 HydrophobicContact CG2-CD1 3.67Å; L521-I524 HydrophobicContact CD1-CG2 4.36Å; L521-I524 HydrophobicContact CD2-CG2 3.83Å; L521-I524 HydrophobicContact CG-CD1 4.48Å; L521-I524 HydrophobicContact CG-CG2 3.74Å; K522-I524 PolarHBondContact O-N 3.33Å; K522-I524 VanDerWaalsContact O-N 3.08Å; I524-I527 HydrophobicContact CD1-CD1 3.4Å; I524-I527 HydrophobicContact CD1-CG1 4.06Å; I524-Y548 HydrophobicContact CB-CE2 4.22Å; I524-Y548 HydrophobicContact CG2-CD1 4.46Å; I524-Y548 HydrophobicContact CG2-CE1 4Å; I524-Y548 HydrophobicContact CG2-CE2 4.19Å
525	K	86	Confident	89.3	Confident	120 Å²	120	79.6 Å²	79.6	52%	0.522	38%	0.379	S	S	.	.			trans	-78.6	152.1	172.2	-53.3	-57.7	-178.1	-173.2	0	110.4	I527 T543 Y546 Y548	K525-I527 PolarHBondContact O-N 2.75Å; K525-T543 HydrophobicContact CB-CG2 4.16Å; K525-T543 WeakPolarHBondContact O-CG2 3.37Å; K525-Y546 HydrophobicContact CB-CD2 4.25Å; K525-Y546 HydrophobicContact CG-CD2 3.91Å; K525-Y546 HydrophobicContact CG-CE2 3.88Å; K525-Y548 PolarHBondContact N-OH 3.27Å
526	Y	85.6	Confident	89.6	Confident	129 Å²	129	75.2 Å²	75.2	51%	0.506	37%	0.369	S	S	.	.			trans	-41.8	103.4	-177.1	-176.2	-86.7	0	0	0	114.2	D489 R502 R528 T543	D489-Y526 WeakPolarHBondContact OD2-CE2 3.32Å; R502-Y526 VanDerWaalsContact CZ-CZ 3.47Å; R502-Y526 VanDerWaalsContact NH2-CZ 3.35Å; R502-Y526 PolarHBondContact NH2-OH 3.34Å; R502-Y526 VanDerWaalsContact NH2-OH 3.09Å; Y526-R528 HydrophobicContact CD1-CG 3.9Å; Y526-R528 HydrophobicContact CE1-CG 4Å; Y526-T543 WeakPolarHBondContact O-CA 3.49Å; Y526-T543 WeakPolarHBondContact O-CB 3.36Å; Y526-T543 WeakPolarHBondContact O-CG2 3.17Å
527	I	89.7	Confident	89.8	Confident	1 Å²	1	71.8 Å²	71.8	1%	0.005	36%	0.36	C	S	.	.			trans	-67.9	130.6	175.5	-70.8	169.5	0	0	0	109.7	F492 R502 I507 I524 K525 H529 V530 M541 T543	F492-I527 HydrophobicContact CE2-CG2 4.03Å; F492-I527 HydrophobicContact CZ-CG2 4.06Å; R502-I527 PolarHBondContact NH1-O 3.39Å; I507-I527 HydrophobicContact CB-CD1 4.08Å; I507-I527 HydrophobicContact CD1-CD1 3.73Å; I507-I527 HydrophobicContact CD1-CG2 4.47Å; I507-I527 HydrophobicContact CG2-CD1 3.79Å; I524-I527 HydrophobicContact CD1-CD1 3.4Å; I524-I527 HydrophobicContact CD1-CG1 4.06Å; K525-I527 PolarHBondContact O-N 2.75Å; I527-H529 WeakPolarHBondContact CG2-O 3.41Å; I527-V530 HydrophobicContact CG2-CG2 3.79Å; I527-M541 HydrophobicContact CD1-CB 3.81Å; I527-M541 HydrophobicContact CD1-CE 4.4Å; I527-M541 HydrophobicContact CD1-CG 4.31Å; I527-M541 HydrophobicContact CD1-SD 3.71Å; I527-M541 HydrophobicContact CG1-CB 4.24Å; I527-M541 HydrophobicContact CG2-CB 4.42Å; I527-T543 HydrophobicContact CG1-CG2 4.46Å
528	R	88.7	Confident	90.1	Very high	120 Å²	120	71.6 Å²	71.6	45%	0.453	35%	0.352	S	S	.	.			trans	-102.5	-33.7	177.9	-65.5	-174.8	170.6	-130.5	-13.3	112.6	Y526 F542	Y526-R528 HydrophobicContact CD1-CG 3.9Å; Y526-R528 HydrophobicContact CE1-CG 4Å; R528-F542 PolarHBondContact N-O 3.11Å
529	H	90.8	Very high	90.3	Very high	57 Å²	57	67.6 Å²	67.6	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.6	-174.2	-64.4	-66.5	0	0	0	110.5	R344 I527 F542	R344-H529 PolarHBondContact NH1-CD2 3.5Å; R344-H529 VanDerWaalsContact NH1-CD2 3.32Å; R344-H529 PolarHBondContact NH1-CE1 2.87Å; R344-H529 PolarHBondContact NH1-NE2 3.22Å; I527-H529 WeakPolarHBondContact CG2-O 3.41Å; H529-F542 HydrophobicContact CB-CD1 4.15Å; H529-F542 HydrophobicContact CB-CD2 4.3Å; H529-F542 HydrophobicContact CB-CE1 3.59Å; H529-F542 HydrophobicContact CB-CE2 3.79Å; H529-F542 HydrophobicContact CB-CG 4.47Å; H529-F542 HydrophobicContact CB-CZ 3.39Å; H529-F542 AromaticContact CD2-CE2 3.54Å; H529-F542 AromaticContact CD2-CZ 3.8Å; H529-F542 AromaticContact CG-CE2 3.98Å; H529-F542 AromaticContact CG-CZ 3.81Å; H529-F542 PolarHBondContact N-O 3.42Å; H529-F542 PolarHBondContact O-N 3.28Å
530	V	93.3	Very high	90.5	Very high	25 Å²	25	66.1 Å²	66.1	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.8	-178.1	176.6	0	0	0	0	107	F492 L500 I507 I527 V539 A540 M541	F492-V530 HydrophobicContact CB-CB 3.98Å; F492-V530 HydrophobicContact CB-CG1 4.47Å; F492-V530 HydrophobicContact CB-CG2 3.88Å; F492-V530 HydrophobicContact CD1-CB 4.16Å; F492-V530 HydrophobicContact CD1-CG2 3.86Å; F492-V530 HydrophobicContact CD2-CG2 3.58Å; F492-V530 HydrophobicContact CE1-CG2 4.27Å; F492-V530 HydrophobicContact CE2-CG2 4.02Å; F492-V530 HydrophobicContact CG-CB 3.99Å; F492-V530 HydrophobicContact CG-CG2 3.49Å; F492-V530 VanDerWaalsContact CG-CG2 3.49Å; F492-V530 HydrophobicContact CZ-CG2 4.35Å; L500-V530 HydrophobicContact CD1-CG1 3.72Å; I507-V530 HydrophobicContact CD1-CG2 4.33Å; I527-V530 HydrophobicContact CG2-CG2 3.79Å; V530-V539 HydrophobicContact CG1-CG2 3.43Å; V530-V539 VanDerWaalsContact CG1-CG2 3.43Å; V530-A540 CarbonylContact C-O 3.59Å; V530-A540 WeakPolarHBondContact CA-O 3.23Å; V530-M541 HydrophobicContact CG1-CG 4.25Å; V530-M541 HydrophobicContact CG2-CG 4.11Å; V530-M541 HydrophobicContact CG2-SD 4.47Å
531	I	94	Very high	90.7	Very high	44 Å²	44	63.3 Å²	63.3	23%	0.226	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	113.8	-177.8	-54	-173.4	0	0	0	109.2	A540 F542 G569 W571 F577	I531-A540 PolarHBondContact N-O 3.17Å; I531-A540 PolarHBondContact O-N 2.99Å; I531-F542 HydrophobicContact CD1-CE1 3.85Å; I531-F542 HydrophobicContact CG1-CE1 4.25Å; I531-G569 WeakPolarHBondContact CD1-O 3.4Å; I531-W571 PolarHBondContact O-NE1 3.21Å; I531-F577 HydrophobicContact CB-CE2 4.33Å; I531-F577 HydrophobicContact CD1-CZ 4.47Å; I531-F577 HydrophobicContact CG2-CE2 4.37Å
532	W	93.3	Very high	90.8	Very high	53 Å²	53	62.1 Å²	62.1	20%	0.201	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	151.1	177.5	-68.7	89.1	0	0	0	111.9	Y493 A494 L500 Y538 V539 R552 W571	Y493-W532 PolarHBondContact O-NE1 3.46Å; A494-W532 HydrophobicContact CB-CZ2 3.83Å; L500-W532 HydrophobicContact CD1-CZ2 3.61Å; L500-W532 HydrophobicContact CG-CZ2 4.43Å; W532-Y538 WeakPolarHBondContact CA-O 3.38Å; W532-V539 HydrophobicContact CD2-CB 3.91Å; W532-V539 HydrophobicContact CD2-CG2 3.82Å; W532-V539 HydrophobicContact CE3-CB 3.79Å; W532-V539 HydrophobicContact CE3-CG2 4.24Å; W532-V539 HydrophobicContact CG-CG2 4.2Å; W532-V539 HydrophobicContact CH2-CB 4.11Å; W532-V539 HydrophobicContact CH2-CG1 4.36Å; W532-V539 HydrophobicContact CH2-CG2 4.46Å; W532-V539 HydrophobicContact CZ2-CB 4.22Å; W532-V539 HydrophobicContact CZ2-CG2 4.06Å; W532-V539 HydrophobicContact CZ3-CB 3.9Å; W532-V539 HydrophobicContact CZ3-CG1 4.42Å; W532-R552 HydrophobicContact CZ3-CB 4.29Å; W532-W571 VanDerWaalsContact C-CD1 3.42Å
533	S	92.8	Very high	90.9	Very high	9 Å²	9	56 Å²	56	6%	0.063	27%	0.271	C	S	.	.			trans	-67.9	157	166.7	58.4	0	0	0	0	110.7	D535 G536 Q537 Y538 W571	S533-D535 WeakPolarHBondContact CB-OD1 3.5Å; S533-D535 PolarHBondContact O-N 3.2Å; S533-D535 VanDerWaalsContact O-N 3.16Å; S533-D535 PolarHBondContact OG-OD1 2.86Å; S533-G536 PolarHBondContact O-N 2.97Å; S533-Q537 PolarHBondContact OG-N 2.65Å; S533-Y538 PolarHBondContact N-O 2.89Å; S533-Y538 PolarHBondContact OG-N 3.34Å; S533-Y538 PolarHBondContact OG-O 3.26Å; S533-W571 VanDerWaalsContact CA-CD1 3.47Å
534	P	87.5	Confident	91.1	Very high	123 Å²	123	51.4 Å²	51.4	80%	0.799	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.9	-175.2	-24.3	35.5	0	0	0	114.6
535	D	89.3	Confident	91.4	Very high	92 Å²	92	51.8 Å²	51.8	49%	0.492	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.7	177.1	65.8	-12.9	0	0	0	113.9	S533 Q537	S533-D535 WeakPolarHBondContact CB-OD1 3.5Å; S533-D535 PolarHBondContact O-N 3.2Å; S533-D535 VanDerWaalsContact O-N 3.16Å; S533-D535 PolarHBondContact OG-OD1 2.86Å; D535-Q537 VanDerWaalsContact C-N 3.27Å; D535-Q537 HydrophobicContact CB-CG 4.47Å; D535-Q537 PolarHBondContact O-N 3.33Å; D535-Q537 PolarHBondContact OD1-N 2.96Å; D535-Q537 VanDerWaalsContact OD1-N 3.09Å; D535-Q537 WeakPolarHBondContact OD2-CB 3.43Å; D535-Q537 WeakPolarHBondContact OD2-CG 3.5Å; D535-Q537 PolarHBondContact OD2-NE2 3.36Å
536	G	89.5	Confident	91.8	Very high	29 Å²	29	49.5 Å²	49.5	30%	0.299	24%	0.24	S	C	.	.	S	Bend	trans	71.4	9.6	-176.5	0	0	0	0	0	115.8	S533	S533-G536 PolarHBondContact O-N 2.97Å
537	Q	92.5	Very high	92.3	Very high	100 Å²	100	43.4 Å²	43.4	47%	0.467	22%	0.216	S	C	.	.	S	Bend	trans	-73.6	-30.9	177.9	-70.1	-171.1	42.2	0	0	113.3	S533 D535 D551 R552	S533-Q537 PolarHBondContact OG-N 2.65Å; D535-Q537 VanDerWaalsContact C-N 3.27Å; D535-Q537 HydrophobicContact CB-CG 4.47Å; D535-Q537 PolarHBondContact O-N 3.33Å; D535-Q537 PolarHBondContact OD1-N 2.96Å; D535-Q537 VanDerWaalsContact OD1-N 3.09Å; D535-Q537 WeakPolarHBondContact OD2-CB 3.43Å; D535-Q537 WeakPolarHBondContact OD2-CG 3.5Å; D535-Q537 PolarHBondContact OD2-NE2 3.36Å; Q537-D551 CarbonylContact O-C 3.34Å; Q537-D551 WeakPolarHBondContact O-CA 3.49Å; Q537-R552 PolarHBondContact O-N 2.93Å
538	Y	94.9	Very high	92.5	Very high	62 Å²	62	44.3 Å²	44.3	24%	0.243	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.2	-173.4	-56.9	-78.4	0	0	0	112.5	W532 S533 C550 D551 W571 L590	W532-Y538 WeakPolarHBondContact CA-O 3.38Å; S533-Y538 PolarHBondContact N-O 2.89Å; S533-Y538 PolarHBondContact OG-N 3.34Å; S533-Y538 PolarHBondContact OG-O 3.26Å; Y538-C550 CarbonylContact C-O 3.59Å; Y538-C550 WeakPolarHBondContact CA-O 3.22Å; Y538-D551 HydrophobicContact CD1-CB 4.26Å; Y538-D551 HydrophobicContact CE1-CB 4.39Å; Y538-W571 HydrophobicContact CG-CH2 4.37Å; Y538-L590 HydrophobicContact CD1-CD1 4.1Å; Y538-L590 HydrophobicContact CD1-CD2 3.79Å; Y538-L590 HydrophobicContact CD2-CD1 4.39Å; Y538-L590 HydrophobicContact CE1-CD1 3.69Å; Y538-L590 HydrophobicContact CE1-CD2 4.12Å; Y538-L590 HydrophobicContact CE2-CD1 4.01Å; Y538-L590 HydrophobicContact CG-CD1 4.43Å; Y538-L590 HydrophobicContact CG-CD2 4.2Å
539	V	95.2	Very high	92.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	123.9	178.5	67.5	0	0	0	0	111.2	L500 V530 W532 M541 C550 L554	L500-V539 HydrophobicContact CD1-CG2 4.35Å; V530-V539 HydrophobicContact CG1-CG2 3.43Å; V530-V539 VanDerWaalsContact CG1-CG2 3.43Å; W532-V539 HydrophobicContact CD2-CB 3.91Å; W532-V539 HydrophobicContact CD2-CG2 3.82Å; W532-V539 HydrophobicContact CE3-CB 3.79Å; W532-V539 HydrophobicContact CE3-CG2 4.24Å; W532-V539 HydrophobicContact CG-CG2 4.2Å; W532-V539 HydrophobicContact CH2-CB 4.11Å; W532-V539 HydrophobicContact CH2-CG1 4.36Å; W532-V539 HydrophobicContact CH2-CG2 4.46Å; W532-V539 HydrophobicContact CZ2-CB 4.22Å; W532-V539 HydrophobicContact CZ2-CG2 4.06Å; W532-V539 HydrophobicContact CZ3-CB 3.9Å; W532-V539 HydrophobicContact CZ3-CG1 4.42Å; V539-M541 HydrophobicContact CG1-CE 4.35Å; V539-M541 HydrophobicContact CG1-CG 4.41Å; V539-M541 HydrophobicContact CG2-CG 3.97Å; V539-C550 HydrophobicContact CG1-CB 3.91Å; V539-C550 PolarHBondContact N-O 3.18Å; V539-C550 PolarHBondContact O-N 3Å; V539-L554 HydrophobicContact CG1-CD2 3.99Å
540	A	96.5	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.2	175	0	0	0	0	0	109.1	V530 I531 L547 L549 W571 F577	V530-A540 CarbonylContact C-O 3.59Å; V530-A540 WeakPolarHBondContact CA-O 3.23Å; I531-A540 PolarHBondContact N-O 3.17Å; I531-A540 PolarHBondContact O-N 2.99Å; A540-L547 HydrophobicContact CB-CD1 4.3Å; A540-L549 HydrophobicContact CB-CD2 3.61Å; A540-W571 HydrophobicContact CB-CZ2 3.74Å; A540-F577 HydrophobicContact CB-CD1 4.06Å; A540-F577 HydrophobicContact CB-CD2 3.52Å; A540-F577 HydrophobicContact CB-CE1 3.83Å; A540-F577 HydrophobicContact CB-CE2 3.29Å; A540-F577 HydrophobicContact CB-CG 3.9Å; A540-F577 HydrophobicContact CB-CZ 3.44Å; A540-F577 VanDerWaalsContact CB-CZ 3.44Å
541	M	95.3	Very high	93.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.7	-178.3	-58.9	-170.3	-76	0	0	109.2	I507 L521 I527 V530 V539 Y548 C550 L554	I507-M541 HydrophobicContact CD1-SD 4.11Å; I507-M541 HydrophobicContact CG2-CE 4.24Å; I507-M541 HydrophobicContact CG2-SD 3.99Å; L521-M541 HydrophobicContact CD2-CE 3.79Å; I527-M541 HydrophobicContact CD1-CB 3.81Å; I527-M541 HydrophobicContact CD1-CE 4.4Å; I527-M541 HydrophobicContact CD1-CG 4.31Å; I527-M541 HydrophobicContact CD1-SD 3.71Å; I527-M541 HydrophobicContact CG1-CB 4.24Å; I527-M541 HydrophobicContact CG2-CB 4.42Å; V530-M541 HydrophobicContact CG1-CG 4.25Å; V530-M541 HydrophobicContact CG2-CG 4.11Å; V530-M541 HydrophobicContact CG2-SD 4.47Å; V539-M541 HydrophobicContact CG1-CE 4.35Å; V539-M541 HydrophobicContact CG1-CG 4.41Å; V539-M541 HydrophobicContact CG2-CG 3.97Å; M541-Y548 PolarHBondContact N-O 2.58Å; M541-Y548 PolarHBondContact O-N 2.67Å; M541-C550 HydrophobicContact CE-CB 4.25Å; M541-C550 VanDerWaalsContact CE-SG 3.51Å; M541-L554 HydrophobicContact CE-CD2 3.94Å; M541-L554 HydrophobicContact SD-CD2 4.42Å
542	F	94.5	Very high	93	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.7	-176.6	65.6	-90.2	0	0	0	114.9	R528 H529 I531 Y546 L547 I566	R528-F542 PolarHBondContact N-O 3.11Å; H529-F542 HydrophobicContact CB-CD1 4.15Å; H529-F542 HydrophobicContact CB-CD2 4.3Å; H529-F542 HydrophobicContact CB-CE1 3.59Å; H529-F542 HydrophobicContact CB-CE2 3.79Å; H529-F542 HydrophobicContact CB-CG 4.47Å; H529-F542 HydrophobicContact CB-CZ 3.39Å; H529-F542 AromaticContact CD2-CE2 3.54Å; H529-F542 AromaticContact CD2-CZ 3.8Å; H529-F542 AromaticContact CG-CE2 3.98Å; H529-F542 AromaticContact CG-CZ 3.81Å; H529-F542 PolarHBondContact N-O 3.42Å; H529-F542 PolarHBondContact O-N 3.28Å; I531-F542 HydrophobicContact CD1-CE1 3.85Å; I531-F542 HydrophobicContact CG1-CE1 4.25Å; F542-Y546 VanDerWaalsContact CA-O 3.3Å; F542-Y546 WeakPolarHBondContact CA-O 3.31Å; F542-Y546 WeakPolarHBondContact CB-O 3.41Å; F542-L547 HydrophobicContact CB-CD1 4.09Å; F542-I566 HydrophobicContact CB-CD1 4.4Å; F542-I566 HydrophobicContact CB-CG2 4.38Å; F542-I566 HydrophobicContact CD2-CB 4.14Å; F542-I566 HydrophobicContact CD2-CG2 3.5Å; F542-I566 HydrophobicContact CE2-CG2 3.86Å; F542-I566 HydrophobicContact CG-CG2 4.02Å
543	T	91.6	Very high	93	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.037	21%	0.214	C	C	.	.			trans	-107.8	-143.6	-170.5	75.5	0	0	0	0	110	K525 Y526 I527 L545 Y546 Y548	K525-T543 HydrophobicContact CB-CG2 4.16Å; K525-T543 WeakPolarHBondContact O-CG2 3.37Å; Y526-T543 WeakPolarHBondContact O-CA 3.49Å; Y526-T543 WeakPolarHBondContact O-CB 3.36Å; Y526-T543 WeakPolarHBondContact O-CG2 3.17Å; I527-T543 HydrophobicContact CG1-CG2 4.46Å; T543-L545 PolarHBondContact OG1-N 2.82Å; T543-Y546 PolarHBondContact N-O 3.49Å; T543-Y546 WeakPolarHBondContact OG1-CB 3.15Å; T543-Y546 PolarHBondContact OG1-N 3.13Å; T543-Y546 PolarHBondContact OG1-O 3.39Å; T543-Y548 HydrophobicContact CG2-CD2 4.45Å; T543-Y548 HydrophobicContact CG2-CE2 3.82Å
544	K	87.3	Confident	93	Very high	80 Å²	80	43.4 Å²	43.4	35%	0.348	21%	0.213	S	C	.	.	S	Bend	trans	-75.3	-39.8	163.9	-177	-166.3	150.5	-171.1	0	111.4	R565 I566	K544-R565 HydrophobicContact CG-CG 3.95Å; K544-R565 VanDerWaalsContact O-CA 3.32Å; K544-R565 WeakPolarHBondContact O-CA 3.49Å; K544-I566 PolarHBondContact O-N 3.21Å
545	L	90.7	Very high	93.2	Very high	37 Å²	37	43.1 Å²	43.1	19%	0.194	20%	0.201	C	C	.	.	S	Bend	trans	-142.8	6.6	-163.7	-62.8	-179.2	0	0	0	114.1	T543 H561 E562 R565	T543-L545 PolarHBondContact OG1-N 2.82Å; L545-H561 PolarHBondContact O-ND1 2.82Å; L545-E562 WeakPolarHBondContact CB-O 3.33Å; L545-E562 WeakPolarHBondContact CD2-O 3.49Å; L545-E562 PolarHBondContact O-N 3.31Å; L545-R565 HydrophobicContact CD2-CG 4.32Å
546	Y	94.2	Very high	93.5	Very high	71 Å²	71	41.7 Å²	41.7	28%	0.278	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.8	178.2	-64.8	-91.9	0	0	0	109.5	K525 F542 T543 T559 V560 H561	K525-Y546 HydrophobicContact CB-CD2 4.25Å; K525-Y546 HydrophobicContact CG-CD2 3.91Å; K525-Y546 HydrophobicContact CG-CE2 3.88Å; F542-Y546 VanDerWaalsContact CA-O 3.3Å; F542-Y546 WeakPolarHBondContact CA-O 3.31Å; F542-Y546 WeakPolarHBondContact CB-O 3.41Å; T543-Y546 PolarHBondContact N-O 3.49Å; T543-Y546 WeakPolarHBondContact OG1-CB 3.15Å; T543-Y546 PolarHBondContact OG1-N 3.13Å; T543-Y546 PolarHBondContact OG1-O 3.39Å; Y546-T559 HydrophobicContact CD1-CG2 4.49Å; Y546-V560 WeakPolarHBondContact CA-O 3.46Å; Y546-H561 HydrophobicContact CD1-CB 4.04Å; Y546-H561 AromaticContact CD1-ND1 3.74Å; Y546-H561 HydrophobicContact CE1-CB 3.84Å; Y546-H561 AromaticContact CE1-CG 3.67Å; Y546-H561 AromaticContact CE1-ND1 3.36Å; Y546-H561 WeakPolarHBondContact CE1-ND1 3.27Å; Y546-H561 AromaticContact CE2-ND1 3.78Å; Y546-H561 AromaticContact CZ-CE1 3.76Å; Y546-H561 AromaticContact CZ-ND1 3.38Å
547	L	95.8	Very high	93.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.3	167.9	169.7	65.8	0	0	0	107.6	A540 F542 L549 T559 V560 I566 F577 Y579 C588	A540-L547 HydrophobicContact CB-CD1 4.3Å; F542-L547 HydrophobicContact CB-CD1 4.09Å; L547-L549 HydrophobicContact CD1-CD2 3.89Å; L547-L549 HydrophobicContact CD2-CD2 4.25Å; L547-L549 HydrophobicContact CG-CD2 4.11Å; L547-T559 CarbonylContact O-C 3.6Å; L547-T559 WeakPolarHBondContact O-CA 3.45Å; L547-V560 HydrophobicContact CB-CB 4.41Å; L547-V560 PolarHBondContact N-O 3.02Å; L547-V560 PolarHBondContact O-N 2.69Å; L547-I566 HydrophobicContact CB-CD1 4.13Å; L547-F577 HydrophobicContact CD1-CD1 3.9Å; L547-F577 HydrophobicContact CD1-CE1 3.63Å; L547-F577 HydrophobicContact CD2-CD1 3.79Å; L547-F577 HydrophobicContact CD2-CE1 4.16Å; L547-F577 HydrophobicContact CG-CD1 4.49Å; L547-Y579 HydrophobicContact CD2-CD1 3.92Å; L547-Y579 HydrophobicContact CD2-CE1 3.88Å; L547-Y579 HydrophobicContact CD2-CG 4.44Å; L547-C588 HydrophobicContact CD2-CB 3.88Å
548	Y	95.5	Very high	93.8	Very high	20 Å²	20	39.6 Å²	39.6	8%	0.078	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.4	170.4	-55	-83.2	0	0	0	107.7	I524 K525 M541 T543 A558 T559	I524-Y548 HydrophobicContact CB-CE2 4.22Å; I524-Y548 HydrophobicContact CG2-CD1 4.46Å; I524-Y548 HydrophobicContact CG2-CE1 4Å; I524-Y548 HydrophobicContact CG2-CE2 4.19Å; K525-Y548 PolarHBondContact N-OH 3.27Å; M541-Y548 PolarHBondContact N-O 2.58Å; M541-Y548 PolarHBondContact O-N 2.67Å; T543-Y548 HydrophobicContact CG2-CD2 4.45Å; T543-Y548 HydrophobicContact CG2-CE2 3.82Å; Y548-A558 WeakPolarHBondContact CA-O 3.46Å; Y548-T559 HydrophobicContact CD1-CG2 3.81Å; Y548-T559 WeakPolarHBondContact CD1-OG1 3.23Å; Y548-T559 HydrophobicContact CE1-CG2 3.7Å
549	L	96.3	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.4	166.1	-55	-174.7	0	0	0	107.6	A540 L547 K557 A558 W571 F577 C588 L590	A540-L549 HydrophobicContact CB-CD2 3.61Å; L547-L549 HydrophobicContact CD1-CD2 3.89Å; L547-L549 HydrophobicContact CD2-CD2 4.25Å; L547-L549 HydrophobicContact CG-CD2 4.11Å; L549-K557 PolarHBondContact O-N 2.91Å; L549-A558 HydrophobicContact CB-CB 4.13Å; L549-A558 HydrophobicContact CD1-CB 4.32Å; L549-A558 HydrophobicContact CG-CB 4.32Å; L549-A558 PolarHBondContact N-O 3.07Å; L549-A558 PolarHBondContact O-N 3.1Å; L549-A558 VanDerWaalsContact O-N 3.15Å; L549-W571 HydrophobicContact CB-CH2 4.48Å; L549-W571 HydrophobicContact CD1-CH2 4.31Å; L549-W571 HydrophobicContact CD2-CH2 3.96Å; L549-W571 HydrophobicContact CD2-CZ2 4.15Å; L549-W571 HydrophobicContact CG-CH2 4.49Å; L549-F577 HydrophobicContact CD1-CB 4.15Å; L549-F577 HydrophobicContact CD2-CB 3.86Å; L549-F577 HydrophobicContact CD2-CD1 3.99Å; L549-F577 HydrophobicContact CD2-CG 3.92Å; L549-C588 HydrophobicContact CD1-CB 4.15Å; L549-L590 HydrophobicContact CB-CD2 4.28Å; L549-L590 HydrophobicContact CD1-CD2 4.25Å
550	C	95	Very high	93.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	163.3	178.2	-50.3	0	0	0	0	110.3	Y538 V539 M541 E555	Y538-C550 CarbonylContact C-O 3.59Å; Y538-C550 WeakPolarHBondContact CA-O 3.22Å; V539-C550 HydrophobicContact CG1-CB 3.91Å; V539-C550 PolarHBondContact N-O 3.18Å; V539-C550 PolarHBondContact O-N 3Å; M541-C550 HydrophobicContact CE-CB 4.25Å; M541-C550 VanDerWaalsContact CE-SG 3.51Å; C550-E555 CarbonylContact C-O 3.54Å; C550-E555 WeakPolarHBondContact CA-O 3.49Å; C550-E555 WeakPolarHBondContact CB-O 3.31Å
551	D	94.2	Very high	93.5	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	180	163.5	66.7	19.5	0	0	0	112.2	Q537 Y538 H553 L554 E555 K557	Q537-D551 CarbonylContact O-C 3.34Å; Q537-D551 WeakPolarHBondContact O-CA 3.49Å; Y538-D551 HydrophobicContact CD1-CB 4.26Å; Y538-D551 HydrophobicContact CE1-CB 4.39Å; D551-H553 PolarHBondContact O-N 3.4Å; D551-H553 VanDerWaalsContact O-N 3.11Å; D551-H553 WeakPolarHBondContact OD1-CA 3.43Å; D551-H553 WeakPolarHBondContact OD1-CB 3.44Å; D551-H553 PolarHBondContact OD1-N 3.29Å; D551-L554 PolarHBondContact O-N 3.43Å; D551-L554 PolarHBondContact OD1-N 2.84Å; D551-L554 VanDerWaalsContact OD1-N 3.14Å; D551-E555 PolarHBondContact N-O 3.14Å; D551-E555 VanDerWaalsContact N-O 3.09Å; D551-E555 PolarHBondContact OD1-N 2.91Å; D551-K557 VanDerWaalsContact CG-CE 3.48Å; D551-K557 WeakPolarHBondContact OD2-CE 3.4Å; D551-K557 IonicContact OD2-NZ 3.55Å; D551-K557 PolarHBondContact OD2-NZ 3.44Å
552	R	91.8	Very high	93.3	Very high	150 Å²	150	45.1 Å²	45.1	57%	0.566	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-14.7	175.2	70.9	-176.2	-61	-165.2	1.7	115.4	L509 W532 Q537	L509-R552 WeakPolarHBondContact CD2-O 3.48Å; W532-R552 HydrophobicContact CZ3-CB 4.29Å; Q537-R552 PolarHBondContact O-N 2.93Å
553	H	91.9	Very high	92.7	Very high	113 Å²	113	50 Å²	50	52%	0.523	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-1	176.9	-61.4	-71.3	0	0	0	112.4	S519 D551	S519-H553 WeakPolarHBondContact CB-O 3.39Å; S519-H553 PolarHBondContact OG-O 2.95Å; D551-H553 PolarHBondContact O-N 3.4Å; D551-H553 VanDerWaalsContact O-N 3.11Å; D551-H553 WeakPolarHBondContact OD1-CA 3.43Å; D551-H553 WeakPolarHBondContact OD1-CB 3.44Å; D551-H553 PolarHBondContact OD1-N 3.29Å
554	L	93	Very high	92.4	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	24%	0.243	C	C	.	.			trans	71.4	20.9	-173.7	-51.5	-179.7	0	0	0	114.9	L500 I507 L509 L521 V539 M541 D551 V556	L500-L554 HydrophobicContact CD2-CD1 3.82Å; L500-L554 HydrophobicContact CD2-CD2 3.92Å; L500-L554 HydrophobicContact CD2-CG 4.41Å; I507-L554 HydrophobicContact CG2-CD1 4.47Å; L509-L554 HydrophobicContact CB-CD1 4.03Å; L509-L554 HydrophobicContact CB-CG 4.47Å; L521-L554 HydrophobicContact CB-CB 4.23Å; L521-L554 HydrophobicContact CB-CD1 4.4Å; V539-L554 HydrophobicContact CG1-CD2 3.99Å; M541-L554 HydrophobicContact CE-CD2 3.94Å; M541-L554 HydrophobicContact SD-CD2 4.42Å; D551-L554 PolarHBondContact O-N 3.43Å; D551-L554 PolarHBondContact OD1-N 2.84Å; D551-L554 VanDerWaalsContact OD1-N 3.14Å; L554-V556 PolarHBondContact O-N 3Å
555	E	93.2	Very high	92.3	Very high	116 Å²	116	49.1 Å²	49.1	54%	0.542	24%	0.236	S	C	.	.			trans	-71.7	124.2	166.1	-63.7	-171.8	-178.7	0	0	110.1	C550 D551 K557	C550-E555 CarbonylContact C-O 3.54Å; C550-E555 WeakPolarHBondContact CA-O 3.49Å; C550-E555 WeakPolarHBondContact CB-O 3.31Å; D551-E555 PolarHBondContact N-O 3.14Å; D551-E555 VanDerWaalsContact N-O 3.09Å; D551-E555 PolarHBondContact OD1-N 2.91Å; E555-K557 PolarHBondContact O-N 3.32Å; E555-K557 IonicContact OE2-NZ 3.7Å; E555-K557 PolarHBondContact OE2-NZ 3.43Å
556	V	94.2	Very high	92.4	Very high	62 Å²	62	48 Å²	48	38%	0.376	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	114	178.5	-178.3	0	0	0	0	109.6	L521 L554 T559	L521-V556 HydrophobicContact CD1-CG2 3.68Å; L521-V556 HydrophobicContact CD2-CG2 3.88Å; L521-V556 HydrophobicContact CG-CG2 4.45Å; L554-V556 PolarHBondContact O-N 3Å; V556-T559 WeakPolarHBondContact CG1-OG1 3.24Å
557	K	94.1	Very high	92.3	Very high	80 Å²	80	46.3 Å²	46.3	35%	0.348	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-36.1	173.3	-47.2	-57.2	176.2	177.8	0	111.3	L549 D551 E555 L590	L549-K557 PolarHBondContact O-N 2.91Å; D551-K557 VanDerWaalsContact CG-CE 3.48Å; D551-K557 WeakPolarHBondContact OD2-CE 3.4Å; D551-K557 IonicContact OD2-NZ 3.55Å; D551-K557 PolarHBondContact OD2-NZ 3.44Å; E555-K557 PolarHBondContact O-N 3.32Å; E555-K557 IonicContact OE2-NZ 3.7Å; E555-K557 PolarHBondContact OE2-NZ 3.43Å; K557-L590 CarbonylContact C-O 3.48Å; K557-L590 VanDerWaalsContact C-O 3.3Å; K557-L590 WeakPolarHBondContact CB-O 3.43Å
558	A	93.7	Very high	92.2	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	146.5	174.7	0	0	0	0	0	113	Y548 L549	Y548-A558 WeakPolarHBondContact CA-O 3.46Å; L549-A558 HydrophobicContact CB-CB 4.13Å; L549-A558 HydrophobicContact CD1-CB 4.32Å; L549-A558 HydrophobicContact CG-CB 4.32Å; L549-A558 PolarHBondContact N-O 3.07Å; L549-A558 PolarHBondContact O-N 3.1Å; L549-A558 VanDerWaalsContact O-N 3.15Å
559	T	94.5	Very high	92.2	Very high	74 Å²	74	45.5 Å²	45.5	45%	0.454	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.3	166	-62.4	0	0	0	0	109.7	Y546 L547 Y548 V556	Y546-T559 HydrophobicContact CD1-CG2 4.49Å; L547-T559 CarbonylContact O-C 3.6Å; L547-T559 WeakPolarHBondContact O-CA 3.45Å; Y548-T559 HydrophobicContact CD1-CG2 3.81Å; Y548-T559 WeakPolarHBondContact CD1-OG1 3.23Å; Y548-T559 HydrophobicContact CE1-CG2 3.7Å; V556-T559 WeakPolarHBondContact CG1-OG1 3.24Å
560	V	93.5	Very high	92.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.2	176	179.1	0	0	0	0	109.8	Y546 L547 C588 Y594	Y546-V560 WeakPolarHBondContact CA-O 3.46Å; L547-V560 HydrophobicContact CB-CB 4.41Å; L547-V560 PolarHBondContact N-O 3.02Å; L547-V560 PolarHBondContact O-N 2.69Å; V560-C588 HydrophobicContact CG2-CB 4.43Å; V560-C588 VanDerWaalsContact CG2-SG 3.51Å; V560-Y594 HydrophobicContact CG1-CD1 3.9Å; V560-Y594 HydrophobicContact CG1-CD2 4.33Å; V560-Y594 HydrophobicContact CG1-CE1 4.06Å; V560-Y594 HydrophobicContact CG1-CE2 4.47Å; V560-Y594 HydrophobicContact CG1-CG 4.05Å; V560-Y594 HydrophobicContact CG2-CD1 3.78Å; V560-Y594 HydrophobicContact CG2-CE1 4.42Å; V560-Y594 HydrophobicContact CG2-CG 4.27Å
561	H	93.5	Very high	92.1	Very high	97 Å²	97	46.6 Å²	46.6	45%	0.449	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.1	171.8	-176.8	43.6	0	0	0	110.8	L545 Y546	L545-H561 PolarHBondContact O-ND1 2.82Å; Y546-H561 HydrophobicContact CD1-CB 4.04Å; Y546-H561 AromaticContact CD1-ND1 3.74Å; Y546-H561 HydrophobicContact CE1-CB 3.84Å; Y546-H561 AromaticContact CE1-CG 3.67Å; Y546-H561 AromaticContact CE1-ND1 3.36Å; Y546-H561 WeakPolarHBondContact CE1-ND1 3.27Å; Y546-H561 AromaticContact CE2-ND1 3.78Å; Y546-H561 AromaticContact CZ-CE1 3.76Å; Y546-H561 AromaticContact CZ-ND1 3.38Å
562	E	90.6	Very high	92	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.023	22%	0.224	C	C	.	.			trans	-111	135.5	178.2	-81.3	-66.5	135.8	0	0	111.1	L545 I566 Y579 T581 K586	L545-E562 WeakPolarHBondContact CB-O 3.33Å; L545-E562 WeakPolarHBondContact CD2-O 3.49Å; L545-E562 PolarHBondContact O-N 3.31Å; E562-I566 HydrophobicContact CB-CD1 4.33Å; E562-I566 HydrophobicContact CB-CG1 4.14Å; E562-I566 HydrophobicContact CG-CD1 4.16Å; E562-I566 HydrophobicContact CG-CG1 4.06Å; E562-Y579 HydrophobicContact CG-CE2 4.11Å; E562-Y579 PolarHBondContact OE1-OH 3.29Å; E562-T581 HydrophobicContact CG-CG2 4.38Å; E562-T581 WeakPolarHBondContact OE2-CG2 3.15Å; E562-K586 WeakPolarHBondContact OE1-CD 3.41Å; E562-K586 IonicContact OE1-NZ 3.46Å; E562-K586 PolarHBondContact OE1-NZ 3.13Å; E562-K586 IonicContact OE2-NZ 3.42Å; E562-K586 PolarHBondContact OE2-NZ 3.15Å
563	T	82.8	Confident	91.7	Very high	105 Å²	105	44.1 Å²	44.1	64%	0.644	22%	0.222	S	C	*	.	S	Bend	trans	-72.2	-31.9	169.7	54.8	0	0	0	0	111.8
564	V	84.1	Confident	91.5	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.073	22%	0.22	C	C	.	.	S	Bend	trans	-101.3	133.7	-176.8	179.9	0	0	0	0	110.9	I566 S582	V564-I566 PolarHBondContact O-N 3.01Å; V564-I566 VanDerWaalsContact O-N 3.15Å; V564-S582 VanDerWaalsContact CG1-CB 3.44Å; V564-S582 WeakPolarHBondContact CG1-OG 3.35Å
565	R	85.5	Confident	91.2	Very high	54 Å²	54	44.4 Å²	44.4	20%	0.204	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-52.5	118.6	-176.6	-59.1	-172.5	-178.2	-144.8	-2.3	113.6	S5 K6 K544 L545 K567 S582	S5-R565 PolarHBondContact O-NH2 3.26Å; K6-R565 VanDerWaalsContact C-NH2 3.31Å; K6-R565 PolarHBondContact O-NH2 2.78Å; K544-R565 HydrophobicContact CG-CG 3.95Å; K544-R565 VanDerWaalsContact O-CA 3.32Å; K544-R565 WeakPolarHBondContact O-CA 3.49Å; L545-R565 HydrophobicContact CD2-CG 4.32Å; R565-K567 WeakPolarHBondContact O-CE 3.39Å; R565-K567 PolarHBondContact O-NZ 2.88Å; R565-S582 PolarHBondContact O-N 2.86Å; R565-S582 PolarHBondContact O-OG 2.97Å
566	I	92.5	Very high	91.2	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.072	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-62.7	147.4	173.2	-55.9	171.4	0	0	0	110.1	F542 K544 L547 E562 V564 Y579	F542-I566 HydrophobicContact CB-CD1 4.4Å; F542-I566 HydrophobicContact CB-CG2 4.38Å; F542-I566 HydrophobicContact CD2-CB 4.14Å; F542-I566 HydrophobicContact CD2-CG2 3.5Å; F542-I566 HydrophobicContact CE2-CG2 3.86Å; F542-I566 HydrophobicContact CG-CG2 4.02Å; K544-I566 PolarHBondContact O-N 3.21Å; L547-I566 HydrophobicContact CB-CD1 4.13Å; E562-I566 HydrophobicContact CB-CD1 4.33Å; E562-I566 HydrophobicContact CB-CG1 4.14Å; E562-I566 HydrophobicContact CG-CD1 4.16Å; E562-I566 HydrophobicContact CG-CG1 4.06Å; V564-I566 PolarHBondContact O-N 3.01Å; V564-I566 VanDerWaalsContact O-N 3.15Å; I566-Y579 HydrophobicContact CG2-CD2 4.32Å
567	K	92.2	Very high	91.3	Very high	35 Å²	35	36 Å²	36	15%	0.152	19%	0.186	C	C	.	.			trans	-118.7	-60.5	-175.6	-51.1	-60.6	176.9	-163.9	0	112.7	R344 R565 T580 T581 S582 P603 Y605	R344-K567 PolarHBondContact NH1-O 3.11Å; R565-K567 WeakPolarHBondContact O-CE 3.39Å; R565-K567 PolarHBondContact O-NZ 2.88Å; K567-T580 PolarHBondContact N-O 2.76Å; K567-T581 WeakPolarHBondContact CG-O 3.43Å; K567-S582 VanDerWaalsContact CE-CA 3.5Å; K567-S582 WeakPolarHBondContact CE-OG 3.27Å; K567-S582 PolarHBondContact NZ-OG 3.29Å; K567-P603 HydrophobicContact CD-CB 4.24Å; K567-P603 HydrophobicContact CG-CB 4.19Å; K567-Y605 HydrophobicContact CB-CD1 3.97Å; K567-Y605 HydrophobicContact CB-CE1 3.98Å
568	S	94.2	Very high	91.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	174.7	-176.7	-148	0	0	0	0	109.6	R344 Y579 T580 I606	R344-S568 PolarHBondContact NH2-OG 3.38Å; S568-Y579 CarbonylContact O-C 3.51Å; S568-Y579 VanDerWaalsContact O-CA 3.25Å; S568-Y579 WeakPolarHBondContact O-CA 3.33Å; S568-Y579 WeakPolarHBondContact O-CB 3.38Å; S568-T580 PolarHBondContact N-OG1 3.19Å; S568-T580 PolarHBondContact O-N 2.88Å; S568-I606 PolarHBondContact OG-O 3.16Å
569	G	95	Very high	91.5	Very high	3 Å²	3	32 Å²	32	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	177	165	0	0	0	0	0	111	I531 V578	I531-G569 WeakPolarHBondContact CD1-O 3.4Å; G569-V578 CarbonylContact C-O 3.59Å; G569-V578 WeakPolarHBondContact CA-O 3.47Å
570	A	95.4	Very high	91.5	Very high	9 Å²	9	28.5 Å²	28.5	7%	0.074	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.5	168.2	0	0	0	0	0	108.8	V578 I606 V609	A570-V578 PolarHBondContact N-O 3.41Å; A570-V578 PolarHBondContact O-N 2.98Å; A570-I606 HydrophobicContact CB-CG2 3.7Å; A570-V609 HydrophobicContact CB-CG2 4.35Å
571	W	94.8	Very high	91.5	Very high	15 Å²	15	28.4 Å²	28.4	6%	0.057	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	139.8	171.9	-63.8	90.8	0	0	0	110.2	I531 W532 S533 Y538 A540 L549 G575 F577 L590	I531-W571 PolarHBondContact O-NE1 3.21Å; W532-W571 VanDerWaalsContact C-CD1 3.42Å; S533-W571 VanDerWaalsContact CA-CD1 3.47Å; Y538-W571 HydrophobicContact CG-CH2 4.37Å; A540-W571 HydrophobicContact CB-CZ2 3.74Å; L549-W571 HydrophobicContact CB-CH2 4.48Å; L549-W571 HydrophobicContact CD1-CH2 4.31Å; L549-W571 HydrophobicContact CD2-CH2 3.96Å; L549-W571 HydrophobicContact CD2-CZ2 4.15Å; L549-W571 HydrophobicContact CG-CH2 4.49Å; W571-G575 WeakPolarHBondContact CZ3-O 3.36Å; W571-F577 AromaticContact CD1-CD2 3.9Å; W571-F577 HydrophobicContact CD2-CB 4.27Å; W571-F577 AromaticContact CD2-CD2 3.74Å; W571-F577 HydrophobicContact CD2-CD2 3.74Å; W571-F577 HydrophobicContact CD2-CG 4.47Å; W571-F577 AromaticContact CE2-CD2 3.71Å; W571-F577 HydrophobicContact CE3-CB 3.96Å; W571-F577 HydrophobicContact CE3-CD2 4.3Å; W571-F577 AromaticContact CG-CD2 3.91Å; W571-F577 HydrophobicContact CG-CD2 3.91Å; W571-F577 HydrophobicContact CH2-CB 4.33Å; W571-F577 HydrophobicContact CZ2-CD2 4.28Å; W571-F577 HydrophobicContact CZ3-CB 3.99Å; W571-F577 AromaticContact NE1-CD2 3.77Å; W571-L590 HydrophobicContact CH2-CD2 3.94Å; W571-L590 HydrophobicContact CZ3-CD2 4.07Å
572	E	91.8	Very high	91	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.019	13%	0.127	C	C	.	.			trans	-89.1	163.2	164.5	-171.4	-94.2	-175.2	0	0	109.7	H574 G575 V576 V578 V609 R634	E572-H574 PolarHBondContact O-N 3.17Å; E572-H574 VanDerWaalsContact O-N 3.12Å; E572-H574 IonicContact OE1-CE1 3.72Å; E572-H574 IonicContact OE1-ND1 3.78Å; E572-H574 PolarHBondContact OE1-ND1 3.42Å; E572-H574 WeakPolarHBondContact OE2-CB 3.4Å; E572-H574 IonicContact OE2-CG 3.97Å; E572-H574 PolarHBondContact OE2-N 3.44Å; E572-H574 IonicContact OE2-ND1 3.58Å; E572-H574 PolarHBondContact OE2-ND1 3.29Å; E572-H574 VanDerWaalsContact OE2-ND1 3.08Å; E572-G575 PolarHBondContact O-N 3.3Å; E572-G575 VanDerWaalsContact O-N 3.16Å; E572-V576 HydrophobicContact CB-CB 4.35Å; E572-V576 PolarHBondContact N-O 2.94Å; E572-V578 HydrophobicContact CB-CG2 4.42Å; E572-V609 HydrophobicContact CB-CB 4.34Å; E572-V609 HydrophobicContact CB-CG1 4.04Å; E572-V609 HydrophobicContact CG-CG1 3.88Å; E572-R634 IonicContact OE1-NH2 3.6Å; E572-R634 PolarHBondContact OE1-NH2 3.44Å
573	E	86.3	Confident	90.7	Very high	113 Å²	113	25.7 Å²	25.7	53%	0.528	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24	-169.5	-70.1	152.7	-159.3	0	0	114.5	R610 G611	E573-R610 WeakPolarHBondContact OE1-CA 3.39Å; E573-R610 WeakPolarHBondContact OE1-CG 3.21Å; E573-G611 PolarHBondContact OE1-N 3.23Å
574	H	85.8	Confident	91.1	Very high	103 Å²	103	22.7 Å²	22.7	48%	0.477	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	19.4	-178.3	-52.8	84.5	0	0	0	113.5	E572 L637	E572-H574 PolarHBondContact O-N 3.17Å; E572-H574 VanDerWaalsContact O-N 3.12Å; E572-H574 IonicContact OE1-CE1 3.72Å; E572-H574 IonicContact OE1-ND1 3.78Å; E572-H574 PolarHBondContact OE1-ND1 3.42Å; E572-H574 WeakPolarHBondContact OE2-CB 3.4Å; E572-H574 IonicContact OE2-CG 3.97Å; E572-H574 PolarHBondContact OE2-N 3.44Å; E572-H574 IonicContact OE2-ND1 3.58Å; E572-H574 PolarHBondContact OE2-ND1 3.29Å; E572-H574 VanDerWaalsContact OE2-ND1 3.08Å; H574-L637 HydrophobicContact CB-CD2 3.95Å
575	G	86.9	Confident	91.6	Very high	23 Å²	23	22.1 Å²	22.1	24%	0.237	11%	0.111	C	C	.	.	S	Bend	trans	80	16.6	177.9	0	0	0	0	0	114.8	W571 E572	W571-G575 WeakPolarHBondContact CZ3-O 3.36Å; E572-G575 PolarHBondContact O-N 3.3Å; E572-G575 VanDerWaalsContact O-N 3.16Å
576	V	93	Very high	92.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.106	C	C	.	.			trans	-87.5	128.9	175	-178.1	0	0	0	0	109.8	E572 V578 L589 F633 L637	E572-V576 HydrophobicContact CB-CB 4.35Å; E572-V576 PolarHBondContact N-O 2.94Å; V576-V578 HydrophobicContact CG1-CG2 4.41Å; V576-L589 HydrophobicContact CB-CD2 4.26Å; V576-L589 HydrophobicContact CG1-CD2 3.93Å; V576-L589 HydrophobicContact CG2-CD2 3.64Å; V576-F633 HydrophobicContact CB-CD2 4.32Å; V576-F633 HydrophobicContact CB-CE2 4.29Å; V576-F633 HydrophobicContact CG1-CD2 3.94Å; V576-F633 HydrophobicContact CG1-CE2 4.17Å; V576-F633 HydrophobicContact CG1-CG 4.23Å; V576-F633 HydrophobicContact CG2-CD2 3.83Å; V576-F633 HydrophobicContact CG2-CE2 4.02Å; V576-L637 HydrophobicContact CG2-CD2 4.03Å
577	F	96.6	Very high	92.2	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	111.5	175.5	-170.8	-107.4	0	0	0	111.3	I531 A540 L547 L549 W571 Y579 Y587 C588	I531-F577 HydrophobicContact CB-CE2 4.33Å; I531-F577 HydrophobicContact CD1-CZ 4.47Å; I531-F577 HydrophobicContact CG2-CE2 4.37Å; A540-F577 HydrophobicContact CB-CD1 4.06Å; A540-F577 HydrophobicContact CB-CD2 3.52Å; A540-F577 HydrophobicContact CB-CE1 3.83Å; A540-F577 HydrophobicContact CB-CE2 3.29Å; A540-F577 HydrophobicContact CB-CG 3.9Å; A540-F577 HydrophobicContact CB-CZ 3.44Å; A540-F577 VanDerWaalsContact CB-CZ 3.44Å; L547-F577 HydrophobicContact CD1-CD1 3.9Å; L547-F577 HydrophobicContact CD1-CE1 3.63Å; L547-F577 HydrophobicContact CD2-CD1 3.79Å; L547-F577 HydrophobicContact CD2-CE1 4.16Å; L547-F577 HydrophobicContact CG-CD1 4.49Å; L549-F577 HydrophobicContact CD1-CB 4.15Å; L549-F577 HydrophobicContact CD2-CB 3.86Å; L549-F577 HydrophobicContact CD2-CD1 3.99Å; L549-F577 HydrophobicContact CD2-CG 3.92Å; W571-F577 AromaticContact CD1-CD2 3.9Å; W571-F577 HydrophobicContact CD2-CB 4.27Å; W571-F577 AromaticContact CD2-CD2 3.74Å; W571-F577 HydrophobicContact CD2-CD2 3.74Å; W571-F577 HydrophobicContact CD2-CG 4.47Å; W571-F577 AromaticContact CE2-CD2 3.71Å; W571-F577 HydrophobicContact CE3-CB 3.96Å; W571-F577 HydrophobicContact CE3-CD2 4.3Å; W571-F577 AromaticContact CG-CD2 3.91Å; W571-F577 HydrophobicContact CG-CD2 3.91Å; W571-F577 HydrophobicContact CH2-CB 4.33Å; W571-F577 HydrophobicContact CZ2-CD2 4.28Å; W571-F577 HydrophobicContact CZ3-CB 3.99Å; W571-F577 AromaticContact NE1-CD2 3.77Å; F577-Y579 HydrophobicContact CD1-CD1 4.15Å; F577-Y579 HydrophobicContact CE1-CD1 4.49Å; F577-Y579 HydrophobicContact CE1-CG 4.44Å; F577-Y587 CarbonylContact O-C 3.54Å; F577-Y587 WeakPolarHBondContact O-CA 2.93Å; F577-C588 PolarHBondContact N-O 3.42Å; F577-C588 PolarHBondContact O-N 3.23Å
578	V	96.1	Very high	92.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.4	178.6	-172.9	0	0	0	0	109.2	G569 A570 E572 V576 I585 K586 I597 I606 V609	G569-V578 CarbonylContact C-O 3.59Å; G569-V578 WeakPolarHBondContact CA-O 3.47Å; A570-V578 PolarHBondContact N-O 3.41Å; A570-V578 PolarHBondContact O-N 2.98Å; E572-V578 HydrophobicContact CB-CG2 4.42Å; V576-V578 HydrophobicContact CG1-CG2 4.41Å; V578-I585 HydrophobicContact CG1-CG2 3.62Å; V578-K586 CarbonylContact C-O 3.58Å; V578-K586 WeakPolarHBondContact CA-O 3.26Å; V578-K586 WeakPolarHBondContact CG1-O 3.36Å; V578-I597 HydrophobicContact CG1-CD1 3.86Å; V578-I606 HydrophobicContact CB-CD1 4.38Å; V578-I606 HydrophobicContact CG1-CD1 3.79Å; V578-V609 HydrophobicContact CB-CG2 3.99Å; V578-V609 HydrophobicContact CG1-CG2 4.42Å; V578-V609 HydrophobicContact CG2-CG2 4.19Å
579	Y	96.5	Very high	92.3	Very high	1 Å²	1	18.5 Å²	18.5	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.6	-174.4	67.3	-82.7	0	0	0	113.7	L547 E562 I566 S568 F577 T581 K586 C588	L547-Y579 HydrophobicContact CD2-CD1 3.92Å; L547-Y579 HydrophobicContact CD2-CE1 3.88Å; L547-Y579 HydrophobicContact CD2-CG 4.44Å; E562-Y579 HydrophobicContact CG-CE2 4.11Å; E562-Y579 PolarHBondContact OE1-OH 3.29Å; I566-Y579 HydrophobicContact CG2-CD2 4.32Å; S568-Y579 CarbonylContact O-C 3.51Å; S568-Y579 VanDerWaalsContact O-CA 3.25Å; S568-Y579 WeakPolarHBondContact O-CA 3.33Å; S568-Y579 WeakPolarHBondContact O-CB 3.38Å; F577-Y579 HydrophobicContact CD1-CD1 4.15Å; F577-Y579 HydrophobicContact CE1-CD1 4.49Å; F577-Y579 HydrophobicContact CE1-CG 4.44Å; Y579-T581 HydrophobicContact CD2-CG2 4.48Å; Y579-T581 HydrophobicContact CE2-CG2 4.17Å; Y579-K586 HydrophobicContact CD1-CB 4.17Å; Y579-K586 HydrophobicContact CD2-CB 4.24Å; Y579-K586 HydrophobicContact CE1-CB 3.68Å; Y579-K586 HydrophobicContact CE2-CB 3.77Å; Y579-K586 HydrophobicContact CE2-CD 3.93Å; Y579-K586 HydrophobicContact CE2-CG 4.39Å; Y579-K586 HydrophobicContact CG-CB 4.42Å; Y579-K586 VanDerWaalsContact CZ-CB 3.47Å; Y579-K586 PolarHBondContact N-O 2.93Å; Y579-K586 PolarHBondContact O-N 2.86Å; Y579-K586 WeakPolarHBondContact OH-CD 3Å; Y579-C588 HydrophobicContact CE1-CB 3.96Å
580	T	95.1	Very high	92.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.6	174.2	43.9	0	0	0	0	112.5	K567 S568 H584 I585 L600 V604 I606	K567-T580 PolarHBondContact N-O 2.76Å; S568-T580 PolarHBondContact N-OG1 3.19Å; S568-T580 PolarHBondContact O-N 2.88Å; T580-H584 WeakPolarHBondContact CA-O 3.31Å; T580-I585 HydrophobicContact CG2-CG1 4Å; T580-L600 HydrophobicContact CG2-CD1 3.89Å; T580-V604 WeakPolarHBondContact CB-O 3.21Å; T580-V604 HydrophobicContact CG2-CG2 4.11Å; T580-V604 PolarHBondContact OG1-O 2.88Å; T580-I606 HydrophobicContact CG2-CD1 3.98Å; T580-I606 HydrophobicContact CG2-CG1 3.75Å
581	T	92.3	Very high	91.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.			trans	-92.4	-162.9	162.9	66.1	0	0	0	0	109.5	E562 K567 Y579 N583 H584 K586	E562-T581 HydrophobicContact CG-CG2 4.38Å; E562-T581 WeakPolarHBondContact OE2-CG2 3.15Å; K567-T581 WeakPolarHBondContact CG-O 3.43Å; Y579-T581 HydrophobicContact CD2-CG2 4.48Å; Y579-T581 HydrophobicContact CE2-CG2 4.17Å; T581-N583 VanDerWaalsContact C-N 3.29Å; T581-N583 PolarHBondContact OG1-N 2.81Å; T581-H584 PolarHBondContact N-O 3.38Å; T581-H584 PolarHBondContact OG1-N 3.18Å; T581-H584 PolarHBondContact OG1-O 3.02Å; T581-H584 VanDerWaalsContact OG1-O 3.13Å; T581-K586 HydrophobicContact CG2-CD 4Å
582	S	84	Confident	91.6	Very high	8 Å²	8	24 Å²	24	6%	0.056	13%	0.129	C	C	.	.	S	Bend	trans	-74.8	-18.7	169.8	-47.6	0	0	0	0	113.5	R41 V564 R565 K567 P603	R41-S582 PolarHBondContact NH1-O 3.49Å; V564-S582 VanDerWaalsContact CG1-CB 3.44Å; V564-S582 WeakPolarHBondContact CG1-OG 3.35Å; R565-S582 PolarHBondContact O-N 2.86Å; R565-S582 PolarHBondContact O-OG 2.97Å; K567-S582 VanDerWaalsContact CE-CA 3.5Å; K567-S582 WeakPolarHBondContact CE-OG 3.27Å; K567-S582 PolarHBondContact NZ-OG 3.29Å; S582-P603 WeakPolarHBondContact O-CG 3.24Å
583	N	84.3	Confident	91.5	Very high	37 Å²	37	25 Å²	25	20%	0.198	14%	0.135	C	C	.	.	S	Bend	trans	-132.2	-11.2	-165.6	-62.7	-0.8	0	0	0	113.4	R41 T581 T599 L600	R41-N583 WeakPolarHBondContact CD-OD1 3.5Å; R41-N583 PolarHBondContact NH1-OD1 2.77Å; T581-N583 VanDerWaalsContact C-N 3.29Å; T581-N583 PolarHBondContact OG1-N 2.81Å; N583-T599 CarbonylContact O-C 3.57Å; N583-T599 WeakPolarHBondContact O-CA 3.47Å; N583-L600 PolarHBondContact O-N 3.43Å
584	H	91.5	Very high	91.8	Very high	43 Å²	43	25.3 Å²	25.3	20%	0.199	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	149	-174.8	-49.6	-80.6	0	0	0	112.4	T580 T581 K586 I596 R598 T599	T580-H584 WeakPolarHBondContact CA-O 3.31Å; T581-H584 PolarHBondContact N-O 3.38Å; T581-H584 PolarHBondContact OG1-N 3.18Å; T581-H584 PolarHBondContact OG1-O 3.02Å; T581-H584 VanDerWaalsContact OG1-O 3.13Å; H584-K586 HydrophobicContact CB-CG 4.22Å; H584-I596 HydrophobicContact CB-CG2 4.13Å; H584-R598 CarbonylContact C-O 3.5Å; H584-R598 VanDerWaalsContact CA-O 3.25Å; H584-R598 WeakPolarHBondContact CA-O 3.38Å; H584-T599 PolarHBondContact CE1-OG1 3.14Å; H584-T599 PolarHBondContact ND1-OG1 3.14Å
585	I	94.6	Very high	92	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.4	152.8	-50.8	-178.5	0	0	0	107.3	V578 T580 I597 R598 L600 I606 F626 I628	V578-I585 HydrophobicContact CG1-CG2 3.62Å; T580-I585 HydrophobicContact CG2-CG1 4Å; I585-I597 HydrophobicContact CB-CB 4.45Å; I585-I597 HydrophobicContact CG2-CB 4.33Å; I585-I597 HydrophobicContact CG2-CD1 4.04Å; I585-I597 HydrophobicContact CG2-CG1 4.5Å; I585-I597 PolarHBondContact O-N 3.39Å; I585-R598 HydrophobicContact CB-CB 4.34Å; I585-R598 HydrophobicContact CD1-CB 4.26Å; I585-R598 HydrophobicContact CG1-CB 4.39Å; I585-R598 PolarHBondContact N-O 3.42Å; I585-R598 PolarHBondContact O-N 3.45Å; I585-L600 HydrophobicContact CD1-CD2 4.36Å; I585-L600 HydrophobicContact CG1-CD1 3.84Å; I585-L600 HydrophobicContact CG1-CD2 4.12Å; I585-L600 HydrophobicContact CG1-CG 4.1Å; I585-I606 HydrophobicContact CG2-CD1 4.35Å; I585-F626 HydrophobicContact CD1-CB 4.38Å; I585-I628 HydrophobicContact CD1-CG2 4.46Å
586	K	94.9	Very high	92.2	Very high	23 Å²	23	23.9 Å²	23.9	10%	0.1	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.9	179.3	-72	-171.9	165.5	-179.7	0	110.4	E562 V578 Y579 T581 H584 G595 I596	E562-K586 WeakPolarHBondContact OE1-CD 3.41Å; E562-K586 IonicContact OE1-NZ 3.46Å; E562-K586 PolarHBondContact OE1-NZ 3.13Å; E562-K586 IonicContact OE2-NZ 3.42Å; E562-K586 PolarHBondContact OE2-NZ 3.15Å; V578-K586 CarbonylContact C-O 3.58Å; V578-K586 WeakPolarHBondContact CA-O 3.26Å; V578-K586 WeakPolarHBondContact CG1-O 3.36Å; Y579-K586 HydrophobicContact CD1-CB 4.17Å; Y579-K586 HydrophobicContact CD2-CB 4.24Å; Y579-K586 HydrophobicContact CE1-CB 3.68Å; Y579-K586 HydrophobicContact CE2-CB 3.77Å; Y579-K586 HydrophobicContact CE2-CD 3.93Å; Y579-K586 HydrophobicContact CE2-CG 4.39Å; Y579-K586 HydrophobicContact CG-CB 4.42Å; Y579-K586 VanDerWaalsContact CZ-CB 3.47Å; Y579-K586 PolarHBondContact N-O 2.93Å; Y579-K586 PolarHBondContact O-N 2.86Å; Y579-K586 WeakPolarHBondContact OH-CD 3Å; T581-K586 HydrophobicContact CG2-CD 4Å; H584-K586 HydrophobicContact CB-CG 4.22Å; K586-G595 WeakPolarHBondContact CA-O 3.47Å; K586-G595 WeakPolarHBondContact CB-O 3.41Å; K586-G595 WeakPolarHBondContact CG-O 3.35Å; K586-I596 HydrophobicContact CD-CG1 4.32Å; K586-I596 HydrophobicContact CG-CG1 4Å
587	Y	94.9	Very high	92	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	160.4	166.2	68.7	-88.5	0	0	0	110.9	F577 L589 Y594 G595 I597 E632 F633 K636	F577-Y587 CarbonylContact O-C 3.54Å; F577-Y587 WeakPolarHBondContact O-CA 2.93Å; Y587-L589 HydrophobicContact CD2-CD2 4.35Å; Y587-L589 HydrophobicContact CD2-CG 4.14Å; Y587-L589 HydrophobicContact CE2-CD1 4.43Å; Y587-L589 HydrophobicContact CE2-CG 4.15Å; Y587-Y594 VanDerWaalsContact O-CA 3.29Å; Y587-Y594 WeakPolarHBondContact O-CA 3.39Å; Y587-Y594 WeakPolarHBondContact O-CB 3.49Å; Y587-G595 PolarHBondContact N-O 3.15Å; Y587-G595 VanDerWaalsContact N-O 3.12Å; Y587-G595 PolarHBondContact O-N 3.15Å; Y587-I597 HydrophobicContact CD1-CD1 4.39Å; Y587-I597 HydrophobicContact CD1-CG1 3.88Å; Y587-E632 WeakPolarHBondContact CE1-OE2 3.27Å; Y587-E632 VanDerWaalsContact OH-CD 3.24Å; Y587-E632 PolarHBondContact OH-OE1 2.75Å; Y587-F633 HydrophobicContact CD1-CB 3.84Å; Y587-F633 HydrophobicContact CD1-CD1 4.07Å; Y587-F633 HydrophobicContact CD1-CG 4.41Å; Y587-F633 HydrophobicContact CD2-CB 3.6Å; Y587-F633 HydrophobicContact CE1-CB 3.88Å; Y587-F633 HydrophobicContact CE2-CB 3.67Å; Y587-F633 HydrophobicContact CG-CB 3.7Å; Y587-F633 HydrophobicContact CG-CD1 4.17Å; Y587-F633 HydrophobicContact CG-CG 4.25Å; Y587-K636 WeakPolarHBondContact OH-CD 3.42Å; Y587-K636 PolarHBondContact OH-NZ 3.5Å
588	C	95.7	Very high	91.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.7	165.4	-178.2	0	0	0	0	109	L547 L549 V560 F577 Y579 D593	L547-C588 HydrophobicContact CD2-CB 3.88Å; L549-C588 HydrophobicContact CD1-CB 4.15Å; V560-C588 HydrophobicContact CG2-CB 4.43Å; V560-C588 VanDerWaalsContact CG2-SG 3.51Å; F577-C588 PolarHBondContact N-O 3.42Å; F577-C588 PolarHBondContact O-N 3.23Å; Y579-C588 HydrophobicContact CE1-CB 3.96Å; C588-D593 WeakPolarHBondContact CA-O 3.24Å
589	L	94	Very high	91.3	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.021	18%	0.181	C	C	.	.			trans	-94.2	157.3	173.2	-58.8	-179.1	0	0	0	110.2	V576 Y587 N591 G592 D593 K636 I640	V576-L589 HydrophobicContact CB-CD2 4.26Å; V576-L589 HydrophobicContact CG1-CD2 3.93Å; V576-L589 HydrophobicContact CG2-CD2 3.64Å; Y587-L589 HydrophobicContact CD2-CD2 4.35Å; Y587-L589 HydrophobicContact CD2-CG 4.14Å; Y587-L589 HydrophobicContact CE2-CD1 4.43Å; Y587-L589 HydrophobicContact CE2-CG 4.15Å; L589-N591 WeakPolarHBondContact CB-OD1 3.38Å; L589-N591 PolarHBondContact O-N 3.1Å; L589-N591 VanDerWaalsContact O-N 3.1Å; L589-G592 PolarHBondContact O-N 3.29Å; L589-D593 HydrophobicContact CD1-CB 4.28Å; L589-D593 PolarHBondContact N-O 3.24Å; L589-K636 HydrophobicContact CD1-CB 3.89Å; L589-I640 HydrophobicContact CD1-CD1 3.6Å
590	L	92.2	Very high	90.8	Very high	45 Å²	45	35.9 Å²	35.9	24%	0.236	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.7	-177.4	-69.6	172.7	0	0	0	114.1	Y538 L549 K557 W571	Y538-L590 HydrophobicContact CD1-CD1 4.1Å; Y538-L590 HydrophobicContact CD1-CD2 3.79Å; Y538-L590 HydrophobicContact CD2-CD1 4.39Å; Y538-L590 HydrophobicContact CE1-CD1 3.69Å; Y538-L590 HydrophobicContact CE1-CD2 4.12Å; Y538-L590 HydrophobicContact CE2-CD1 4.01Å; Y538-L590 HydrophobicContact CG-CD1 4.43Å; Y538-L590 HydrophobicContact CG-CD2 4.2Å; L549-L590 HydrophobicContact CB-CD2 4.28Å; L549-L590 HydrophobicContact CD1-CD2 4.25Å; K557-L590 CarbonylContact C-O 3.48Å; K557-L590 VanDerWaalsContact C-O 3.3Å; K557-L590 WeakPolarHBondContact CB-O 3.43Å; W571-L590 HydrophobicContact CH2-CD2 3.94Å; W571-L590 HydrophobicContact CZ3-CD2 4.07Å
591	N	88.6	Confident	90	Very high	74 Å²	74	44.1 Å²	44.1	40%	0.396	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.1	175.4	77.7	-27.1	0	0	0	114.2	L589 D593 I640	L589-N591 WeakPolarHBondContact CB-OD1 3.38Å; L589-N591 PolarHBondContact O-N 3.1Å; L589-N591 VanDerWaalsContact O-N 3.1Å; N591-D593 PolarHBondContact ND2-OD2 3.02Å; N591-D593 PolarHBondContact OD1-N 2.82Å; N591-D593 PolarHBondContact OD1-OD2 3.46Å; N591-I640 WeakPolarHBondContact ND2-CD1 3.26Å
592	G	89.1	Confident	89.4	Confident	23 Å²	23	49.5 Å²	49.5	24%	0.237	25%	0.251	C	S	.	.	S	Bend	trans	92.2	-3.3	-178.8	0	0	0	0	0	116.2	L589 Y594	L589-G592 PolarHBondContact O-N 3.29Å; G592-Y594 WeakPolarHBondContact O-CD1 3.43Å
593	D	90.1	Very high	89.4	Confident	26 Å²	26	49.3 Å²	49.3	14%	0.139	25%	0.249	C	C	.	.			trans	-69.1	137.4	170.2	-71.7	-47.7	0	0	0	110.6	C588 L589 N591 Y664 K668	C588-D593 WeakPolarHBondContact CA-O 3.24Å; L589-D593 HydrophobicContact CD1-CB 4.28Å; L589-D593 PolarHBondContact N-O 3.24Å; N591-D593 PolarHBondContact ND2-OD2 3.02Å; N591-D593 PolarHBondContact OD1-N 2.82Å; N591-D593 PolarHBondContact OD1-OD2 3.46Å; D593-Y664 PolarHBondContact OD2-OH 3.38Å; D593-K668 IonicContact OD1-NZ 2.68Å; D593-K668 PolarHBondContact OD1-NZ 3.27Å; D593-K668 IonicContact OD2-NZ 3.88Å; D593-K668 PolarHBondContact OD2-NZ 3.47Å
594	Y	91.4	Very high	89.8	Confident	120 Å²	120	47.8 Å²	47.8	47%	0.471	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	160.7	-179.9	63.6	-90.1	0	0	0	111.8	V560 Y587 G592	V560-Y594 HydrophobicContact CG1-CD1 3.9Å; V560-Y594 HydrophobicContact CG1-CD2 4.33Å; V560-Y594 HydrophobicContact CG1-CE1 4.06Å; V560-Y594 HydrophobicContact CG1-CE2 4.47Å; V560-Y594 HydrophobicContact CG1-CG 4.05Å; V560-Y594 HydrophobicContact CG2-CD1 3.78Å; V560-Y594 HydrophobicContact CG2-CE1 4.42Å; V560-Y594 HydrophobicContact CG2-CG 4.27Å; Y587-Y594 VanDerWaalsContact O-CA 3.29Å; Y587-Y594 WeakPolarHBondContact O-CA 3.39Å; Y587-Y594 WeakPolarHBondContact O-CB 3.49Å; G592-Y594 WeakPolarHBondContact O-CD1 3.43Å
595	G	90.1	Very high	89.9	Confident	11 Å²	11	46.6 Å²	46.6	11%	0.113	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	177.2	-178.6	0	0	0	0	0	113.8	K586 Y587	K586-G595 WeakPolarHBondContact CA-O 3.47Å; K586-G595 WeakPolarHBondContact CB-O 3.41Å; K586-G595 WeakPolarHBondContact CG-O 3.35Å; Y587-G595 PolarHBondContact N-O 3.15Å; Y587-G595 VanDerWaalsContact N-O 3.12Å; Y587-G595 PolarHBondContact O-N 3.15Å
596	I	90.6	Very high	89.9	Confident	85 Å²	85	46.6 Å²	46.6	44%	0.436	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.6	-178.3	-67.3	169	0	0	0	109.1	H584 K586	H584-I596 HydrophobicContact CB-CG2 4.13Å; K586-I596 HydrophobicContact CD-CG1 4.32Å; K586-I596 HydrophobicContact CG-CG1 4Å
597	I	89.7	Confident	89.8	Confident	34 Å²	34	46.1 Å²	46.1	17%	0.174	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-45	178.2	-49.2	-179.4	0	0	0	111.2	V578 I585 Y587 I628 F633	V578-I597 HydrophobicContact CG1-CD1 3.86Å; I585-I597 HydrophobicContact CB-CB 4.45Å; I585-I597 HydrophobicContact CG2-CB 4.33Å; I585-I597 HydrophobicContact CG2-CD1 4.04Å; I585-I597 HydrophobicContact CG2-CG1 4.5Å; I585-I597 PolarHBondContact O-N 3.39Å; Y587-I597 HydrophobicContact CD1-CD1 4.39Å; Y587-I597 HydrophobicContact CD1-CG1 3.88Å; I597-I628 HydrophobicContact CD1-CD1 4.45Å; I597-I628 HydrophobicContact CG2-CB 3.68Å; I597-I628 HydrophobicContact CG2-CG2 3.62Å; I597-F633 HydrophobicContact CD1-CD1 4.23Å; I597-F633 HydrophobicContact CD1-CE1 4.03Å
598	R	88.6	Confident	89.6	Confident	105 Å²	105	49.2 Å²	49.2	40%	0.396	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	139.4	-171.3	-179	-177.1	-85.7	-110.1	3.4	110.7	H584 I585 T627	H584-R598 CarbonylContact C-O 3.5Å; H584-R598 VanDerWaalsContact CA-O 3.25Å; H584-R598 WeakPolarHBondContact CA-O 3.38Å; I585-R598 HydrophobicContact CB-CB 4.34Å; I585-R598 HydrophobicContact CD1-CB 4.26Å; I585-R598 HydrophobicContact CG1-CB 4.39Å; I585-R598 PolarHBondContact N-O 3.42Å; I585-R598 PolarHBondContact O-N 3.45Å; R598-T627 PolarHBondContact NE-O 2.99Å; R598-T627 PolarHBondContact NH2-O 3.48Å
599	T	89.4	Confident	89.4	Confident	101 Å²	101	49.4 Å²	49.4	62%	0.62	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.6	172.2	-62.9	0	0	0	0	111.2	N583 H584	N583-T599 CarbonylContact O-C 3.57Å; N583-T599 WeakPolarHBondContact O-CA 3.47Å; H584-T599 PolarHBondContact CE1-OG1 3.14Å; H584-T599 PolarHBondContact ND1-OG1 3.14Å
600	L	86	Confident	89.1	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	27%	0.267	C	S	.	.			trans	-129.7	132.1	-173.5	-63.3	172	0	0	0	110.8	T580 N583 I585 V604 F626	T580-L600 HydrophobicContact CG2-CD1 3.89Å; N583-L600 PolarHBondContact O-N 3.43Å; I585-L600 HydrophobicContact CD1-CD2 4.36Å; I585-L600 HydrophobicContact CG1-CD1 3.84Å; I585-L600 HydrophobicContact CG1-CD2 4.12Å; I585-L600 HydrophobicContact CG1-CG 4.1Å; L600-V604 HydrophobicContact CD1-CG2 3.93Å; L600-V604 HydrophobicContact CD2-CG2 4.35Å; L600-F626 HydrophobicContact CD2-CE1 4.47Å; L600-F626 HydrophobicContact CD2-CZ 4.42Å
601	E	77.6	Confident	88.8	Confident	173 Å²	173	53.5 Å²	53.5	81%	0.808	27%	0.265	S	S	*	.	S	Bend	trans	-72.9	-44.4	173.5	-53.9	-171.7	156.6	0	0	111.6	R41	R41-E601 PolarHBondContact NH1-O 2.95Å; R41-E601 VanDerWaalsContact NH1-O 3.13Å; R41-E601 PolarHBondContact NH2-O 3.35Å
602	L	79.8	Confident	88.8	Confident	112 Å²	112	53.6 Å²	53.6	59%	0.586	27%	0.266	S	S	*	.	S	Bend	trans	-116.6	137.3	-177.2	-62.4	178.9	0	0	0	110.7	V604	L602-V604 PolarHBondContact O-N 2.97Å
603	P	85.4	Confident	88.9	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.026	27%	0.266	C	S	.	.			trans	-69.3	117.1	177	-18.9	30.6	0	0	0	112.8	K567 S582 R619	K567-P603 HydrophobicContact CD-CB 4.24Å; K567-P603 HydrophobicContact CG-CB 4.19Å; S582-P603 WeakPolarHBondContact O-CG 3.24Å; P603-R619 VanDerWaalsContact CD-NH2 3.3Å; P603-R619 VanDerWaalsContact CG-NH2 3.28Å
604	V	91.4	Very high	89.1	Confident	5 Å²	5	53 Å²	53	3%	0.03	26%	0.26	C	S	.	.			trans	-104.2	158.6	172.7	-60.7	0	0	0	0	111.4	T580 L600 L602 C616 L624 F626	T580-V604 WeakPolarHBondContact CB-O 3.21Å; T580-V604 HydrophobicContact CG2-CG2 4.11Å; T580-V604 PolarHBondContact OG1-O 2.88Å; L600-V604 HydrophobicContact CD1-CG2 3.93Å; L600-V604 HydrophobicContact CD2-CG2 4.35Å; L602-V604 PolarHBondContact O-N 2.97Å; V604-C616 HydrophobicContact CB-CB 4.15Å; V604-C616 HydrophobicContact CG2-CB 4.19Å; V604-C616 VanDerWaalsContact CG2-SG 3.59Å; V604-L624 HydrophobicContact CG1-CD1 3.9Å; V604-F626 HydrophobicContact CB-CE2 4.44Å; V604-F626 HydrophobicContact CG1-CE2 4.17Å; V604-F626 HydrophobicContact CG1-CZ 4.24Å; V604-F626 HydrophobicContact CG2-CE2 3.93Å; V604-F626 HydrophobicContact CG2-CZ 4.5Å
605	Y	93.9	Very high	89.1	Confident	18 Å²	18	48.9 Å²	48.9	7%	0.071	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.7	178.6	-53.1	-83.7	0	0	0	109.4	E343 R344 K567 T607 C616 I617 D618 R619	E343-Y605 PolarHBondContact O-OH 2.97Å; R344-Y605 HydrophobicContact CB-CD1 4.49Å; R344-Y605 HydrophobicContact CB-CE1 3.76Å; R344-Y605 HydrophobicContact CB-CE2 4.23Å; R344-Y605 HydrophobicContact CG-CD1 3.86Å; R344-Y605 HydrophobicContact CG-CE1 3.61Å; R344-Y605 HydrophobicContact CG-CE2 4.32Å; R344-Y605 HydrophobicContact CG-CG 4.32Å; K567-Y605 HydrophobicContact CB-CD1 3.97Å; K567-Y605 HydrophobicContact CB-CE1 3.98Å; Y605-T607 WeakPolarHBondContact O-CG2 3.2Å; Y605-T607 PolarHBondContact O-N 2.95Å; Y605-C616 CarbonylContact O-C 3.46Å; Y605-C616 VanDerWaalsContact O-CA 3.3Å; Y605-C616 WeakPolarHBondContact O-CA 3.48Å; Y605-I617 HydrophobicContact CD2-CG2 4.47Å; Y605-I617 PolarHBondContact N-O 3.37Å; Y605-I617 PolarHBondContact O-N 3.44Å; Y605-D618 WeakPolarHBondContact CD2-O 3.29Å; Y605-R619 HydrophobicContact CE2-CG 4.37Å
606	I	94.7	Very high	89.2	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	135.8	169.9	-56.6	-177.7	0	0	0	109.4	F347 S568 A570 V578 T580 I585 V609 V614	F347-I606 WeakPolarHBondContact CZ-O 3.43Å; S568-I606 PolarHBondContact OG-O 3.16Å; A570-I606 HydrophobicContact CB-CG2 3.7Å; V578-I606 HydrophobicContact CB-CD1 4.38Å; V578-I606 HydrophobicContact CG1-CD1 3.79Å; T580-I606 HydrophobicContact CG2-CD1 3.98Å; T580-I606 HydrophobicContact CG2-CG1 3.75Å; I585-I606 HydrophobicContact CG2-CD1 4.35Å; I606-V609 HydrophobicContact CG2-CG2 4.2Å; I606-V614 HydrophobicContact CB-CG1 4.38Å; I606-V614 HydrophobicContact CD1-CG1 3.85Å; I606-V614 HydrophobicContact CG1-CG1 3.73Å; I606-V614 HydrophobicContact CG2-CG1 3.96Å
607	T	92.3	Very high	89.3	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-37.8	177.6	67.6	0	0	0	0	111.5	F347 M354 Y605 Y615 I617	F347-T607 HydrophobicContact CD1-CG2 4.28Å; F347-T607 HydrophobicContact CD2-CG2 3.96Å; F347-T607 HydrophobicContact CE1-CG2 4.01Å; F347-T607 HydrophobicContact CE2-CG2 3.7Å; F347-T607 HydrophobicContact CG-CG2 4.27Å; F347-T607 HydrophobicContact CZ-CG2 3.72Å; M354-T607 HydrophobicContact SD-CG2 3.63Å; Y605-T607 WeakPolarHBondContact O-CG2 3.2Å; Y605-T607 PolarHBondContact O-N 2.95Å; T607-Y615 PolarHBondContact N-O 3.34Å; T607-Y615 PolarHBondContact OG1-O 3.26Å; T607-I617 HydrophobicContact CG2-CB 4.26Å; T607-I617 HydrophobicContact CG2-CG2 3.89Å
608	R	91	Very high	89.2	Confident	65 Å²	65	44.2 Å²	44.2	25%	0.245	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	153.5	170.8	-174.7	164.8	176.7	-162.8	-12.4	111.3	K351 D352 F367 Y615	K351-R608 PolarHBondContact O-NH1 2.98Å; D352-R608 IonicContact OD1-CZ 2.69Å; D352-R608 IonicContact OD1-NH1 3.4Å; D352-R608 PolarHBondContact OD1-NH1 3.24Å; D352-R608 IonicContact OD1-NH2 2.76Å; F367-R608 HydrophobicContact CE2-CB 3.85Å; F367-R608 HydrophobicContact CE2-CG 4.45Å; F367-R608 HydrophobicContact CZ-CB 3.97Å; R608-Y615 PolarHBondContact N-O 3.05Å; R608-Y615 PolarHBondContact O-N 2.68Å
609	V	91.5	Very high	88.9	Confident	4 Å²	4	42 Å²	42	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.9	162.7	-174.4	0	0	0	0	108.2	A570 E572 V578 I606 S613 V614 I628	A570-V609 HydrophobicContact CB-CG2 4.35Å; E572-V609 HydrophobicContact CB-CB 4.34Å; E572-V609 HydrophobicContact CB-CG1 4.04Å; E572-V609 HydrophobicContact CG-CG1 3.88Å; V578-V609 HydrophobicContact CB-CG2 3.99Å; V578-V609 HydrophobicContact CG1-CG2 4.42Å; V578-V609 HydrophobicContact CG2-CG2 4.19Å; I606-V609 HydrophobicContact CG2-CG2 4.2Å; V609-S613 WeakPolarHBondContact CA-O 3.47Å; V609-V614 HydrophobicContact CG1-CG2 4.34Å; V609-V614 HydrophobicContact CG2-CG1 4.39Å; V609-V614 HydrophobicContact CG2-CG2 4.13Å; V609-I628 HydrophobicContact CG1-CD1 4.43Å
610	R	87.3	Confident	88.5	Confident	116 Å²	116	41 Å²	41	44%	0.438	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	117.7	173.5	-172.9	-176.9	-179.4	169.7	-2.3	108.6	D352 E573 N612 S613 Y615	D352-R610 IonicContact OD1-NH1 3.01Å; E573-R610 WeakPolarHBondContact OE1-CA 3.39Å; E573-R610 WeakPolarHBondContact OE1-CG 3.21Å; R610-N612 PolarHBondContact O-N 2.81Å; R610-S613 PolarHBondContact N-O 2.94Å; R610-S613 PolarHBondContact O-N 3.17Å; R610-Y615 HydrophobicContact CB-CE2 4.26Å
611	G	86.7	Confident	88.5	Confident	19 Å²	19	41.3 Å²	41.3	20%	0.196	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	-125.6	-170.1	0	0	0	0	0	112.7	E573 S613	E573-G611 PolarHBondContact OE1-N 3.23Å; G611-S613 VanDerWaalsContact C-N 3.27Å; G611-S613 PolarHBondContact O-N 3.23Å
612	N	89.2	Confident	88.9	Confident	75 Å²	75	34.9 Å²	34.9	40%	0.401	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	9.7	-178.3	-61.1	13.4	0	0	0	113.8	R610 T627 I628	R610-N612 PolarHBondContact O-N 2.81Å; N612-T627 CarbonylContact O-C 3.58Å; N612-T627 WeakPolarHBondContact O-CA 3.13Å; N612-I628 WeakPolarHBondContact O-CG1 3.39Å; N612-I628 PolarHBondContact O-N 3.18Å
613	S	91	Very high	89.3	Confident	36 Å²	36	32.1 Å²	32.1	25%	0.252	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.5	-175.6	-64.2	0	0	0	0	112.6	V609 R610 G611	V609-S613 WeakPolarHBondContact CA-O 3.47Å; R610-S613 PolarHBondContact N-O 2.94Å; R610-S613 PolarHBondContact O-N 3.17Å; G611-S613 VanDerWaalsContact C-N 3.27Å; G611-S613 PolarHBondContact O-N 3.23Å
614	V	92.9	Very high	89.5	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112.4	170.4	-178.2	0	0	0	0	108.9	I606 V609 F626 I628	I606-V614 HydrophobicContact CB-CG1 4.38Å; I606-V614 HydrophobicContact CD1-CG1 3.85Å; I606-V614 HydrophobicContact CG1-CG1 3.73Å; I606-V614 HydrophobicContact CG2-CG1 3.96Å; V609-V614 HydrophobicContact CG1-CG2 4.34Å; V609-V614 HydrophobicContact CG2-CG1 4.39Å; V609-V614 HydrophobicContact CG2-CG2 4.13Å; V614-F626 PolarHBondContact N-O 3.47Å; V614-F626 PolarHBondContact O-N 3.01Å; V614-I628 HydrophobicContact CB-CG2 4.44Å; V614-I628 HydrophobicContact CG2-CB 4.33Å; V614-I628 HydrophobicContact CG2-CD1 3.68Å; V614-I628 HydrophobicContact CG2-CG1 3.9Å; V614-I628 HydrophobicContact CG2-CG2 3.51Å
615	Y	92.1	Very high	89.5	Confident	34 Å²	34	38.1 Å²	38.1	13%	0.133	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.9	173.6	-64.5	-100.3	0	0	0	109.5	F367 T607 R608 R610 V625	F367-Y615 HydrophobicContact CB-CD1 4.37Å; F367-Y615 HydrophobicContact CB-CE1 3.9Å; F367-Y615 AromaticContact CD1-CD1 3.29Å; F367-Y615 HydrophobicContact CD1-CD1 3.29Å; F367-Y615 AromaticContact CD1-CE1 3.71Å; F367-Y615 HydrophobicContact CD1-CE1 3.71Å; F367-Y615 AromaticContact CD1-CG 3.81Å; F367-Y615 HydrophobicContact CD1-CG 3.81Å; F367-Y615 AromaticContact CE1-CD1 3.74Å; F367-Y615 HydrophobicContact CE1-CD1 3.74Å; F367-Y615 AromaticContact CE1-CG 3.89Å; F367-Y615 HydrophobicContact CE1-CG 3.89Å; F367-Y615 HydrophobicContact CG-CD1 4.07Å; F367-Y615 HydrophobicContact CG-CE1 4.11Å; F367-Y615 HydrophobicContact CG-CG 4.46Å; F367-Y615 WeakPolarHBondContact O-CE1 3.16Å; F367-Y615 PolarHBondContact O-OH 3.24Å; T607-Y615 PolarHBondContact N-O 3.34Å; T607-Y615 PolarHBondContact OG1-O 3.26Å; R608-Y615 PolarHBondContact N-O 3.05Å; R608-Y615 PolarHBondContact O-N 2.68Å; R610-Y615 HydrophobicContact CB-CE2 4.26Å; Y615-V625 HydrophobicContact CD1-CG1 4.46Å; Y615-V625 HydrophobicContact CD1-CG2 3.7Å; Y615-V625 HydrophobicContact CE1-CG1 4.42Å; Y615-V625 HydrophobicContact CE1-CG2 3.87Å
616	C	92.6	Very high	89.3	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.014	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.3	-171.5	-84.1	0	0	0	0	111.1	V604 Y605 P623 L624 F626	V604-C616 HydrophobicContact CB-CB 4.15Å; V604-C616 HydrophobicContact CG2-CB 4.19Å; V604-C616 VanDerWaalsContact CG2-SG 3.59Å; Y605-C616 CarbonylContact O-C 3.46Å; Y605-C616 VanDerWaalsContact O-CA 3.3Å; Y605-C616 WeakPolarHBondContact O-CA 3.48Å; C616-P623 WeakPolarHBondContact O-CA 3.44Å; C616-L624 HydrophobicContact CB-CB 4.17Å; C616-L624 PolarHBondContact N-O 3Å; C616-L624 PolarHBondContact O-N 3.32Å; C616-F626 HydrophobicContact CB-CD2 4.12Å; C616-F626 HydrophobicContact CB-CE2 3.92Å
617	I	91.4	Very high	89.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.3	159.6	-166.6	169.1	0	0	0	109.2	P345 F347 Y356 Y605 T607 C621 S622	P345-I617 HydrophobicContact CB-CD1 3.96Å; P345-I617 HydrophobicContact CB-CG2 4.43Å; P345-I617 HydrophobicContact CG-CD1 4.06Å; P345-I617 HydrophobicContact CG-CG1 4.18Å; P345-I617 HydrophobicContact CG-CG2 4.2Å; F347-I617 HydrophobicContact CD1-CG2 3.93Å; F347-I617 HydrophobicContact CE1-CG2 4.11Å; Y356-I617 HydrophobicContact CD2-CD1 3.38Å; Y356-I617 HydrophobicContact CE2-CD1 3.86Å; Y356-I617 HydrophobicContact CG-CD1 3.9Å; Y605-I617 HydrophobicContact CD2-CG2 4.47Å; Y605-I617 PolarHBondContact N-O 3.37Å; Y605-I617 PolarHBondContact O-N 3.44Å; T607-I617 HydrophobicContact CG2-CB 4.26Å; T607-I617 HydrophobicContact CG2-CG2 3.89Å; I617-C621 HydrophobicContact CD1-CB 4.43Å; I617-S622 WeakPolarHBondContact CA-O 3.35Å; I617-S622 WeakPolarHBondContact CG1-O 3.45Å
618	D	87.9	Confident	89	Confident	30 Å²	30	43.2 Å²	43.2	16%	0.16	23%	0.229	C	C	.	.			trans	-83.1	-151.4	177.3	70.4	11.7	0	0	0	112.5	P345 Y605 D620 C621 S622 L624	P345-D618 WeakPolarHBondContact CD-O 3.45Å; P345-D618 VanDerWaalsContact CG-O 3.27Å; P345-D618 WeakPolarHBondContact CG-O 3.42Å; Y605-D618 WeakPolarHBondContact CD2-O 3.29Å; D618-D620 PolarHBondContact OD1-N 3.4Å; D618-C621 WeakPolarHBondContact OD1-CA 3.2Å; D618-C621 PolarHBondContact OD1-N 2.97Å; D618-S622 PolarHBondContact N-O 2.68Å; D618-S622 VanDerWaalsContact N-O 3.12Å; D618-S622 PolarHBondContact OD1-N 3.33Å; D618-S622 PolarHBondContact OD1-OG 2.91Å; D618-S622 WeakPolarHBondContact OD2-CB 3.48Å; D618-S622 PolarHBondContact OD2-OG 2.91Å; D618-L624 HydrophobicContact CB-CD1 3.97Å
619	R	83.1	Confident	88.8	Confident	58 Å²	58	44.8 Å²	44.8	22%	0.219	24%	0.243	C	C	.	.	S	Bend	trans	-95.3	-34.8	174.6	-65.4	-177.6	179	172.1	14.6	113.9	E343 P603 Y605 C621	E343-R619 HydrophobicContact CB-CB 4.25Å; E343-R619 HydrophobicContact CB-CG 3.95Å; E343-R619 VanDerWaalsContact CD-NH1 3.31Å; E343-R619 IonicContact OE1-CZ 2.7Å; E343-R619 IonicContact OE1-NE 3.64Å; E343-R619 IonicContact OE1-NH1 3.59Å; E343-R619 PolarHBondContact OE1-NH1 3.22Å; E343-R619 IonicContact OE2-CZ 2.72Å; E343-R619 IonicContact OE2-NE 3.23Å; E343-R619 IonicContact OE2-NH1 3.08Å; E343-R619 PolarHBondContact OE2-NH1 3Å; P603-R619 VanDerWaalsContact CD-NH2 3.3Å; P603-R619 VanDerWaalsContact CG-NH2 3.28Å; Y605-R619 HydrophobicContact CE2-CG 4.37Å; R619-C621 PolarHBondContact O-N 3.47Å
620	D	80.6	Confident	88.5	Confident	82 Å²	82	44.9 Å²	44.9	44%	0.439	24%	0.243	S	C	.	.	S	Bend	trans	-86.1	13.2	-179.2	-58.9	-96.4	0	0	0	111.5	R281 K358 D618	R281-D620 IonicContact CZ-OD1 3.59Å; R281-D620 IonicContact NH1-OD1 3.46Å; R281-D620 PolarHBondContact NH1-OD1 2.85Å; R281-D620 IonicContact NH2-OD1 3.85Å; R281-D620 PolarHBondContact NH2-OD1 2.56Å; K358-D620 VanDerWaalsContact CE-O 3.28Å; K358-D620 WeakPolarHBondContact CE-O 3.37Å; K358-D620 PolarHBondContact NZ-O 3.03Å; D618-D620 PolarHBondContact OD1-N 3.4Å
621	C	86.4	Confident	88.4	Confident	20 Å²	20	40.7 Å²	40.7	14%	0.135	23%	0.231	C	C	.	.	S	Bend	trans	65	49.3	174.8	-55.6	0	0	0	0	112.8	Y356 K358 I617 D618 R619	Y356-C621 HydrophobicContact CD2-CB 4.3Å; Y356-C621 HydrophobicContact CE2-CB 3.99Å; Y356-C621 WeakPolarHBondContact CE2-O 3.35Å; K358-C621 HydrophobicContact CB-CB 3.98Å; K358-C621 HydrophobicContact CD-CB 3.82Å; K358-C621 WeakPolarHBondContact CD-O 3.14Å; K358-C621 HydrophobicContact CG-CB 3.81Å; K358-C621 PolarHBondContact NZ-O 2.92Å; I617-C621 HydrophobicContact CD1-CB 4.43Å; D618-C621 WeakPolarHBondContact OD1-CA 3.2Å; D618-C621 PolarHBondContact OD1-N 2.97Å; R619-C621 PolarHBondContact O-N 3.47Å
622	S	86	Confident	88.3	Confident	39 Å²	39	42.2 Å²	42.2	27%	0.273	23%	0.233	S	C	.	.			trans	-107.2	130.6	171.8	-27.3	0	0	0	0	109.7	I617 D618	I617-S622 WeakPolarHBondContact CA-O 3.35Å; I617-S622 WeakPolarHBondContact CG1-O 3.45Å; D618-S622 PolarHBondContact N-O 2.68Å; D618-S622 VanDerWaalsContact N-O 3.12Å; D618-S622 PolarHBondContact OD1-N 3.33Å; D618-S622 PolarHBondContact OD1-OG 2.91Å; D618-S622 WeakPolarHBondContact OD2-CB 3.48Å; D618-S622 PolarHBondContact OD2-OG 2.91Å
623	P	87.8	Confident	88.3	Confident	54 Å²	54	38.8 Å²	38.8	35%	0.351	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	141.6	170	30.1	-33.5	0	0	0	110.4	M354 V365 C616	M354-P623 HydrophobicContact CE-CB 4.31Å; V365-P623 HydrophobicContact CG2-CB 4.33Å; V365-P623 HydrophobicContact CG2-CG 4.31Å; C616-P623 WeakPolarHBondContact O-CA 3.44Å
624	L	89.9	Confident	88.1	Confident	63 Å²	63	40.4 Å²	40.4	33%	0.33	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.2	178.6	-65	175.2	0	0	0	109.6	V604 C616 D618 F626	V604-L624 HydrophobicContact CG1-CD1 3.9Å; C616-L624 HydrophobicContact CB-CB 4.17Å; C616-L624 PolarHBondContact N-O 3Å; C616-L624 PolarHBondContact O-N 3.32Å; D618-L624 HydrophobicContact CB-CD1 3.97Å; L624-F626 HydrophobicContact CB-CE2 3.88Å; L624-F626 HydrophobicContact CB-CZ 4.29Å; L624-F626 HydrophobicContact CD1-CE2 4.18Å; L624-F626 HydrophobicContact CD1-CZ 4.01Å
625	V	91	Very high	87.8	Confident	72 Å²	72	40.4 Å²	40.4	44%	0.436	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.4	173.4	-171.6	0	0	0	0	108.6	Y615	Y615-V625 HydrophobicContact CD1-CG1 4.46Å; Y615-V625 HydrophobicContact CD1-CG2 3.7Å; Y615-V625 HydrophobicContact CE1-CG1 4.42Å; Y615-V625 HydrophobicContact CE1-CG2 3.87Å
626	F	90.3	Very high	87.5	Confident	41 Å²	41	39.4 Å²	39.4	18%	0.18	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.4	176.5	-62.7	-82.1	0	0	0	110	I585 L600 V604 V614 C616 L624 I628	I585-F626 HydrophobicContact CD1-CB 4.38Å; L600-F626 HydrophobicContact CD2-CE1 4.47Å; L600-F626 HydrophobicContact CD2-CZ 4.42Å; V604-F626 HydrophobicContact CB-CE2 4.44Å; V604-F626 HydrophobicContact CG1-CE2 4.17Å; V604-F626 HydrophobicContact CG1-CZ 4.24Å; V604-F626 HydrophobicContact CG2-CE2 3.93Å; V604-F626 HydrophobicContact CG2-CZ 4.5Å; V614-F626 PolarHBondContact N-O 3.47Å; V614-F626 PolarHBondContact O-N 3.01Å; C616-F626 HydrophobicContact CB-CD2 4.12Å; C616-F626 HydrophobicContact CB-CE2 3.92Å; L624-F626 HydrophobicContact CB-CE2 3.88Å; L624-F626 HydrophobicContact CB-CZ 4.29Å; L624-F626 HydrophobicContact CD1-CE2 4.18Å; L624-F626 HydrophobicContact CD1-CZ 4.01Å; F626-I628 PolarHBondContact O-N 2.95Å
627	T	90.8	Very high	87.3	Confident	91 Å²	91	40.9 Å²	40.9	56%	0.558	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.6	167	-40.3	0	0	0	0	109.3	R598 N612	R598-T627 PolarHBondContact NE-O 2.99Å; R598-T627 PolarHBondContact NH2-O 3.48Å; N612-T627 CarbonylContact O-C 3.58Å; N612-T627 WeakPolarHBondContact O-CA 3.13Å
628	I	89.1	Confident	87	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.031	22%	0.219	C	C	.	.			trans	-108.1	151	173.3	53.3	163.9	0	0	0	110.6	I585 I597 V609 N612 V614 F626 P630 F633	I585-I628 HydrophobicContact CD1-CG2 4.46Å; I597-I628 HydrophobicContact CD1-CD1 4.45Å; I597-I628 HydrophobicContact CG2-CB 3.68Å; I597-I628 HydrophobicContact CG2-CG2 3.62Å; V609-I628 HydrophobicContact CG1-CD1 4.43Å; N612-I628 WeakPolarHBondContact O-CG1 3.39Å; N612-I628 PolarHBondContact O-N 3.18Å; V614-I628 HydrophobicContact CB-CG2 4.44Å; V614-I628 HydrophobicContact CG2-CB 4.33Å; V614-I628 HydrophobicContact CG2-CD1 3.68Å; V614-I628 HydrophobicContact CG2-CG1 3.9Å; V614-I628 HydrophobicContact CG2-CG2 3.51Å; F626-I628 PolarHBondContact O-N 2.95Å; I628-P630 WeakPolarHBondContact O-CD 3.43Å; I628-F633 HydrophobicContact CD1-CE1 4.29Å
629	D	86.3	Confident	86.8	Confident	99 Å²	99	39.8 Å²	39.8	53%	0.529	21%	0.213	S	C	.	.			trans	-88.1	115.8	162.4	-177.5	-1.7	0	0	0	108.2	T631	D629-T631 VanDerWaalsContact C-N 3.33Å; D629-T631 WeakPolarHBondContact OD1-CB 3.38Å; D629-T631 PolarHBondContact OD1-N 2.94Å; D629-T631 PolarHBondContact OD1-OG1 3.31Å
630	P	85.9	Confident	86.8	Confident	6 Å²	6	40 Å²	40	4%	0.039	22%	0.218	C	C	.	.			trans	-85.2	-5.2	178.1	37.2	-37.8	0	0	0	113.5	I628 E632 F633 R634	I628-P630 WeakPolarHBondContact O-CD 3.43Å; P630-E632 PolarHBondContact O-N 3.42Å; P630-F633 VanDerWaalsContact CA-CE1 3.48Å; P630-F633 HydrophobicContact CB-CE1 3.8Å; P630-F633 HydrophobicContact CB-CE2 4.02Å; P630-F633 HydrophobicContact CB-CZ 3.48Å; P630-F633 VanDerWaalsContact CB-CZ 3.48Å; P630-F633 PolarHBondContact O-N 3.31Å; P630-R634 HydrophobicContact CB-CG 4.2Å; P630-R634 WeakPolarHBondContact O-CB 3.33Å; P630-R634 WeakPolarHBondContact O-CG 3.47Å; P630-R634 PolarHBondContact O-N 2.96Å
631	T	84.6	Confident	87.1	Confident	27 Å²	27	39.8 Å²	39.8	17%	0.166	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-38	-162.2	-48.9	0	0	0	0	112.5	D629 F635 M650 S654 L656	D629-T631 VanDerWaalsContact C-N 3.33Å; D629-T631 WeakPolarHBondContact OD1-CB 3.38Å; D629-T631 PolarHBondContact OD1-N 2.94Å; D629-T631 PolarHBondContact OD1-OG1 3.31Å; T631-F635 WeakPolarHBondContact O-CB 3.3Å; T631-F635 PolarHBondContact O-N 3.4Å; T631-M650 HydrophobicContact CG2-CE 3.41Å; T631-M650 VanDerWaalsContact CG2-CE 3.41Å; T631-M650 VanDerWaalsContact O-CE 3.26Å; T631-M650 WeakPolarHBondContact O-CE 3.22Å; T631-S654 VanDerWaalsContact CG2-OG 3.3Å; T631-S654 WeakPolarHBondContact CG2-OG 3.36Å; T631-L656 HydrophobicContact CG2-CD2 3.41Å; T631-L656 VanDerWaalsContact CG2-CD2 3.41Å; T631-L656 HydrophobicContact CG2-CG 4.02Å
632	E	85.8	Confident	86.8	Confident	52 Å²	52	47.7 Å²	47.7	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-47.1	177.6	-163.7	-144.9	147	0	0	112.7	Y587 P630 K636	Y587-E632 WeakPolarHBondContact CE1-OE2 3.27Å; Y587-E632 VanDerWaalsContact OH-CD 3.24Å; Y587-E632 PolarHBondContact OH-OE1 2.75Å; P630-E632 PolarHBondContact O-N 3.42Å; E632-K636 WeakPolarHBondContact O-CG 3.28Å; E632-K636 PolarHBondContact O-N 2.99Å; E632-K636 WeakPolarHBondContact OE1-CE 3.31Å; E632-K636 IonicContact OE1-NZ 2.63Å; E632-K636 PolarHBondContact OE1-NZ 2.89Å
633	F	88.1	Confident	86.7	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-78.8	-30.7	-177.6	70.2	-111.6	0	0	0	112.5	V576 Y587 I597 I628 P630 K636 L637	V576-F633 HydrophobicContact CB-CD2 4.32Å; V576-F633 HydrophobicContact CB-CE2 4.29Å; V576-F633 HydrophobicContact CG1-CD2 3.94Å; V576-F633 HydrophobicContact CG1-CE2 4.17Å; V576-F633 HydrophobicContact CG1-CG 4.23Å; V576-F633 HydrophobicContact CG2-CD2 3.83Å; V576-F633 HydrophobicContact CG2-CE2 4.02Å; Y587-F633 HydrophobicContact CD1-CB 3.84Å; Y587-F633 HydrophobicContact CD1-CD1 4.07Å; Y587-F633 HydrophobicContact CD1-CG 4.41Å; Y587-F633 HydrophobicContact CD2-CB 3.6Å; Y587-F633 HydrophobicContact CE1-CB 3.88Å; Y587-F633 HydrophobicContact CE2-CB 3.67Å; Y587-F633 HydrophobicContact CG-CB 3.7Å; Y587-F633 HydrophobicContact CG-CD1 4.17Å; Y587-F633 HydrophobicContact CG-CG 4.25Å; I597-F633 HydrophobicContact CD1-CD1 4.23Å; I597-F633 HydrophobicContact CD1-CE1 4.03Å; I628-F633 HydrophobicContact CD1-CE1 4.29Å; P630-F633 VanDerWaalsContact CA-CE1 3.48Å; P630-F633 HydrophobicContact CB-CE1 3.8Å; P630-F633 HydrophobicContact CB-CE2 4.02Å; P630-F633 HydrophobicContact CB-CZ 3.48Å; P630-F633 VanDerWaalsContact CB-CZ 3.48Å; P630-F633 PolarHBondContact O-N 3.31Å; F633-K636 PolarHBondContact O-N 3.09Å; F633-L637 VanDerWaalsContact O-CB 3.24Å; F633-L637 WeakPolarHBondContact O-CB 3.37Å; F633-L637 PolarHBondContact O-N 3.29Å
634	R	87.7	Confident	86.2	Confident	71 Å²	71	51.7 Å²	51.7	27%	0.268	25%	0.246	S	C	.	.	H	α-helix	trans	-65.6	-43	170.7	-74.7	-175.2	177.2	179.6	-0.5	111.6	E572 P630 K636 L637 A638 M650	E572-R634 IonicContact OE1-NH2 3.6Å; E572-R634 PolarHBondContact OE1-NH2 3.44Å; P630-R634 HydrophobicContact CB-CG 4.2Å; P630-R634 WeakPolarHBondContact O-CB 3.33Å; P630-R634 WeakPolarHBondContact O-CG 3.47Å; P630-R634 PolarHBondContact O-N 2.96Å; R634-K636 PolarHBondContact O-N 3.44Å; R634-L637 PolarHBondContact O-N 2.86Å; R634-A638 WeakPolarHBondContact O-CB 3.26Å; R634-A638 PolarHBondContact O-N 3.46Å; R634-M650 HydrophobicContact CB-CE 3.91Å; R634-M650 HydrophobicContact CB-SD 4.49Å
635	F	86.1	Confident	85.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-47.6	174.5	176.3	-90.3	0	0	0	111.5	T631 A638 L639 V647 M650 V651 L656 I661 L665 F677	T631-F635 WeakPolarHBondContact O-CB 3.3Å; T631-F635 PolarHBondContact O-N 3.4Å; F635-A638 PolarHBondContact O-N 2.9Å; F635-L639 WeakPolarHBondContact O-CB 3.49Å; F635-L639 PolarHBondContact O-N 2.98Å; F635-V647 HydrophobicContact CD2-CG1 4.35Å; F635-V647 HydrophobicContact CE2-CG1 3.7Å; F635-V647 HydrophobicContact CZ-CG1 4.22Å; F635-M650 HydrophobicContact CB-CE 3.91Å; F635-M650 HydrophobicContact CB-SD 4.43Å; F635-V651 HydrophobicContact CE2-CG2 4.01Å; F635-L656 HydrophobicContact CD2-CD1 3.59Å; F635-L656 HydrophobicContact CE2-CD1 3.99Å; F635-L656 HydrophobicContact CG-CD1 4.14Å; F635-I661 HydrophobicContact CD1-CG2 4.25Å; F635-I661 HydrophobicContact CE1-CG2 3.61Å; F635-I661 HydrophobicContact CZ-CG2 3.91Å; F635-L665 HydrophobicContact CE1-CD1 4.46Å; F635-L665 HydrophobicContact CE1-CD2 4.09Å; F635-L665 HydrophobicContact CE1-CG 4.41Å; F635-L665 HydrophobicContact CZ-CD1 4.11Å; F635-L665 HydrophobicContact CZ-CD2 4.1Å; F635-L665 HydrophobicContact CZ-CG 4.46Å; F635-F677 HydrophobicContact CE2-CE2 4.29Å; F635-F677 AromaticContact CE2-CZ 3.84Å; F635-F677 HydrophobicContact CE2-CZ 3.84Å; F635-F677 HydrophobicContact CZ-CE2 4.11Å; F635-F677 HydrophobicContact CZ-CZ 4.05Å
636	K	87.1	Confident	84.9	Confident	13 Å²	13	56.2 Å²	56.2	6%	0.057	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-41.3	177	-68.9	-177.7	-172.4	170	0	112.5	Y587 L589 E632 F633 R634 L639 I640 Y664	Y587-K636 WeakPolarHBondContact OH-CD 3.42Å; Y587-K636 PolarHBondContact OH-NZ 3.5Å; L589-K636 HydrophobicContact CD1-CB 3.89Å; E632-K636 WeakPolarHBondContact O-CG 3.28Å; E632-K636 PolarHBondContact O-N 2.99Å; E632-K636 WeakPolarHBondContact OE1-CE 3.31Å; E632-K636 IonicContact OE1-NZ 2.63Å; E632-K636 PolarHBondContact OE1-NZ 2.89Å; F633-K636 PolarHBondContact O-N 3.09Å; R634-K636 PolarHBondContact O-N 3.44Å; K636-L639 PolarHBondContact O-N 3.36Å; K636-I640 VanDerWaalsContact O-CD1 3.29Å; K636-I640 WeakPolarHBondContact O-CD1 3.47Å; K636-I640 WeakPolarHBondContact O-CG1 3.18Å; K636-I640 PolarHBondContact O-N 3.38Å; K636-Y664 HydrophobicContact CD-CD1 4.49Å; K636-Y664 HydrophobicContact CD-CD2 4.24Å; K636-Y664 HydrophobicContact CD-CE1 4.08Å; K636-Y664 HydrophobicContact CD-CE2 3.77Å; K636-Y664 HydrophobicContact CG-CD1 4.33Å; K636-Y664 HydrophobicContact CG-CE1 3.73Å; K636-Y664 HydrophobicContact CG-CE2 4.32Å
637	L	86.9	Confident	84.4	Confident	32 Å²	32	54.3 Å²	54.3	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-64	-41.5	176.9	-176.6	61	0	0	0	111.9	H574 V576 F633 R634 I640 N641	H574-L637 HydrophobicContact CB-CD2 3.95Å; V576-L637 HydrophobicContact CG2-CD2 4.03Å; F633-L637 VanDerWaalsContact O-CB 3.24Å; F633-L637 WeakPolarHBondContact O-CB 3.37Å; F633-L637 PolarHBondContact O-N 3.29Å; R634-L637 PolarHBondContact O-N 2.86Å; L637-I640 PolarHBondContact O-N 3Å; L637-N641 VanDerWaalsContact O-CB 3.27Å; L637-N641 WeakPolarHBondContact O-CB 3.48Å; L637-N641 PolarHBondContact O-N 2.88Å; L637-N641 PolarHBondContact O-ND2 2.96Å
638	A	86.3	Confident	83.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-62.9	-42.2	174.3	0	0	0	0	0	111.7	R634 F635 N641 R642 R643 E646 V647	R634-A638 WeakPolarHBondContact O-CB 3.26Å; R634-A638 PolarHBondContact O-N 3.46Å; F635-A638 PolarHBondContact O-N 2.9Å; A638-N641 CarbonylContact O-C 3.57Å; A638-N641 PolarHBondContact O-N 3.22Å; A638-R642 PolarHBondContact O-N 3.36Å; A638-R643 HydrophobicContact CB-CB 4.3Å; A638-R643 PolarHBondContact O-N 3.27Å; A638-E646 HydrophobicContact CB-CB 4.28Å; A638-E646 HydrophobicContact CB-CG 4.15Å; A638-V647 HydrophobicContact CB-CG2 3.79Å
639	L	83.8	Confident	82.9	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-45.5	175.1	-172.1	71.7	0	0	0	112.3	F635 K636 N641 R642 V647 Y664 L665 Y670	F635-L639 WeakPolarHBondContact O-CB 3.49Å; F635-L639 PolarHBondContact O-N 2.98Å; K636-L639 PolarHBondContact O-N 3.36Å; L639-N641 VanDerWaalsContact C-N 3.3Å; L639-N641 PolarHBondContact O-N 3.41Å; L639-R642 PolarHBondContact O-N 3.02Å; L639-V647 HydrophobicContact CB-CG2 4.39Å; L639-Y664 HydrophobicContact CD2-CE1 3.91Å; L639-L665 HydrophobicContact CD2-CD2 3.89Å; L639-Y670 HydrophobicContact CD1-CD2 4.24Å; L639-Y670 HydrophobicContact CD1-CE2 4.16Å; L639-Y670 HydrophobicContact CD2-CD2 3.95Å; L639-Y670 HydrophobicContact CD2-CE2 3.98Å; L639-Y670 HydrophobicContact CG-CD2 4.47Å; L639-Y670 HydrophobicContact CG-CE2 4.19Å
640	I	83.5	Confident	82.4	Confident	63 Å²	63	53.2 Å²	53.2	32%	0.323	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-41.6	175.9	-68.4	157.1	0	0	0	110.7	L589 N591 K636 L637 R642	L589-I640 HydrophobicContact CD1-CD1 3.6Å; N591-I640 WeakPolarHBondContact ND2-CD1 3.26Å; K636-I640 VanDerWaalsContact O-CD1 3.29Å; K636-I640 WeakPolarHBondContact O-CD1 3.47Å; K636-I640 WeakPolarHBondContact O-CG1 3.18Å; K636-I640 PolarHBondContact O-N 3.38Å; L637-I640 PolarHBondContact O-N 3Å; I640-R642 PolarHBondContact O-N 3.3Å
641	N	85	Confident	81.6	Confident	78 Å²	78	54.3 Å²	54.3	42%	0.417	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	8.3	177.1	-64.6	-20.6	0	0	0	113.6	L637 A638 L639 R643	L637-N641 VanDerWaalsContact O-CB 3.27Å; L637-N641 WeakPolarHBondContact O-CB 3.48Å; L637-N641 PolarHBondContact O-N 2.88Å; L637-N641 PolarHBondContact O-ND2 2.96Å; A638-N641 CarbonylContact O-C 3.57Å; A638-N641 PolarHBondContact O-N 3.22Å; L639-N641 VanDerWaalsContact C-N 3.3Å; L639-N641 PolarHBondContact O-N 3.41Å; N641-R643 HydrophobicContact CB-CG 4.13Å; N641-R643 PolarHBondContact O-N 3.36Å
642	R	82.1	Confident	80.8	Confident	185 Å²	185	59.8 Å²	59.8	70%	0.698	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	31.1	179.5	-56.7	-173.2	-178.6	-167.9	-1.2	115.3	A638 L639 I640 Y644	A638-R642 PolarHBondContact O-N 3.36Å; L639-R642 PolarHBondContact O-N 3.02Å; I640-R642 PolarHBondContact O-N 3.3Å; R642-Y644 VanDerWaalsContact C-N 3.33Å; R642-Y644 HydrophobicContact CB-CE2 3.85Å; R642-Y644 VanDerWaalsContact O-CD2 3.23Å; R642-Y644 WeakPolarHBondContact O-CD2 3.28Å; R642-Y644 WeakPolarHBondContact O-CE2 3.36Å; R642-Y644 PolarHBondContact O-N 2.91Å; R642-Y644 VanDerWaalsContact O-N 3.09Å
643	R	81.9	Confident	80	Confident	123 Å²	123	62.7 Å²	62.7	46%	0.464	28%	0.28	S	S	.	.			trans	-86.6	69.6	179.3	-60.7	-179	-174.7	173.2	-1.2	111.3	A638 N641 E645 E646 V647	A638-R643 HydrophobicContact CB-CB 4.3Å; A638-R643 PolarHBondContact O-N 3.27Å; N641-R643 HydrophobicContact CB-CG 4.13Å; N641-R643 PolarHBondContact O-N 3.36Å; R643-E645 PolarHBondContact O-N 3.25Å; R643-E646 HydrophobicContact CB-CB 3.95Å; R643-E646 WeakPolarHBondContact CD-OE2 3.37Å; R643-E646 IonicContact CZ-OE2 3.9Å; R643-E646 IonicContact NE-OE2 2.72Å; R643-E646 IonicContact NH1-OE1 2.72Å; R643-E646 IonicContact NH1-OE2 2.91Å; R643-E646 PolarHBondContact NH1-OE2 2.63Å; R643-E646 PolarHBondContact O-N 2.77Å; R643-E646 VanDerWaalsContact O-N 3.09Å; R643-V647 WeakPolarHBondContact O-CG2 3.23Å; R643-V647 PolarHBondContact O-N 3.11Å
644	Y	77.8	Confident	78.9	Confident	55 Å²	55	64.1 Å²	64.1	22%	0.216	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-29.5	-172.1	-57.3	-67.4	0	0	0	113.9	R642 L648 F872 F873	R642-Y644 VanDerWaalsContact C-N 3.33Å; R642-Y644 HydrophobicContact CB-CE2 3.85Å; R642-Y644 VanDerWaalsContact O-CD2 3.23Å; R642-Y644 WeakPolarHBondContact O-CD2 3.28Å; R642-Y644 WeakPolarHBondContact O-CE2 3.36Å; R642-Y644 PolarHBondContact O-N 2.91Å; R642-Y644 VanDerWaalsContact O-N 3.09Å; Y644-L648 WeakPolarHBondContact O-CB 3.38Å; Y644-L648 VanDerWaalsContact O-CG 3.31Å; Y644-L648 WeakPolarHBondContact O-CG 3.33Å; Y644-L648 PolarHBondContact O-N 3.38Å; Y644-F872 HydrophobicContact CG-CD1 4.44Å; Y644-F872 HydrophobicContact CG-CE1 4.37Å; Y644-F873 HydrophobicContact CD1-CE2 4.06Å; Y644-F873 AromaticContact CD1-CZ 3.75Å; Y644-F873 HydrophobicContact CD1-CZ 3.75Å; Y644-F873 HydrophobicContact CE1-CE2 4.42Å; Y644-F873 HydrophobicContact CE1-CZ 4.49Å; Y644-F873 HydrophobicContact CG-CZ 4.33Å
645	E	76	Confident	77.7	Confident	157 Å²	157	68.7 Å²	68.7	73%	0.734	32%	0.32	S	S	*	.	H	α-helix	trans	-67.6	-43.5	172.9	-61.6	-169.3	151.8	0	0	113.1	R643 V647 L648 H649	R643-E645 PolarHBondContact O-N 3.25Å; E645-V647 VanDerWaalsContact C-N 3.33Å; E645-L648 PolarHBondContact O-N 2.73Å; E645-H649 WeakPolarHBondContact O-CB 3.34Å; E645-H649 PolarHBondContact O-N 3.17Å
646	E	78.7	Confident	76.6	Confident	73 Å²	73	69.8 Å²	69.8	34%	0.341	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-44.5	175.5	-171.2	177.4	178.6	0	0	109.6	A638 R643 H649 M650	A638-E646 HydrophobicContact CB-CB 4.28Å; A638-E646 HydrophobicContact CB-CG 4.15Å; R643-E646 HydrophobicContact CB-CB 3.95Å; R643-E646 WeakPolarHBondContact CD-OE2 3.37Å; R643-E646 IonicContact CZ-OE2 3.9Å; R643-E646 IonicContact NE-OE2 2.72Å; R643-E646 IonicContact NH1-OE1 2.72Å; R643-E646 IonicContact NH1-OE2 2.91Å; R643-E646 PolarHBondContact NH1-OE2 2.63Å; R643-E646 PolarHBondContact O-N 2.77Å; R643-E646 VanDerWaalsContact O-N 3.09Å; E646-H649 PolarHBondContact O-N 3.45Å; E646-M650 HydrophobicContact CG-SD 4.38Å; E646-M650 WeakPolarHBondContact O-CB 3.4Å; E646-M650 VanDerWaalsContact O-CG 3.24Å; E646-M650 WeakPolarHBondContact O-CG 3.46Å; E646-M650 PolarHBondContact O-N 3.49Å
647	V	78.1	Confident	75.2	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-57.3	-51.1	173	172.4	0	0	0	0	111.3	F635 A638 L639 R643 E645 H649 M650 V651 V673	F635-V647 HydrophobicContact CD2-CG1 4.35Å; F635-V647 HydrophobicContact CE2-CG1 3.7Å; F635-V647 HydrophobicContact CZ-CG1 4.22Å; A638-V647 HydrophobicContact CB-CG2 3.79Å; L639-V647 HydrophobicContact CB-CG2 4.39Å; R643-V647 WeakPolarHBondContact O-CG2 3.23Å; R643-V647 PolarHBondContact O-N 3.11Å; E645-V647 VanDerWaalsContact C-N 3.33Å; V647-H649 PolarHBondContact O-N 2.82Å; V647-M650 PolarHBondContact O-N 2.82Å; V647-V651 HydrophobicContact CG1-CG2 4.28Å; V647-V651 WeakPolarHBondContact O-CG2 3.36Å; V647-V651 PolarHBondContact O-N 3.19Å; V647-V673 HydrophobicContact CG1-CG1 4.48Å
648	L	72.8	Confident	73.8	Confident	27 Å²	27	74.1 Å²	74.1	14%	0.141	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-36.6	179.8	-79	167.6	0	0	0	113.1	Y644 E645 R652 F873	Y644-L648 WeakPolarHBondContact O-CB 3.38Å; Y644-L648 VanDerWaalsContact O-CG 3.31Å; Y644-L648 WeakPolarHBondContact O-CG 3.33Å; Y644-L648 PolarHBondContact O-N 3.38Å; E645-L648 PolarHBondContact O-N 2.73Å; L648-R652 WeakPolarHBondContact O-CD 3.49Å; L648-R652 VanDerWaalsContact O-CG 3.25Å; L648-R652 WeakPolarHBondContact O-CG 3.41Å; L648-R652 PolarHBondContact O-N 3.42Å; L648-R652 VanDerWaalsContact O-N 3.13Å; L648-F873 HydrophobicContact CD1-CD1 4.41Å; L648-F873 HydrophobicContact CD1-CE1 4.07Å; L648-F873 HydrophobicContact CD2-CD1 4.26Å; L648-F873 HydrophobicContact CD2-CE1 3.97Å; L648-F873 HydrophobicContact CG-CE1 3.99Å
649	H	76.3	Confident	72.8	Confident	121 Å²	121	82.5 Å²	82.5	56%	0.56	40%	0.397	S	S	*	.	H	α-helix	trans	-64.4	-44.9	173.7	-173.1	107.9	0	0	0	110.7	E645 E646 V647 R652 N653	E645-H649 WeakPolarHBondContact O-CB 3.34Å; E645-H649 PolarHBondContact O-N 3.17Å; E646-H649 PolarHBondContact O-N 3.45Å; V647-H649 PolarHBondContact O-N 2.82Å; H649-R652 PolarHBondContact O-N 3.01Å; H649-N653 PolarHBondContact CD2-ND2 3.32Å; H649-N653 PolarHBondContact CE1-ND2 2.97Å; H649-N653 PolarHBondContact NE2-ND2 2.83Å; H649-N653 WeakPolarHBondContact O-CB 3.45Å; H649-N653 PolarHBondContact O-N 3.03Å
650	M	75.9	Confident	72.1	Confident	24 Å²	24	85.8 Å²	85.8	12%	0.118	43%	0.425	C	S	.	.	H	α-helix	trans	-62.8	-43.8	175.6	-68.9	178.1	76.8	0	0	112	T631 R634 F635 E646 V647 R652 N653 S654	T631-M650 HydrophobicContact CG2-CE 3.41Å; T631-M650 VanDerWaalsContact CG2-CE 3.41Å; T631-M650 VanDerWaalsContact O-CE 3.26Å; T631-M650 WeakPolarHBondContact O-CE 3.22Å; R634-M650 HydrophobicContact CB-CE 3.91Å; R634-M650 HydrophobicContact CB-SD 4.49Å; F635-M650 HydrophobicContact CB-CE 3.91Å; F635-M650 HydrophobicContact CB-SD 4.43Å; E646-M650 HydrophobicContact CG-SD 4.38Å; E646-M650 WeakPolarHBondContact O-CB 3.4Å; E646-M650 VanDerWaalsContact O-CG 3.24Å; E646-M650 WeakPolarHBondContact O-CG 3.46Å; E646-M650 PolarHBondContact O-N 3.49Å; V647-M650 PolarHBondContact O-N 2.82Å; M650-R652 VanDerWaalsContact C-N 3.27Å; M650-R652 PolarHBondContact O-N 3.29Å; M650-N653 PolarHBondContact O-N 3.31Å; M650-S654 WeakPolarHBondContact O-CB 3.34Å; M650-S654 PolarHBondContact O-N 3.11Å; M650-S654 PolarHBondContact O-OG 2.94Å
651	V	69.4	Low	71.6	Confident	30 Å²	30	83 Å²	83	18%	0.182	41%	0.411	C	S	.	.	H	α-helix	trans	-57.4	-40.4	176.6	177	0	0	0	0	111.5	F635 V647 H676 F677	F635-V651 HydrophobicContact CE2-CG2 4.01Å; V647-V651 HydrophobicContact CG1-CG2 4.28Å; V647-V651 WeakPolarHBondContact O-CG2 3.36Å; V647-V651 PolarHBondContact O-N 3.19Å; V651-H676 HydrophobicContact CG1-CB 4.25Å; V651-F677 HydrophobicContact CB-CE1 4.49Å; V651-F677 HydrophobicContact CB-CZ 4.14Å; V651-F677 HydrophobicContact CG1-CE1 4.16Å; V651-F677 HydrophobicContact CG1-CE2 4.35Å; V651-F677 HydrophobicContact CG1-CZ 4.01Å; V651-F677 HydrophobicContact CG2-CE1 4.3Å; V651-F677 HydrophobicContact CG2-CE2 3.94Å; V651-F677 HydrophobicContact CG2-CZ 3.5Å; V651-F677 VanDerWaalsContact CG2-CZ 3.5Å
652	R	66.8	Low	70.9	Confident	141 Å²	141	80.2 Å²	80.2	53%	0.532	40%	0.396	S	S	.	.	H	α-helix	trans	-76.7	-36.9	-178	-69.6	168.7	-172.8	177.8	5.7	113.3	L648 H649 M650	L648-R652 WeakPolarHBondContact O-CD 3.49Å; L648-R652 VanDerWaalsContact O-CG 3.25Å; L648-R652 WeakPolarHBondContact O-CG 3.41Å; L648-R652 PolarHBondContact O-N 3.42Å; L648-R652 VanDerWaalsContact O-N 3.13Å; H649-R652 PolarHBondContact O-N 3.01Å; M650-R652 VanDerWaalsContact C-N 3.27Å; M650-R652 PolarHBondContact O-N 3.29Å
653	N	70.6	Confident	70.4	Confident	113 Å²	113	73 Å²	73	60%	0.604	38%	0.379	S	S	*	.	H	α-helix	trans	-114.4	-9.4	-163.8	-63.3	-11.6	0	0	0	115.1	H649 M650	H649-N653 PolarHBondContact CD2-ND2 3.32Å; H649-N653 PolarHBondContact CE1-ND2 2.97Å; H649-N653 PolarHBondContact NE2-ND2 2.83Å; H649-N653 WeakPolarHBondContact O-CB 3.45Å; H649-N653 PolarHBondContact O-N 3.03Å; M650-N653 PolarHBondContact O-N 3.31Å
654	S	63.7	Low	70.2	Confident	33 Å²	33	68.4 Å²	68.4	23%	0.231	36%	0.362	C	S	.	.	S	Bend	trans	-121	142.3	-174.8	72.8	0	0	0	0	113.3	T631 M650 L656	T631-S654 VanDerWaalsContact CG2-OG 3.3Å; T631-S654 WeakPolarHBondContact CG2-OG 3.36Å; M650-S654 WeakPolarHBondContact O-CB 3.34Å; M650-S654 PolarHBondContact O-N 3.11Å; M650-S654 PolarHBondContact O-OG 2.94Å; S654-L656 PolarHBondContact O-N 2.85Å
655	N	62.4	Low	70.1	Confident	166 Å²	166	65.8 Å²	65.8	89%	0.888	35%	0.352	S	S	*	.			trans	-78	58.1	-175.4	-73.2	-35.3	0	0	0	112.6	V657	N655-V657 PolarHBondContact O-N 2.87Å
656	L	63.6	Low	69.9	Low	24 Å²	24	62.8 Å²	62.8	13%	0.126	34%	0.338	C	S	.	.			trans	-63.1	128	175.4	-73.6	175.7	0	0	0	111	T631 F635 S654 G658 I661 F677	T631-L656 HydrophobicContact CG2-CD2 3.41Å; T631-L656 VanDerWaalsContact CG2-CD2 3.41Å; T631-L656 HydrophobicContact CG2-CG 4.02Å; F635-L656 HydrophobicContact CD2-CD1 3.59Å; F635-L656 HydrophobicContact CE2-CD1 3.99Å; F635-L656 HydrophobicContact CG-CD1 4.14Å; S654-L656 PolarHBondContact O-N 2.85Å; L656-G658 PolarHBondContact O-N 3.48Å; L656-I661 HydrophobicContact CB-CD1 3.79Å; L656-I661 HydrophobicContact CD1-CD1 4.43Å; L656-I661 HydrophobicContact CD2-CD1 3.66Å; L656-I661 HydrophobicContact CG-CD1 4.15Å; L656-F677 HydrophobicContact CB-CE1 3.82Å; L656-F677 HydrophobicContact CD1-CE1 3.71Å; L656-F677 HydrophobicContact CD1-CZ 3.79Å; L656-F677 HydrophobicContact CG-CE1 4.41Å
657	V	58.5	Low	69.7	Low	118 Å²	118	68.3 Å²	68.3	72%	0.715	36%	0.361	S	S	*	.			trans	-75	89.3	-179	-176.3	0	0	0	0	109.7	N655 Q659 A660	N655-V657 PolarHBondContact O-N 2.87Å; V657-Q659 PolarHBondContact O-N 3.09Å; V657-A660 PolarHBondContact O-N 3.03Å
658	G	57	Low	69.7	Low	18 Å²	18	72.3 Å²	72.3	19%	0.186	38%	0.378	C	S	.	.	H	α-helix	trans	-42.6	-56.3	-163.7	0	0	0	0	0	116	L656 A660 I661 I662	L656-G658 PolarHBondContact O-N 3.48Å; G658-A660 VanDerWaalsContact C-N 3.33Å; G658-A660 PolarHBondContact O-N 3.35Å; G658-A660 VanDerWaalsContact O-N 3.15Å; G658-I661 CarbonylContact O-C 3.42Å; G658-I661 WeakPolarHBondContact O-CA 3.37Å; G658-I661 PolarHBondContact O-N 2.89Å; G658-I662 WeakPolarHBondContact O-CB 3.37Å; G658-I662 VanDerWaalsContact O-CG1 3.3Å; G658-I662 WeakPolarHBondContact O-CG1 3.42Å; G658-I662 PolarHBondContact O-N 3.26Å
659	Q	65.8	Low	69.6	Low	176 Å²	176	73.5 Å²	73.5	82%	0.822	40%	0.397	S	S	*	.	H	α-helix	trans	-53.5	-41.8	-168.8	-72.2	-178.7	-21	0	0	114.8	V657 I661 G663	V657-Q659 PolarHBondContact O-N 3.09Å; Q659-I661 VanDerWaalsContact C-N 3.29Å; Q659-I661 PolarHBondContact O-N 3.4Å; Q659-G663 PolarHBondContact O-N 3.22Å
660	A	67.3	Low	69.6	Low	75 Å²	75	71.5 Å²	71.5	62%	0.62	39%	0.385	S	S	*	.	H	α-helix	trans	-73.9	-22.7	-179.9	0	0	0	0	0	113.1	V657 G658 Y664	V657-A660 PolarHBondContact O-N 3.03Å; G658-A660 VanDerWaalsContact C-N 3.33Å; G658-A660 PolarHBondContact O-N 3.35Å; G658-A660 VanDerWaalsContact O-N 3.15Å; A660-Y664 WeakPolarHBondContact O-CB 3.34Å
661	I	73.7	Confident	69.3	Low	5 Å²	5	72.1 Å²	72.1	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-90.7	-37.2	179.6	-70.2	161.9	0	0	0	110.6	F635 L656 G658 Q659 Y664 L665 F677	F635-I661 HydrophobicContact CD1-CG2 4.25Å; F635-I661 HydrophobicContact CE1-CG2 3.61Å; F635-I661 HydrophobicContact CZ-CG2 3.91Å; L656-I661 HydrophobicContact CB-CD1 3.79Å; L656-I661 HydrophobicContact CD1-CD1 4.43Å; L656-I661 HydrophobicContact CD2-CD1 3.66Å; L656-I661 HydrophobicContact CG-CD1 4.15Å; G658-I661 CarbonylContact O-C 3.42Å; G658-I661 WeakPolarHBondContact O-CA 3.37Å; G658-I661 PolarHBondContact O-N 2.89Å; Q659-I661 VanDerWaalsContact C-N 3.29Å; Q659-I661 PolarHBondContact O-N 3.4Å; I661-Y664 CarbonylContact O-C 3.57Å; I661-Y664 WeakPolarHBondContact O-CB 3.24Å; I661-Y664 PolarHBondContact O-N 2.93Å; I661-Y664 VanDerWaalsContact O-N 3.15Å; I661-L665 HydrophobicContact CG2-CD1 3.85Å; I661-L665 HydrophobicContact CG2-CG 4.25Å; I661-L665 WeakPolarHBondContact O-CB 3.48Å; I661-L665 VanDerWaalsContact O-CG 3.28Å; I661-L665 WeakPolarHBondContact O-CG 3.47Å; I661-L665 PolarHBondContact O-N 2.67Å; I661-F677 HydrophobicContact CG2-CE2 4.17Å; I661-F677 HydrophobicContact CG2-CZ 4.24Å
662	I	70	Confident	69.3	Low	20 Å²	20	73.2 Å²	73.2	10%	0.103	39%	0.394	C	S	.	.	H	α-helix	trans	-53.3	-58.3	169.3	-71.2	160.9	0	0	0	109.5	G658 Y664 L665 E666 A674 F677 V678 L687	G658-I662 WeakPolarHBondContact O-CB 3.37Å; G658-I662 VanDerWaalsContact O-CG1 3.3Å; G658-I662 WeakPolarHBondContact O-CG1 3.42Å; G658-I662 PolarHBondContact O-N 3.26Å; I662-Y664 PolarHBondContact O-N 2.64Å; I662-Y664 VanDerWaalsContact O-N 3.13Å; I662-L665 PolarHBondContact O-N 3.04Å; I662-E666 HydrophobicContact CG2-CG 4.41Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.35Å; I662-E666 WeakPolarHBondContact O-CB 3.25Å; I662-E666 WeakPolarHBondContact O-CG 3.07Å; I662-E666 PolarHBondContact O-N 3.38Å; I662-A674 HydrophobicContact CG1-CB 4.43Å; I662-A674 HydrophobicContact CG2-CB 4.3Å; I662-F677 HydrophobicContact CD1-CB 3.93Å; I662-F677 HydrophobicContact CG1-CB 3.82Å; I662-V678 HydrophobicContact CD1-CB 4.4Å; I662-V678 HydrophobicContact CD1-CG2 3.5Å; I662-V678 HydrophobicContact CG1-CG2 3.91Å; I662-V678 HydrophobicContact CG2-CG2 4.39Å; I662-L687 HydrophobicContact CG2-CD1 4.12Å
663	G	71.3	Confident	69.6	Low	34 Å²	34	66.7 Å²	66.7	35%	0.351	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-18.7	178.1	0	0	0	0	0	115.1	Q659 E666 K667	Q659-G663 PolarHBondContact O-N 3.22Å; G663-E666 WeakPolarHBondContact CA-OE2 3.24Å; G663-K667 VanDerWaalsContact O-CB 3.27Å; G663-K667 WeakPolarHBondContact O-CB 3.47Å; G663-K667 PolarHBondContact O-N 3.38Å
664	Y	77.8	Confident	69.5	Low	25 Å²	25	61.3 Å²	61.3	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-80.3	-42.2	171	171.1	-89.9	0	0	0	111.8	D593 K636 L639 A660 I661 I662 K667 K668	D593-Y664 PolarHBondContact OD2-OH 3.38Å; K636-Y664 HydrophobicContact CD-CD1 4.49Å; K636-Y664 HydrophobicContact CD-CD2 4.24Å; K636-Y664 HydrophobicContact CD-CE1 4.08Å; K636-Y664 HydrophobicContact CD-CE2 3.77Å; K636-Y664 HydrophobicContact CG-CD1 4.33Å; K636-Y664 HydrophobicContact CG-CE1 3.73Å; K636-Y664 HydrophobicContact CG-CE2 4.32Å; L639-Y664 HydrophobicContact CD2-CE1 3.91Å; A660-Y664 WeakPolarHBondContact O-CB 3.34Å; I661-Y664 CarbonylContact O-C 3.57Å; I661-Y664 WeakPolarHBondContact O-CB 3.24Å; I661-Y664 PolarHBondContact O-N 2.93Å; I661-Y664 VanDerWaalsContact O-N 3.15Å; I662-Y664 PolarHBondContact O-N 2.64Å; I662-Y664 VanDerWaalsContact O-N 3.13Å; Y664-K667 PolarHBondContact O-N 2.93Å; Y664-K668 HydrophobicContact CD1-CG 4.42Å; Y664-K668 HydrophobicContact CD2-CG 4.43Å; Y664-K668 HydrophobicContact CE1-CG 4.04Å; Y664-K668 HydrophobicContact CE2-CD 4.31Å; Y664-K668 VanDerWaalsContact CE2-CE 3.44Å; Y664-K668 HydrophobicContact CE2-CG 4.08Å; Y664-K668 WeakPolarHBondContact O-CB 3.45Å; Y664-K668 WeakPolarHBondContact O-CG 3.47Å; Y664-K668 PolarHBondContact O-N 2.87Å
665	L	77.5	Confident	69.9	Low	0 Å²	0	60 Å²	60	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-66.9	-47.1	177.2	-72.2	167.9	0	0	0	111.1	F635 L639 I661 I662 K667 K668 G669 Y670 V673 A674 F677	F635-L665 HydrophobicContact CE1-CD1 4.46Å; F635-L665 HydrophobicContact CE1-CD2 4.09Å; F635-L665 HydrophobicContact CE1-CG 4.41Å; F635-L665 HydrophobicContact CZ-CD1 4.11Å; F635-L665 HydrophobicContact CZ-CD2 4.1Å; F635-L665 HydrophobicContact CZ-CG 4.46Å; L639-L665 HydrophobicContact CD2-CD2 3.89Å; I661-L665 HydrophobicContact CG2-CD1 3.85Å; I661-L665 HydrophobicContact CG2-CG 4.25Å; I661-L665 WeakPolarHBondContact O-CB 3.48Å; I661-L665 VanDerWaalsContact O-CG 3.28Å; I661-L665 WeakPolarHBondContact O-CG 3.47Å; I661-L665 PolarHBondContact O-N 2.67Å; I662-L665 PolarHBondContact O-N 3.04Å; L665-K667 PolarHBondContact O-N 3.39Å; L665-K668 CarbonylContact O-C 3.49Å; L665-K668 PolarHBondContact O-N 3.46Å; L665-K668 VanDerWaalsContact O-N 3.09Å; L665-G669 PolarHBondContact O-N 2.9Å; L665-Y670 HydrophobicContact CD2-CD2 4.41Å; L665-Y670 PolarHBondContact O-N 3.48Å; L665-V673 HydrophobicContact CD1-CB 4.27Å; L665-V673 HydrophobicContact CD1-CG1 4Å; L665-V673 HydrophobicContact CD2-CB 4.39Å; L665-V673 HydrophobicContact CD2-CG1 4.24Å; L665-A674 HydrophobicContact CB-CB 4.03Å; L665-A674 HydrophobicContact CD1-CB 4.17Å; L665-F677 HydrophobicContact CD1-CD2 4.02Å; L665-F677 HydrophobicContact CD1-CE2 3.77Å
666	E	70.8	Confident	70.2	Confident	94 Å²	94	57 Å²	57	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-49	-55.6	170.2	-73.2	168.3	-176.6	0	0	110.9	I662 G663 K668 G669 L687	I662-E666 HydrophobicContact CG2-CG 4.41Å; I662-E666 WeakPolarHBondContact CG2-OE1 3.35Å; I662-E666 WeakPolarHBondContact O-CB 3.25Å; I662-E666 WeakPolarHBondContact O-CG 3.07Å; I662-E666 PolarHBondContact O-N 3.38Å; G663-E666 WeakPolarHBondContact CA-OE2 3.24Å; E666-K668 PolarHBondContact O-N 3.37Å; E666-G669 PolarHBondContact O-N 3.09Å; E666-L687 HydrophobicContact CG-CD2 3.97Å
667	K	75.3	Confident	70.3	Confident	190 Å²	190	57.3 Å²	57.3	83%	0.826	31%	0.312	S	S	*	.	H	α-helix	trans	-65	-21.7	-179.1	-175.8	170.2	-179.2	177.4	0	114.1	G663 Y664 L665	G663-K667 VanDerWaalsContact O-CB 3.27Å; G663-K667 WeakPolarHBondContact O-CB 3.47Å; G663-K667 PolarHBondContact O-N 3.38Å; Y664-K667 PolarHBondContact O-N 2.93Å; L665-K667 PolarHBondContact O-N 3.39Å
668	K	77.8	Confident	70.9	Confident	84 Å²	84	52.1 Å²	52.1	37%	0.365	28%	0.281	S	S	.	.	H	α-helix	trans	-95.1	-4.5	176.6	-65.9	-86.5	173.5	155.8	0	113	D593 Y664 L665 E666 Y670	D593-K668 IonicContact OD1-NZ 2.68Å; D593-K668 PolarHBondContact OD1-NZ 3.27Å; D593-K668 IonicContact OD2-NZ 3.88Å; D593-K668 PolarHBondContact OD2-NZ 3.47Å; Y664-K668 HydrophobicContact CD1-CG 4.42Å; Y664-K668 HydrophobicContact CD2-CG 4.43Å; Y664-K668 HydrophobicContact CE1-CG 4.04Å; Y664-K668 HydrophobicContact CE2-CD 4.31Å; Y664-K668 VanDerWaalsContact CE2-CE 3.44Å; Y664-K668 HydrophobicContact CE2-CG 4.08Å; Y664-K668 WeakPolarHBondContact O-CB 3.45Å; Y664-K668 WeakPolarHBondContact O-CG 3.47Å; Y664-K668 PolarHBondContact O-N 2.87Å; L665-K668 CarbonylContact O-C 3.49Å; L665-K668 PolarHBondContact O-N 3.46Å; L665-K668 VanDerWaalsContact O-N 3.09Å; E666-K668 PolarHBondContact O-N 3.37Å; K668-Y670 HydrophobicContact CB-CD2 3.81Å; K668-Y670 HydrophobicContact CB-CE2 4Å
669	G	71.1	Confident	71.5	Confident	53 Å²	53	60.8 Å²	60.8	55%	0.546	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	27.5	178.6	0	0	0	0	0	115.3	L665 E666 P671	L665-G669 PolarHBondContact O-N 2.9Å; E666-G669 PolarHBondContact O-N 3.09Å; G669-P671 WeakPolarHBondContact O-CD 3.47Å
670	Y	75.1	Confident	72	Confident	78 Å²	78	56.5 Å²	56.5	31%	0.306	30%	0.296	S	S	.	.			trans	-120.3	55.2	-180	-57.5	-67.5	0	0	0	113.4	L639 L665 K668 E672 V673 A674	L639-Y670 HydrophobicContact CD1-CD2 4.24Å; L639-Y670 HydrophobicContact CD1-CE2 4.16Å; L639-Y670 HydrophobicContact CD2-CD2 3.95Å; L639-Y670 HydrophobicContact CD2-CE2 3.98Å; L639-Y670 HydrophobicContact CG-CD2 4.47Å; L639-Y670 HydrophobicContact CG-CE2 4.19Å; L665-Y670 HydrophobicContact CD2-CD2 4.41Å; L665-Y670 PolarHBondContact O-N 3.48Å; K668-Y670 HydrophobicContact CB-CD2 3.81Å; K668-Y670 HydrophobicContact CB-CE2 4Å; Y670-E672 VanDerWaalsContact C-N 3.35Å; Y670-E672 PolarHBondContact O-N 3.27Å; Y670-V673 PolarHBondContact O-N 3.33Å; Y670-A674 PolarHBondContact O-N 3.43Å
671	P	70.1	Confident	72.8	Confident	37 Å²	37	55.1 Å²	55.1	24%	0.24	28%	0.28	C	S	.	.	H	α-helix	trans	-68.5	-28.8	-174.1	32	-37.6	0	0	0	113.5	G669 V673 A674 L675 L687 C691	G669-P671 WeakPolarHBondContact O-CD 3.47Å; P671-V673 PolarHBondContact O-N 2.73Å; P671-A674 CarbonylContact O-C 3.58Å; P671-A674 WeakPolarHBondContact O-CA 3.18Å; P671-A674 VanDerWaalsContact O-CB 3.3Å; P671-A674 WeakPolarHBondContact O-CB 3.17Å; P671-A674 PolarHBondContact O-N 2.95Å; P671-A674 VanDerWaalsContact O-N 3.1Å; P671-L675 PolarHBondContact O-N 2.88Å; P671-L687 HydrophobicContact CB-CD2 3.95Å; P671-C691 VanDerWaalsContact CB-SG 3.56Å
672	E	69.9	Low	73.3	Confident	53 Å²	53	61.8 Å²	61.8	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-46	172.2	-65.5	170.3	-152.5	0	0	112.1	Y670 A674 L675	Y670-E672 VanDerWaalsContact C-N 3.35Å; Y670-E672 PolarHBondContact O-N 3.27Å; E672-A674 PolarHBondContact O-N 3.07Å; E672-L675 WeakPolarHBondContact O-CB 3.45Å; E672-L675 PolarHBondContact O-N 2.81Å
673	V	71.5	Confident	73.7	Confident	4 Å²	4	64.2 Å²	64.2	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-65.2	-33.1	176.4	-172.7	0	0	0	0	110.3	V647 L665 Y670 P671 F677 F873	V647-V673 HydrophobicContact CG1-CG1 4.48Å; L665-V673 HydrophobicContact CD1-CB 4.27Å; L665-V673 HydrophobicContact CD1-CG1 4Å; L665-V673 HydrophobicContact CD2-CB 4.39Å; L665-V673 HydrophobicContact CD2-CG1 4.24Å; Y670-V673 PolarHBondContact O-N 3.33Å; P671-V673 PolarHBondContact O-N 2.73Å; V673-F677 HydrophobicContact CG1-CE2 4.47Å; V673-F677 VanDerWaalsContact O-CD2 3.29Å; V673-F677 WeakPolarHBondContact O-CD2 3.48Å; V673-F873 HydrophobicContact CG2-CD1 4.45Å; V673-F873 HydrophobicContact CG2-CD2 4.15Å; V673-F873 HydrophobicContact CG2-CE1 3.98Å; V673-F873 HydrophobicContact CG2-CE2 3.65Å; V673-F873 HydrophobicContact CG2-CZ 3.55Å
674	A	69.3	Low	74.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-39.1	174.6	0	0	0	0	0	112.2	I662 L665 Y670 P671 E672 H676 F677 V678 L687	I662-A674 HydrophobicContact CG1-CB 4.43Å; I662-A674 HydrophobicContact CG2-CB 4.3Å; L665-A674 HydrophobicContact CB-CB 4.03Å; L665-A674 HydrophobicContact CD1-CB 4.17Å; Y670-A674 PolarHBondContact O-N 3.43Å; P671-A674 CarbonylContact O-C 3.58Å; P671-A674 WeakPolarHBondContact O-CA 3.18Å; P671-A674 VanDerWaalsContact O-CB 3.3Å; P671-A674 WeakPolarHBondContact O-CB 3.17Å; P671-A674 PolarHBondContact O-N 2.95Å; P671-A674 VanDerWaalsContact O-N 3.1Å; E672-A674 PolarHBondContact O-N 3.07Å; A674-H676 PolarHBondContact O-N 3.46Å; A674-H676 VanDerWaalsContact O-N 3.13Å; A674-F677 WeakPolarHBondContact O-CB 3.4Å; A674-F677 PolarHBondContact O-N 3.18Å; A674-V678 WeakPolarHBondContact O-CG2 3.44Å; A674-L687 HydrophobicContact CB-CD1 4.31Å; A674-L687 HydrophobicContact CB-CD2 4.5Å
675	L	72.8	Confident	74.6	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.037	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-29.5	-178.5	-169.6	66.1	0	0	0	113.4	P671 E672 F677 V678 R684 L687 A688 V696	P671-L675 PolarHBondContact O-N 2.88Å; E672-L675 WeakPolarHBondContact O-CB 3.45Å; E672-L675 PolarHBondContact O-N 2.81Å; L675-F677 VanDerWaalsContact C-N 3.33Å; L675-F677 PolarHBondContact O-N 2.96Å; L675-V678 PolarHBondContact O-N 3.36Å; L675-R684 HydrophobicContact CD1-CG 3.89Å; L675-R684 WeakPolarHBondContact CD1-O 3.3Å; L675-R684 PolarHBondContact O-NH1 2.71Å; L675-L687 HydrophobicContact CD1-CB 3.81Å; L675-A688 HydrophobicContact CD1-CB 4.23Å; L675-V696 HydrophobicContact CD1-CG1 4.27Å; L675-V696 HydrophobicContact CD2-CB 4.43Å; L675-V696 HydrophobicContact CD2-CG1 4.12Å; L675-V696 HydrophobicContact CD2-CG2 4.43Å; L675-V696 HydrophobicContact CG-CG1 4.48Å
676	H	68.1	Low	74.9	Confident	103 Å²	103	66.3 Å²	66.3	48%	0.477	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24	173.8	-73.3	-55.7	0	0	0	114.6	V651 A674	V651-H676 HydrophobicContact CG1-CB 4.25Å; A674-H676 PolarHBondContact O-N 3.46Å; A674-H676 VanDerWaalsContact O-N 3.13Å
677	F	65.6	Low	75.4	Confident	30 Å²	30	62.2 Å²	62.2	13%	0.132	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.6	177.1	-69	-79.4	0	0	0	113.4	F635 V651 L656 I661 I662 L665 V673 A674 L675 K679	F635-F677 HydrophobicContact CE2-CE2 4.29Å; F635-F677 AromaticContact CE2-CZ 3.84Å; F635-F677 HydrophobicContact CE2-CZ 3.84Å; F635-F677 HydrophobicContact CZ-CE2 4.11Å; F635-F677 HydrophobicContact CZ-CZ 4.05Å; V651-F677 HydrophobicContact CB-CE1 4.49Å; V651-F677 HydrophobicContact CB-CZ 4.14Å; V651-F677 HydrophobicContact CG1-CE1 4.16Å; V651-F677 HydrophobicContact CG1-CE2 4.35Å; V651-F677 HydrophobicContact CG1-CZ 4.01Å; V651-F677 HydrophobicContact CG2-CE1 4.3Å; V651-F677 HydrophobicContact CG2-CE2 3.94Å; V651-F677 HydrophobicContact CG2-CZ 3.5Å; V651-F677 VanDerWaalsContact CG2-CZ 3.5Å; L656-F677 HydrophobicContact CB-CE1 3.82Å; L656-F677 HydrophobicContact CD1-CE1 3.71Å; L656-F677 HydrophobicContact CD1-CZ 3.79Å; L656-F677 HydrophobicContact CG-CE1 4.41Å; I661-F677 HydrophobicContact CG2-CE2 4.17Å; I661-F677 HydrophobicContact CG2-CZ 4.24Å; I662-F677 HydrophobicContact CD1-CB 3.93Å; I662-F677 HydrophobicContact CG1-CB 3.82Å; L665-F677 HydrophobicContact CD1-CD2 4.02Å; L665-F677 HydrophobicContact CD1-CE2 3.77Å; V673-F677 HydrophobicContact CG1-CE2 4.47Å; V673-F677 VanDerWaalsContact O-CD2 3.29Å; V673-F677 WeakPolarHBondContact O-CD2 3.48Å; A674-F677 WeakPolarHBondContact O-CB 3.4Å; A674-F677 PolarHBondContact O-N 3.18Å; L675-F677 VanDerWaalsContact C-N 3.33Å; L675-F677 PolarHBondContact O-N 2.96Å; F677-K679 PolarHBondContact O-N 3.17Å
678	V	70.2	Confident	75.8	Confident	8 Å²	8	53.2 Å²	53.2	5%	0.048	27%	0.265	C	S	.	.			trans	-92.4	103.3	-162.9	-169.6	0	0	0	0	111.2	I662 A674 L675 T683 R684 L687	I662-V678 HydrophobicContact CD1-CB 4.4Å; I662-V678 HydrophobicContact CD1-CG2 3.5Å; I662-V678 HydrophobicContact CG1-CG2 3.91Å; I662-V678 HydrophobicContact CG2-CG2 4.39Å; A674-V678 WeakPolarHBondContact O-CG2 3.44Å; L675-V678 PolarHBondContact O-N 3.36Å; V678-T683 WeakPolarHBondContact CG1-OG1 3.2Å; V678-R684 HydrophobicContact CB-CB 4.31Å; V678-R684 HydrophobicContact CG1-CB 3.92Å; V678-R684 VanDerWaalsContact CG1-N 3.32Å; V678-L687 HydrophobicContact CB-CD1 4.44Å; V678-L687 HydrophobicContact CG2-CD1 3.39Å
679	K	70.2	Confident	76.1	Confident	201 Å²	201	49.4 Å²	49.4	87%	0.874	25%	0.249	S	C	*	.			trans	-87.1	-22.9	175.9	-63.3	-171	179.8	-174.5	0	114.3	F677 T681	F677-K679 PolarHBondContact O-N 3.17Å; K679-T681 PolarHBondContact O-N 2.63Å
680	D	77.4	Confident	76.4	Confident	86 Å²	86	51.7 Å²	51.7	46%	0.46	25%	0.249	S	C	.	.	S	Bend	trans	-75.5	123.9	175.9	158.1	55.2	0	0	0	109.8	R682 T683 R684	D680-R682 VanDerWaalsContact C-N 3.26Å; D680-R682 PolarHBondContact O-N 2.72Å; D680-R682 PolarHBondContact OD1-N 3.05Å; D680-T683 WeakPolarHBondContact CB-OG1 3.37Å; D680-T683 PolarHBondContact O-N 2.95Å; D680-T683 PolarHBondContact O-OG1 3.34Å; D680-T683 WeakPolarHBondContact OD2-CB 3.29Å; D680-T683 WeakPolarHBondContact OD2-CG2 3.43Å; D680-T683 PolarHBondContact OD2-N 3.42Å; D680-T683 PolarHBondContact OD2-OG1 3.18Å; D680-R684 WeakPolarHBondContact O-CB 3.28Å; D680-R684 PolarHBondContact O-N 3.49Å
681	T	83.9	Confident	76.4	Confident	45 Å²	45	49.5 Å²	49.5	28%	0.276	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-33.6	-174.5	-38.1	0	0	0	0	112.7	K679 F685 A700 A703 L704	K679-T681 PolarHBondContact O-N 2.63Å; T681-F685 VanDerWaalsContact O-CB 3.32Å; T681-F685 WeakPolarHBondContact O-CB 3.46Å; T681-F685 PolarHBondContact O-N 2.68Å; T681-A700 HydrophobicContact CG2-CB 3.86Å; T681-A700 WeakPolarHBondContact CG2-O 3.41Å; T681-A703 HydrophobicContact CG2-CB 3.83Å; T681-L704 HydrophobicContact CG2-CD1 4.19Å; T681-L704 HydrophobicContact CG2-CD2 4.2Å; T681-L704 HydrophobicContact CG2-CG 3.73Å
682	R	83.2	Confident	76.8	Confident	145 Å²	145	48.5 Å²	48.5	55%	0.547	24%	0.241	S	C	.	.	H	α-helix	trans	-76.8	-42.5	-177	-174.6	170.9	-104.5	-178.6	-5.6	112.8	D680 F685 S686 L704 D706	D680-R682 VanDerWaalsContact C-N 3.26Å; D680-R682 PolarHBondContact O-N 2.72Å; D680-R682 PolarHBondContact OD1-N 3.05Å; R682-F685 PolarHBondContact O-N 2.79Å; R682-S686 PolarHBondContact O-N 2.86Å; R682-S686 VanDerWaalsContact O-N 3.11Å; R682-L704 HydrophobicContact CB-CD1 4.41Å; R682-L704 HydrophobicContact CB-CD2 4.11Å; R682-D706 IonicContact CZ-OD2 2.72Å; R682-D706 IonicContact NH2-OD2 2.84Å; R682-D706 PolarHBondContact NH2-OD2 3.06Å
683	T	78.6	Confident	77.4	Confident	71 Å²	71	47.9 Å²	47.9	44%	0.436	24%	0.238	S	C	.	.	H	α-helix	trans	-69.6	-35.8	171.5	45.9	0	0	0	0	111.9	V678 D680 F685 S686 L687	V678-T683 WeakPolarHBondContact CG1-OG1 3.2Å; D680-T683 WeakPolarHBondContact CB-OG1 3.37Å; D680-T683 PolarHBondContact O-N 2.95Å; D680-T683 PolarHBondContact O-OG1 3.34Å; D680-T683 WeakPolarHBondContact OD2-CB 3.29Å; D680-T683 WeakPolarHBondContact OD2-CG2 3.43Å; D680-T683 PolarHBondContact OD2-N 3.42Å; D680-T683 PolarHBondContact OD2-OG1 3.18Å; T683-F685 VanDerWaalsContact C-N 3.33Å; T683-F685 PolarHBondContact O-N 2.84Å; T683-S686 PolarHBondContact O-N 2.85Å; T683-L687 PolarHBondContact O-N 2.83Å
684	R	82.3	Confident	78	Confident	59 Å²	59	47.9 Å²	47.9	22%	0.223	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-41.8	171.6	-178.2	176.4	174.3	76	-4	111.3	L675 V678 D680 A688 V696 E699	L675-R684 HydrophobicContact CD1-CG 3.89Å; L675-R684 WeakPolarHBondContact CD1-O 3.3Å; L675-R684 PolarHBondContact O-NH1 2.71Å; V678-R684 HydrophobicContact CB-CB 4.31Å; V678-R684 HydrophobicContact CG1-CB 3.92Å; V678-R684 VanDerWaalsContact CG1-N 3.32Å; D680-R684 WeakPolarHBondContact O-CB 3.28Å; D680-R684 PolarHBondContact O-N 3.49Å; R684-A688 VanDerWaalsContact O-CB 3.28Å; R684-A688 WeakPolarHBondContact O-CB 3.45Å; R684-A688 PolarHBondContact O-N 2.81Å; R684-V696 HydrophobicContact CG-CG1 4.03Å; R684-V696 VanDerWaalsContact CZ-CG1 3.4Å; R684-E699 IonicContact CZ-OE2 3.81Å; R684-E699 IonicContact NE-OE2 3.05Å; R684-E699 PolarHBondContact NE-OE2 2.93Å; R684-E699 IonicContact NH2-OE2 2.72Å; R684-E699 PolarHBondContact NH2-OE2 2.85Å
685	F	86.1	Confident	78.8	Confident	8 Å²	8	51.1 Å²	51.1	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-51.5	174	-179.6	-103.6	0	0	0	111.9	T681 R682 T683 L687 A688 M689 G697 A700 A701 L704 C709 R712 L713	T681-F685 VanDerWaalsContact O-CB 3.32Å; T681-F685 WeakPolarHBondContact O-CB 3.46Å; T681-F685 PolarHBondContact O-N 2.68Å; R682-F685 PolarHBondContact O-N 2.79Å; T683-F685 VanDerWaalsContact C-N 3.33Å; T683-F685 PolarHBondContact O-N 2.84Å; F685-L687 PolarHBondContact O-N 3.21Å; F685-A688 PolarHBondContact O-N 3.14Å; F685-M689 HydrophobicContact CD1-CG 4.12Å; F685-M689 HydrophobicContact CD2-CE 4.41Å; F685-M689 HydrophobicContact CD2-CG 4.3Å; F685-M689 HydrophobicContact CE1-CG 3.63Å; F685-M689 HydrophobicContact CE1-SD 4.35Å; F685-M689 HydrophobicContact CE2-CE 3.88Å; F685-M689 HydrophobicContact CE2-CG 3.83Å; F685-M689 HydrophobicContact CE2-SD 3.74Å; F685-M689 HydrophobicContact CG-CG 4.42Å; F685-M689 HydrophobicContact CZ-CE 4.34Å; F685-M689 HydrophobicContact CZ-CG 3.45Å; F685-M689 VanDerWaalsContact CZ-CG 3.45Å; F685-M689 HydrophobicContact CZ-SD 3.57Å; F685-M689 VanDerWaalsContact CZ-SD 3.57Å; F685-M689 VanDerWaalsContact O-CG 3.31Å; F685-M689 WeakPolarHBondContact O-CG 3.29Å; F685-M689 PolarHBondContact O-N 2.69Å; F685-G697 WeakPolarHBondContact CD2-O 3.46Å; F685-A700 HydrophobicContact CB-CB 3.83Å; F685-A700 HydrophobicContact CD2-CB 4.18Å; F685-A701 HydrophobicContact CD2-CB 4.31Å; F685-A701 HydrophobicContact CE2-CB 4.04Å; F685-L704 HydrophobicContact CB-CD1 3.93Å; F685-L704 HydrophobicContact CG-CD1 4.32Å; F685-C709 HydrophobicContact CD1-CB 4.17Å; F685-C709 HydrophobicContact CE1-CB 3.79Å; F685-C709 HydrophobicContact CE2-CB 4.28Å; F685-C709 HydrophobicContact CZ-CB 3.87Å; F685-C709 WeakPolarHBondContact CZ-O 3.12Å; F685-R712 HydrophobicContact CE1-CB 4.31Å; F685-R712 HydrophobicContact CZ-CB 4.31Å; F685-L713 HydrophobicContact CE2-CB 4.2Å; F685-L713 HydrophobicContact CZ-CB 4.22Å
686	S	83.4	Confident	79.3	Confident	36 Å²	36	52 Å²	52	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-47.6	179.9	-160.2	0	0	0	0	111.4	R682 T683 A688 M689 D690 R712	R682-S686 PolarHBondContact O-N 2.86Å; R682-S686 VanDerWaalsContact O-N 3.11Å; T683-S686 PolarHBondContact O-N 2.85Å; S686-A688 VanDerWaalsContact C-N 3.31Å; S686-A688 PolarHBondContact O-N 2.99Å; S686-M689 CarbonylContact O-C 3.55Å; S686-M689 WeakPolarHBondContact O-CA 3.47Å; S686-M689 WeakPolarHBondContact O-CB 3.37Å; S686-M689 PolarHBondContact O-N 3.02Å; S686-D690 WeakPolarHBondContact O-CB 3.46Å; S686-D690 PolarHBondContact O-N 2.86Å; S686-D690 PolarHBondContact OG-OD2 2.71Å; S686-R712 PolarHBondContact OG-NH1 3.34Å; S686-R712 PolarHBondContact OG-NH2 3.04Å
687	L	80.9	Confident	80.1	Confident	9 Å²	9	47.1 Å²	47.1	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-39.5	177.8	-79.2	164.9	0	0	0	112.4	I662 E666 P671 A674 L675 V678 T683 F685 D690 C691	I662-L687 HydrophobicContact CG2-CD1 4.12Å; E666-L687 HydrophobicContact CG-CD2 3.97Å; P671-L687 HydrophobicContact CB-CD2 3.95Å; A674-L687 HydrophobicContact CB-CD1 4.31Å; A674-L687 HydrophobicContact CB-CD2 4.5Å; L675-L687 HydrophobicContact CD1-CB 3.81Å; V678-L687 HydrophobicContact CB-CD1 4.44Å; V678-L687 HydrophobicContact CG2-CD1 3.39Å; T683-L687 PolarHBondContact O-N 2.83Å; F685-L687 PolarHBondContact O-N 3.21Å; L687-D690 PolarHBondContact O-N 2.83Å; L687-C691 WeakPolarHBondContact O-CB 3.48Å; L687-C691 PolarHBondContact O-N 3.32Å; L687-C691 PolarHBondContact O-SG 3.06Å
688	A	84.3	Confident	81.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-37.3	174	0	0	0	0	0	112.6	L675 R684 F685 S686 G692 Q693 V696	L675-A688 HydrophobicContact CD1-CB 4.23Å; R684-A688 VanDerWaalsContact O-CB 3.28Å; R684-A688 WeakPolarHBondContact O-CB 3.45Å; R684-A688 PolarHBondContact O-N 2.81Å; F685-A688 PolarHBondContact O-N 3.14Å; S686-A688 VanDerWaalsContact C-N 3.31Å; S686-A688 PolarHBondContact O-N 2.99Å; A688-G692 CarbonylContact O-C 3.59Å; A688-G692 PolarHBondContact O-N 3.09Å; A688-Q693 PolarHBondContact O-N 3.06Å; A688-V696 HydrophobicContact CB-CB 4.03Å; A688-V696 HydrophobicContact CB-CG1 3.96Å
689	M	83.4	Confident	82	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-39.7	173.1	-67.3	-56.2	88.6	0	0	112.1	F685 S686 G692 L694 G697 R712 L713 L716	F685-M689 HydrophobicContact CD1-CG 4.12Å; F685-M689 HydrophobicContact CD2-CE 4.41Å; F685-M689 HydrophobicContact CD2-CG 4.3Å; F685-M689 HydrophobicContact CE1-CG 3.63Å; F685-M689 HydrophobicContact CE1-SD 4.35Å; F685-M689 HydrophobicContact CE2-CE 3.88Å; F685-M689 HydrophobicContact CE2-CG 3.83Å; F685-M689 HydrophobicContact CE2-SD 3.74Å; F685-M689 HydrophobicContact CG-CG 4.42Å; F685-M689 HydrophobicContact CZ-CE 4.34Å; F685-M689 HydrophobicContact CZ-CG 3.45Å; F685-M689 VanDerWaalsContact CZ-CG 3.45Å; F685-M689 HydrophobicContact CZ-SD 3.57Å; F685-M689 VanDerWaalsContact CZ-SD 3.57Å; F685-M689 VanDerWaalsContact O-CG 3.31Å; F685-M689 WeakPolarHBondContact O-CG 3.29Å; F685-M689 PolarHBondContact O-N 2.69Å; S686-M689 CarbonylContact O-C 3.55Å; S686-M689 WeakPolarHBondContact O-CA 3.47Å; S686-M689 WeakPolarHBondContact O-CB 3.37Å; S686-M689 PolarHBondContact O-N 3.02Å; M689-G692 PolarHBondContact O-N 3.18Å; M689-L694 HydrophobicContact CE-CD2 4.36Å; M689-G697 VanDerWaalsContact CE-CA 3.46Å; M689-R712 HydrophobicContact CG-CG 4.15Å; M689-R712 HydrophobicContact SD-CG 4.43Å; M689-L713 HydrophobicContact CE-CD1 3.6Å; M689-L713 HydrophobicContact SD-CB 4.39Å; M689-L713 HydrophobicContact SD-CD1 4.01Å; M689-L716 HydrophobicContact CB-CD1 3.56Å; M689-L716 HydrophobicContact CG-CD1 3.95Å; M689-L716 WeakPolarHBondContact O-CD1 3.47Å; M689-L716 HydrophobicContact SD-CB 4.44Å; M689-L716 HydrophobicContact SD-CD1 3.5Å; M689-L716 WeakPolarHBondContact SD-CD1 3.32Å
690	D	78	Confident	82.7	Confident	100 Å²	100	42.6 Å²	42.6	54%	0.535	22%	0.222	S	C	.	.	H	α-helix	trans	-78.8	-22.1	-177	-61.2	-37.7	0	0	0	112.2	S686 L687 R712	S686-D690 WeakPolarHBondContact O-CB 3.46Å; S686-D690 PolarHBondContact O-N 2.86Å; S686-D690 PolarHBondContact OG-OD2 2.71Å; L687-D690 PolarHBondContact O-N 2.83Å; D690-R712 VanDerWaalsContact CG-NH2 3.29Å; D690-R712 IonicContact OD1-CZ 3.51Å; D690-R712 IonicContact OD1-NH2 3.34Å; D690-R712 PolarHBondContact OD1-NH2 3.11Å; D690-R712 IonicContact OD2-NH2 3.82Å; D690-R712 PolarHBondContact OD2-NH2 3.09Å
691	C	75.8	Confident	83.2	Confident	32 Å²	32	38.5 Å²	38.5	22%	0.216	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-8.5	166	-57	0	0	0	0	113.8	P671 L687 Q693	P671-C691 VanDerWaalsContact CB-SG 3.56Å; L687-C691 WeakPolarHBondContact O-CB 3.48Å; L687-C691 PolarHBondContact O-N 3.32Å; L687-C691 PolarHBondContact O-SG 3.06Å; C691-Q693 VanDerWaalsContact C-N 3.26Å; C691-Q693 HydrophobicContact CB-CG 4.21Å; C691-Q693 PolarHBondContact O-N 3.05Å
692	G	78.7	Confident	83.5	Confident	17 Å²	17	41.2 Å²	41.2	18%	0.175	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	11.9	-172.5	0	0	0	0	0	115.8	A688 M689 L694 Q720	A688-G692 CarbonylContact O-C 3.59Å; A688-G692 PolarHBondContact O-N 3.09Å; M689-G692 PolarHBondContact O-N 3.18Å; G692-L694 VanDerWaalsContact C-N 3.35Å; G692-L694 PolarHBondContact O-N 3.34Å; G692-Q720 PolarHBondContact O-NE2 3.48Å
693	Q	82.5	Confident	83.7	Confident	39 Å²	39	37.8 Å²	37.8	18%	0.182	21%	0.212	C	C	.	.			trans	-80.7	77.5	-178.2	-72.1	-173.4	-16.7	0	0	111.8	A688 C691 D695 V696 G697 E874	A688-Q693 PolarHBondContact O-N 3.06Å; C691-Q693 VanDerWaalsContact C-N 3.26Å; C691-Q693 HydrophobicContact CB-CG 4.21Å; C691-Q693 PolarHBondContact O-N 3.05Å; Q693-D695 VanDerWaalsContact C-N 3.28Å; Q693-D695 PolarHBondContact O-N 3.24Å; Q693-V696 PolarHBondContact O-N 3.5Å; Q693-V696 VanDerWaalsContact O-N 3.16Å; Q693-G697 PolarHBondContact O-N 2.96Å; Q693-E874 PolarHBondContact NE2-OE1 2.8Å
694	L	84.2	Confident	84.2	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-55.9	-33.8	-174	-67.2	178.5	0	0	0	114.7	M689 G692 V696 G697 L698 L713 L716 A717 Q720 K722 L725	M689-L694 HydrophobicContact CE-CD2 4.36Å; G692-L694 VanDerWaalsContact C-N 3.35Å; G692-L694 PolarHBondContact O-N 3.34Å; L694-V696 PolarHBondContact O-N 3.05Å; L694-G697 CarbonylContact O-C 3.51Å; L694-G697 PolarHBondContact O-N 3.42Å; L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 PolarHBondContact O-N 3.42Å; L694-L713 HydrophobicContact CD2-CD1 3.92Å; L694-L716 HydrophobicContact CD2-CB 3.97Å; L694-A717 HydrophobicContact CD1-CB 4.22Å; L694-A717 HydrophobicContact CD2-CB 4.5Å; L694-Q720 HydrophobicContact CD1-CB 3.97Å; L694-Q720 HydrophobicContact CD1-CG 4.25Å; L694-K722 HydrophobicContact CD1-CB 4.23Å; L694-K722 HydrophobicContact CD1-CD 3.76Å; L694-K722 HydrophobicContact CD1-CG 3.93Å; L694-L725 HydrophobicContact CB-CD2 3.97Å; L694-L725 HydrophobicContact CD1-CD2 4.11Å; L694-L725 HydrophobicContact CD2-CD2 4.38Å; L694-L725 HydrophobicContact CG-CD2 4.39Å
695	D	84.8	Confident	84.3	Confident	69 Å²	69	38.5 Å²	38.5	37%	0.369	22%	0.217	S	C	.	.	H	α-helix	trans	-58.1	-47.4	177.7	-66.7	17.8	0	0	0	111.6	Q693 L698 E699 K722 R881	Q693-D695 VanDerWaalsContact C-N 3.28Å; Q693-D695 PolarHBondContact O-N 3.24Å; D695-L698 PolarHBondContact O-N 3.41Å; D695-E699 PolarHBondContact O-N 3.11Å; D695-K722 IonicContact OD1-NZ 2.73Å; D695-K722 PolarHBondContact OD1-NZ 3.39Å; D695-K722 VanDerWaalsContact OD1-NZ 3.13Å; D695-R881 IonicContact OD2-CZ 3.27Å; D695-R881 IonicContact OD2-NH1 2.68Å; D695-R881 PolarHBondContact OD2-NH1 3.17Å; D695-R881 IonicContact OD2-NH2 2.92Å; D695-R881 PolarHBondContact OD2-NH2 3.15Å
696	V	83	Confident	84.4	Confident	26 Å²	26	40.3 Å²	40.3	16%	0.158	23%	0.227	C	C	.	.	H	α-helix	trans	-74.5	-33.3	178.4	179.3	0	0	0	0	110.7	L675 R684 A688 Q693 L694 L698 E699 A700	L675-V696 HydrophobicContact CD1-CG1 4.27Å; L675-V696 HydrophobicContact CD2-CB 4.43Å; L675-V696 HydrophobicContact CD2-CG1 4.12Å; L675-V696 HydrophobicContact CD2-CG2 4.43Å; L675-V696 HydrophobicContact CG-CG1 4.48Å; R684-V696 HydrophobicContact CG-CG1 4.03Å; R684-V696 VanDerWaalsContact CZ-CG1 3.4Å; A688-V696 HydrophobicContact CB-CB 4.03Å; A688-V696 HydrophobicContact CB-CG1 3.96Å; Q693-V696 PolarHBondContact O-N 3.5Å; Q693-V696 VanDerWaalsContact O-N 3.16Å; L694-V696 PolarHBondContact O-N 3.05Å; V696-L698 VanDerWaalsContact C-N 3.31Å; V696-L698 PolarHBondContact O-N 3.37Å; V696-E699 PolarHBondContact O-N 2.85Å; V696-A700 WeakPolarHBondContact O-CB 3.14Å; V696-A700 PolarHBondContact O-N 2.8Å
697	G	86	Confident	84.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-41.1	170.1	0	0	0	0	0	113.2	F685 M689 Q693 L694 A701	F685-G697 WeakPolarHBondContact CD2-O 3.46Å; M689-G697 VanDerWaalsContact CE-CA 3.46Å; Q693-G697 PolarHBondContact O-N 2.96Å; L694-G697 CarbonylContact O-C 3.51Å; L694-G697 PolarHBondContact O-N 3.42Å; G697-A701 VanDerWaalsContact O-CB 3.26Å; G697-A701 WeakPolarHBondContact O-CB 3.3Å; G697-A701 PolarHBondContact O-N 3.28Å
698	L	88.1	Confident	84.9	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.204	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-48.1	177.6	175.2	59.8	0	0	0	111.9	L694 D695 V696 A700 A701 Q702 W710 L713 L725 M728	L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 PolarHBondContact O-N 3.42Å; D695-L698 PolarHBondContact O-N 3.41Å; V696-L698 VanDerWaalsContact C-N 3.31Å; V696-L698 PolarHBondContact O-N 3.37Å; L698-A700 VanDerWaalsContact C-N 3.27Å; L698-A700 PolarHBondContact O-N 2.98Å; L698-A701 PolarHBondContact O-N 3.48Å; L698-Q702 HydrophobicContact CD1-CG 3.97Å; L698-Q702 HydrophobicContact CG-CG 4.49Å; L698-Q702 WeakPolarHBondContact O-CB 3.18Å; L698-Q702 WeakPolarHBondContact O-CG 3.09Å; L698-Q702 PolarHBondContact O-N 3.08Å; L698-W710 HydrophobicContact CD1-CH2 4.08Å; L698-W710 HydrophobicContact CD1-CZ3 3.88Å; L698-L713 HydrophobicContact CB-CD2 4.37Å; L698-L713 HydrophobicContact CD1-CD2 4.17Å; L698-L725 HydrophobicContact CD1-CD1 3.95Å; L698-L725 HydrophobicContact CD2-CD1 4.22Å; L698-L725 HydrophobicContact CG-CD1 4.47Å; L698-M728 HydrophobicContact CD1-CE 3.44Å; L698-M728 VanDerWaalsContact CD1-CE 3.44Å; L698-M728 HydrophobicContact CD2-CE 3.92Å; L698-M728 HydrophobicContact CG-CE 4.35Å
699	E	86.8	Confident	85.1	Confident	104 Å²	104	46.9 Å²	46.9	49%	0.486	26%	0.262	S	S	.	.	H	α-helix	trans	-51.4	-48.9	173.2	178.5	-168.5	-137.9	0	0	110.6	R684 D695 V696 A703	R684-E699 IonicContact CZ-OE2 3.81Å; R684-E699 IonicContact NE-OE2 3.05Å; R684-E699 PolarHBondContact NE-OE2 2.93Å; R684-E699 IonicContact NH2-OE2 2.72Å; R684-E699 PolarHBondContact NH2-OE2 2.85Å; D695-E699 PolarHBondContact O-N 3.11Å; V696-E699 PolarHBondContact O-N 2.85Å; E699-A703 PolarHBondContact O-N 2.87Å
700	A	86	Confident	85.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-70	-38.9	-179.2	0	0	0	0	0	113.1	T681 F685 V696 L698 A703 L704	T681-A700 HydrophobicContact CG2-CB 3.86Å; T681-A700 WeakPolarHBondContact CG2-O 3.41Å; F685-A700 HydrophobicContact CB-CB 3.83Å; F685-A700 HydrophobicContact CD2-CB 4.18Å; V696-A700 WeakPolarHBondContact O-CB 3.14Å; V696-A700 PolarHBondContact O-N 2.8Å; L698-A700 VanDerWaalsContact C-N 3.27Å; L698-A700 PolarHBondContact O-N 2.98Å; A700-A703 PolarHBondContact O-N 3.09Å; A700-L704 WeakPolarHBondContact O-CB 3.34Å; A700-L704 WeakPolarHBondContact O-CD1 3.41Å; A700-L704 VanDerWaalsContact O-CG 3.26Å; A700-L704 WeakPolarHBondContact O-CG 3.34Å; A700-L704 PolarHBondContact O-N 2.75Å
701	A	88	Confident	86	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-40.2	176.3	0	0	0	0	0	112.4	F685 G697 L698 A703 L704 D705 W710 L713	F685-A701 HydrophobicContact CD2-CB 4.31Å; F685-A701 HydrophobicContact CE2-CB 4.04Å; G697-A701 VanDerWaalsContact O-CB 3.26Å; G697-A701 WeakPolarHBondContact O-CB 3.3Å; G697-A701 PolarHBondContact O-N 3.28Å; L698-A701 PolarHBondContact O-N 3.48Å; A701-A703 VanDerWaalsContact C-N 3.28Å; A701-A703 PolarHBondContact O-N 2.86Å; A701-L704 PolarHBondContact O-N 2.81Å; A701-D705 PolarHBondContact O-N 2.96Å; A701-W710 HydrophobicContact CB-CD2 4.39Å; A701-W710 HydrophobicContact CB-CE3 4.24Å; A701-W710 HydrophobicContact CB-CH2 4.29Å; A701-W710 HydrophobicContact CB-CZ2 4.43Å; A701-W710 HydrophobicContact CB-CZ3 4.19Å; A701-L713 HydrophobicContact CB-CD2 3.8Å
702	Q	89.5	Confident	86.5	Confident	101 Å²	101	48 Å²	48	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-37.6	174.2	-75.1	178.1	-5.4	0	0	112.3	L698 W710	L698-Q702 HydrophobicContact CD1-CG 3.97Å; L698-Q702 HydrophobicContact CG-CG 4.49Å; L698-Q702 WeakPolarHBondContact O-CB 3.18Å; L698-Q702 WeakPolarHBondContact O-CG 3.09Å; L698-Q702 PolarHBondContact O-N 3.08Å; Q702-W710 HydrophobicContact CG-CH2 3.71Å; Q702-W710 HydrophobicContact CG-CZ2 4.25Å
703	A	87.6	Confident	87	Confident	73 Å²	73	47.2 Å²	47.2	60%	0.603	25%	0.249	S	C	*	.	H	α-helix	trans	-83.8	-13.9	179.4	0	0	0	0	0	114.6	T681 E699 A700 A701	T681-A703 HydrophobicContact CG2-CB 3.83Å; E699-A703 PolarHBondContact O-N 2.87Å; A700-A703 PolarHBondContact O-N 3.09Å; A701-A703 VanDerWaalsContact C-N 3.28Å; A701-A703 PolarHBondContact O-N 2.86Å
704	L	87.7	Confident	87.3	Confident	51 Å²	51	45.3 Å²	45.3	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-94.8	-34.7	174.8	-73.2	166.2	0	0	0	113.3	T681 R682 F685 A700 A701 D706	T681-L704 HydrophobicContact CG2-CD1 4.19Å; T681-L704 HydrophobicContact CG2-CD2 4.2Å; T681-L704 HydrophobicContact CG2-CG 3.73Å; R682-L704 HydrophobicContact CB-CD1 4.41Å; R682-L704 HydrophobicContact CB-CD2 4.11Å; F685-L704 HydrophobicContact CB-CD1 3.93Å; F685-L704 HydrophobicContact CG-CD1 4.32Å; A700-L704 WeakPolarHBondContact O-CB 3.34Å; A700-L704 WeakPolarHBondContact O-CD1 3.41Å; A700-L704 VanDerWaalsContact O-CG 3.26Å; A700-L704 WeakPolarHBondContact O-CG 3.34Å; A700-L704 PolarHBondContact O-N 2.75Å; A701-L704 PolarHBondContact O-N 2.81Å; L704-D706 HydrophobicContact CB-CB 4.46Å; L704-D706 PolarHBondContact O-N 2.88Å; L704-D706 VanDerWaalsContact O-N 3.14Å
705	D	85.9	Confident	87.4	Confident	95 Å²	95	50 Å²	50	51%	0.508	26%	0.262	S	S	.	.			trans	44.8	35.6	-171.6	-146.8	2	0	0	0	116.1	A701 W710 R732	A701-D705 PolarHBondContact O-N 2.96Å; D705-W710 PolarHBondContact OD1-NE1 2.85Å; D705-R732 IonicContact OD1-CZ 3.13Å; D705-R732 IonicContact OD1-NH1 2.65Å; D705-R732 PolarHBondContact OD1-NH1 3.37Å; D705-R732 IonicContact OD2-CZ 2.71Å; D705-R732 IonicContact OD2-NH1 3.9Å; D705-R732 PolarHBondContact OD2-NH1 2.96Å
706	D	87	Confident	87.4	Confident	45 Å²	45	48.4 Å²	48.4	24%	0.241	25%	0.253	C	S	.	.			trans	-92.6	125.5	178.1	178.1	-5.5	0	0	0	110.1	R682 L704 A708 C709 W710	R682-D706 IonicContact CZ-OD2 2.72Å; R682-D706 IonicContact NH2-OD2 2.84Å; R682-D706 PolarHBondContact NH2-OD2 3.06Å; L704-D706 HydrophobicContact CB-CB 4.46Å; L704-D706 PolarHBondContact O-N 2.88Å; L704-D706 VanDerWaalsContact O-N 3.14Å; D706-A708 PolarHBondContact O-N 2.99Å; D706-A708 VanDerWaalsContact O-N 3.17Å; D706-A708 WeakPolarHBondContact OD1-CB 3.34Å; D706-A708 PolarHBondContact OD1-N 3.2Å; D706-C709 HydrophobicContact CB-CB 4.21Å; D706-C709 WeakPolarHBondContact O-CA 3.32Å; D706-C709 WeakPolarHBondContact O-CB 3.32Å; D706-C709 PolarHBondContact O-N 3.22Å; D706-W710 VanDerWaalsContact O-CD1 3.31Å; D706-W710 PolarHBondContact O-N 2.87Å; D706-W710 VanDerWaalsContact O-N 3.09Å
707	K	88.3	Confident	87.5	Confident	118 Å²	118	47.2 Å²	47.2	51%	0.513	25%	0.246	S	C	.	.	H	α-helix	trans	-50.5	-40.1	177	-177.7	-178.5	175.6	-74.5	0	112.1	C709 W710 E711 V733	K707-C709 VanDerWaalsContact C-N 3.3Å; K707-C709 PolarHBondContact O-N 3.03Å; K707-W710 PolarHBondContact O-N 2.96Å; K707-E711 IonicContact NZ-OE1 2.71Å; K707-E711 PolarHBondContact NZ-OE1 2.65Å; K707-E711 IonicContact NZ-OE2 3.79Å; K707-E711 PolarHBondContact NZ-OE2 2.81Å; K707-E711 WeakPolarHBondContact O-CG 3.26Å; K707-E711 PolarHBondContact O-N 3.13Å; K707-V733 HydrophobicContact CG-CG1 4.31Å; K707-V733 HydrophobicContact CG-CG2 4.41Å
708	A	87.2	Confident	87.4	Confident	57 Å²	57	50.3 Å²	50.3	47%	0.471	26%	0.262	S	S	.	.	H	α-helix	trans	-68.8	-29.6	-179.5	0	0	0	0	0	112.6	D706 R712	D706-A708 PolarHBondContact O-N 2.99Å; D706-A708 VanDerWaalsContact O-N 3.17Å; D706-A708 WeakPolarHBondContact OD1-CB 3.34Å; D706-A708 PolarHBondContact OD1-N 3.2Å; A708-R712 PolarHBondContact O-N 3.13Å; A708-R712 VanDerWaalsContact O-N 3.14Å
709	C	88.3	Confident	87	Confident	8 Å²	8	56 Å²	56	5%	0.054	29%	0.285	C	S	.	.	H	α-helix	trans	-72.7	-42.9	173.7	-62.8	0	0	0	0	110.6	F685 D706 K707 E711 R712 L713	F685-C709 HydrophobicContact CD1-CB 4.17Å; F685-C709 HydrophobicContact CE1-CB 3.79Å; F685-C709 HydrophobicContact CE2-CB 4.28Å; F685-C709 HydrophobicContact CZ-CB 3.87Å; F685-C709 WeakPolarHBondContact CZ-O 3.12Å; D706-C709 HydrophobicContact CB-CB 4.21Å; D706-C709 WeakPolarHBondContact O-CA 3.32Å; D706-C709 WeakPolarHBondContact O-CB 3.32Å; D706-C709 PolarHBondContact O-N 3.22Å; K707-C709 VanDerWaalsContact C-N 3.3Å; K707-C709 PolarHBondContact O-N 3.03Å; C709-E711 VanDerWaalsContact C-N 3.33Å; C709-E711 PolarHBondContact O-N 3.08Å; C709-R712 PolarHBondContact O-N 3.34Å; C709-L713 VanDerWaalsContact O-CB 3.26Å; C709-L713 WeakPolarHBondContact O-CB 3.48Å; C709-L713 PolarHBondContact O-N 2.96Å
710	W	91.1	Very high	86.7	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-38.7	173.8	-69.1	115.3	0	0	0	112.9	L698 A701 Q702 D705 D706 K707 L713 G714 T729 R732 V733	L698-W710 HydrophobicContact CD1-CH2 4.08Å; L698-W710 HydrophobicContact CD1-CZ3 3.88Å; A701-W710 HydrophobicContact CB-CD2 4.39Å; A701-W710 HydrophobicContact CB-CE3 4.24Å; A701-W710 HydrophobicContact CB-CH2 4.29Å; A701-W710 HydrophobicContact CB-CZ2 4.43Å; A701-W710 HydrophobicContact CB-CZ3 4.19Å; Q702-W710 HydrophobicContact CG-CH2 3.71Å; Q702-W710 HydrophobicContact CG-CZ2 4.25Å; D705-W710 PolarHBondContact OD1-NE1 2.85Å; D706-W710 VanDerWaalsContact O-CD1 3.31Å; D706-W710 PolarHBondContact O-N 2.87Å; D706-W710 VanDerWaalsContact O-N 3.09Å; K707-W710 PolarHBondContact O-N 2.96Å; W710-L713 HydrophobicContact CE3-CD2 4.03Å; W710-L713 HydrophobicContact CZ3-CD2 3.98Å; W710-G714 PolarHBondContact O-N 2.92Å; W710-T729 HydrophobicContact CE3-CG2 4.03Å; W710-R732 HydrophobicContact CD2-CB 4.04Å; W710-R732 HydrophobicContact CD2-CG 3.99Å; W710-R732 HydrophobicContact CE3-CB 4.4Å; W710-R732 HydrophobicContact CE3-CG 4.21Å; W710-R732 HydrophobicContact CG-CB 4.16Å; W710-R732 HydrophobicContact CH2-CG 4.2Å; W710-R732 HydrophobicContact CZ2-CG 3.97Å; W710-R732 HydrophobicContact CZ3-CG 4.31Å; W710-V733 HydrophobicContact CB-CG2 3.56Å
711	E	89	Confident	86.3	Confident	66 Å²	66	53.6 Å²	53.6	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-66.9	-46.9	176.8	-72.6	176.6	142.5	0	0	112.2	K707 C709 L713 G714 E715 V733	K707-E711 IonicContact NZ-OE1 2.71Å; K707-E711 PolarHBondContact NZ-OE1 2.65Å; K707-E711 IonicContact NZ-OE2 3.79Å; K707-E711 PolarHBondContact NZ-OE2 2.81Å; K707-E711 WeakPolarHBondContact O-CG 3.26Å; K707-E711 PolarHBondContact O-N 3.13Å; C709-E711 VanDerWaalsContact C-N 3.33Å; C709-E711 PolarHBondContact O-N 3.08Å; E711-L713 VanDerWaalsContact C-N 3.35Å; E711-L713 PolarHBondContact O-N 3.27Å; E711-G714 PolarHBondContact O-N 3.46Å; E711-E715 PolarHBondContact O-N 2.77Å; E711-V733 HydrophobicContact CG-CG1 4.06Å; E711-V733 HydrophobicContact CG-CG2 3.99Å
712	R	86.5	Confident	85.9	Confident	91 Å²	91	56 Å²	56	34%	0.343	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-35.8	176.1	-173.7	171.9	177	-171.3	-3.9	112.7	F685 S686 M689 D690 A708 C709 L716	F685-R712 HydrophobicContact CE1-CB 4.31Å; F685-R712 HydrophobicContact CZ-CB 4.31Å; S686-R712 PolarHBondContact OG-NH1 3.34Å; S686-R712 PolarHBondContact OG-NH2 3.04Å; M689-R712 HydrophobicContact CG-CG 4.15Å; M689-R712 HydrophobicContact SD-CG 4.43Å; D690-R712 VanDerWaalsContact CG-NH2 3.29Å; D690-R712 IonicContact OD1-CZ 3.51Å; D690-R712 IonicContact OD1-NH2 3.34Å; D690-R712 PolarHBondContact OD1-NH2 3.11Å; D690-R712 IonicContact OD2-NH2 3.82Å; D690-R712 PolarHBondContact OD2-NH2 3.09Å; A708-R712 PolarHBondContact O-N 3.13Å; A708-R712 VanDerWaalsContact O-N 3.14Å; C709-R712 PolarHBondContact O-N 3.34Å; R712-L716 HydrophobicContact CG-CD1 4.33Å; R712-L716 PolarHBondContact O-N 3.45Å
713	L	90	Very high	85.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-43.6	174.1	-176.3	64.2	0	0	0	111.2	F685 M689 L694 L698 A701 C709 W710 E711 L716 A717 L725 T729	F685-L713 HydrophobicContact CE2-CB 4.2Å; F685-L713 HydrophobicContact CZ-CB 4.22Å; M689-L713 HydrophobicContact CE-CD1 3.6Å; M689-L713 HydrophobicContact SD-CB 4.39Å; M689-L713 HydrophobicContact SD-CD1 4.01Å; L694-L713 HydrophobicContact CD2-CD1 3.92Å; L698-L713 HydrophobicContact CB-CD2 4.37Å; L698-L713 HydrophobicContact CD1-CD2 4.17Å; A701-L713 HydrophobicContact CB-CD2 3.8Å; C709-L713 VanDerWaalsContact O-CB 3.26Å; C709-L713 WeakPolarHBondContact O-CB 3.48Å; C709-L713 PolarHBondContact O-N 2.96Å; W710-L713 HydrophobicContact CE3-CD2 4.03Å; W710-L713 HydrophobicContact CZ3-CD2 3.98Å; E711-L713 VanDerWaalsContact C-N 3.35Å; E711-L713 PolarHBondContact O-N 3.27Å; L713-L716 PolarHBondContact O-N 3.19Å; L713-A717 VanDerWaalsContact O-CB 3.23Å; L713-A717 WeakPolarHBondContact O-CB 3.43Å; L713-A717 PolarHBondContact O-N 3.43Å; L713-L725 HydrophobicContact CD1-CD2 4.27Å; L713-L725 HydrophobicContact CD2-CD1 4.09Å; L713-L725 HydrophobicContact CG-CD1 4.38Å; L713-L725 HydrophobicContact CG-CD2 4.46Å; L713-T729 HydrophobicContact CB-CG2 4.25Å; L713-T729 HydrophobicContact CD2-CG2 4.12Å; L713-T729 HydrophobicContact CG-CG2 4.07Å
714	G	88	Confident	85.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-40.3	176.7	0	0	0	0	0	113.3	W710 E711 L718 T729	W710-G714 PolarHBondContact O-N 2.92Å; E711-G714 PolarHBondContact O-N 3.46Å; G714-L718 VanDerWaalsContact O-CB 3.3Å; G714-L718 WeakPolarHBondContact O-CB 3.4Å; G714-L718 PolarHBondContact O-N 3.41Å; G714-T729 VanDerWaalsContact CA-OG1 3.31Å; G714-T729 WeakPolarHBondContact CA-OG1 3.47Å
715	E	86.7	Confident	85.1	Confident	103 Å²	103	52.4 Å²	52.4	48%	0.481	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-39.4	175.7	-74.6	-175.2	-170	0	0	113.4	E711 K719	E711-E715 PolarHBondContact O-N 2.77Å; E715-K719 WeakPolarHBondContact O-CD 3.42Å; E715-K719 VanDerWaalsContact O-CG 3.3Å; E715-K719 WeakPolarHBondContact O-CG 3.1Å; E715-K719 PolarHBondContact O-N 2.92Å; E715-K719 VanDerWaalsContact O-N 3.11Å
716	L	84.4	Confident	85.2	Confident	35 Å²	35	47.9 Å²	47.9	18%	0.183	23%	0.231	C	C	.	.	H	α-helix	trans	-77.8	-35.3	178	-77.8	161.6	0	0	0	112.2	M689 L694 R712 L713 L718 K719 Q720	M689-L716 HydrophobicContact CB-CD1 3.56Å; M689-L716 HydrophobicContact CG-CD1 3.95Å; M689-L716 WeakPolarHBondContact O-CD1 3.47Å; M689-L716 HydrophobicContact SD-CB 4.44Å; M689-L716 HydrophobicContact SD-CD1 3.5Å; M689-L716 WeakPolarHBondContact SD-CD1 3.32Å; L694-L716 HydrophobicContact CD2-CB 3.97Å; R712-L716 HydrophobicContact CG-CD1 4.33Å; R712-L716 PolarHBondContact O-N 3.45Å; L713-L716 PolarHBondContact O-N 3.19Å; L716-L718 VanDerWaalsContact C-N 3.31Å; L716-L718 PolarHBondContact O-N 2.96Å; L716-K719 HydrophobicContact CD2-CD 4.24Å; L716-K719 PolarHBondContact O-N 3.33Å; L716-Q720 PolarHBondContact O-N 2.72Å
717	A	86.5	Confident	85.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-40.6	170.1	0	0	0	0	0	111.8	L694 L713 Q720 G721 K722 L725 V726	L694-A717 HydrophobicContact CD1-CB 4.22Å; L694-A717 HydrophobicContact CD2-CB 4.5Å; L713-A717 VanDerWaalsContact O-CB 3.23Å; L713-A717 WeakPolarHBondContact O-CB 3.43Å; L713-A717 PolarHBondContact O-N 3.43Å; A717-Q720 CarbonylContact O-C 3.43Å; A717-Q720 PolarHBondContact O-N 2.89Å; A717-G721 PolarHBondContact O-N 3.14Å; A717-K722 HydrophobicContact CB-CB 4.44Å; A717-K722 PolarHBondContact O-N 3.01Å; A717-L725 HydrophobicContact CB-CB 4.05Å; A717-L725 HydrophobicContact CB-CD2 3.78Å; A717-L725 HydrophobicContact CB-CG 3.73Å; A717-V726 HydrophobicContact CB-CG2 3.7Å
718	L	83.4	Confident	85	Confident	66 Å²	66	45 Å²	45	35%	0.346	22%	0.219	S	C	.	.	H	α-helix	trans	-66.6	-41.5	175.6	-175.3	64.7	0	0	0	111.9	G714 L716 Q720 G721 V726	G714-L718 VanDerWaalsContact O-CB 3.3Å; G714-L718 WeakPolarHBondContact O-CB 3.4Å; G714-L718 PolarHBondContact O-N 3.41Å; L716-L718 VanDerWaalsContact C-N 3.31Å; L716-L718 PolarHBondContact O-N 2.96Å; L718-Q720 PolarHBondContact O-N 3.44Å; L718-G721 PolarHBondContact O-N 3.5Å; L718-G721 VanDerWaalsContact O-N 3.16Å; L718-V726 HydrophobicContact CB-CG2 3.86Å; L718-V726 HydrophobicContact CD1-CG2 4.37Å; L718-V726 VanDerWaalsContact N-CG2 3.33Å
719	K	79.7	Confident	85.1	Confident	157 Å²	157	42.3 Å²	42.3	68%	0.683	20%	0.196	S	C	*	.	H	α-helix	trans	-63.6	-26.9	174.4	-74.6	165.1	-178.5	165.7	0	113.4	E715 L716	E715-K719 WeakPolarHBondContact O-CD 3.42Å; E715-K719 VanDerWaalsContact O-CG 3.3Å; E715-K719 WeakPolarHBondContact O-CG 3.1Å; E715-K719 PolarHBondContact O-N 2.92Å; E715-K719 VanDerWaalsContact O-N 3.11Å; L716-K719 HydrophobicContact CD2-CD 4.24Å; L716-K719 PolarHBondContact O-N 3.33Å
720	Q	79.1	Confident	85.2	Confident	52 Å²	52	43.1 Å²	43.1	24%	0.243	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-0.1	174.8	-69.3	-171.6	12.7	0	0	113.9	G692 L694 L716 A717 L718 K722 L865	G692-Q720 PolarHBondContact O-NE2 3.48Å; L694-Q720 HydrophobicContact CD1-CB 3.97Å; L694-Q720 HydrophobicContact CD1-CG 4.25Å; L716-Q720 PolarHBondContact O-N 2.72Å; A717-Q720 CarbonylContact O-C 3.43Å; A717-Q720 PolarHBondContact O-N 2.89Å; L718-Q720 PolarHBondContact O-N 3.44Å; Q720-K722 VanDerWaalsContact C-N 3.28Å; Q720-K722 PolarHBondContact O-N 3.15Å; Q720-L865 HydrophobicContact CB-CD2 4.18Å; Q720-L865 WeakPolarHBondContact O-CD2 3.39Å
721	G	77.8	Confident	85	Confident	4 Å²	4	47.3 Å²	47.3	4%	0.041	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	11.5	-179.6	0	0	0	0	0	116.1	A717 L718 L723 D862 W863	A717-G721 PolarHBondContact O-N 3.14Å; L718-G721 PolarHBondContact O-N 3.5Å; L718-G721 VanDerWaalsContact O-N 3.16Å; G721-L723 PolarHBondContact O-N 3.12Å; G721-D862 WeakPolarHBondContact O-CA 3.44Å; G721-D862 WeakPolarHBondContact O-CB 3.49Å; G721-W863 PolarHBondContact O-N 3.16Å
722	K	81.3	Confident	84.9	Confident	51 Å²	51	49.6 Å²	49.6	22%	0.222	22%	0.224	C	C	.	.			trans	-74.4	72.7	175	-69.2	-153.4	-174	-171.3	0	111.3	L694 D695 A717 Q720 Q724 L725 V726 D862	L694-K722 HydrophobicContact CD1-CB 4.23Å; L694-K722 HydrophobicContact CD1-CD 3.76Å; L694-K722 HydrophobicContact CD1-CG 3.93Å; D695-K722 IonicContact OD1-NZ 2.73Å; D695-K722 PolarHBondContact OD1-NZ 3.39Å; D695-K722 VanDerWaalsContact OD1-NZ 3.13Å; A717-K722 HydrophobicContact CB-CB 4.44Å; A717-K722 PolarHBondContact O-N 3.01Å; Q720-K722 VanDerWaalsContact C-N 3.28Å; Q720-K722 PolarHBondContact O-N 3.15Å; K722-Q724 VanDerWaalsContact C-N 3.34Å; K722-Q724 PolarHBondContact O-N 2.96Å; K722-L725 HydrophobicContact CB-CB 4.1Å; K722-L725 WeakPolarHBondContact O-CB 3.47Å; K722-L725 PolarHBondContact O-N 2.95Å; K722-L725 VanDerWaalsContact O-N 3.09Å; K722-V726 WeakPolarHBondContact O-CG2 3.44Å; K722-V726 PolarHBondContact O-N 2.63Å; K722-D862 VanDerWaalsContact CA-CG 3.5Å; K722-D862 WeakPolarHBondContact CA-OD2 3.33Å
723	L	80.4	Confident	85	Confident	12 Å²	12	46.5 Å²	46.5	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-36.9	-173.6	-74.8	167.1	0	0	0	113.7	G721 L725 V726 E727 L742 T746 T861 D862 W863	G721-L723 PolarHBondContact O-N 3.12Å; L723-L725 VanDerWaalsContact C-N 3.3Å; L723-L725 PolarHBondContact O-N 3.07Å; L723-V726 PolarHBondContact O-N 3.18Å; L723-E727 PolarHBondContact O-N 3.43Å; L723-L742 HydrophobicContact CD2-CD1 3.65Å; L723-T746 HydrophobicContact CD1-CG2 4.1Å; L723-T746 HydrophobicContact CD2-CG2 4.25Å; L723-T861 WeakPolarHBondContact CB-O 3.17Å; L723-T861 WeakPolarHBondContact CD1-O 3.34Å; L723-D862 PolarHBondContact N-OD1 3.18Å; L723-W863 HydrophobicContact CD1-CD2 4.45Å; L723-W863 HydrophobicContact CD1-CG 4.23Å
724	Q	82.6	Confident	84.9	Confident	122 Å²	122	53.7 Å²	53.7	57%	0.57	25%	0.247	S	C	*	.	H	α-helix	trans	-62.4	-38.4	175.4	-62.9	-170.1	10.4	0	0	112.2	K722 M728 T861 D862	K722-Q724 VanDerWaalsContact C-N 3.34Å; K722-Q724 PolarHBondContact O-N 2.96Å; Q724-M728 PolarHBondContact O-N 3.41Å; Q724-M728 VanDerWaalsContact O-N 3.13Å; Q724-T861 PolarHBondContact NE2-OG1 3.39Å; Q724-D862 PolarHBondContact N-OD1 3.03Å
725	L	84.3	Confident	84.9	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-71.6	-38.2	176.6	-179.7	56	0	0	0	111.5	L694 L698 L713 A717 K722 L723 M728 T729	L694-L725 HydrophobicContact CB-CD2 3.97Å; L694-L725 HydrophobicContact CD1-CD2 4.11Å; L694-L725 HydrophobicContact CD2-CD2 4.38Å; L694-L725 HydrophobicContact CG-CD2 4.39Å; L698-L725 HydrophobicContact CD1-CD1 3.95Å; L698-L725 HydrophobicContact CD2-CD1 4.22Å; L698-L725 HydrophobicContact CG-CD1 4.47Å; L713-L725 HydrophobicContact CD1-CD2 4.27Å; L713-L725 HydrophobicContact CD2-CD1 4.09Å; L713-L725 HydrophobicContact CG-CD1 4.38Å; L713-L725 HydrophobicContact CG-CD2 4.46Å; A717-L725 HydrophobicContact CB-CB 4.05Å; A717-L725 HydrophobicContact CB-CD2 3.78Å; A717-L725 HydrophobicContact CB-CG 3.73Å; K722-L725 HydrophobicContact CB-CB 4.1Å; K722-L725 WeakPolarHBondContact O-CB 3.47Å; K722-L725 PolarHBondContact O-N 2.95Å; K722-L725 VanDerWaalsContact O-N 3.09Å; L723-L725 VanDerWaalsContact C-N 3.3Å; L723-L725 PolarHBondContact O-N 3.07Å; L725-M728 HydrophobicContact CD1-CE 3.48Å; L725-M728 VanDerWaalsContact CD1-CE 3.48Å; L725-M728 PolarHBondContact O-N 2.9Å; L725-T729 HydrophobicContact CD1-CG2 4.29Å; L725-T729 WeakPolarHBondContact O-CG2 3.34Å; L725-T729 PolarHBondContact O-N 2.97Å; L725-T729 PolarHBondContact O-OG1 3.26Å
726	V	87.3	Confident	84.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-49.1	171.9	177.8	0	0	0	0	110.7	A717 L718 K722 L723 M728 T729 Y730 L742	A717-V726 HydrophobicContact CB-CG2 3.7Å; L718-V726 HydrophobicContact CB-CG2 3.86Å; L718-V726 HydrophobicContact CD1-CG2 4.37Å; L718-V726 VanDerWaalsContact N-CG2 3.33Å; K722-V726 WeakPolarHBondContact O-CG2 3.44Å; K722-V726 PolarHBondContact O-N 2.63Å; L723-V726 PolarHBondContact O-N 3.18Å; V726-M728 PolarHBondContact O-N 2.79Å; V726-T729 PolarHBondContact O-N 3.35Å; V726-T729 PolarHBondContact O-OG1 3.37Å; V726-Y730 HydrophobicContact CG1-CD2 3.79Å; V726-Y730 HydrophobicContact CG1-CE1 4.4Å; V726-Y730 HydrophobicContact CG1-CE2 3.33Å; V726-Y730 HydrophobicContact CG1-CG 4.48Å; V726-Y730 PolarHBondContact O-N 2.96Å; V726-L742 HydrophobicContact CG1-CD1 4.2Å; V726-L742 HydrophobicContact CG1-CD2 4.14Å
727	E	86.2	Confident	85	Confident	39 Å²	39	56.9 Å²	56.9	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-50.1	178	-171.5	-175.7	136.5	0	0	111.2	L723 T729 Y730 Q731 L739 L742 Y743 K751	L723-E727 PolarHBondContact O-N 3.43Å; E727-T729 PolarHBondContact O-N 2.81Å; E727-Y730 PolarHBondContact O-N 3.44Å; E727-Q731 WeakPolarHBondContact O-CB 3.31Å; E727-Q731 WeakPolarHBondContact O-CG 3.14Å; E727-Q731 PolarHBondContact O-N 3.28Å; E727-Q731 PolarHBondContact OE1-NE2 3.05Å; E727-L739 HydrophobicContact CG-CD1 4.06Å; E727-L742 HydrophobicContact CB-CD2 3.81Å; E727-L742 HydrophobicContact CG-CD2 4.25Å; E727-Y743 HydrophobicContact CG-CE1 3.98Å; E727-Y743 PolarHBondContact OE1-OH 3.08Å; E727-K751 IonicContact OE1-NZ 3.43Å; E727-K751 PolarHBondContact OE1-NZ 3.34Å; E727-K751 IonicContact OE2-NZ 3.83Å; E727-K751 PolarHBondContact OE2-NZ 2.96Å
728	M	85.8	Confident	85	Confident	63 Å²	63	61 Å²	61	31%	0.31	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-41	178.2	179.7	174.9	53	0	0	112.6	L698 Q724 L725 V726 Q731 R732	L698-M728 HydrophobicContact CD1-CE 3.44Å; L698-M728 VanDerWaalsContact CD1-CE 3.44Å; L698-M728 HydrophobicContact CD2-CE 3.92Å; L698-M728 HydrophobicContact CG-CE 4.35Å; Q724-M728 PolarHBondContact O-N 3.41Å; Q724-M728 VanDerWaalsContact O-N 3.13Å; L725-M728 HydrophobicContact CD1-CE 3.48Å; L725-M728 VanDerWaalsContact CD1-CE 3.48Å; L725-M728 PolarHBondContact O-N 2.9Å; V726-M728 PolarHBondContact O-N 2.79Å; M728-Q731 PolarHBondContact O-N 2.96Å; M728-R732 WeakPolarHBondContact O-CB 3.22Å; M728-R732 PolarHBondContact O-N 3.29Å
729	T	89.3	Confident	85.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-43.6	178	64	0	0	0	0	111.5	W710 L713 G714 L725 V726 E727 Q731 R732 V733	W710-T729 HydrophobicContact CE3-CG2 4.03Å; L713-T729 HydrophobicContact CB-CG2 4.25Å; L713-T729 HydrophobicContact CD2-CG2 4.12Å; L713-T729 HydrophobicContact CG-CG2 4.07Å; G714-T729 VanDerWaalsContact CA-OG1 3.31Å; G714-T729 WeakPolarHBondContact CA-OG1 3.47Å; L725-T729 HydrophobicContact CD1-CG2 4.29Å; L725-T729 WeakPolarHBondContact O-CG2 3.34Å; L725-T729 PolarHBondContact O-N 2.97Å; L725-T729 PolarHBondContact O-OG1 3.26Å; V726-T729 PolarHBondContact O-N 3.35Å; V726-T729 PolarHBondContact O-OG1 3.37Å; E727-T729 PolarHBondContact O-N 2.81Å; T729-Q731 PolarHBondContact O-N 3.45Å; T729-R732 PolarHBondContact O-N 3.31Å; T729-V733 WeakPolarHBondContact O-CB 3.05Å; T729-V733 VanDerWaalsContact O-CG2 3.23Å; T729-V733 WeakPolarHBondContact O-CG2 3.27Å; T729-V733 PolarHBondContact O-N 3.3Å
730	Y	90	Very high	85.7	Confident	25 Å²	25	51.5 Å²	51.5	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-31.2	178.2	-67.1	-13.6	0	0	0	112.6	V726 E727 K734 N735 K738 L739 L742	V726-Y730 HydrophobicContact CG1-CD2 3.79Å; V726-Y730 HydrophobicContact CG1-CE1 4.4Å; V726-Y730 HydrophobicContact CG1-CE2 3.33Å; V726-Y730 HydrophobicContact CG1-CG 4.48Å; V726-Y730 PolarHBondContact O-N 2.96Å; E727-Y730 PolarHBondContact O-N 3.44Å; Y730-K734 WeakPolarHBondContact O-CA 3.29Å; Y730-K734 PolarHBondContact O-N 3.05Å; Y730-N735 PolarHBondContact O-N 2.86Å; Y730-K738 HydrophobicContact CD1-CB 4.49Å; Y730-K738 HydrophobicContact CD1-CD 4.21Å; Y730-K738 HydrophobicContact CD2-CB 3.7Å; Y730-K738 HydrophobicContact CE1-CB 4.46Å; Y730-K738 HydrophobicContact CE1-CD 3.66Å; Y730-K738 HydrophobicContact CE2-CB 3.67Å; Y730-K738 HydrophobicContact CE2-CD 4.12Å; Y730-K738 HydrophobicContact CE2-CG 4.45Å; Y730-K738 HydrophobicContact CG-CB 4.13Å; Y730-L739 HydrophobicContact CD2-CD1 4.42Å; Y730-L742 HydrophobicContact CD2-CD2 4.32Å
731	Q	87.8	Confident	85.9	Confident	93 Å²	93	55.1 Å²	55.1	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-47.6	170.1	-73.3	177.4	12.8	0	0	112.2	E727 M728 T729 V733 K734 L739 Y743	E727-Q731 WeakPolarHBondContact O-CB 3.31Å; E727-Q731 WeakPolarHBondContact O-CG 3.14Å; E727-Q731 PolarHBondContact O-N 3.28Å; E727-Q731 PolarHBondContact OE1-NE2 3.05Å; M728-Q731 PolarHBondContact O-N 2.96Å; T729-Q731 PolarHBondContact O-N 3.45Å; Q731-V733 VanDerWaalsContact C-N 3.32Å; Q731-V733 PolarHBondContact O-N 3.09Å; Q731-K734 PolarHBondContact O-N 3.38Å; Q731-K734 VanDerWaalsContact O-N 3.09Å; Q731-L739 HydrophobicContact CG-CD1 4.03Å; Q731-L739 HydrophobicContact CG-CD2 3.73Å; Q731-Y743 PolarHBondContact NE2-OH 2.8Å; Q731-Y743 VanDerWaalsContact NE2-OH 3.15Å
732	R	86.3	Confident	86.3	Confident	114 Å²	114	55.2 Å²	55.2	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-54	-46.8	173	-90	-82.6	-174	170.5	-2.4	111.8	D705 W710 M728 T729 K734	D705-R732 IonicContact OD1-CZ 3.13Å; D705-R732 IonicContact OD1-NH1 2.65Å; D705-R732 PolarHBondContact OD1-NH1 3.37Å; D705-R732 IonicContact OD2-CZ 2.71Å; D705-R732 IonicContact OD2-NH1 3.9Å; D705-R732 PolarHBondContact OD2-NH1 2.96Å; W710-R732 HydrophobicContact CD2-CB 4.04Å; W710-R732 HydrophobicContact CD2-CG 3.99Å; W710-R732 HydrophobicContact CE3-CB 4.4Å; W710-R732 HydrophobicContact CE3-CG 4.21Å; W710-R732 HydrophobicContact CG-CB 4.16Å; W710-R732 HydrophobicContact CH2-CG 4.2Å; W710-R732 HydrophobicContact CZ2-CG 3.97Å; W710-R732 HydrophobicContact CZ3-CG 4.31Å; M728-R732 WeakPolarHBondContact O-CB 3.22Å; M728-R732 PolarHBondContact O-N 3.29Å; T729-R732 PolarHBondContact O-N 3.31Å; R732-K734 VanDerWaalsContact C-N 3.27Å; R732-K734 PolarHBondContact O-N 2.95Å
733	V	88.7	Confident	86.5	Confident	25 Å²	25	53.3 Å²	53.3	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-77.1	-11.1	-179	176.6	0	0	0	0	112.7	K707 W710 E711 T729 Q731 N735	K707-V733 HydrophobicContact CG-CG1 4.31Å; K707-V733 HydrophobicContact CG-CG2 4.41Å; W710-V733 HydrophobicContact CB-CG2 3.56Å; E711-V733 HydrophobicContact CG-CG1 4.06Å; E711-V733 HydrophobicContact CG-CG2 3.99Å; T729-V733 WeakPolarHBondContact O-CB 3.05Å; T729-V733 VanDerWaalsContact O-CG2 3.23Å; T729-V733 WeakPolarHBondContact O-CG2 3.27Å; T729-V733 PolarHBondContact O-N 3.3Å; Q731-V733 VanDerWaalsContact C-N 3.32Å; Q731-V733 PolarHBondContact O-N 3.09Å; V733-N735 VanDerWaalsContact C-N 3.25Å; V733-N735 HydrophobicContact CG1-CB 4.25Å; V733-N735 PolarHBondContact O-N 3.21Å
734	K	87.5	Confident	86.5	Confident	152 Å²	152	55.2 Å²	55.2	66%	0.661	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	35.5	-174.5	-56.2	178.4	-177.1	175.9	0	113.2	Y730 Q731 R732 F736	Y730-K734 WeakPolarHBondContact O-CA 3.29Å; Y730-K734 PolarHBondContact O-N 3.05Å; Q731-K734 PolarHBondContact O-N 3.38Å; Q731-K734 VanDerWaalsContact O-N 3.09Å; R732-K734 VanDerWaalsContact C-N 3.27Å; R732-K734 PolarHBondContact O-N 2.95Å; K734-F736 HydrophobicContact CB-CE2 4.04Å; K734-F736 HydrophobicContact CB-CZ 4.06Å; K734-F736 VanDerWaalsContact O-CD2 3.22Å; K734-F736 WeakPolarHBondContact O-CD2 3.43Å; K734-F736 WeakPolarHBondContact O-CE2 3.32Å; K734-F736 PolarHBondContact O-N 2.93Å; K734-F736 VanDerWaalsContact O-N 3.12Å
735	N	87.9	Confident	86.3	Confident	39 Å²	39	52.8 Å²	52.8	21%	0.209	25%	0.247	C	C	.	.			trans	-85.8	80.2	178.3	-165	-47	0	0	0	110.3	Y730 V733 D737 K738 L739	Y730-N735 PolarHBondContact O-N 2.86Å; V733-N735 VanDerWaalsContact C-N 3.25Å; V733-N735 HydrophobicContact CG1-CB 4.25Å; V733-N735 PolarHBondContact O-N 3.21Å; N735-D737 VanDerWaalsContact C-N 3.28Å; N735-D737 PolarHBondContact O-N 3.13Å; N735-K738 HydrophobicContact CB-CB 4.41Å; N735-K738 PolarHBondContact O-N 3.14Å; N735-K738 WeakPolarHBondContact OD1-CB 3.22Å; N735-K738 VanDerWaalsContact OD1-CG 3.29Å; N735-K738 WeakPolarHBondContact OD1-CG 3.29Å; N735-K738 PolarHBondContact OD1-N 3.07Å; N735-K738 VanDerWaalsContact OD1-N 3.09Å; N735-L739 WeakPolarHBondContact O-CB 3.16Å; N735-L739 PolarHBondContact O-N 2.84Å
736	F	87.1	Confident	85.9	Confident	57 Å²	57	53.3 Å²	53.3	25%	0.25	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-30.1	-174	-58.9	-70	0	0	0	113.5	K734 L739 T740 M755 I758	K734-F736 HydrophobicContact CB-CE2 4.04Å; K734-F736 HydrophobicContact CB-CZ 4.06Å; K734-F736 VanDerWaalsContact O-CD2 3.22Å; K734-F736 WeakPolarHBondContact O-CD2 3.43Å; K734-F736 WeakPolarHBondContact O-CE2 3.32Å; K734-F736 PolarHBondContact O-N 2.93Å; K734-F736 VanDerWaalsContact O-N 3.12Å; F736-L739 PolarHBondContact O-N 2.91Å; F736-T740 WeakPolarHBondContact O-CB 3.49Å; F736-T740 PolarHBondContact O-N 2.88Å; F736-T740 PolarHBondContact O-OG1 3.39Å; F736-M755 HydrophobicContact CB-SD 4.16Å; F736-M755 HydrophobicContact CD1-CE 3.95Å; F736-M755 HydrophobicContact CD1-SD 3.65Å; F736-M755 HydrophobicContact CG-SD 4.3Å; F736-I758 HydrophobicContact CD1-CG2 4.34Å; F736-I758 HydrophobicContact CE1-CG2 4.07Å
737	D	86.4	Confident	85.4	Confident	108 Å²	108	53.3 Å²	53.3	58%	0.578	25%	0.25	S	S	*	.	H	α-helix	trans	-71.6	-48	-178.3	-44.5	-41.2	0	0	0	110.4	N735 L739 T740 F741	N735-D737 VanDerWaalsContact C-N 3.28Å; N735-D737 PolarHBondContact O-N 3.13Å; D737-L739 VanDerWaalsContact C-N 3.27Å; D737-L739 PolarHBondContact O-N 2.82Å; D737-T740 PolarHBondContact O-N 2.83Å; D737-F741 PolarHBondContact O-N 3.25Å
738	K	86.7	Confident	85.2	Confident	86 Å²	86	52.6 Å²	52.6	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-34.6	172	-70.3	-172.2	-178.7	-171.1	0	112	Y730 N735 L742	Y730-K738 HydrophobicContact CD1-CB 4.49Å; Y730-K738 HydrophobicContact CD1-CD 4.21Å; Y730-K738 HydrophobicContact CD2-CB 3.7Å; Y730-K738 HydrophobicContact CE1-CB 4.46Å; Y730-K738 HydrophobicContact CE1-CD 3.66Å; Y730-K738 HydrophobicContact CE2-CB 3.67Å; Y730-K738 HydrophobicContact CE2-CD 4.12Å; Y730-K738 HydrophobicContact CE2-CG 4.45Å; Y730-K738 HydrophobicContact CG-CB 4.13Å; N735-K738 HydrophobicContact CB-CB 4.41Å; N735-K738 PolarHBondContact O-N 3.14Å; N735-K738 WeakPolarHBondContact OD1-CB 3.22Å; N735-K738 VanDerWaalsContact OD1-CG 3.29Å; N735-K738 WeakPolarHBondContact OD1-CG 3.29Å; N735-K738 PolarHBondContact OD1-N 3.07Å; N735-K738 VanDerWaalsContact OD1-N 3.09Å; K738-L742 VanDerWaalsContact O-CB 3.29Å; K738-L742 WeakPolarHBondContact O-CB 3.46Å; K738-L742 PolarHBondContact O-N 2.93Å
739	L	88	Confident	84.9	Confident	6 Å²	6	52.3 Å²	52.3	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-71.1	-37.6	176.8	-148.6	76.1	0	0	0	112.3	E727 Y730 Q731 N735 F736 D737 L742 Y743 M755	E727-L739 HydrophobicContact CG-CD1 4.06Å; Y730-L739 HydrophobicContact CD2-CD1 4.42Å; Q731-L739 HydrophobicContact CG-CD1 4.03Å; Q731-L739 HydrophobicContact CG-CD2 3.73Å; N735-L739 WeakPolarHBondContact O-CB 3.16Å; N735-L739 PolarHBondContact O-N 2.84Å; F736-L739 PolarHBondContact O-N 2.91Å; D737-L739 VanDerWaalsContact C-N 3.27Å; D737-L739 PolarHBondContact O-N 2.82Å; L739-L742 HydrophobicContact CD1-CD2 4.25Å; L739-L742 WeakPolarHBondContact O-CB 3.36Å; L739-L742 PolarHBondContact O-N 3.44Å; L739-Y743 HydrophobicContact CD2-CE2 3.74Å; L739-Y743 VanDerWaalsContact CD2-OH 3.27Å; L739-Y743 WeakPolarHBondContact CD2-OH 3.08Å; L739-Y743 HydrophobicContact CG-CD2 4.44Å; L739-Y743 HydrophobicContact CG-CE1 4.24Å; L739-Y743 HydrophobicContact CG-CE2 3.69Å; L739-Y743 VanDerWaalsContact O-CD2 3.28Å; L739-Y743 WeakPolarHBondContact O-CD2 3.42Å; L739-Y743 VanDerWaalsContact O-CG 3.26Å; L739-Y743 PolarHBondContact O-N 3.33Å; L739-M755 HydrophobicContact CB-CE 4.44Å; L739-M755 HydrophobicContact CD2-CE 3.63Å; L739-M755 HydrophobicContact CG-CE 4.46Å
740	T	88.2	Confident	84.6	Confident	19 Å²	19	58.2 Å²	58.2	12%	0.117	28%	0.275	C	S	.	.	H	α-helix	trans	-62.7	-46.4	174.1	-60.5	0	0	0	0	110.6	F736 D737 Y743 L744 L752 M755 I771 L774	F736-T740 WeakPolarHBondContact O-CB 3.49Å; F736-T740 PolarHBondContact O-N 2.88Å; F736-T740 PolarHBondContact O-OG1 3.39Å; D737-T740 PolarHBondContact O-N 2.83Å; T740-Y743 PolarHBondContact O-N 2.86Å; T740-L744 PolarHBondContact O-N 2.93Å; T740-L752 HydrophobicContact CG2-CD1 3.76Å; T740-M755 WeakPolarHBondContact OG1-CG 3.45Å; T740-I771 HydrophobicContact CG2-CD1 4.38Å; T740-I771 HydrophobicContact CG2-CG1 3.79Å; T740-L774 HydrophobicContact CG2-CD1 4.27Å
741	F	84.9	Confident	84.4	Confident	127 Å²	127	60 Å²	60	56%	0.557	28%	0.283	S	S	*	.	H	α-helix	trans	-62.8	-42	173.9	-176.2	-103.8	0	0	0	112.3	D737 Y743 L744 I745	D737-F741 PolarHBondContact O-N 3.25Å; F741-Y743 PolarHBondContact O-N 3.43Å; F741-L744 WeakPolarHBondContact O-CB 3.26Å; F741-L744 PolarHBondContact O-N 3.35Å; F741-I745 HydrophobicContact CD1-CD1 4.31Å; F741-I745 HydrophobicContact CD1-CG2 4.4Å; F741-I745 HydrophobicContact CD2-CG2 4.42Å; F741-I745 HydrophobicContact CE1-CD1 3.98Å; F741-I745 HydrophobicContact CE1-CG2 3.95Å; F741-I745 HydrophobicContact CE2-CG2 3.96Å; F741-I745 HydrophobicContact CZ-CG2 3.71Å; F741-I745 WeakPolarHBondContact O-CG1 3.19Å; F741-I745 PolarHBondContact O-N 3.04Å
742	L	84.8	Confident	84.3	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-44.2	176.4	-174	67.7	0	0	0	111.9	L723 V726 E727 Y730 K738 L739 I745 T746	L723-L742 HydrophobicContact CD2-CD1 3.65Å; V726-L742 HydrophobicContact CG1-CD1 4.2Å; V726-L742 HydrophobicContact CG1-CD2 4.14Å; E727-L742 HydrophobicContact CB-CD2 3.81Å; E727-L742 HydrophobicContact CG-CD2 4.25Å; Y730-L742 HydrophobicContact CD2-CD2 4.32Å; K738-L742 VanDerWaalsContact O-CB 3.29Å; K738-L742 WeakPolarHBondContact O-CB 3.46Å; K738-L742 PolarHBondContact O-N 2.93Å; L739-L742 HydrophobicContact CD1-CD2 4.25Å; L739-L742 WeakPolarHBondContact O-CB 3.36Å; L739-L742 PolarHBondContact O-N 3.44Å; L742-I745 WeakPolarHBondContact O-CG1 2.98Å; L742-T746 HydrophobicContact CD1-CG2 4.44Å; L742-T746 WeakPolarHBondContact O-CB 3.34Å; L742-T746 WeakPolarHBondContact O-CG2 3.25Å; L742-T746 PolarHBondContact O-N 2.86Å; L742-T746 PolarHBondContact O-OG1 3.01Å
743	Y	85.4	Confident	84.4	Confident	11 Å²	11	55.2 Å²	55.2	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-71	-30.6	177.6	-60.2	-29.8	0	0	0	113.1	E727 Q731 L739 T740 F741 G747 N748 K751 M755	E727-Y743 HydrophobicContact CG-CE1 3.98Å; E727-Y743 PolarHBondContact OE1-OH 3.08Å; Q731-Y743 PolarHBondContact NE2-OH 2.8Å; Q731-Y743 VanDerWaalsContact NE2-OH 3.15Å; L739-Y743 HydrophobicContact CD2-CE2 3.74Å; L739-Y743 VanDerWaalsContact CD2-OH 3.27Å; L739-Y743 WeakPolarHBondContact CD2-OH 3.08Å; L739-Y743 HydrophobicContact CG-CD2 4.44Å; L739-Y743 HydrophobicContact CG-CE1 4.24Å; L739-Y743 HydrophobicContact CG-CE2 3.69Å; L739-Y743 VanDerWaalsContact O-CD2 3.28Å; L739-Y743 WeakPolarHBondContact O-CD2 3.42Å; L739-Y743 VanDerWaalsContact O-CG 3.26Å; L739-Y743 PolarHBondContact O-N 3.33Å; T740-Y743 PolarHBondContact O-N 2.86Å; F741-Y743 PolarHBondContact O-N 3.43Å; Y743-G747 CarbonylContact O-C 3.47Å; Y743-G747 PolarHBondContact O-N 2.78Å; Y743-N748 PolarHBondContact O-N 3.01Å; Y743-K751 HydrophobicContact CD1-CB 3.79Å; Y743-K751 HydrophobicContact CD1-CD 3.95Å; Y743-K751 HydrophobicContact CD2-CB 3.64Å; Y743-K751 HydrophobicContact CE1-CB 3.77Å; Y743-K751 HydrophobicContact CE1-CD 3.39Å; Y743-K751 HydrophobicContact CE1-CG 4.2Å; Y743-K751 HydrophobicContact CE2-CB 3.61Å; Y743-K751 HydrophobicContact CG-CB 3.73Å; Y743-M755 HydrophobicContact CE2-CE 4.13Å
744	L	80.9	Confident	84.4	Confident	53 Å²	53	59.5 Å²	59.5	28%	0.277	28%	0.277	S	S	.	.	H	α-helix	trans	-64.4	-50.1	172	-176.5	68.4	0	0	0	111.5	T740 F741 G747 L774	T740-L744 PolarHBondContact O-N 2.93Å; F741-L744 WeakPolarHBondContact O-CB 3.26Å; F741-L744 PolarHBondContact O-N 3.35Å; L744-G747 PolarHBondContact O-N 2.91Å; L744-L774 HydrophobicContact CD1-CB 4.32Å; L744-L774 HydrophobicContact CD1-CD2 4.07Å; L744-L774 HydrophobicContact CD2-CD1 4.3Å; L744-L774 HydrophobicContact CD2-CD2 3.82Å
745	I	78.1	Confident	84.4	Confident	71 Å²	71	52.6 Å²	52.6	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-74.9	-27.2	-176	68	176.8	0	0	0	114	F741 L742 G747	F741-I745 HydrophobicContact CD1-CD1 4.31Å; F741-I745 HydrophobicContact CD1-CG2 4.4Å; F741-I745 HydrophobicContact CD2-CG2 4.42Å; F741-I745 HydrophobicContact CE1-CD1 3.98Å; F741-I745 HydrophobicContact CE1-CG2 3.95Å; F741-I745 HydrophobicContact CE2-CG2 3.96Å; F741-I745 HydrophobicContact CZ-CG2 3.71Å; F741-I745 WeakPolarHBondContact O-CG1 3.19Å; F741-I745 PolarHBondContact O-N 3.04Å; L742-I745 WeakPolarHBondContact O-CG1 2.98Å; I745-G747 VanDerWaalsContact C-N 3.27Å
746	T	76.3	Confident	84.6	Confident	25 Å²	25	51.1 Å²	51.1	15%	0.153	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.3	172.3	55.6	0	0	0	0	113	L723 L742 N748 L848 A850	L723-T746 HydrophobicContact CD1-CG2 4.1Å; L723-T746 HydrophobicContact CD2-CG2 4.25Å; L742-T746 HydrophobicContact CD1-CG2 4.44Å; L742-T746 WeakPolarHBondContact O-CB 3.34Å; L742-T746 WeakPolarHBondContact O-CG2 3.25Å; L742-T746 PolarHBondContact O-N 2.86Å; L742-T746 PolarHBondContact O-OG1 3.01Å; T746-N748 PolarHBondContact O-N 3.19Å; T746-L848 CarbonylContact C-O 2.78Å; T746-A850 PolarHBondContact O-N 3.48Å
747	G	76.7	Confident	84.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	10.2	179.5	0	0	0	0	0	115.9	Y743 L744 I745 L749 D851	Y743-G747 CarbonylContact O-C 3.47Å; Y743-G747 PolarHBondContact O-N 2.78Å; L744-G747 PolarHBondContact O-N 2.91Å; I745-G747 VanDerWaalsContact C-N 3.27Å; G747-L749 VanDerWaalsContact C-N 3.3Å; G747-L749 WeakPolarHBondContact O-CG 3.39Å; G747-L749 PolarHBondContact O-N 3.5Å; G747-D851 VanDerWaalsContact O-OD1 3.14Å
748	N	82	Confident	84.8	Confident	25 Å²	25	52.4 Å²	52.4	13%	0.134	24%	0.242	C	C	.	.			trans	-75.5	77.6	-174.3	-161.2	-54.2	0	0	0	112.3	Y743 T746 E750 K751 L752	Y743-N748 PolarHBondContact O-N 3.01Å; T746-N748 PolarHBondContact O-N 3.19Å; N748-E750 PolarHBondContact O-N 3.23Å; N748-K751 HydrophobicContact CB-CB 4.36Å; N748-K751 PolarHBondContact O-N 2.96Å; N748-K751 WeakPolarHBondContact OD1-CB 3.48Å; N748-K751 VanDerWaalsContact OD1-CG 3.25Å; N748-K751 WeakPolarHBondContact OD1-CG 3.4Å; N748-K751 PolarHBondContact OD1-N 3.27Å; N748-L752 PolarHBondContact O-N 2.92Å
749	L	80.2	Confident	84.9	Confident	57 Å²	57	48.3 Å²	48.3	30%	0.298	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-28.8	-177.6	-56.9	-175.8	0	0	0	112.7	G747 L752 R753 L775	G747-L749 VanDerWaalsContact C-N 3.3Å; G747-L749 WeakPolarHBondContact O-CG 3.39Å; G747-L749 PolarHBondContact O-N 3.5Å; L749-L752 HydrophobicContact CD2-CD2 4.47Å; L749-R753 VanDerWaalsContact O-CB 3.27Å; L749-R753 WeakPolarHBondContact O-CB 3.37Å; L749-R753 PolarHBondContact O-N 3.24Å; L749-L775 HydrophobicContact CB-CD2 4.33Å; L749-L775 HydrophobicContact CD2-CD2 4.31Å
750	E	82.9	Confident	84.9	Confident	123 Å²	123	52.1 Å²	52.1	58%	0.575	24%	0.242	S	C	*	.	H	α-helix	trans	-64.5	-51.6	173.2	-84.4	-154.7	-163.2	0	0	112.8	N748 L752 R753 K754	N748-E750 PolarHBondContact O-N 3.23Å; E750-L752 VanDerWaalsContact C-N 3.27Å; E750-L752 PolarHBondContact O-N 3.06Å; E750-R753 PolarHBondContact O-N 3.44Å; E750-K754 WeakPolarHBondContact O-CD 3.3Å; E750-K754 VanDerWaalsContact O-CG 3.29Å; E750-K754 WeakPolarHBondContact O-CG 3.46Å; E750-K754 PolarHBondContact O-N 3.15Å; E750-K754 IonicContact OE2-NZ 2.79Å; E750-K754 PolarHBondContact OE2-NZ 2.95Å
751	K	85.3	Confident	85	Confident	62 Å²	62	57.8 Å²	57.8	27%	0.27	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-33	178.9	-70.1	-175.8	-168	-168.4	0	110.9	E727 Y743 N748 K754 M755	E727-K751 IonicContact OE1-NZ 3.43Å; E727-K751 PolarHBondContact OE1-NZ 3.34Å; E727-K751 IonicContact OE2-NZ 3.83Å; E727-K751 PolarHBondContact OE2-NZ 2.96Å; Y743-K751 HydrophobicContact CD1-CB 3.79Å; Y743-K751 HydrophobicContact CD1-CD 3.95Å; Y743-K751 HydrophobicContact CD2-CB 3.64Å; Y743-K751 HydrophobicContact CE1-CB 3.77Å; Y743-K751 HydrophobicContact CE1-CD 3.39Å; Y743-K751 HydrophobicContact CE1-CG 4.2Å; Y743-K751 HydrophobicContact CE2-CB 3.61Å; Y743-K751 HydrophobicContact CG-CB 3.73Å; N748-K751 HydrophobicContact CB-CB 4.36Å; N748-K751 PolarHBondContact O-N 2.96Å; N748-K751 WeakPolarHBondContact OD1-CB 3.48Å; N748-K751 VanDerWaalsContact OD1-CG 3.25Å; N748-K751 WeakPolarHBondContact OD1-CG 3.4Å; N748-K751 PolarHBondContact OD1-N 3.27Å; K751-K754 PolarHBondContact O-N 2.88Å; K751-M755 PolarHBondContact O-N 3.37Å
752	L	86.3	Confident	85.1	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-44.2	171.2	-172	59.7	0	0	0	112.2	T740 N748 L749 E750 K754 M755 M756 I771 L774 L775	T740-L752 HydrophobicContact CG2-CD1 3.76Å; N748-L752 PolarHBondContact O-N 2.92Å; L749-L752 HydrophobicContact CD2-CD2 4.47Å; E750-L752 VanDerWaalsContact C-N 3.27Å; E750-L752 PolarHBondContact O-N 3.06Å; L752-K754 VanDerWaalsContact C-N 3.34Å; L752-K754 PolarHBondContact O-N 2.85Å; L752-M755 WeakPolarHBondContact O-CA 3.22Å; L752-M755 VanDerWaalsContact O-CB 3.32Å; L752-M755 WeakPolarHBondContact O-CB 3.17Å; L752-M755 PolarHBondContact O-N 3.04Å; L752-M755 VanDerWaalsContact O-N 3.07Å; L752-M756 PolarHBondContact O-N 3.1Å; L752-I771 HydrophobicContact CD1-CG1 4.45Å; L752-I771 HydrophobicContact CD1-CG2 3.89Å; L752-I771 HydrophobicContact CG-CG2 4.06Å; L752-I771 WeakPolarHBondContact O-CG2 3.35Å; L752-L774 HydrophobicContact CD2-CB 4.35Å; L752-L775 HydrophobicContact CB-CD2 4.16Å; L752-L775 HydrophobicContact CD2-CD2 3.77Å; L752-L775 HydrophobicContact CD2-CG 3.96Å; L752-L775 HydrophobicContact CG-CD1 4.37Å; L752-L775 HydrophobicContact CG-CD2 3.91Å; L752-L775 HydrophobicContact CG-CG 3.98Å
753	R	88.3	Confident	85.2	Confident	108 Å²	108	65.5 Å²	65.5	41%	0.408	30%	0.301	S	S	.	.	H	α-helix	trans	-66.8	-31.9	174.1	-173.2	173.9	-72	-77.7	-2	112.9	L749 E750 M756 K757 L775 D777	L749-R753 VanDerWaalsContact O-CB 3.27Å; L749-R753 WeakPolarHBondContact O-CB 3.37Å; L749-R753 PolarHBondContact O-N 3.24Å; E750-R753 PolarHBondContact O-N 3.44Å; R753-M756 WeakPolarHBondContact O-CB 3.44Å; R753-M756 PolarHBondContact O-N 2.98Å; R753-K757 PolarHBondContact O-N 2.81Å; R753-L775 HydrophobicContact CB-CD1 4.08Å; R753-D777 IonicContact CZ-OD2 3.1Å; R753-D777 VanDerWaalsContact CZ-OD2 3.27Å; R753-D777 IonicContact NH1-OD2 2.68Å; R753-D777 PolarHBondContact NH1-OD2 3.43Å; R753-D777 IonicContact NH2-OD2 3.93Å; R753-D777 PolarHBondContact NH2-OD2 3.43Å
754	K	88.1	Confident	85.3	Confident	114 Å²	114	66.7 Å²	66.7	50%	0.496	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-38.1	168.6	-69.8	159.3	-170	160.8	0	110.8	E750 K751 L752 K757 I758	E750-K754 WeakPolarHBondContact O-CD 3.3Å; E750-K754 VanDerWaalsContact O-CG 3.29Å; E750-K754 WeakPolarHBondContact O-CG 3.46Å; E750-K754 PolarHBondContact O-N 3.15Å; E750-K754 IonicContact OE2-NZ 2.79Å; E750-K754 PolarHBondContact OE2-NZ 2.95Å; K751-K754 PolarHBondContact O-N 2.88Å; L752-K754 VanDerWaalsContact C-N 3.34Å; L752-K754 PolarHBondContact O-N 2.85Å; K754-K757 PolarHBondContact O-N 3.32Å; K754-I758 WeakPolarHBondContact O-CG1 3.35Å; K754-I758 PolarHBondContact O-N 2.82Å
755	M	88.3	Confident	85.6	Confident	7 Å²	7	68 Å²	68	3%	0.034	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-35.5	173.9	-165.6	54.7	59.7	0	0	113.1	F736 L739 T740 Y743 K751 L752 K757 I758 A759 I771	F736-M755 HydrophobicContact CB-SD 4.16Å; F736-M755 HydrophobicContact CD1-CE 3.95Å; F736-M755 HydrophobicContact CD1-SD 3.65Å; F736-M755 HydrophobicContact CG-SD 4.3Å; L739-M755 HydrophobicContact CB-CE 4.44Å; L739-M755 HydrophobicContact CD2-CE 3.63Å; L739-M755 HydrophobicContact CG-CE 4.46Å; T740-M755 WeakPolarHBondContact OG1-CG 3.45Å; Y743-M755 HydrophobicContact CE2-CE 4.13Å; K751-M755 PolarHBondContact O-N 3.37Å; L752-M755 WeakPolarHBondContact O-CA 3.22Å; L752-M755 VanDerWaalsContact O-CB 3.32Å; L752-M755 WeakPolarHBondContact O-CB 3.17Å; L752-M755 PolarHBondContact O-N 3.04Å; L752-M755 VanDerWaalsContact O-N 3.07Å; M755-K757 VanDerWaalsContact C-N 3.33Å; M755-K757 PolarHBondContact O-N 2.98Å; M755-I758 HydrophobicContact CE-CD1 4.13Å; M755-I758 WeakPolarHBondContact O-CA 3.34Å; M755-I758 WeakPolarHBondContact O-CB 3.42Å; M755-I758 PolarHBondContact O-N 2.87Å; M755-I758 HydrophobicContact SD-CB 4.04Å; M755-I758 HydrophobicContact SD-CD1 4.18Å; M755-I758 HydrophobicContact SD-CG2 4.04Å; M755-A759 PolarHBondContact O-N 3.47Å; M755-I771 HydrophobicContact CB-CD1 4.2Å; M755-I771 HydrophobicContact CG-CD1 3.72Å
756	M	90.8	Very high	86.1	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.039	32%	0.322	C	S	.	.	H	α-helix	trans	-55.9	-47.6	174.4	-157.5	172.1	76.1	0	0	111.6	L752 R753 I758 A759 E760 H768 I771 A772 L775 E780	L752-M756 PolarHBondContact O-N 3.1Å; R753-M756 WeakPolarHBondContact O-CB 3.44Å; R753-M756 PolarHBondContact O-N 2.98Å; M756-I758 VanDerWaalsContact C-N 3.32Å; M756-I758 PolarHBondContact O-N 2.69Å; M756-A759 WeakPolarHBondContact O-CB 3.39Å; M756-A759 PolarHBondContact O-N 2.74Å; M756-E760 PolarHBondContact O-N 2.92Å; M756-H768 VanDerWaalsContact CG-CD2 3.41Å; M756-H768 WeakPolarHBondContact CG-CD2 3.36Å; M756-I771 HydrophobicContact CB-CB 4.35Å; M756-I771 HydrophobicContact CB-CG2 3.56Å; M756-I771 HydrophobicContact CG-CB 4.21Å; M756-I771 HydrophobicContact CG-CG2 3.81Å; M756-I771 HydrophobicContact SD-CG2 4.34Å; M756-A772 HydrophobicContact SD-CB 3.92Å; M756-L775 HydrophobicContact CB-CD1 4.38Å; M756-L775 HydrophobicContact SD-CD1 3.71Å; M756-E780 HydrophobicContact CE-CB 4.32Å; M756-E780 HydrophobicContact CE-CG 3.84Å
757	K	89.4	Confident	86.7	Confident	128 Å²	128	67.4 Å²	67.4	56%	0.557	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-33.3	175.2	-65.5	-175.1	175	-172.6	0	112.7	R753 K754 M755 E760 I761	R753-K757 PolarHBondContact O-N 2.81Å; K754-K757 PolarHBondContact O-N 3.32Å; M755-K757 VanDerWaalsContact C-N 3.33Å; M755-K757 PolarHBondContact O-N 2.98Å; K757-E760 PolarHBondContact O-N 3.38Å; K757-I761 WeakPolarHBondContact O-CB 3.32Å; K757-I761 WeakPolarHBondContact O-CD1 3.38Å; K757-I761 VanDerWaalsContact O-CG1 3.23Å; K757-I761 WeakPolarHBondContact O-CG1 3.4Å; K757-I761 PolarHBondContact O-N 3.3Å
758	I	88.3	Confident	87.4	Confident	64 Å²	64	68 Å²	68	33%	0.328	32%	0.324	S	S	.	.	H	α-helix	trans	-67.1	-38.4	173.7	-67.6	166.2	0	0	0	110.9	F736 K754 M755 M756 R762	F736-I758 HydrophobicContact CD1-CG2 4.34Å; F736-I758 HydrophobicContact CE1-CG2 4.07Å; K754-I758 WeakPolarHBondContact O-CG1 3.35Å; K754-I758 PolarHBondContact O-N 2.82Å; M755-I758 HydrophobicContact CE-CD1 4.13Å; M755-I758 WeakPolarHBondContact O-CA 3.34Å; M755-I758 WeakPolarHBondContact O-CB 3.42Å; M755-I758 PolarHBondContact O-N 2.87Å; M755-I758 HydrophobicContact SD-CB 4.04Å; M755-I758 HydrophobicContact SD-CD1 4.18Å; M755-I758 HydrophobicContact SD-CG2 4.04Å; M756-I758 VanDerWaalsContact C-N 3.32Å; M756-I758 PolarHBondContact O-N 2.69Å; I758-R762 VanDerWaalsContact O-CB 3.31Å; I758-R762 WeakPolarHBondContact O-CB 3.4Å; I758-R762 VanDerWaalsContact O-CG 3.24Å; I758-R762 WeakPolarHBondContact O-CG 3.44Å; I758-R762 PolarHBondContact O-N 2.76Å
759	A	89.2	Confident	87.7	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-41.5	173.6	0	0	0	0	0	112.1	M755 M756 R762 K763 D764 H768 I771	M755-A759 PolarHBondContact O-N 3.47Å; M756-A759 WeakPolarHBondContact O-CB 3.39Å; M756-A759 PolarHBondContact O-N 2.74Å; A759-R762 CarbonylContact O-C 3.01Å; A759-R762 PolarHBondContact O-N 3.18Å; A759-K763 PolarHBondContact O-N 3.22Å; A759-K763 VanDerWaalsContact O-N 3.08Å; A759-D764 PolarHBondContact O-N 3.1Å; A759-H768 HydrophobicContact CB-CB 3.95Å; A759-I771 HydrophobicContact CB-CD1 4.18Å
760	E	88.4	Confident	88	Confident	85 Å²	85	71.8 Å²	71.8	40%	0.397	34%	0.337	S	S	.	.	H	α-helix	trans	-57.6	-50.7	173	-168.3	176.1	-140.8	0	0	111.6	M756 K757 R762 K763 H768 K783	M756-E760 PolarHBondContact O-N 2.92Å; K757-E760 PolarHBondContact O-N 3.38Å; E760-R762 VanDerWaalsContact C-N 3.31Å; E760-R762 PolarHBondContact O-N 3.47Å; E760-K763 WeakPolarHBondContact O-CA 3.33Å; E760-K763 PolarHBondContact O-N 3.19Å; E760-H768 IonicContact OE1-CE1 2.75Å; E760-K783 IonicContact OE1-NZ 3.54Å; E760-K783 PolarHBondContact OE1-NZ 2.82Å
761	I	89.6	Confident	88.3	Confident	139 Å²	139	66 Å²	66	71%	0.713	31%	0.31	S	S	*	.	H	α-helix	trans	-62.5	-36.8	177.4	-68.4	164.2	0	0	0	111.7	K757 K763	K757-I761 WeakPolarHBondContact O-CB 3.32Å; K757-I761 WeakPolarHBondContact O-CD1 3.38Å; K757-I761 VanDerWaalsContact O-CG1 3.23Å; K757-I761 WeakPolarHBondContact O-CG1 3.4Å; K757-I761 PolarHBondContact O-N 3.3Å; I761-K763 PolarHBondContact O-N 2.97Å
762	R	88.3	Confident	88.5	Confident	110 Å²	110	63.1 Å²	63.1	42%	0.415	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-7.6	173.7	-76.3	174	57.7	-134.1	-19.8	113.8	I758 A759 E760 D764	I758-R762 VanDerWaalsContact O-CB 3.31Å; I758-R762 WeakPolarHBondContact O-CB 3.4Å; I758-R762 VanDerWaalsContact O-CG 3.24Å; I758-R762 WeakPolarHBondContact O-CG 3.44Å; I758-R762 PolarHBondContact O-N 2.76Å; A759-R762 CarbonylContact O-C 3.01Å; A759-R762 PolarHBondContact O-N 3.18Å; E760-R762 VanDerWaalsContact C-N 3.31Å; E760-R762 PolarHBondContact O-N 3.47Å; R762-D764 HydrophobicContact CB-CB 4.26Å; R762-D764 IonicContact CZ-OD2 3.53Å; R762-D764 IonicContact NH1-OD2 2.73Å; R762-D764 IonicContact NH2-OD2 3.59Å; R762-D764 PolarHBondContact NH2-OD2 3.42Å; R762-D764 PolarHBondContact O-N 2.83Å
763	K	86.2	Confident	88.5	Confident	185 Å²	185	66.5 Å²	66.5	80%	0.804	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	26.9	-170.2	-55.5	-175.3	179.8	-177.2	0	113.8	A759 E760 I761 T765	A759-K763 PolarHBondContact O-N 3.22Å; A759-K763 VanDerWaalsContact O-N 3.08Å; E760-K763 WeakPolarHBondContact O-CA 3.33Å; E760-K763 PolarHBondContact O-N 3.19Å; I761-K763 PolarHBondContact O-N 2.97Å; K763-T765 PolarHBondContact O-N 3.22Å
764	D	88	Confident	88.3	Confident	35 Å²	35	64 Å²	64	19%	0.187	31%	0.31	C	S	.	.			trans	-86.4	84.5	179.2	-174.4	-15.7	0	0	0	109.2	A759 R762 S766 S767 H768	A759-D764 PolarHBondContact O-N 3.1Å; R762-D764 HydrophobicContact CB-CB 4.26Å; R762-D764 IonicContact CZ-OD2 3.53Å; R762-D764 IonicContact NH1-OD2 2.73Å; R762-D764 IonicContact NH2-OD2 3.59Å; R762-D764 PolarHBondContact NH2-OD2 3.42Å; R762-D764 PolarHBondContact O-N 2.83Å; D764-S766 VanDerWaalsContact C-N 3.25Å; D764-S766 PolarHBondContact O-N 3.04Å; D764-S767 PolarHBondContact O-N 3.48Å; D764-S767 WeakPolarHBondContact OD1-CB 3.22Å; D764-S767 PolarHBondContact OD1-N 3.41Å; D764-S767 PolarHBondContact OD1-OG 3.42Å; D764-S767 VanDerWaalsContact OD2-CB 3.31Å; D764-S767 WeakPolarHBondContact OD2-CB 3.36Å; D764-S767 PolarHBondContact OD2-OG 2.86Å; D764-H768 VanDerWaalsContact O-CB 3.23Å; D764-H768 WeakPolarHBondContact O-CB 3.39Å; D764-H768 PolarHBondContact O-N 3.05Å
765	T	87.9	Confident	88.1	Confident	80 Å²	80	60 Å²	60	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-30.8	-176.3	50.2	0	0	0	0	113.1	K763 Y769	K763-T765 PolarHBondContact O-N 3.22Å; T765-Y769 WeakPolarHBondContact O-CB 3.42Å; T765-Y769 PolarHBondContact O-N 2.93Å
766	S	88.4	Confident	87.7	Confident	64 Å²	64	61.2 Å²	61.2	45%	0.448	31%	0.309	S	S	.	.	H	α-helix	trans	-67.1	-56.4	176.1	-177.1	0	0	0	0	110.6	D764 H768 Y769 H770	D764-S766 VanDerWaalsContact C-N 3.25Å; D764-S766 PolarHBondContact O-N 3.04Å; S766-H768 VanDerWaalsContact C-N 3.29Å; S766-H768 PolarHBondContact O-N 2.81Å; S766-Y769 PolarHBondContact O-N 3.09Å; S766-H770 VanDerWaalsContact O-CG 3.29Å; S766-H770 PolarHBondContact O-N 3.34Å; S766-H770 PolarHBondContact O-ND1 3.05Å; S766-H770 VanDerWaalsContact O-ND1 3.09Å; S766-H770 PolarHBondContact OG-CE1 3.25Å; S766-H770 VanDerWaalsContact OG-CE1 3.31Å
767	S	87.8	Confident	87.5	Confident	21 Å²	21	62.2 Å²	62.2	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-38.2	177.1	-61.4	0	0	0	0	112	D764 H770 I771	D764-S767 PolarHBondContact O-N 3.48Å; D764-S767 WeakPolarHBondContact OD1-CB 3.22Å; D764-S767 PolarHBondContact OD1-N 3.41Å; D764-S767 PolarHBondContact OD1-OG 3.42Å; D764-S767 VanDerWaalsContact OD2-CB 3.31Å; D764-S767 WeakPolarHBondContact OD2-CB 3.36Å; D764-S767 PolarHBondContact OD2-OG 2.86Å; S767-H770 PolarHBondContact O-N 3.24Å; S767-I771 WeakPolarHBondContact O-CB 3.45Å; S767-I771 WeakPolarHBondContact O-CD1 3.21Å; S767-I771 WeakPolarHBondContact O-CG1 3.45Å; S767-I771 PolarHBondContact O-N 3.16Å
768	H	91	Very high	87.3	Confident	13 Å²	13	57.3 Å²	57.3	6%	0.06	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-49.2	176.9	-168.7	175.8	0	0	0	111.1	M756 A759 E760 D764 S766 H770 I771 A772 E780 L784	M756-H768 VanDerWaalsContact CG-CD2 3.41Å; M756-H768 WeakPolarHBondContact CG-CD2 3.36Å; A759-H768 HydrophobicContact CB-CB 3.95Å; E760-H768 IonicContact OE1-CE1 2.75Å; D764-H768 VanDerWaalsContact O-CB 3.23Å; D764-H768 WeakPolarHBondContact O-CB 3.39Å; D764-H768 PolarHBondContact O-N 3.05Å; S766-H768 VanDerWaalsContact C-N 3.29Å; S766-H768 PolarHBondContact O-N 2.81Å; H768-H770 PolarHBondContact O-N 3.32Å; H768-I771 PolarHBondContact O-N 3.2Å; H768-A772 WeakPolarHBondContact O-CB 3.32Å; H768-A772 PolarHBondContact O-N 3.18Å; H768-E780 IonicContact NE2-OE2 3.22Å; H768-L784 HydrophobicContact CB-CD1 3.73Å
769	Y	89.9	Confident	87.3	Confident	57 Å²	57	56.4 Å²	56.4	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-64.7	-39.9	178.1	-170.4	-95	0	0	0	112.5	T765 S766 A772 L773 R781 L784 L785	T765-Y769 WeakPolarHBondContact O-CB 3.42Å; T765-Y769 PolarHBondContact O-N 2.93Å; S766-Y769 PolarHBondContact O-N 3.09Å; Y769-A772 PolarHBondContact O-N 3.41Å; Y769-L773 WeakPolarHBondContact O-CB 3.35Å; Y769-L773 PolarHBondContact O-N 2.81Å; Y769-R781 HydrophobicContact CD2-CB 4.33Å; Y769-R781 HydrophobicContact CD2-CG 4.08Å; Y769-R781 HydrophobicContact CE2-CB 3.74Å; Y769-R781 HydrophobicContact CE2-CG 3.69Å; Y769-R781 PolarHBondContact OH-NE 2.95Å; Y769-R781 PolarHBondContact OH-NH2 3.4Å; Y769-L784 HydrophobicContact CD2-CD2 4.21Å; Y769-L785 HydrophobicContact CE2-CD1 4.11Å; Y769-L785 HydrophobicContact CE2-CD2 4.39Å; Y769-L785 HydrophobicContact CE2-CG 4.07Å
770	H	86.8	Confident	87.3	Confident	103 Å²	103	58.4 Å²	58.4	48%	0.477	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-44	174.4	-68	139.6	0	0	0	112.4	S766 S767 H768 L773 L774	S766-H770 VanDerWaalsContact O-CG 3.29Å; S766-H770 PolarHBondContact O-N 3.34Å; S766-H770 PolarHBondContact O-ND1 3.05Å; S766-H770 VanDerWaalsContact O-ND1 3.09Å; S766-H770 PolarHBondContact OG-CE1 3.25Å; S766-H770 VanDerWaalsContact OG-CE1 3.31Å; S767-H770 PolarHBondContact O-N 3.24Å; H768-H770 PolarHBondContact O-N 3.32Å; H770-L773 WeakPolarHBondContact O-CB 3.44Å; H770-L773 PolarHBondContact O-N 2.87Å; H770-L774 VanDerWaalsContact O-CG 3.28Å; H770-L774 WeakPolarHBondContact O-CG 3.35Å; H770-L774 PolarHBondContact O-N 3.25Å
771	I	88.8	Confident	87.3	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-39.8	178.7	-65.2	160.9	0	0	0	111	T740 L752 M755 M756 A759 S767 H768 L773 L774 L775	T740-I771 HydrophobicContact CG2-CD1 4.38Å; T740-I771 HydrophobicContact CG2-CG1 3.79Å; L752-I771 HydrophobicContact CD1-CG1 4.45Å; L752-I771 HydrophobicContact CD1-CG2 3.89Å; L752-I771 HydrophobicContact CG-CG2 4.06Å; L752-I771 WeakPolarHBondContact O-CG2 3.35Å; M755-I771 HydrophobicContact CB-CD1 4.2Å; M755-I771 HydrophobicContact CG-CD1 3.72Å; M756-I771 HydrophobicContact CB-CB 4.35Å; M756-I771 HydrophobicContact CB-CG2 3.56Å; M756-I771 HydrophobicContact CG-CB 4.21Å; M756-I771 HydrophobicContact CG-CG2 3.81Å; M756-I771 HydrophobicContact SD-CG2 4.34Å; A759-I771 HydrophobicContact CB-CD1 4.18Å; S767-I771 WeakPolarHBondContact O-CB 3.45Å; S767-I771 WeakPolarHBondContact O-CD1 3.21Å; S767-I771 WeakPolarHBondContact O-CG1 3.45Å; S767-I771 PolarHBondContact O-N 3.16Å; H768-I771 PolarHBondContact O-N 3.2Å; I771-L773 VanDerWaalsContact C-N 3.33Å; I771-L773 PolarHBondContact O-N 3.47Å; I771-L774 PolarHBondContact O-N 3.05Å; I771-L775 HydrophobicContact CG2-CD1 3.8Å; I771-L775 HydrophobicContact CG2-CG 4.39Å; I771-L775 WeakPolarHBondContact O-CB 3.2Å; I771-L775 WeakPolarHBondContact O-CG 3.37Å; I771-L775 PolarHBondContact O-N 2.91Å
772	A	88.6	Confident	87.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-39.1	174.3	0	0	0	0	0	111.8	M756 H768 Y769 L775 G776 D777 E780 R781	M756-A772 HydrophobicContact SD-CB 3.92Å; H768-A772 WeakPolarHBondContact O-CB 3.32Å; H768-A772 PolarHBondContact O-N 3.18Å; Y769-A772 PolarHBondContact O-N 3.41Å; A772-L775 PolarHBondContact O-N 3.45Å; A772-G776 PolarHBondContact O-N 3.35Å; A772-G776 VanDerWaalsContact O-N 3.14Å; A772-D777 HydrophobicContact CB-CB 4.39Å; A772-D777 PolarHBondContact O-N 3.23Å; A772-E780 HydrophobicContact CB-CB 4.33Å; A772-R781 HydrophobicContact CB-CG 3.81Å
773	L	86.5	Confident	87.3	Confident	71 Å²	71	46.9 Å²	46.9	37%	0.372	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-45.1	173	-173.1	69	0	0	0	112.2	Y769 H770 I771 L775 G776	Y769-L773 WeakPolarHBondContact O-CB 3.35Å; Y769-L773 PolarHBondContact O-N 2.81Å; H770-L773 WeakPolarHBondContact O-CB 3.44Å; H770-L773 PolarHBondContact O-N 2.87Å; I771-L773 VanDerWaalsContact C-N 3.33Å; I771-L773 PolarHBondContact O-N 3.47Å; L773-L775 VanDerWaalsContact C-N 3.31Å; L773-L775 PolarHBondContact O-N 3Å; L773-G776 PolarHBondContact O-N 3.11Å
774	L	84.4	Confident	87.4	Confident	54 Å²	54	38.9 Å²	38.9	28%	0.283	22%	0.218	S	C	.	.	H	α-helix	trans	-67.5	-27.9	177.7	-68.2	171.8	0	0	0	113.5	T740 L744 L752 H770 I771 P843	T740-L774 HydrophobicContact CG2-CD1 4.27Å; L744-L774 HydrophobicContact CD1-CB 4.32Å; L744-L774 HydrophobicContact CD1-CD2 4.07Å; L744-L774 HydrophobicContact CD2-CD1 4.3Å; L744-L774 HydrophobicContact CD2-CD2 3.82Å; L752-L774 HydrophobicContact CD2-CB 4.35Å; H770-L774 VanDerWaalsContact O-CG 3.28Å; H770-L774 WeakPolarHBondContact O-CG 3.35Å; H770-L774 PolarHBondContact O-N 3.25Å; I771-L774 PolarHBondContact O-N 3.05Å; L774-P843 WeakPolarHBondContact O-CG 3.33Å
775	L	83.1	Confident	87.5	Confident	30 Å²	30	38 Å²	38	16%	0.157	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.5	174.1	-74.7	168.2	0	0	0	113.6	L749 L752 R753 M756 I771 A772 L773 D777	L749-L775 HydrophobicContact CB-CD2 4.33Å; L749-L775 HydrophobicContact CD2-CD2 4.31Å; L752-L775 HydrophobicContact CB-CD2 4.16Å; L752-L775 HydrophobicContact CD2-CD2 3.77Å; L752-L775 HydrophobicContact CD2-CG 3.96Å; L752-L775 HydrophobicContact CG-CD1 4.37Å; L752-L775 HydrophobicContact CG-CD2 3.91Å; L752-L775 HydrophobicContact CG-CG 3.98Å; R753-L775 HydrophobicContact CB-CD1 4.08Å; M756-L775 HydrophobicContact CB-CD1 4.38Å; M756-L775 HydrophobicContact SD-CD1 3.71Å; I771-L775 HydrophobicContact CG2-CD1 3.8Å; I771-L775 HydrophobicContact CG2-CG 4.39Å; I771-L775 WeakPolarHBondContact O-CB 3.2Å; I771-L775 WeakPolarHBondContact O-CG 3.37Å; I771-L775 PolarHBondContact O-N 2.91Å; A772-L775 PolarHBondContact O-N 3.45Å; L773-L775 VanDerWaalsContact C-N 3.31Å; L773-L775 PolarHBondContact O-N 3Å; L775-D777 HydrophobicContact CB-CB 4.21Å; L775-D777 PolarHBondContact O-N 3.09Å
776	G	81.1	Confident	87.4	Confident	34 Å²	34	38.3 Å²	38.3	35%	0.351	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	19.4	-169.2	0	0	0	0	0	113.8	A772 L773 V778	A772-G776 PolarHBondContact O-N 3.35Å; A772-G776 VanDerWaalsContact O-N 3.14Å; L773-G776 PolarHBondContact O-N 3.11Å; G776-V778 PolarHBondContact O-N 2.87Å
777	D	85.6	Confident	87.3	Confident	28 Å²	28	41 Å²	41	15%	0.15	21%	0.214	C	C	.	.			trans	-81.6	82.6	-173.1	-152.2	-53.6	0	0	0	111.3	R753 A772 L775 E780 R781	R753-D777 IonicContact CZ-OD2 3.1Å; R753-D777 VanDerWaalsContact CZ-OD2 3.27Å; R753-D777 IonicContact NH1-OD2 2.68Å; R753-D777 PolarHBondContact NH1-OD2 3.43Å; R753-D777 IonicContact NH2-OD2 3.93Å; R753-D777 PolarHBondContact NH2-OD2 3.43Å; A772-D777 HydrophobicContact CB-CB 4.39Å; A772-D777 PolarHBondContact O-N 3.23Å; L775-D777 HydrophobicContact CB-CB 4.21Å; L775-D777 PolarHBondContact O-N 3.09Å; D777-E780 HydrophobicContact CB-CB 4.46Å; D777-E780 PolarHBondContact OD1-N 3.43Å; D777-R781 WeakPolarHBondContact O-CG 3.35Å; D777-R781 PolarHBondContact O-N 3.3Å; D777-R781 VanDerWaalsContact O-N 3.15Å
778	V	85.3	Confident	87.2	Confident	25 Å²	25	43.1 Å²	43.1	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-42	-176.3	-173.4	0	0	0	0	111.9	G776 E780 R781 V782 H801 L803	G776-V778 PolarHBondContact O-N 2.87Å; V778-E780 PolarHBondContact O-N 2.91Å; V778-R781 WeakPolarHBondContact O-CB 3.34Å; V778-R781 PolarHBondContact O-N 3.4Å; V778-R781 VanDerWaalsContact O-N 3.13Å; V778-V782 HydrophobicContact CG1-CG2 4.34Å; V778-V782 WeakPolarHBondContact O-CG2 3.39Å; V778-V782 PolarHBondContact O-N 2.94Å; V778-H801 HydrophobicContact CB-CB 4.4Å; V778-H801 HydrophobicContact CG1-CB 3.43Å; V778-H801 VanDerWaalsContact CG1-CB 3.43Å; V778-H801 HydrophobicContact CG2-CB 4.13Å; V778-L803 HydrophobicContact CB-CD1 4.18Å; V778-L803 HydrophobicContact CG1-CD1 3.55Å; V778-L803 HydrophobicContact CG1-CG 4.32Å
779	A	88.3	Confident	86.9	Confident	46 Å²	46	45 Å²	45	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-43.4	-177.3	0	0	0	0	0	111.4	V782 K783	A779-V782 PolarHBondContact O-N 3.43Å; A779-K783 VanDerWaalsContact O-CB 3.28Å; A779-K783 WeakPolarHBondContact O-CB 3.42Å; A779-K783 PolarHBondContact O-N 3.38Å
780	E	88.5	Confident	86.7	Confident	42 Å²	42	47.3 Å²	47.3	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-33.6	174.1	-77.1	-65.5	168.1	0	0	113.2	M756 H768 A772 D777 V778 K783 L784	M756-E780 HydrophobicContact CE-CB 4.32Å; M756-E780 HydrophobicContact CE-CG 3.84Å; H768-E780 IonicContact NE2-OE2 3.22Å; A772-E780 HydrophobicContact CB-CB 4.33Å; D777-E780 HydrophobicContact CB-CB 4.46Å; D777-E780 PolarHBondContact OD1-N 3.43Å; V778-E780 PolarHBondContact O-N 2.91Å; E780-K783 PolarHBondContact O-N 2.95Å; E780-K783 IonicContact OE1-NZ 2.79Å; E780-K783 PolarHBondContact OE1-NZ 3.46Å; E780-K783 WeakPolarHBondContact OE2-CD 3.49Å; E780-K783 WeakPolarHBondContact OE2-CE 3.49Å; E780-K783 IonicContact OE2-NZ 2.73Å; E780-K783 PolarHBondContact OE2-NZ 3.17Å; E780-L784 VanDerWaalsContact O-CB 3.26Å; E780-L784 WeakPolarHBondContact O-CB 3.17Å; E780-L784 PolarHBondContact O-N 2.8Å
781	R	89.1	Confident	86.6	Confident	26 Å²	26	45.1 Å²	45.1	10%	0.098	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-47.1	171.4	-72.2	169.5	59.7	-145.4	-5.6	112	Y769 A772 D777 V778 L784 L785 H801	Y769-R781 HydrophobicContact CD2-CB 4.33Å; Y769-R781 HydrophobicContact CD2-CG 4.08Å; Y769-R781 HydrophobicContact CE2-CB 3.74Å; Y769-R781 HydrophobicContact CE2-CG 3.69Å; Y769-R781 PolarHBondContact OH-NE 2.95Å; Y769-R781 PolarHBondContact OH-NH2 3.4Å; A772-R781 HydrophobicContact CB-CG 3.81Å; D777-R781 WeakPolarHBondContact O-CG 3.35Å; D777-R781 PolarHBondContact O-N 3.3Å; D777-R781 VanDerWaalsContact O-N 3.15Å; V778-R781 WeakPolarHBondContact O-CB 3.34Å; V778-R781 PolarHBondContact O-N 3.4Å; V778-R781 VanDerWaalsContact O-N 3.13Å; R781-L784 PolarHBondContact O-N 3.08Å; R781-L785 WeakPolarHBondContact O-CB 3.49Å; R781-L785 VanDerWaalsContact O-CG 3.28Å; R781-L785 WeakPolarHBondContact O-CG 3.5Å; R781-L785 PolarHBondContact O-N 2.96Å; R781-H801 PolarHBondContact NH1-NE2 2.91Å
782	V	88.4	Confident	86.4	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-46.1	177.2	174.2	0	0	0	0	110.8	V778 A779 L784 L785 R786 A794 L803 E806 L810	V778-V782 HydrophobicContact CG1-CG2 4.34Å; V778-V782 WeakPolarHBondContact O-CG2 3.39Å; V778-V782 PolarHBondContact O-N 2.94Å; A779-V782 PolarHBondContact O-N 3.43Å; V782-L784 PolarHBondContact O-N 2.9Å; V782-L785 PolarHBondContact O-N 2.87Å; V782-R786 VanDerWaalsContact O-CB 3.27Å; V782-R786 WeakPolarHBondContact O-CB 3.47Å; V782-R786 PolarHBondContact O-N 2.53Å; V782-A794 HydrophobicContact CG1-CB 4.4Å; V782-L803 HydrophobicContact CG2-CD1 4.06Å; V782-E806 HydrophobicContact CG1-CB 4.34Å; V782-L810 HydrophobicContact CG1-CD1 4.03Å
783	K	89.8	Confident	86.3	Confident	63 Å²	63	51.1 Å²	51.1	27%	0.274	29%	0.288	S	S	.	.	H	α-helix	trans	-56	-46.3	174.8	167.1	169.8	160.8	-102.1	0	111.8	E760 A779 E780 N787	E760-K783 IonicContact OE1-NZ 3.54Å; E760-K783 PolarHBondContact OE1-NZ 2.82Å; A779-K783 VanDerWaalsContact O-CB 3.28Å; A779-K783 WeakPolarHBondContact O-CB 3.42Å; A779-K783 PolarHBondContact O-N 3.38Å; E780-K783 PolarHBondContact O-N 2.95Å; E780-K783 IonicContact OE1-NZ 2.79Å; E780-K783 PolarHBondContact OE1-NZ 3.46Å; E780-K783 WeakPolarHBondContact OE2-CD 3.49Å; E780-K783 WeakPolarHBondContact OE2-CE 3.49Å; E780-K783 IonicContact OE2-NZ 2.73Å; E780-K783 PolarHBondContact OE2-NZ 3.17Å; K783-N787 WeakPolarHBondContact O-CB 3.13Å; K783-N787 PolarHBondContact O-N 3.09Å; K783-N787 PolarHBondContact O-ND2 2.81Å; K783-N787 PolarHBondContact O-OD1 3.39Å
784	L	89	Confident	86.3	Confident	17 Å²	17	47.7 Å²	47.7	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-44.8	179.9	-167.9	151.1	0	0	0	111.9	H768 Y769 E780 R781 V782 R786 N787 C788	H768-L784 HydrophobicContact CB-CD1 3.73Å; Y769-L784 HydrophobicContact CD2-CD2 4.21Å; E780-L784 VanDerWaalsContact O-CB 3.26Å; E780-L784 WeakPolarHBondContact O-CB 3.17Å; E780-L784 PolarHBondContact O-N 2.8Å; R781-L784 PolarHBondContact O-N 3.08Å; V782-L784 PolarHBondContact O-N 2.9Å; L784-R786 PolarHBondContact O-N 2.89Å; L784-N787 PolarHBondContact O-N 3Å; L784-C788 WeakPolarHBondContact O-CB 3.48Å; L784-C788 PolarHBondContact O-N 3.16Å; L784-C788 PolarHBondContact O-SG 2.83Å; L784-C788 VanDerWaalsContact O-SG 3.41Å
785	L	89.1	Confident	86.3	Confident	16 Å²	16	46 Å²	46	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-43.4	175.8	-72.3	169.2	0	0	0	112.2	Y769 R781 V782 C788 G789 Q790 L793 A794 T797	Y769-L785 HydrophobicContact CE2-CD1 4.11Å; Y769-L785 HydrophobicContact CE2-CD2 4.39Å; Y769-L785 HydrophobicContact CE2-CG 4.07Å; R781-L785 WeakPolarHBondContact O-CB 3.49Å; R781-L785 VanDerWaalsContact O-CG 3.28Å; R781-L785 WeakPolarHBondContact O-CG 3.5Å; R781-L785 PolarHBondContact O-N 2.96Å; V782-L785 PolarHBondContact O-N 2.87Å; L785-C788 CarbonylContact O-C 3.3Å; L785-C788 PolarHBondContact O-N 2.81Å; L785-G789 PolarHBondContact O-N 2.92Å; L785-Q790 HydrophobicContact CD2-CB 4.44Å; L785-Q790 PolarHBondContact O-N 3.2Å; L785-L793 HydrophobicContact CD1-CG 4.12Å; L785-L793 HydrophobicContact CD2-CD2 3.86Å; L785-L793 HydrophobicContact CD2-CG 4.21Å; L785-A794 HydrophobicContact CB-CB 3.93Å; L785-T797 HydrophobicContact CD1-CG2 3.9Å; L785-T797 WeakPolarHBondContact CD1-OG1 3.21Å
786	R	85.5	Confident	86.4	Confident	87 Å²	87	46.8 Å²	46.8	33%	0.328	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-44.8	174	-174.1	168.3	76.3	175.7	2.8	111.4	V782 L784 C788 G789 A794 E809 L810	V782-R786 VanDerWaalsContact O-CB 3.27Å; V782-R786 WeakPolarHBondContact O-CB 3.47Å; V782-R786 PolarHBondContact O-N 2.53Å; L784-R786 PolarHBondContact O-N 2.89Å; R786-C788 VanDerWaalsContact C-N 3.34Å; R786-C788 PolarHBondContact O-N 3.16Å; R786-G789 PolarHBondContact O-N 3.09Å; R786-G789 VanDerWaalsContact O-N 3.11Å; R786-A794 HydrophobicContact CB-CB 4.33Å; R786-E809 IonicContact NH1-OE2 3.53Å; R786-E809 PolarHBondContact NH1-OE2 3.13Å; R786-L810 HydrophobicContact CG-CD2 4.25Å
787	N	86	Confident	86.6	Confident	120 Å²	120	45.8 Å²	45.8	64%	0.642	25%	0.251	S	S	*	.	H	α-helix	trans	-69.5	-28.7	178.3	-68.7	-9	0	0	0	113.2	K783 L784 G789	K783-N787 WeakPolarHBondContact O-CB 3.13Å; K783-N787 PolarHBondContact O-N 3.09Å; K783-N787 PolarHBondContact O-ND2 2.81Å; K783-N787 PolarHBondContact O-OD1 3.39Å; L784-N787 PolarHBondContact O-N 3Å; N787-G789 PolarHBondContact O-N 2.85Å
788	C	86.8	Confident	86.6	Confident	66 Å²	66	44.4 Å²	44.4	45%	0.446	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	7.8	171.2	-69.6	0	0	0	0	113.6	L784 L785 R786 Q790	L784-C788 WeakPolarHBondContact O-CB 3.48Å; L784-C788 PolarHBondContact O-N 3.16Å; L784-C788 PolarHBondContact O-SG 2.83Å; L784-C788 VanDerWaalsContact O-SG 3.41Å; L785-C788 CarbonylContact O-C 3.3Å; L785-C788 PolarHBondContact O-N 2.81Å; R786-C788 VanDerWaalsContact C-N 3.34Å; R786-C788 PolarHBondContact O-N 3.16Å; C788-Q790 PolarHBondContact O-N 2.84Å
789	G	83.9	Confident	86.5	Confident	53 Å²	53	44.4 Å²	44.4	55%	0.546	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-2.3	179	0	0	0	0	0	115.1	L785 R786 N787 K791	L785-G789 PolarHBondContact O-N 2.92Å; R786-G789 PolarHBondContact O-N 3.09Å; R786-G789 VanDerWaalsContact O-N 3.11Å; N787-G789 PolarHBondContact O-N 2.85Å; G789-K791 PolarHBondContact O-N 3.3Å
790	Q	86.9	Confident	86.2	Confident	106 Å²	106	44.3 Å²	44.3	50%	0.495	24%	0.241	S	C	.	.			trans	-82.6	56.9	-175.7	-65.8	-63	-22.1	0	0	111.8	L785 C788 L793 A794	L785-Q790 HydrophobicContact CD2-CB 4.44Å; L785-Q790 PolarHBondContact O-N 3.2Å; C788-Q790 PolarHBondContact O-N 2.84Å; Q790-L793 HydrophobicContact CB-CB 4.31Å; Q790-L793 PolarHBondContact O-N 3.43Å; Q790-A794 PolarHBondContact O-N 2.61Å
791	K	84.1	Confident	85.7	Confident	57 Å²	57	44.5 Å²	44.5	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-55.4	-41.6	-176.7	-61.7	-168	-174.9	-168.5	0	114.6	G789 L793 A794 Y795 L810 Q813 L814 L817	G789-K791 PolarHBondContact O-N 3.3Å; K791-L793 VanDerWaalsContact C-N 3.34Å; K791-L793 PolarHBondContact O-N 3.08Å; K791-A794 WeakPolarHBondContact O-CB 3.4Å; K791-A794 PolarHBondContact O-N 3.43Å; K791-Y795 PolarHBondContact O-N 2.95Å; K791-L810 HydrophobicContact CB-CD2 4.38Å; K791-L810 HydrophobicContact CG-CD2 4.48Å; K791-Q813 HydrophobicContact CD-CB 4.45Å; K791-L814 HydrophobicContact CB-CD2 4.05Å; K791-L817 HydrophobicContact CD-CD1 4.44Å
792	P	85.2	Confident	85.3	Confident	47 Å²	47	45.9 Å²	45.9	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-63.9	-37.8	177.4	-21.2	33.3	0	0	0	112.8	Y795 L796 L814 P832	P792-Y795 PolarHBondContact O-N 2.94Å; P792-L796 PolarHBondContact O-N 2.85Å; P792-L814 HydrophobicContact CG-CD2 3.92Å; P792-P832 HydrophobicContact CB-CG 3.79Å
793	L	85.6	Confident	85	Confident	82 Å²	82	47.6 Å²	47.6	43%	0.429	27%	0.273	S	S	.	.	H	α-helix	trans	-75.3	-32.5	176.8	-171.3	57.6	0	0	0	111.9	L785 Q790 K791 T797	L785-L793 HydrophobicContact CD1-CG 4.12Å; L785-L793 HydrophobicContact CD2-CD2 3.86Å; L785-L793 HydrophobicContact CD2-CG 4.21Å; Q790-L793 HydrophobicContact CB-CB 4.31Å; Q790-L793 PolarHBondContact O-N 3.43Å; K791-L793 VanDerWaalsContact C-N 3.34Å; K791-L793 PolarHBondContact O-N 3.08Å; L793-T797 WeakPolarHBondContact O-CB 3.05Å; L793-T797 WeakPolarHBondContact O-CG2 3.37Å; L793-T797 PolarHBondContact O-N 2.97Å; L793-T797 PolarHBondContact O-OG1 3.46Å
794	A	85.9	Confident	84.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-44	168.9	0	0	0	0	0	111.2	V782 L785 R786 Q790 K791 T797 S798 L810	V782-A794 HydrophobicContact CG1-CB 4.4Å; L785-A794 HydrophobicContact CB-CB 3.93Å; R786-A794 HydrophobicContact CB-CB 4.33Å; Q790-A794 PolarHBondContact O-N 2.61Å; K791-A794 WeakPolarHBondContact O-CB 3.4Å; K791-A794 PolarHBondContact O-N 3.43Å; A794-T797 WeakPolarHBondContact CA-OG1 3.47Å; A794-T797 PolarHBondContact O-N 2.83Å; A794-T797 PolarHBondContact O-OG1 3.25Å; A794-S798 PolarHBondContact O-N 3.43Å; A794-S798 PolarHBondContact O-OG 3.46Å; A794-L810 HydrophobicContact CB-CD1 3.72Å; A794-L810 HydrophobicContact CB-CD2 4.23Å
795	Y	86.2	Confident	84.3	Confident	17 Å²	17	57.2 Å²	57.2	7%	0.067	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-49.7	176.2	171.4	-92.6	0	0	0	111.6	K791 P792 T797 S798 A799 T807 L810 E811 L814 V831	K791-Y795 PolarHBondContact O-N 2.95Å; P792-Y795 PolarHBondContact O-N 2.94Å; Y795-T797 VanDerWaalsContact C-N 3.29Å; Y795-T797 PolarHBondContact O-N 3.02Å; Y795-S798 PolarHBondContact O-N 2.94Å; Y795-S798 PolarHBondContact O-OG 3.13Å; Y795-A799 VanDerWaalsContact O-CB 3.27Å; Y795-A799 WeakPolarHBondContact O-CB 3.32Å; Y795-A799 PolarHBondContact O-N 3.05Å; Y795-T807 HydrophobicContact CD2-CG2 3.84Å; Y795-T807 HydrophobicContact CE2-CG2 3.44Å; Y795-T807 VanDerWaalsContact CE2-CG2 3.44Å; Y795-L810 HydrophobicContact CD2-CB 4.28Å; Y795-E811 HydrophobicContact CD2-CB 4.17Å; Y795-E811 HydrophobicContact CE2-CB 3.75Å; Y795-E811 HydrophobicContact CE2-CG 3.91Å; Y795-L814 HydrophobicContact CD2-CD1 4.47Å; Y795-L814 HydrophobicContact CG-CD1 4.08Å; Y795-V831 HydrophobicContact CD1-CG1 4.28Å; Y795-V831 HydrophobicContact CE1-CG1 3.57Å; Y795-V831 HydrophobicContact CE2-CG1 4.15Å; Y795-V831 VanDerWaalsContact CZ-CG1 3.48Å
796	L	85.2	Confident	84	Confident	47 Å²	47	58.8 Å²	58.8	25%	0.246	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-41.4	176.7	-78.8	173.3	0	0	0	111.9	P792 T800 P832 I834	P792-L796 PolarHBondContact O-N 2.85Å; L796-T800 VanDerWaalsContact O-CB 3.23Å; L796-T800 WeakPolarHBondContact O-CB 3.41Å; L796-T800 PolarHBondContact O-N 2.85Å; L796-T800 PolarHBondContact O-OG1 2.85Å; L796-P832 HydrophobicContact CD1-CB 3.92Å; L796-P832 HydrophobicContact CD1-CG 4.18Å; L796-P832 HydrophobicContact CD2-CB 4.11Å; L796-P832 HydrophobicContact CG-CB 4.04Å; L796-P832 HydrophobicContact CG-CG 4.21Å; L796-I834 HydrophobicContact CD2-CG1 4.25Å
797	T	84.6	Confident	83.9	Confident	13 Å²	13	55.4 Å²	55.4	8%	0.08	32%	0.315	C	S	.	.	H	α-helix	trans	-69.8	-39	177.3	48	0	0	0	0	112.8	L785 L793 A794 Y795 H801	L785-T797 HydrophobicContact CD1-CG2 3.9Å; L785-T797 WeakPolarHBondContact CD1-OG1 3.21Å; L793-T797 WeakPolarHBondContact O-CB 3.05Å; L793-T797 WeakPolarHBondContact O-CG2 3.37Å; L793-T797 PolarHBondContact O-N 2.97Å; L793-T797 PolarHBondContact O-OG1 3.46Å; A794-T797 WeakPolarHBondContact CA-OG1 3.47Å; A794-T797 PolarHBondContact O-N 2.83Å; A794-T797 PolarHBondContact O-OG1 3.25Å; Y795-T797 VanDerWaalsContact C-N 3.29Å; Y795-T797 PolarHBondContact O-N 3.02Å; T797-H801 WeakPolarHBondContact O-CB 3.49Å; T797-H801 PolarHBondContact O-N 2.82Å; T797-H801 PolarHBondContact O-ND1 3.18Å
798	S	86.3	Confident	83.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-43.4	175.2	64.4	0	0	0	0	111.8	A794 Y795 H801 G802 L803 T807	A794-S798 PolarHBondContact O-N 3.43Å; A794-S798 PolarHBondContact O-OG 3.46Å; Y795-S798 PolarHBondContact O-N 2.94Å; Y795-S798 PolarHBondContact O-OG 3.13Å; S798-H801 CarbonylContact O-C 3.55Å; S798-H801 PolarHBondContact O-N 2.9Å; S798-G802 PolarHBondContact O-N 3.09Å; S798-G802 VanDerWaalsContact O-N 3.11Å; S798-L803 PolarHBondContact O-N 3.38Å; S798-T807 VanDerWaalsContact CB-OG1 3.26Å; S798-T807 WeakPolarHBondContact CB-OG1 3.4Å; S798-T807 VanDerWaalsContact OG-CA 3.3Å; S798-T807 WeakPolarHBondContact OG-CA 3.47Å; S798-T807 PolarHBondContact OG-N 3.24Å; S798-T807 PolarHBondContact OG-OG1 2.87Å
799	A	82.9	Confident	83.9	Confident	25 Å²	25	55.6 Å²	55.6	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-51.5	-178.3	0	0	0	0	0	112.1	Y795 H801 G802 T807 I834	Y795-A799 VanDerWaalsContact O-CB 3.27Å; Y795-A799 WeakPolarHBondContact O-CB 3.32Å; Y795-A799 PolarHBondContact O-N 3.05Å; A799-H801 PolarHBondContact O-N 2.95Å; A799-H801 VanDerWaalsContact O-N 3.17Å; A799-G802 PolarHBondContact O-N 2.98Å; A799-G802 VanDerWaalsContact O-N 3.13Å; A799-T807 WeakPolarHBondContact CA-OG1 3.24Å; A799-T807 HydrophobicContact CB-CG2 3.83Å; A799-T807 PolarHBondContact N-OG1 3.07Å; A799-I834 HydrophobicContact CB-CD1 3.64Å; A799-I834 HydrophobicContact CB-CG1 4.19Å
800	T	81.3	Confident	83.8	Confident	44 Å²	44	53 Å²	53	27%	0.27	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-27.9	179.4	-54.9	0	0	0	0	112.7	L796 A838	L796-T800 VanDerWaalsContact O-CB 3.23Å; L796-T800 WeakPolarHBondContact O-CB 3.41Å; L796-T800 PolarHBondContact O-N 2.85Å; L796-T800 PolarHBondContact O-OG1 2.85Å; T800-A838 HydrophobicContact CG2-CB 3.64Å
801	H	78.8	Confident	83.6	Confident	45 Å²	45	51.7 Å²	51.7	21%	0.208	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	11.8	-178.1	-57.6	67.7	0	0	0	112.8	V778 R781 T797 S798 A799 L803 L840	V778-H801 HydrophobicContact CB-CB 4.4Å; V778-H801 HydrophobicContact CG1-CB 3.43Å; V778-H801 VanDerWaalsContact CG1-CB 3.43Å; V778-H801 HydrophobicContact CG2-CB 4.13Å; R781-H801 PolarHBondContact NH1-NE2 2.91Å; T797-H801 WeakPolarHBondContact O-CB 3.49Å; T797-H801 PolarHBondContact O-N 2.82Å; T797-H801 PolarHBondContact O-ND1 3.18Å; S798-H801 CarbonylContact O-C 3.55Å; S798-H801 PolarHBondContact O-N 2.9Å; A799-H801 PolarHBondContact O-N 2.95Å; A799-H801 VanDerWaalsContact O-N 3.17Å; H801-L803 PolarHBondContact O-N 3.49Å; H801-L840 HydrophobicContact CB-CD1 4.28Å
802	G	80.5	Confident	83.6	Confident	55 Å²	55	55.7 Å²	55.7	57%	0.567	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	11.7	171	0	0	0	0	0	116.9	S798 A799 Q804	S798-G802 PolarHBondContact O-N 3.09Å; S798-G802 VanDerWaalsContact O-N 3.11Å; A799-G802 PolarHBondContact O-N 2.98Å; A799-G802 VanDerWaalsContact O-N 3.13Å; G802-Q804 VanDerWaalsContact C-N 3.3Å; G802-Q804 PolarHBondContact O-N 2.65Å
803	L	82.7	Confident	83.4	Confident	40 Å²	40	56.3 Å²	56.3	21%	0.209	29%	0.289	C	S	.	.			trans	-77.1	76.9	177.9	-72.2	176.9	0	0	0	110.8	V778 V782 S798 H801 Q805 E806 T807	V778-L803 HydrophobicContact CB-CD1 4.18Å; V778-L803 HydrophobicContact CG1-CD1 3.55Å; V778-L803 HydrophobicContact CG1-CG 4.32Å; V782-L803 HydrophobicContact CG2-CD1 4.06Å; S798-L803 PolarHBondContact O-N 3.38Å; H801-L803 PolarHBondContact O-N 3.49Å; L803-Q805 VanDerWaalsContact C-N 3.34Å; L803-Q805 PolarHBondContact O-N 2.8Å; L803-E806 HydrophobicContact CB-CB 4.45Å; L803-T807 VanDerWaalsContact O-CB 3.3Å; L803-T807 WeakPolarHBondContact O-CB 3.46Å; L803-T807 PolarHBondContact O-N 2.84Å; L803-T807 PolarHBondContact O-OG1 2.88Å
804	Q	81	Confident	83.1	Confident	147 Å²	147	52.6 Å²	52.6	69%	0.687	27%	0.27	S	S	*	.	H	α-helix	trans	-62.3	-33.3	-169.7	-65.3	-171.9	4.8	0	0	114.4	G802 K808	G802-Q804 VanDerWaalsContact C-N 3.3Å; G802-Q804 PolarHBondContact O-N 2.65Å; Q804-K808 WeakPolarHBondContact O-CG 3.47Å; Q804-K808 PolarHBondContact O-N 2.95Å
805	Q	83.3	Confident	82.7	Confident	135 Å²	135	55.6 Å²	55.6	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-71.9	-53.6	-179.3	-177.9	-178.9	-34	0	0	110.4	L803 T807 K808 E809	L803-Q805 VanDerWaalsContact C-N 3.34Å; L803-Q805 PolarHBondContact O-N 2.8Å; Q805-T807 PolarHBondContact O-N 2.91Å; Q805-K808 PolarHBondContact O-N 2.89Å; Q805-K808 VanDerWaalsContact O-N 3.13Å; Q805-E809 PolarHBondContact NE2-OE1 3.32Å; Q805-E809 PolarHBondContact O-N 3.49Å
806	E	82	Confident	82.2	Confident	49 Å²	49	57.3 Å²	57.3	23%	0.229	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-33.5	178.7	-61	94.1	139.2	0	0	111.6	V782 L803 L810	V782-E806 HydrophobicContact CG1-CB 4.34Å; L803-E806 HydrophobicContact CB-CB 4.45Å; E806-L810 WeakPolarHBondContact O-CB 3.26Å; E806-L810 WeakPolarHBondContact O-CD1 3.35Å; E806-L810 WeakPolarHBondContact O-CG 3.31Å; E806-L810 PolarHBondContact O-N 3.44Å
807	T	84.1	Confident	81.4	Confident	16 Å²	16	59.3 Å²	59.3	10%	0.098	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-50.2	173.4	-57.8	0	0	0	0	111.1	Y795 S798 A799 L803 Q805 L810 E811	Y795-T807 HydrophobicContact CD2-CG2 3.84Å; Y795-T807 HydrophobicContact CE2-CG2 3.44Å; Y795-T807 VanDerWaalsContact CE2-CG2 3.44Å; S798-T807 VanDerWaalsContact CB-OG1 3.26Å; S798-T807 WeakPolarHBondContact CB-OG1 3.4Å; S798-T807 VanDerWaalsContact OG-CA 3.3Å; S798-T807 WeakPolarHBondContact OG-CA 3.47Å; S798-T807 PolarHBondContact OG-N 3.24Å; S798-T807 PolarHBondContact OG-OG1 2.87Å; A799-T807 WeakPolarHBondContact CA-OG1 3.24Å; A799-T807 HydrophobicContact CB-CG2 3.83Å; A799-T807 PolarHBondContact N-OG1 3.07Å; L803-T807 VanDerWaalsContact O-CB 3.3Å; L803-T807 WeakPolarHBondContact O-CB 3.46Å; L803-T807 PolarHBondContact O-N 2.84Å; L803-T807 PolarHBondContact O-OG1 2.88Å; Q805-T807 PolarHBondContact O-N 2.91Å; T807-L810 PolarHBondContact O-N 2.66Å; T807-E811 WeakPolarHBondContact O-CB 3.24Å; T807-E811 PolarHBondContact O-N 2.61Å
808	K	85.5	Confident	80.3	Confident	126 Å²	126	60.3 Å²	60.3	55%	0.548	32%	0.324	S	S	.	.	H	α-helix	trans	-62.6	-45.4	176.4	-72.4	175.2	178.5	179.6	0	112.3	Q804 Q805 L810 E811 E812	Q804-K808 WeakPolarHBondContact O-CG 3.47Å; Q804-K808 PolarHBondContact O-N 2.95Å; Q805-K808 PolarHBondContact O-N 2.89Å; Q805-K808 VanDerWaalsContact O-N 3.13Å; K808-L810 PolarHBondContact O-N 3.43Å; K808-E811 PolarHBondContact O-N 2.92Å; K808-E812 WeakPolarHBondContact O-CB 3.44Å; K808-E812 WeakPolarHBondContact O-CG 3.37Å; K808-E812 PolarHBondContact O-N 3.15Å
809	E	85.4	Confident	79	Confident	63 Å²	63	67.1 Å²	67.1	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-55.7	-35.9	175.3	-74.2	178.7	-158.9	0	0	112.2	R786 Q805 Q813	R786-E809 IonicContact NH1-OE2 3.53Å; R786-E809 PolarHBondContact NH1-OE2 3.13Å; Q805-E809 PolarHBondContact NE2-OE1 3.32Å; Q805-E809 PolarHBondContact O-N 3.49Å; E809-Q813 WeakPolarHBondContact O-CG 3.47Å; E809-Q813 PolarHBondContact O-N 3.23Å; E809-Q813 PolarHBondContact O-NE2 2.92Å
810	L	82.9	Confident	77.7	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-82.7	-35	179	-72.3	165	0	0	0	112.6	V782 R786 K791 A794 Y795 E806 T807 K808 Q813 L814	V782-L810 HydrophobicContact CG1-CD1 4.03Å; R786-L810 HydrophobicContact CG-CD2 4.25Å; K791-L810 HydrophobicContact CB-CD2 4.38Å; K791-L810 HydrophobicContact CG-CD2 4.48Å; A794-L810 HydrophobicContact CB-CD1 3.72Å; A794-L810 HydrophobicContact CB-CD2 4.23Å; Y795-L810 HydrophobicContact CD2-CB 4.28Å; E806-L810 WeakPolarHBondContact O-CB 3.26Å; E806-L810 WeakPolarHBondContact O-CD1 3.35Å; E806-L810 WeakPolarHBondContact O-CG 3.31Å; E806-L810 PolarHBondContact O-N 3.44Å; T807-L810 PolarHBondContact O-N 2.66Å; K808-L810 PolarHBondContact O-N 3.43Å; L810-Q813 PolarHBondContact O-N 2.79Å; L810-L814 WeakPolarHBondContact O-CB 3.44Å; L810-L814 VanDerWaalsContact O-CG 3.26Å; L810-L814 WeakPolarHBondContact O-CG 3.39Å; L810-L814 PolarHBondContact O-N 3.18Å
811	E	82.3	Confident	76.4	Confident	78 Å²	78	74.9 Å²	74.9	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-63.9	-46.5	175.4	-160.6	172	155.4	0	0	111.5	Y795 T807 K808 Q813 L814 T815 V831	Y795-E811 HydrophobicContact CD2-CB 4.17Å; Y795-E811 HydrophobicContact CE2-CB 3.75Å; Y795-E811 HydrophobicContact CE2-CG 3.91Å; T807-E811 WeakPolarHBondContact O-CB 3.24Å; T807-E811 PolarHBondContact O-N 2.61Å; K808-E811 PolarHBondContact O-N 2.92Å; E811-Q813 VanDerWaalsContact C-N 3.31Å; E811-Q813 PolarHBondContact O-N 3Å; E811-L814 PolarHBondContact O-N 2.94Å; E811-T815 VanDerWaalsContact O-CB 3.31Å; E811-T815 WeakPolarHBondContact O-CB 3.42Å; E811-T815 PolarHBondContact O-N 2.87Å; E811-T815 PolarHBondContact O-OG1 3.13Å; E811-V831 HydrophobicContact CG-CG1 4.39Å; E811-V831 HydrophobicContact CG-CG2 4.28Å
812	E	83.9	Confident	74.9	Confident	140 Å²	140	78.7 Å²	78.7	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-59.2	-42.2	172.9	-72.4	176.2	-168.4	0	0	111.1	K808 T815 A816	K808-E812 WeakPolarHBondContact O-CB 3.44Å; K808-E812 WeakPolarHBondContact O-CG 3.37Å; K808-E812 PolarHBondContact O-N 3.15Å; E812-T815 PolarHBondContact O-N 3.49Å; E812-A816 WeakPolarHBondContact O-CB 3.3Å; E812-A816 PolarHBondContact O-N 3.43Å
813	Q	80.9	Confident	73.2	Confident	60 Å²	60	82.3 Å²	82.3	28%	0.28	44%	0.435	S	S	.	.	H	α-helix	trans	-67.7	-37.5	177.3	-77	173.9	65	0	0	113.6	K791 E809 L810 E811 L817	K791-Q813 HydrophobicContact CD-CB 4.45Å; E809-Q813 WeakPolarHBondContact O-CG 3.47Å; E809-Q813 PolarHBondContact O-N 3.23Å; E809-Q813 PolarHBondContact O-NE2 2.92Å; L810-Q813 PolarHBondContact O-N 2.79Å; E811-Q813 VanDerWaalsContact C-N 3.31Å; E811-Q813 PolarHBondContact O-N 3Å; Q813-L817 WeakPolarHBondContact O-CD1 3.21Å; Q813-L817 VanDerWaalsContact O-CG 3.26Å; Q813-L817 WeakPolarHBondContact O-CG 3.44Å; Q813-L817 PolarHBondContact O-N 3.47Å
814	L	80.1	Confident	71.6	Confident	4 Å²	4	83.7 Å²	83.7	2%	0.021	46%	0.46	C	S	.	.	H	α-helix	trans	-72.4	-38.1	176.6	-70.8	167.2	0	0	0	111.2	K791 P792 Y795 L810 E811 L817 S818 V831	K791-L814 HydrophobicContact CB-CD2 4.05Å; P792-L814 HydrophobicContact CG-CD2 3.92Å; Y795-L814 HydrophobicContact CD2-CD1 4.47Å; Y795-L814 HydrophobicContact CG-CD1 4.08Å; L810-L814 WeakPolarHBondContact O-CB 3.44Å; L810-L814 VanDerWaalsContact O-CG 3.26Å; L810-L814 WeakPolarHBondContact O-CG 3.39Å; L810-L814 PolarHBondContact O-N 3.18Å; E811-L814 PolarHBondContact O-N 2.94Å; L814-L817 PolarHBondContact O-N 3.49Å; L814-S818 PolarHBondContact O-N 2.73Å; L814-S818 PolarHBondContact O-OG 3.22Å; L814-V831 HydrophobicContact CB-CG2 4Å
815	T	77.9	Confident	69.8	Low	63 Å²	63	83.6 Å²	83.6	39%	0.387	46%	0.464	S	S	.	.	H	α-helix	trans	-68.4	-42.8	176.3	-54.3	0	0	0	0	111.4	E811 E812 L817 S818 L819	E811-T815 VanDerWaalsContact O-CB 3.31Å; E811-T815 WeakPolarHBondContact O-CB 3.42Å; E811-T815 PolarHBondContact O-N 2.87Å; E811-T815 PolarHBondContact O-OG1 3.13Å; E812-T815 PolarHBondContact O-N 3.49Å; T815-L817 VanDerWaalsContact C-N 3.32Å; T815-L817 PolarHBondContact O-N 2.86Å; T815-S818 WeakPolarHBondContact O-CB 3.44Å; T815-S818 PolarHBondContact O-N 2.82Å; T815-S818 VanDerWaalsContact O-N 3.14Å; T815-L819 HydrophobicContact CG2-CD1 4.4Å; T815-L819 WeakPolarHBondContact O-CG 3.46Å; T815-L819 PolarHBondContact O-N 3.46Å
816	A	74.2	Confident	68.1	Low	53 Å²	53	82.7 Å²	82.7	44%	0.438	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-35.1	175.1	0	0	0	0	0	112.9	E812	E812-A816 WeakPolarHBondContact O-CB 3.3Å; E812-A816 PolarHBondContact O-N 3.43Å
817	L	68.8	Low	66.4	Low	89 Å²	89	87.5 Å²	87.5	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-67.6	-41.2	171.3	-74.8	166.4	0	0	0	111.6	K791 Q813 L814 T815 L819 Q820	K791-L817 HydrophobicContact CD-CD1 4.44Å; Q813-L817 WeakPolarHBondContact O-CD1 3.21Å; Q813-L817 VanDerWaalsContact O-CG 3.26Å; Q813-L817 WeakPolarHBondContact O-CG 3.44Å; Q813-L817 PolarHBondContact O-N 3.47Å; L814-L817 PolarHBondContact O-N 3.49Å; T815-L817 VanDerWaalsContact C-N 3.32Å; T815-L817 PolarHBondContact O-N 2.86Å; L817-L819 VanDerWaalsContact C-N 3.3Å; L817-L819 PolarHBondContact O-N 2.9Å; L817-Q820 PolarHBondContact O-N 2.9Å; L817-Q820 VanDerWaalsContact O-N 3.14Å
818	S	61.9	Low	64.7	Low	34 Å²	34	91 Å²	91	24%	0.238	52%	0.521	C	S	.	.	H	α-helix	trans	-59.3	-40.5	177.4	-54.3	0	0	0	0	112.1	L814 T815 Q820 S821	L814-S818 PolarHBondContact O-N 2.73Å; L814-S818 PolarHBondContact O-OG 3.22Å; T815-S818 WeakPolarHBondContact O-CB 3.44Å; T815-S818 PolarHBondContact O-N 2.82Å; T815-S818 VanDerWaalsContact O-N 3.14Å; S818-Q820 PolarHBondContact O-N 3.25Å; S818-S821 PolarHBondContact O-N 3.34Å; S818-S821 PolarHBondContact O-OG 3.05Å
819	L	58.6	Low	63.2	Low	144 Å²	144	89.6 Å²	89.6	75%	0.754	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-9.6	178.9	-74.1	166.3	0	0	0	114.6	T815 L817	T815-L819 HydrophobicContact CG2-CD1 4.4Å; T815-L819 WeakPolarHBondContact O-CG 3.46Å; T815-L819 PolarHBondContact O-N 3.46Å; L817-L819 VanDerWaalsContact C-N 3.3Å; L817-L819 PolarHBondContact O-N 2.9Å
820	Q	57	Low	62.2	Low	163 Å²	163	91.3 Å²	91.3	76%	0.762	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.6	175	-67.7	-175.8	-3.5	0	0	113.3	L817 S818	L817-Q820 PolarHBondContact O-N 2.9Å; L817-Q820 VanDerWaalsContact O-N 3.14Å; S818-Q820 PolarHBondContact O-N 3.25Å
821	S	52	Low	61.6	Low	68 Å²	68	93 Å²	93	48%	0.476	54%	0.544	S	S	.	.	S	Bend	trans	-73.1	139.4	174.5	-17.7	0	0	0	0	111.5	S818	S818-S821 PolarHBondContact O-N 3.34Å; S818-S821 PolarHBondContact O-OG 3.05Å
822	V	48.1	Very low	61.1	Low	125 Å²	125	91 Å²	91	76%	0.758	54%	0.538	S	S	*	.			trans	-64.6	138.6	-180	178.4	0	0	0	0	110.8	G824	V822-G824 PolarHBondContact O-N 3.35Å
823	P	44.9	Very low	60.7	Low	131 Å²	131	93.4 Å²	93.4	85%	0.851	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	107.5	177.2	25.5	-35	0	0	0	111.6
824	G	48.1	Very low	60.3	Low	70 Å²	70	94.5 Å²	94.5	72%	0.722	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.5	-50.9	178.6	0	0	0	0	0	112.4	V822	V822-G824 PolarHBondContact O-N 3.35Å
825	D	45	Very low	60	Low	145 Å²	145	99 Å²	99	78%	0.775	58%	0.58	S	S	*	*			trans	-102.8	89.4	177.4	-76	-54.7	0	0	0	111.6	N827	D825-N827 PolarHBondContact O-N 3.23Å
826	S	46.6	Very low	59.8	Low	116 Å²	116	101.6 Å²	101.6	81%	0.811	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	13.4	-173.2	65.7	0	0	0	0	116
827	N	46	Very low	59.7	Low	150 Å²	150	104.9 Å²	104.9	80%	0.802	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	11	-168.7	-81.2	0.3	0	0	0	115	D825	D825-N827 PolarHBondContact O-N 3.23Å
828	V	49.8	Very low	59.7	Low	88 Å²	88	102.9 Å²	102.9	53%	0.533	61%	0.607	S	S	.	*			trans	-105.1	87.9	179.4	-172.2	0	0	0	0	111.3	F830	V828-F830 HydrophobicContact CB-CE2 4.47Å; V828-F830 HydrophobicContact CG1-CD2 4.06Å; V828-F830 HydrophobicContact CG1-CE1 4.49Å; V828-F830 HydrophobicContact CG1-CE2 3.76Å; V828-F830 HydrophobicContact CG1-CZ 4.01Å; V828-F830 PolarHBondContact O-N 2.95Å
829	S	53.5	Low	59.9	Low	98 Å²	98	106 Å²	106	69%	0.685	63%	0.629	S	S	*	*			trans	-73	111.7	163.6	42.6	0	0	0	0	110	V831	S829-V831 PolarHBondContact O-N 3.27Å
830	F	63.1	Low	60.1	Low	99 Å²	99	103.3 Å²	103.3	43%	0.434	62%	0.615	S	S	.	*	S	Bend	trans	-74.8	-6.1	177.8	-79.4	-88.6	0	0	0	114.6	V828 P832	V828-F830 HydrophobicContact CB-CE2 4.47Å; V828-F830 HydrophobicContact CG1-CD2 4.06Å; V828-F830 HydrophobicContact CG1-CE1 4.49Å; V828-F830 HydrophobicContact CG1-CE2 3.76Å; V828-F830 HydrophobicContact CG1-CZ 4.01Å; V828-F830 PolarHBondContact O-N 2.95Å; F830-P832 WeakPolarHBondContact O-CD 3.44Å
831	V	70.8	Confident	60.3	Low	34 Å²	34	102.8 Å²	102.8	21%	0.206	62%	0.616	C	S	.	*	S	Bend	trans	-85.6	111.5	170.3	-176.8	0	0	0	0	107.8	Y795 E811 L814 S829	Y795-V831 HydrophobicContact CD1-CG1 4.28Å; Y795-V831 HydrophobicContact CE1-CG1 3.57Å; Y795-V831 HydrophobicContact CE2-CG1 4.15Å; Y795-V831 VanDerWaalsContact CZ-CG1 3.48Å; E811-V831 HydrophobicContact CG-CG1 4.39Å; E811-V831 HydrophobicContact CG-CG2 4.28Å; L814-V831 HydrophobicContact CB-CG2 4Å; S829-V831 PolarHBondContact O-N 3.27Å
832	P	72.5	Confident	60.7	Low	38 Å²	38	106.2 Å²	106.2	25%	0.247	63%	0.626	C	S	.	*	P	Polyproline II helix	trans	-75.2	141.9	-177.2	-13.1	29.6	0	0	0	111.8	P792 L796 F830	P792-P832 HydrophobicContact CB-CG 3.79Å; L796-P832 HydrophobicContact CD1-CB 3.92Å; L796-P832 HydrophobicContact CD1-CG 4.18Å; L796-P832 HydrophobicContact CD2-CB 4.11Å; L796-P832 HydrophobicContact CG-CB 4.04Å; L796-P832 HydrophobicContact CG-CG 4.21Å; F830-P832 WeakPolarHBondContact O-CD 3.44Å
833	E	75.4	Confident	61.3	Low	189 Å²	189	102.8 Å²	102.8	88%	0.883	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-65.1	143.5	173.7	-63.7	-173.1	154.5	0	0	111.7
834	I	72	Confident	62.1	Low	84 Å²	84	101.4 Å²	101.4	43%	0.431	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-93.2	120.4	-177.6	-55.4	159	0	0	0	108.5	L796 A799 S836	L796-I834 HydrophobicContact CD2-CG1 4.25Å; A799-I834 HydrophobicContact CB-CD1 3.64Å; A799-I834 HydrophobicContact CB-CG1 4.19Å; I834-S836 PolarHBondContact O-N 2.7Å
835	D	74.6	Confident	62.7	Low	97 Å²	97	102.7 Å²	102.7	52%	0.519	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-64.2	121.3	173.9	178.2	3.4	0	0	0	110.4	N837 A838	D835-N837 PolarHBondContact O-N 2.7Å; D835-N837 VanDerWaalsContact O-N 3.11Å; D835-N837 WeakPolarHBondContact OD1-CB 3.44Å; D835-N837 PolarHBondContact OD1-N 2.97Å; D835-N837 PolarHBondContact OD1-ND2 2.71Å; D835-A838 HydrophobicContact CB-CB 4.31Å; D835-A838 WeakPolarHBondContact O-CB 3.47Å; D835-A838 PolarHBondContact O-N 3.48Å
836	S	72.7	Confident	63.5	Low	119 Å²	119	97.5 Å²	97.5	83%	0.832	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-17.3	178	58.8	0	0	0	0	114.8	I834	I834-S836 PolarHBondContact O-N 2.7Å
837	N	73.5	Confident	64.2	Low	122 Å²	122	100.8 Å²	100.8	65%	0.652	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-5.7	175.7	-54.9	-81	0	0	0	113.4	D835 S839	D835-N837 PolarHBondContact O-N 2.7Å; D835-N837 VanDerWaalsContact O-N 3.11Å; D835-N837 WeakPolarHBondContact OD1-CB 3.44Å; D835-N837 PolarHBondContact OD1-N 2.97Å; D835-N837 PolarHBondContact OD1-ND2 2.71Å; N837-S839 PolarHBondContact O-N 2.72Å; N837-S839 PolarHBondContact O-OG 2.7Å
838	A	67.6	Low	64.8	Low	46 Å²	46	98.6 Å²	98.6	38%	0.38	56%	0.564	S	S	.	*			trans	-66.7	104	-175.7	0	0	0	0	0	110.9	T800 D835	T800-A838 HydrophobicContact CG2-CB 3.64Å; D835-A838 HydrophobicContact CB-CB 4.31Å; D835-A838 WeakPolarHBondContact O-CB 3.47Å; D835-A838 PolarHBondContact O-N 3.48Å
839	S	66.2	Low	65.1	Low	100 Å²	100	99.3 Å²	99.3	70%	0.699	56%	0.557	S	S	*	*			trans	-114.4	152	-173.9	45.1	0	0	0	0	112.1	N837 I841	N837-S839 PolarHBondContact O-N 2.72Å; N837-S839 PolarHBondContact O-OG 2.7Å; S839-I841 PolarHBondContact O-N 2.76Å
840	L	62.1	Low	65.2	Low	87 Å²	87	95.8 Å²	95.8	46%	0.455	53%	0.534	S	S	.	.			trans	-78.2	105.5	-168	-168.9	143.6	0	0	0	111.5	H801 M842	H801-L840 HydrophobicContact CB-CD1 4.28Å; L840-M842 VanDerWaalsContact C-N 3.3Å; L840-M842 HydrophobicContact CD2-CB 3.79Å; L840-M842 HydrophobicContact CD2-CE 3.86Å; L840-M842 HydrophobicContact CD2-CG 3.79Å; L840-M842 PolarHBondContact O-N 2.58Å
841	I	61.9	Low	64.8	Low	153 Å²	153	94 Å²	94	79%	0.785	53%	0.529	S	S	*	.			trans	-72.2	85.4	173	-53.9	176.9	0	0	0	109.1	S839	S839-I841 PolarHBondContact O-N 2.76Å
842	M	59.7	Low	63.8	Low	139 Å²	139	99.3 Å²	99.3	69%	0.685	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-81.7	126.1	169.3	-131.6	-171.3	-59.3	0	0	109	L840 S844	L840-M842 VanDerWaalsContact C-N 3.3Å; L840-M842 HydrophobicContact CD2-CB 3.79Å; L840-M842 HydrophobicContact CD2-CE 3.86Å; L840-M842 HydrophobicContact CD2-CG 3.79Å; L840-M842 PolarHBondContact O-N 2.58Å; M842-S844 PolarHBondContact O-N 3.05Å
843	P	60.3	Low	62.6	Low	54 Å²	54	103.8 Å²	103.8	35%	0.351	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-62.8	137	171	26	-32.1	0	0	0	109.7	L774	L774-P843 WeakPolarHBondContact O-CG 3.33Å
844	S	62.9	Low	61.3	Low	102 Å²	102	98.7 Å²	98.7	71%	0.713	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-58.3	141.4	-179	-51	0	0	0	0	111.2	M842	M842-S844 PolarHBondContact O-N 3.05Å
845	P	60.5	Low	60.2	Low	97 Å²	97	102.5 Å²	102.5	63%	0.63	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-59.9	137.2	178.3	25	-33.8	0	0	0	110.4
846	P	60.8	Low	58.9	Low	35 Å²	35	101.2 Å²	101.2	23%	0.227	58%	0.583	C	S	.	*	P	Polyproline II helix	trans	-63.4	137.5	-177.3	26.1	-35.3	0	0	0	110.9	L848 R849	P846-L848 PolarHBondContact O-N 3.25Å; P846-R849 HydrophobicContact CG-CG 3.92Å
847	I	61.9	Low	57.5	Low	185 Å²	185	103.3 Å²	103.3	95%	0.949	58%	0.577	S	S	*	*	S	Bend	trans	-60.1	-36	-172.9	-57.5	173.5	0	0	0	111.4
848	L	58.5	Low	56.2	Low	105 Å²	105	102.5 Å²	102.5	55%	0.55	58%	0.578	S	S	.	*	S	Bend	trans	-117.6	134.8	171.8	-166	72.6	0	0	0	108.7	T746 P846	T746-L848 CarbonylContact C-O 2.78Å; P846-L848 PolarHBondContact O-N 3.25Å
849	R	56.3	Low	55.4	Low	103 Å²	103	101.8 Å²	101.8	39%	0.389	57%	0.571	S	S	.	*			trans	-117.6	96.5	176	-84.9	-162.1	-166.9	-160.2	5.8	109.9	P846 D851 K852	P846-R849 HydrophobicContact CG-CG 3.92Å; R849-D851 WeakPolarHBondContact CA-OD1 3.29Å; R849-D851 WeakPolarHBondContact CB-OD1 3.27Å; R849-D851 WeakPolarHBondContact CG-OD1 3.45Å; R849-D851 PolarHBondContact O-N 3.35Å; R849-D851 VanDerWaalsContact O-N 3.1Å; R849-K852 HydrophobicContact CB-CG 4.48Å; R849-K852 PolarHBondContact O-N 3.19Å
850	A	56.7	Low	54.7	Low	24 Å²	24	106 Å²	106	20%	0.198	58%	0.579	C	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	-8.8	176.7	0	0	0	0	0	113.6	T746 T861	T746-A850 PolarHBondContact O-N 3.48Å; A850-T861 HydrophobicContact CB-CG2 4.01Å
851	D	53.6	Low	54.5	Low	62 Å²	62	104.3 Å²	104.3	33%	0.332	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	-12	171.7	50.5	-59.9	0	0	0	114.2	G747 R849 I853	G747-D851 VanDerWaalsContact O-OD1 3.14Å; R849-D851 WeakPolarHBondContact CA-OD1 3.29Å; R849-D851 WeakPolarHBondContact CB-OD1 3.27Å; R849-D851 WeakPolarHBondContact CG-OD1 3.45Å; R849-D851 PolarHBondContact O-N 3.35Å; R849-D851 VanDerWaalsContact O-N 3.1Å; D851-I853 PolarHBondContact O-N 2.93Å
852	K	49.9	Very low	54.5	Low	144 Å²	144	99.8 Å²	99.8	63%	0.626	55%	0.55	S	S	*	*			trans	-83.4	105.9	172.3	-79.7	-164.1	170.8	-169.1	0	111.8	R849 T854	R849-K852 HydrophobicContact CB-CG 4.48Å; R849-K852 PolarHBondContact O-N 3.19Å; K852-T854 PolarHBondContact O-N 2.97Å
853	I	48.4	Very low	54.6	Low	132 Å²	132	99.4 Å²	99.4	68%	0.677	54%	0.541	S	S	*	.			trans	-66.4	123.2	161.5	-56.6	173.8	0	0	0	107.9	D851	D851-I853 PolarHBondContact O-N 2.93Å
854	T	46.8	Very low	54.4	Low	82 Å²	82	103.1 Å²	103.1	50%	0.503	57%	0.565	S	S	.	*	B	Isolated β-bridge	trans	-114.5	125.4	169.9	39.8	0	0	0	0	107.4	K852 G856 K857	K852-T854 PolarHBondContact O-N 2.97Å; T854-G856 VanDerWaalsContact C-N 3.29Å; T854-G856 PolarHBondContact O-N 3.04Å; T854-G856 VanDerWaalsContact O-N 3.15Å; T854-K857 PolarHBondContact O-N 2.76Å; T854-K857 VanDerWaalsContact O-N 3.15Å
855	D	49	Very low	53.8	Low	165 Å²	165	103 Å²	103	88%	0.882	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.4	45.5	176.3	-50.3	-31.7	0	0	0	114.9	K857	D855-K857 PolarHBondContact O-N 3.5Å
856	G	47.2	Very low	53.1	Low	70 Å²	70	106 Å²	106	72%	0.722	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.2	-6.5	175	0	0	0	0	0	115.7	T854	T854-G856 VanDerWaalsContact C-N 3.29Å; T854-G856 PolarHBondContact O-N 3.04Å; T854-G856 VanDerWaalsContact O-N 3.15Å
857	K	43.9	Very low	52.2	Low	162 Å²	162	110 Å²	110	70%	0.704	59%	0.594	S	S	*	*	B	Isolated β-bridge	trans	-101.4	136.4	177	-67.6	172.6	-176.1	169.8	0	109.3	T854 D855 S859	T854-K857 PolarHBondContact O-N 2.76Å; T854-K857 VanDerWaalsContact O-N 3.15Å; D855-K857 PolarHBondContact O-N 3.5Å; K857-S859 PolarHBondContact O-N 3.4Å
858	P	45.4	Very low	51.3	Low	106 Å²	106	107.3 Å²	107.3	69%	0.688	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-63.4	132	167.8	28	-32.5	0	0	0	108.1	E860	P858-E860 PolarHBondContact O-N 3.22Å
859	S	50.5	Low	50.5	Low	31 Å²	31	111 Å²	111	22%	0.217	60%	0.595	C	S	.	*	P	Polyproline II helix	trans	-52.3	136.9	178.2	58.1	0	0	0	0	110.6	K857 T861	K857-S859 PolarHBondContact O-N 3.4Å; S859-T861 PolarHBondContact O-N 2.97Å; S859-T861 PolarHBondContact O-OG1 3.07Å
860	E	52.8	Low	49.8	Very low	188 Å²	188	111 Å²	111	88%	0.879	60%	0.602	S	S	*	*			trans	-52.5	113.9	178.1	-66.6	-167.3	140.8	0	0	109.5	P858	P858-E860 PolarHBondContact O-N 3.22Å
861	T	58.4	Low	49.4	Very low	52 Å²	52	114.6 Å²	114.6	32%	0.319	62%	0.618	S	S	.	*			trans	-95	-10.3	-159	1.2	0	0	0	0	113.3	L723 Q724 A850 S859	L723-T861 WeakPolarHBondContact CB-O 3.17Å; L723-T861 WeakPolarHBondContact CD1-O 3.34Å; Q724-T861 PolarHBondContact NE2-OG1 3.39Å; A850-T861 HydrophobicContact CB-CG2 4.01Å; S859-T861 PolarHBondContact O-N 2.97Å; S859-T861 PolarHBondContact O-OG1 3.07Å
862	D	60.9	Low	49.3	Very low	58 Å²	58	116.4 Å²	116.4	31%	0.31	62%	0.623	S	S	.	*	S	Bend	trans	-95.5	149.8	173.4	-72.5	-4.8	0	0	0	109.1	G721 K722 L723 Q724	G721-D862 WeakPolarHBondContact O-CA 3.44Å; G721-D862 WeakPolarHBondContact O-CB 3.49Å; K722-D862 VanDerWaalsContact CA-CG 3.5Å; K722-D862 WeakPolarHBondContact CA-OD2 3.33Å; L723-D862 PolarHBondContact N-OD1 3.18Å; Q724-D862 PolarHBondContact N-OD1 3.03Å
863	W	62.5	Low	49.2	Very low	131 Å²	131	110.3 Å²	110.3	50%	0.496	60%	0.597	S	S	.	*			trans	-70.7	148.7	-179.5	-69.3	-20.9	0	0	0	112.1	G721 L723 L865	G721-W863 PolarHBondContact O-N 3.16Å; L723-W863 HydrophobicContact CD1-CD2 4.45Å; L723-W863 HydrophobicContact CD1-CG 4.23Å; W863-L865 PolarHBondContact O-N 2.81Å
864	P	56	Low	49.4	Very low	131 Å²	131	106.7 Å²	106.7	85%	0.851	58%	0.577	S	S	*	*			trans	-61.5	109.5	178	24.9	-34.1	0	0	0	110.8
865	L	49.2	Very low	49.6	Very low	101 Å²	101	105.7 Å²	105.7	53%	0.529	57%	0.571	S	S	.	*			trans	-63.1	138.5	176.5	-85.5	158.7	0	0	0	111	Q720 W863 S867	Q720-L865 HydrophobicContact CB-CD2 4.18Å; Q720-L865 WeakPolarHBondContact O-CD2 3.39Å; W863-L865 PolarHBondContact O-N 2.81Å; L865-S867 PolarHBondContact O-N 3.12Å
866	L	45.5	Very low	49.7	Very low	158 Å²	158	99.6 Å²	99.6	83%	0.827	54%	0.543	S	S	*	.			trans	-59.7	136.8	161.9	-119.8	81.5	0	0	0	108.7	I868	L866-I868 VanDerWaalsContact C-N 3.27Å; L866-I868 PolarHBondContact O-N 3.08Å
867	S	42.4	Very low	49.7	Very low	119 Å²	119	99.2 Å²	99.2	83%	0.832	52%	0.524	S	S	*	.			trans	-71.8	80.6	178.1	42.3	0	0	0	0	111.6	L865 Q869	L865-S867 PolarHBondContact O-N 3.12Å; S867-Q869 PolarHBondContact O-N 2.92Å
868	I	44.5	Very low	50	Low	129 Å²	129	93.3 Å²	93.3	66%	0.662	51%	0.506	S	S	*	.			trans	-55.4	125.9	164.2	-58.3	175.4	0	0	0	107.2	L866 L870	L866-I868 VanDerWaalsContact C-N 3.27Å; L866-I868 PolarHBondContact O-N 3.08Å; I868-L870 PolarHBondContact O-N 3.23Å; I868-L870 VanDerWaalsContact O-N 3.1Å
869	Q	40.8	Very low	50.1	Low	183 Å²	183	95.3 Å²	95.3	86%	0.855	51%	0.506	S	S	*	.			trans	-68.9	109.9	175.9	-70.3	-175.3	-17.9	0	0	108.6	S867 D871	S867-Q869 PolarHBondContact O-N 2.92Å; Q869-D871 PolarHBondContact O-N 3Å
870	L	40.9	Very low	49.7	Very low	103 Å²	103	101.1 Å²	101.1	54%	0.539	52%	0.523	S	S	.	.			trans	-55.7	117.5	177.8	-58	175.6	0	0	0	109.5	I868 E874 T875	I868-L870 PolarHBondContact O-N 3.23Å; I868-L870 VanDerWaalsContact O-N 3.1Å; L870-E874 HydrophobicContact CB-CB 4.12Å; L870-E874 HydrophobicContact CD2-CB 4.41Å; L870-E874 VanDerWaalsContact CD2-OE2 3.27Å; L870-E874 WeakPolarHBondContact CD2-OE2 3.3Å; L870-T875 HydrophobicContact CB-CG2 4.35Å
871	D	48.1	Very low	49.1	Very low	100 Å²	100	98.9 Å²	98.9	54%	0.535	51%	0.506	S	S	.	.			trans	-68.7	169.8	-179.6	-151.8	-24.3	0	0	0	110.7	Q869 F873 E874 T875	Q869-D871 PolarHBondContact O-N 3Å; D871-F873 PolarHBondContact O-N 3.46Å; D871-F873 VanDerWaalsContact O-N 3.09Å; D871-E874 PolarHBondContact O-N 3.39Å; D871-T875 PolarHBondContact O-N 2.89Å; D871-T875 PolarHBondContact O-OG1 3.01Å; D871-T875 VanDerWaalsContact O-OG1 3.06Å
872	F	52.6	Low	48.2	Very low	99 Å²	99	101.1 Å²	101.1	43%	0.434	52%	0.516	S	S	.	.	H	α-helix	trans	-53.1	-33.2	-176.2	178	-96.3	0	0	0	113.3	Y644 T875 A876	Y644-F872 HydrophobicContact CG-CD1 4.44Å; Y644-F872 HydrophobicContact CG-CE1 4.37Å; F872-T875 WeakPolarHBondContact CA-OG1 3.43Å; F872-T875 PolarHBondContact O-OG1 3.38Å; F872-A876 WeakPolarHBondContact O-CB 3.43Å; F872-A876 PolarHBondContact O-N 3.22Å
873	F	48.3	Very low	47.1	Very low	17 Å²	17	101.8 Å²	101.8	8%	0.075	53%	0.53	C	S	.	.	H	α-helix	trans	-72.7	-41.6	176.2	-71.4	-78.6	0	0	0	112.4	Y644 L648 V673 D871 A876 I877	Y644-F873 HydrophobicContact CD1-CE2 4.06Å; Y644-F873 AromaticContact CD1-CZ 3.75Å; Y644-F873 HydrophobicContact CD1-CZ 3.75Å; Y644-F873 HydrophobicContact CE1-CE2 4.42Å; Y644-F873 HydrophobicContact CE1-CZ 4.49Å; Y644-F873 HydrophobicContact CG-CZ 4.33Å; L648-F873 HydrophobicContact CD1-CD1 4.41Å; L648-F873 HydrophobicContact CD1-CE1 4.07Å; L648-F873 HydrophobicContact CD2-CD1 4.26Å; L648-F873 HydrophobicContact CD2-CE1 3.97Å; L648-F873 HydrophobicContact CG-CE1 3.99Å; V673-F873 HydrophobicContact CG2-CD1 4.45Å; V673-F873 HydrophobicContact CG2-CD2 4.15Å; V673-F873 HydrophobicContact CG2-CE1 3.98Å; V673-F873 HydrophobicContact CG2-CE2 3.65Å; V673-F873 HydrophobicContact CG2-CZ 3.55Å; D871-F873 PolarHBondContact O-N 3.46Å; D871-F873 VanDerWaalsContact O-N 3.09Å; F873-A876 PolarHBondContact O-N 3.33Å; F873-I877 WeakPolarHBondContact O-CB 3.35Å; F873-I877 WeakPolarHBondContact O-CD1 3.4Å; F873-I877 WeakPolarHBondContact O-CG1 3.43Å; F873-I877 PolarHBondContact O-N 3.25Å
874	E	51.6	Low	45.8	Very low	56 Å²	56	98.8 Å²	98.8	26%	0.262	53%	0.533	S	S	.	.	H	α-helix	trans	-68.2	-38.6	178.8	-64.5	-157.2	132.1	0	0	112.1	Q693 L870 D871 A876 I877 A878	Q693-E874 PolarHBondContact NE2-OE1 2.8Å; L870-E874 HydrophobicContact CB-CB 4.12Å; L870-E874 HydrophobicContact CD2-CB 4.41Å; L870-E874 VanDerWaalsContact CD2-OE2 3.27Å; L870-E874 WeakPolarHBondContact CD2-OE2 3.3Å; D871-E874 PolarHBondContact O-N 3.39Å; E874-A876 PolarHBondContact O-N 3.33Å; E874-I877 PolarHBondContact O-N 2.83Å; E874-A878 VanDerWaalsContact O-CB 3.32Å; E874-A878 WeakPolarHBondContact O-CB 3.43Å; E874-A878 PolarHBondContact O-N 3.28Å
875	T	50.9	Low	44.9	Very low	61 Å²	61	98.5 Å²	98.5	37%	0.374	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-42.3	172.6	32.6	0	0	0	0	112.3	L870 D871 F872 I877 A878 Q879	L870-T875 HydrophobicContact CB-CG2 4.35Å; D871-T875 PolarHBondContact O-N 2.89Å; D871-T875 PolarHBondContact O-OG1 3.01Å; D871-T875 VanDerWaalsContact O-OG1 3.06Å; F872-T875 WeakPolarHBondContact CA-OG1 3.43Å; F872-T875 PolarHBondContact O-OG1 3.38Å; T875-I877 VanDerWaalsContact C-N 3.3Å; T875-I877 PolarHBondContact O-N 2.85Å; T875-A878 PolarHBondContact O-N 2.84Å; T875-Q879 WeakPolarHBondContact O-CG 3.44Å; T875-Q879 PolarHBondContact O-N 2.92Å; T875-Q879 VanDerWaalsContact O-N 3.11Å
876	A	51.2	Low	44.1	Very low	36 Å²	36	102.4 Å²	102.4	30%	0.298	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-27.3	174.3	0	0	0	0	0	113.7	F872 F873 E874	F872-A876 WeakPolarHBondContact O-CB 3.43Å; F872-A876 PolarHBondContact O-N 3.22Å; F873-A876 PolarHBondContact O-N 3.33Å; E874-A876 PolarHBondContact O-N 3.33Å
877	I	47.1	Very low	43.4	Very low	63 Å²	63	99.1 Å²	99.1	32%	0.323	53%	0.527	S	S	.	.	H	α-helix	trans	-81.3	-38.8	175.3	-69.1	163.2	0	0	0	111.3	F873 E874 T875 R880 R881	F873-I877 WeakPolarHBondContact O-CB 3.35Å; F873-I877 WeakPolarHBondContact O-CD1 3.4Å; F873-I877 WeakPolarHBondContact O-CG1 3.43Å; F873-I877 PolarHBondContact O-N 3.25Å; E874-I877 PolarHBondContact O-N 2.83Å; T875-I877 VanDerWaalsContact C-N 3.3Å; T875-I877 PolarHBondContact O-N 2.85Å; I877-R880 CarbonylContact O-C 3.51Å; I877-R880 WeakPolarHBondContact O-CA 3.46Å; I877-R880 VanDerWaalsContact O-CB 3.24Å; I877-R880 WeakPolarHBondContact O-CB 3.4Å; I877-R880 PolarHBondContact O-N 2.94Å; I877-R881 PolarHBondContact O-N 3.24Å
878	A	49.8	Very low	42.8	Very low	38 Å²	38	100 Å²	100	31%	0.314	52%	0.522	S	S	.	.	H	α-helix	trans	-63	-43.3	177	0	0	0	0	0	111.6	E874 T875 R880 R881 N882	E874-A878 VanDerWaalsContact O-CB 3.32Å; E874-A878 WeakPolarHBondContact O-CB 3.43Å; E874-A878 PolarHBondContact O-N 3.28Å; T875-A878 PolarHBondContact O-N 2.84Å; A878-R880 PolarHBondContact O-N 2.63Å; A878-R881 PolarHBondContact O-N 3.12Å; A878-N882 WeakPolarHBondContact O-CB 3.38Å; A878-N882 PolarHBondContact O-N 2.74Å
879	Q	47.8	Very low	42	Very low	148 Å²	148	100.9 Å²	100.9	69%	0.692	53%	0.528	S	S	*	.	H	α-helix	trans	-55.7	-35.1	170.3	-73.2	-180	-1.8	0	0	112.1	T875 A883	T875-Q879 WeakPolarHBondContact O-CG 3.44Å; T875-Q879 PolarHBondContact O-N 2.92Å; T875-Q879 VanDerWaalsContact O-N 3.11Å; Q879-A883 VanDerWaalsContact O-CB 3.26Å; Q879-A883 WeakPolarHBondContact O-CB 3.25Å; Q879-A883 PolarHBondContact O-N 2.9Å
880	R	42.9	Very low	41.3	Very low	152 Å²	152	101.2 Å²	101.2	57%	0.574	53%	0.527	S	S	*	.	H	α-helix	trans	-73.1	-44.1	176	-110.6	180	171.7	-157	-6.1	113.8	I877 A878 N882 A883 A884	I877-R880 CarbonylContact O-C 3.51Å; I877-R880 WeakPolarHBondContact O-CA 3.46Å; I877-R880 VanDerWaalsContact O-CB 3.24Å; I877-R880 WeakPolarHBondContact O-CB 3.4Å; I877-R880 PolarHBondContact O-N 2.94Å; A878-R880 PolarHBondContact O-N 2.63Å; R880-N882 VanDerWaalsContact C-N 3.31Å; R880-N882 PolarHBondContact O-N 2.6Å; R880-A883 PolarHBondContact O-N 3.15Å; R880-A884 PolarHBondContact O-N 3.28Å
881	R	40.6	Very low	40.5	Very low	142 Å²	142	103.2 Å²	103.2	54%	0.536	54%	0.538	S	S	.	.	H	α-helix	trans	-59.5	-44.3	172.9	-88.4	-176.2	169.2	178.1	-5.6	110.1	D695 I877 A878 A884 L885	D695-R881 IonicContact OD2-CZ 3.27Å; D695-R881 IonicContact OD2-NH1 2.68Å; D695-R881 PolarHBondContact OD2-NH1 3.17Å; D695-R881 IonicContact OD2-NH2 2.92Å; D695-R881 PolarHBondContact OD2-NH2 3.15Å; I877-R881 PolarHBondContact O-N 3.24Å; A878-R881 PolarHBondContact O-N 3.12Å; R881-A884 PolarHBondContact O-N 3.29Å; R881-L885 WeakPolarHBondContact O-CB 3.12Å; R881-L885 WeakPolarHBondContact O-CG 3.15Å; R881-L885 PolarHBondContact O-N 3.42Å
882	N	38.2	Very low	39.4	Very low	98 Å²	98	106 Å²	106	52%	0.524	55%	0.553	S	S	.	*	H	α-helix	trans	-68.7	-36.3	179	-69.1	-5.6	0	0	0	113	A878 R880 A884 K886	A878-N882 WeakPolarHBondContact O-CB 3.38Å; A878-N882 PolarHBondContact O-N 2.74Å; R880-N882 VanDerWaalsContact C-N 3.31Å; R880-N882 PolarHBondContact O-N 2.6Å; N882-A884 VanDerWaalsContact C-N 3.33Å; N882-K886 WeakPolarHBondContact O-CB 3.39Å; N882-K886 WeakPolarHBondContact O-CG 3.49Å; N882-K886 PolarHBondContact O-N 3.46Å; N882-K886 VanDerWaalsContact O-N 3.13Å
883	A	37.6	Very low	38.1	Very low	72 Å²	72	110.2 Å²	110.2	60%	0.595	57%	0.574	S	S	*	*	H	α-helix	trans	-66.2	-33.5	173.2	0	0	0	0	0	112.9	Q879 R880	Q879-A883 VanDerWaalsContact O-CB 3.26Å; Q879-A883 WeakPolarHBondContact O-CB 3.25Å; Q879-A883 PolarHBondContact O-N 2.9Å; R880-A883 PolarHBondContact O-N 3.15Å
884	A	36.3	Very low	36.9	Very low	69 Å²	69	117.6 Å²	117.6	57%	0.57	61%	0.609	S	S	*	*	H	α-helix	trans	-77.3	-36.3	176.7	0	0	0	0	0	113.1	R880 R881 N882 S887	R880-A884 PolarHBondContact O-N 3.28Å; R881-A884 PolarHBondContact O-N 3.29Å; N882-A884 VanDerWaalsContact C-N 3.33Å; A884-S887 PolarHBondContact O-OG 3.2Å
885	L	36.3	Very low	35.5	Very low	124 Å²	124	120.4 Å²	120.4	65%	0.649	63%	0.626	S	S	*	*	H	α-helix	trans	-74.7	-29	179.3	-73.3	164.5	0	0	0	113	R881 S887 N888	R881-L885 WeakPolarHBondContact O-CB 3.12Å; R881-L885 WeakPolarHBondContact O-CG 3.15Å; R881-L885 PolarHBondContact O-N 3.42Å; L885-S887 PolarHBondContact O-N 3.47Å; L885-S887 VanDerWaalsContact O-N 3.08Å; L885-N888 PolarHBondContact O-N 3.35Å
886	K	32.3	Very low	34.1	Very low	184 Å²	184	123 Å²	123	80%	0.8	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	1.2	179.8	-82.3	-171.8	173.4	-164.1	0	115.8	N882	N882-K886 WeakPolarHBondContact O-CB 3.39Å; N882-K886 WeakPolarHBondContact O-CG 3.49Å; N882-K886 PolarHBondContact O-N 3.46Å; N882-K886 VanDerWaalsContact O-N 3.13Å
887	S	32.4	Very low	32.7	Very low	89 Å²	89	128.2 Å²	128.2	62%	0.622	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-21.4	174.2	69.7	0	0	0	0	114.8	A884 L885	A884-S887 PolarHBondContact O-OG 3.2Å; L885-S887 PolarHBondContact O-N 3.47Å; L885-S887 VanDerWaalsContact O-N 3.08Å
888	N	29.5	Very low	31.5	Very low	137 Å²	137	128.3 Å²	128.3	73%	0.733	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.4	-17.3	-159.8	-89.8	41.9	0	0	0	117	L885	L885-N888 PolarHBondContact O-N 3.35Å
889	N	26.8	Very low	30.3	Very low	147 Å²	147	131 Å²	131	79%	0.786	67%	0.671	S	S	*	*			trans	-109.3	104.8	173.7	-72.5	16.5	0	0	0	109.7
890	K	25.7	Very low	29.1	Very low	190 Å²	190	126.5 Å²	126.5	83%	0.826	66%	0.664	S	S	*	*			trans	-113.5	148.9	157.1	-75.2	-171.3	173.3	-170.3	0	107.4
891	N	25.2	Very low	28.1	Very low	145 Å²	145	126 Å²	126	78%	0.775	68%	0.678	S	S	*	*			trans	70.3	127	-166.6	-38.2	0.3	0	0	0	109.3
892	D	25.7	Very low	27.2	Very low	160 Å²	160	124.8 Å²	124.8	86%	0.856	69%	0.692	S	S	*	*			cis	-122.7	133.8	15.3	-59.8	-54.1	0	0	0	112.5
893	E	23.3	Very low	26.6	Very low	187 Å²	187	127.3 Å²	127.3	87%	0.874	71%	0.71	S	S	*	*			trans	-114.4	118.4	161.2	-71.5	179.2	144.1	0	0	106.9
894	Q	23.5	Very low	25.9	Very low	172 Å²	172	128 Å²	128	80%	0.804	72%	0.716	S	S	*	*			trans	-164.4	143.7	145.1	-113.9	179.2	-75.8	0	0	113.7
895	D	22.7	Very low	25.2	Very low	115 Å²	115	130.7 Å²	130.7	62%	0.615	73%	0.731	S	S	*	*			trans	58.5	92.2	152.2	-55.7	-32	0	0	0	120.1
896	S	22.1	Very low	24.6	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	73%	0.734	S	S	*	*			trans	-138.7	106.2	134.8	-62.5	0	0	0	0	107.8
897	K	21.4	Very low	24.1	Very low	146 Å²	146	125.8 Å²	125.8	64%	0.635	74%	0.735	S	S	*	*			trans	-95.1	162.1	173.7	-87.1	-171.4	172.9	176.1	0	110	A965	K897-A965 CarbonylContact C-O 3.54Å
898	L	22.2	Very low	23.8	Very low	65 Å²	65	129.1 Å²	129.1	34%	0.34	75%	0.745	S	S	.	*			cis	101.3	42.2	28.5	-53	177.7	0	0	0	121.4	A965 D966 L967 E968	L898-A965 CarbonylContact C-O 3.54Å; L898-A965 VanDerWaalsContact CA-O 3.28Å; L898-A965 WeakPolarHBondContact CA-O 3.13Å; L898-A965 PolarHBondContact N-O 2.71Å; L898-D966 CarbonylContact C-O 3.55Å; L898-D966 WeakPolarHBondContact CA-O 3.33Å; L898-D966 HydrophobicContact CD2-CB 3.84Å; L898-D966 HydrophobicContact CG-CB 4.49Å; L898-L967 HydrophobicContact CB-CD1 4.42Å; L898-L967 HydrophobicContact CB-CG 3.99Å; L898-L967 HydrophobicContact CD2-CB 4.3Å; L898-L967 HydrophobicContact CD2-CD2 3.82Å; L898-L967 HydrophobicContact CD2-CG 3.68Å; L898-L967 HydrophobicContact CG-CG 4.33Å; L898-E968 HydrophobicContact CD2-CG 4.38Å
899	I	23.3	Very low	23.6	Very low	95 Å²	95	130 Å²	130	49%	0.487	75%	0.749	S	S	.	*			trans	-141.5	140.6	146.3	-53.3	178.5	0	0	0	110.6	D964 A965 D966	I899-D964 HydrophobicContact CB-CB 4.18Å; I899-D964 HydrophobicContact CD1-CB 4.15Å; I899-D964 HydrophobicContact CG1-CB 4.28Å; I899-D964 CarbonylContact O-C 3.3Å; I899-D964 VanDerWaalsContact O-C 3.3Å; I899-A965 CarbonylContact C-O 3.48Å; I899-A965 PolarHBondContact N-O 3.04Å; I899-A965 CarbonylContact O-C 3.59Å; I899-A965 WeakPolarHBondContact O-CA 3.29Å; I899-A965 PolarHBondContact O-N 3.5Å; I899-D966 CarbonylContact C-O 3.57Å; I899-D966 WeakPolarHBondContact CA-O 3.12Å; I899-D966 PolarHBondContact N-O 2.88Å; I899-D966 PolarHBondContact O-N 3.08Å; I899-D966 VanDerWaalsContact O-N 3.14Å
900	G	22.7	Very low	23.8	Very low	53 Å²	53	128.4 Å²	128.4	55%	0.546	74%	0.74	S	S	.	*			cis	153.4	13.6	-0.8	0	0	0	0	0	116.9	D966	G900-D966 PolarHBondContact N-O 3.04Å
901	T	22.9	Very low	23.9	Very low	143 Å²	143	127 Å²	127	88%	0.877	74%	0.741	S	S	*	*			trans	-100.5	133	-159.8	56	0	0	0	0	118.9
902	S	21.7	Very low	24.1	Very low	116 Å²	116	125.6 Å²	125.6	81%	0.811	74%	0.738	S	S	*	*			trans	-124.7	147.1	173	55.8	0	0	0	0	110.8
903	V	24.1	Very low	24.2	Very low	151 Å²	151	126.5 Å²	126.5	92%	0.915	74%	0.737	S	S	*	*			trans	-97.3	118.7	-177.3	-179.6	0	0	0	0	110.4
904	A	23	Very low	24.6	Very low	87 Å²	87	125.3 Å²	125.3	72%	0.719	74%	0.737	S	S	*	*			trans	-84	161.1	172.8	0	0	0	0	0	112.1	A906	A904-A906 PolarHBondContact O-N 2.62Å
905	S	21.8	Very low	25.3	Very low	125 Å²	125	121.2 Å²	121.2	87%	0.874	72%	0.723	S	S	*	*			trans	-62.7	115.7	-174.6	52.4	0	0	0	0	114
906	A	23.7	Very low	25.9	Very low	86 Å²	86	120.8 Å²	120.8	71%	0.711	73%	0.727	S	S	*	*			trans	-91.5	107.1	170.6	0	0	0	0	0	111.2	A904 L908	A904-A906 PolarHBondContact O-N 2.62Å; A906-L908 PolarHBondContact O-N 3.29Å
907	S	21.8	Very low	26.7	Very low	119 Å²	119	121 Å²	121	83%	0.832	72%	0.715	S	S	*	*			trans	-83.9	86.9	169.1	-178.6	0	0	0	0	109.4	L909	S907-L909 PolarHBondContact O-N 3.32Å
908	L	26.8	Very low	27.7	Very low	159 Å²	159	117.6 Å²	117.6	83%	0.832	72%	0.722	S	S	*	*			trans	-71.9	120.2	178.9	-77.2	161.7	0	0	0	111	A906	A906-L908 PolarHBondContact O-N 3.29Å
909	L	26	Very low	29	Very low	154 Å²	154	116.7 Å²	116.7	81%	0.806	72%	0.724	S	S	*	*			trans	-71.3	154.7	171.1	-72.4	159.4	0	0	0	110.1	S907	S907-L909 PolarHBondContact O-N 3.32Å
910	L	30.1	Very low	30.3	Very low	114 Å²	114	112.9 Å²	112.9	60%	0.597	70%	0.703	S	S	*	*			trans	-88.3	114.3	169.9	-79.4	159.7	0	0	0	108.1	T912	L910-T912 PolarHBondContact O-N 3.25Å
911	D	28.7	Very low	31.7	Very low	161 Å²	161	111.9 Å²	111.9	86%	0.861	69%	0.693	S	S	*	*			trans	-64	127.9	174.7	-61.8	-48.6	0	0	0	110.4
912	T	28.8	Very low	33.1	Very low	115 Å²	115	113.2 Å²	113.2	71%	0.706	69%	0.686	S	S	*	*			trans	-117.2	73.1	-176.9	56.6	0	0	0	0	111.2	L910	L910-T912 PolarHBondContact O-N 3.25Å
913	E	27.2	Very low	34.7	Very low	179 Å²	179	109.8 Å²	109.8	84%	0.836	66%	0.659	S	S	*	*			trans	-111.8	142.6	166.8	-64	-170.2	149.9	0	0	110.1
914	D	32.8	Very low	36.1	Very low	162 Å²	162	102.9 Å²	102.9	87%	0.866	62%	0.618	S	S	*	*			trans	42.7	77.8	171.4	-63.3	-8.5	0	0	0	118.3	P916	D914-P916 WeakPolarHBondContact O-CD 3.46Å
915	V	36.6	Very low	37.4	Very low	86 Å²	86	102.1 Å²	102.1	52%	0.521	60%	0.602	S	S	.	*			trans	-92.4	114.3	164	177.9	0	0	0	0	110.2	E917 T1099	V915-E917 PolarHBondContact O-N 3.39Å; V915-T1099 HydrophobicContact CG1-CG2 3.83Å; V915-T1099 HydrophobicContact CG2-CG2 3.89Å
916	P	35.3	Very low	38.7	Very low	107 Å²	107	97.3 Å²	97.3	70%	0.695	57%	0.566	S	S	*	*			trans	-71.6	117.5	177.8	-17.8	32.3	0	0	0	111.9	D914 G918	D914-P916 WeakPolarHBondContact O-CD 3.46Å; P916-G918 PolarHBondContact O-N 3.36Å; P916-G918 VanDerWaalsContact O-N 3.08Å
917	E	39.4	Very low	39.8	Very low	118 Å²	118	98 Å²	98	55%	0.551	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-62.5	-19.4	-170.6	-73.3	-160.4	116.7	0	0	115.6	V915 A919 R1187	V915-E917 PolarHBondContact O-N 3.39Å; E917-A919 PolarHBondContact O-N 3.14Å; E917-R1187 IonicContact OE1-CZ 3.59Å; E917-R1187 IonicContact OE1-NH1 2.73Å; E917-R1187 PolarHBondContact OE1-NH1 3.36Å; E917-R1187 IonicContact OE1-NH2 3.27Å; E917-R1187 PolarHBondContact OE1-NH2 3.32Å
918	G	42.8	Very low	40.9	Very low	75 Å²	75	95.1 Å²	95.1	77%	0.773	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-60.1	-18.3	-168.1	0	0	0	0	0	116.8	P916	P916-G918 PolarHBondContact O-N 3.36Å; P916-G918 VanDerWaalsContact O-N 3.08Å
919	A	49.5	Very low	41.4	Very low	46 Å²	46	95.4 Å²	95.4	38%	0.38	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-83.1	-24.2	-171.4	0	0	0	0	0	115.2	E917 K1100	E917-A919 PolarHBondContact O-N 3.14Å; A919-K1100 WeakPolarHBondContact CB-O 3.49Å
920	W	51	Low	41.8	Very low	14 Å²	14	94.5 Å²	94.5	5%	0.053	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-20.6	-178.2	-79.2	65.3	0	0	0	113.1	A924 T1098 T1099 F1103 K1152 L1184 T1185	W920-A924 HydrophobicContact CB-CB 4.49Å; W920-T1098 HydrophobicContact CZ2-CG2 4.39Å; W920-T1098 PolarHBondContact NE1-O 2.81Å; W920-T1099 PolarHBondContact NE1-O 2.93Å; W920-F1103 HydrophobicContact CD2-CE1 4.49Å; W920-F1103 HydrophobicContact CD2-CZ 4.05Å; W920-F1103 AromaticContact CE2-CE1 3.94Å; W920-F1103 AromaticContact CE2-CZ 3.96Å; W920-F1103 HydrophobicContact CE3-CZ 4.16Å; W920-F1103 HydrophobicContact CH2-CE1 4.21Å; W920-F1103 HydrophobicContact CH2-CZ 4.15Å; W920-F1103 AromaticContact CZ2-CE1 3.79Å; W920-F1103 HydrophobicContact CZ2-CE1 3.79Å; W920-F1103 HydrophobicContact CZ2-CZ 4.03Å; W920-F1103 HydrophobicContact CZ3-CZ 4.21Å; W920-K1152 PolarHBondContact O-NZ 3.28Å; W920-L1184 HydrophobicContact CD2-CB 4.24Å; W920-L1184 HydrophobicContact CD2-CD1 4.11Å; W920-L1184 HydrophobicContact CE3-CB 3.88Å; W920-L1184 HydrophobicContact CH2-CB 3.92Å; W920-L1184 HydrophobicContact CH2-CD1 4.24Å; W920-L1184 HydrophobicContact CZ2-CB 4.28Å; W920-L1184 HydrophobicContact CZ2-CD1 3.75Å; W920-L1184 HydrophobicContact CZ3-CB 3.7Å; W920-T1185 HydrophobicContact CZ3-CG2 4.41Å
921	G	51	Low	42	Very low	32 Å²	32	94.9 Å²	94.9	33%	0.33	53%	0.533	S	S	.	.			trans	90.5	165.3	168.1	0	0	0	0	0	114.5	D923 A924	G921-D923 PolarHBondContact O-N 3.13Å; G921-A924 WeakPolarHBondContact O-CB 3.32Å; G921-A924 PolarHBondContact O-N 3.19Å
922	K	53.2	Low	41.9	Very low	171 Å²	171	94.7 Å²	94.7	74%	0.743	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-52.9	-26.3	-170	-72.3	-164.6	172	-162.8	0	115.7	A924 N925	K922-A924 PolarHBondContact O-N 3.15Å; K922-A924 VanDerWaalsContact O-N 3.12Å; K922-N925 PolarHBondContact O-N 3.01Å; K922-N925 VanDerWaalsContact O-N 3.11Å
923	D	55.5	Low	41.9	Very low	44 Å²	44	98.5 Å²	98.5	24%	0.235	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-58.8	-20.7	174	-72	-5.8	0	0	0	113.2	G921 R1151 K1156 N1191	G921-D923 PolarHBondContact O-N 3.13Å; D923-R1151 IonicContact OD2-CZ 3.41Å; D923-R1151 IonicContact OD2-NH1 3.49Å; D923-R1151 PolarHBondContact OD2-NH1 2.98Å; D923-R1151 IonicContact OD2-NH2 2.76Å; D923-R1151 PolarHBondContact OD2-NH2 2.98Å; D923-K1156 IonicContact OD1-NZ 2.77Å; D923-K1156 PolarHBondContact OD1-NZ 3.48Å; D923-K1156 IonicContact OD2-NZ 3.77Å; D923-K1156 PolarHBondContact OD2-NZ 3.08Å; D923-N1191 WeakPolarHBondContact O-CB 3.26Å; D923-N1191 PolarHBondContact O-ND2 2.92Å
924	A	52.7	Low	41.9	Very low	7 Å²	7	97.6 Å²	97.6	6%	0.058	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-86.7	-17.3	177.8	0	0	0	0	0	114.2	W920 G921 K922 R1187 T1188 N1191	W920-A924 HydrophobicContact CB-CB 4.49Å; G921-A924 WeakPolarHBondContact O-CB 3.32Å; G921-A924 PolarHBondContact O-N 3.19Å; K922-A924 PolarHBondContact O-N 3.15Å; K922-A924 VanDerWaalsContact O-N 3.12Å; A924-R1187 PolarHBondContact O-NE 3.4Å; A924-T1188 HydrophobicContact CB-CG2 3.91Å; A924-N1191 PolarHBondContact O-ND2 2.79Å; A924-N1191 VanDerWaalsContact O-ND2 3.09Å
925	N	51.3	Low	41.6	Very low	71 Å²	71	99.3 Å²	99.3	38%	0.38	54%	0.544	S	S	.	.	S	Bend	trans	-77.6	133.6	-176.6	-74.4	29.3	0	0	0	111.1	K922 E927 N1191	K922-N925 PolarHBondContact O-N 3.01Å; K922-N925 VanDerWaalsContact O-N 3.11Å; N925-E927 VanDerWaalsContact C-N 3.35Å; N925-E927 PolarHBondContact O-N 2.59Å; N925-N1191 PolarHBondContact O-ND2 3.47Å
926	L	48.6	Very low	41.1	Very low	24 Å²	24	102.4 Å²	102.4	13%	0.126	56%	0.558	C	S	.	*			trans	-91.2	68	-175.4	-78.3	151.9	0	0	0	110.5	L928 R1187 N1191 Q1221 I1225	L926-L928 PolarHBondContact O-N 2.94Å; L926-R1187 HydrophobicContact CD1-CG 4.02Å; L926-R1187 VanDerWaalsContact CD1-NE 3.34Å; L926-N1191 WeakPolarHBondContact CD2-OD1 3.5Å; L926-Q1221 HydrophobicContact CB-CB 4.43Å; L926-Q1221 HydrophobicContact CD1-CB 3.88Å; L926-I1225 HydrophobicContact CD2-CD1 3.31Å
927	E	46.5	Very low	40.5	Very low	101 Å²	101	105.6 Å²	105.6	47%	0.472	56%	0.564	S	S	.	*			trans	-68	116.4	173.2	-67.1	160	161.4	0	0	109.8	N925 K1195	N925-E927 VanDerWaalsContact C-N 3.35Å; N925-E927 PolarHBondContact O-N 2.59Å; E927-K1195 IonicContact OE2-NZ 2.73Å; E927-K1195 PolarHBondContact OE2-NZ 3.21Å
928	L	44.8	Very low	39.9	Very low	58 Å²	58	107.8 Å²	107.8	30%	0.304	58%	0.579	S	S	.	*			trans	-109.8	117.7	167.5	-74.7	169.6	0	0	0	107.4	L926 E930 K1224 I1225	L926-L928 PolarHBondContact O-N 2.94Å; L928-E930 VanDerWaalsContact C-N 3.3Å; L928-E930 PolarHBondContact O-N 2.85Å; L928-K1224 HydrophobicContact CD1-CB 4.07Å; L928-K1224 HydrophobicContact CD1-CD 3.59Å; L928-K1224 HydrophobicContact CD1-CG 4.49Å; L928-I1225 HydrophobicContact CD2-CG1 4.05Å
929	D	38.4	Very low	39	Very low	164 Å²	164	111.1 Å²	111.1	88%	0.877	58%	0.579	S	S	*	*			trans	-73.4	81.4	177.1	-58.4	-48.6	0	0	0	110.2
930	E	33.6	Very low	38	Very low	136 Å²	136	116.8 Å²	116.8	64%	0.636	60%	0.601	S	S	*	*			trans	-73.2	132.1	165.3	-67.9	-173.5	-171.8	0	0	108.5	L928 N932 K1224	L928-E930 VanDerWaalsContact C-N 3.3Å; L928-E930 PolarHBondContact O-N 2.85Å; E930-N932 PolarHBondContact O-N 3.49Å; E930-K1224 IonicContact OE1-NZ 3.38Å; E930-K1224 PolarHBondContact OE1-NZ 2.82Å
931	P	33.4	Very low	36.7	Very low	121 Å²	121	119.4 Å²	119.4	79%	0.786	63%	0.632	S	S	*	*			trans	-76.6	126.5	-163.4	28.9	-35.1	0	0	0	112.9	E933	P931-E933 PolarHBondContact O-N 2.93Å; P931-E933 VanDerWaalsContact O-N 3.15Å
932	N	27.6	Very low	35.4	Very low	157 Å²	157	121.7 Å²	121.7	84%	0.84	66%	0.656	S	S	*	*			trans	-29.9	107.5	177.9	-61.8	-5.5	0	0	0	115.6	E930	E930-N932 PolarHBondContact O-N 3.49Å
933	E	28.2	Very low	34	Very low	196 Å²	196	120.8 Å²	120.8	92%	0.916	66%	0.659	S	S	*	*			trans	-100.1	139.9	146.4	-67.4	-168	145.9	0	0	108.3	P931	P931-E933 PolarHBondContact O-N 2.93Å; P931-E933 VanDerWaalsContact O-N 3.15Å
934	L	27.4	Very low	32.6	Very low	160 Å²	160	125.3 Å²	125.3	84%	0.838	69%	0.689	S	S	*	*			trans	-102.4	131.8	-173.1	-69.5	152.4	0	0	0	109.4
935	E	27.5	Very low	31.2	Very low	197 Å²	197	130.5 Å²	130.5	92%	0.921	72%	0.719	S	S	*	*			trans	-157.4	157.1	150.4	-116.7	164.3	-148.4	0	0	110.4
936	D	24.6	Very low	29.9	Very low	151 Å²	151	133.7 Å²	133.7	81%	0.807	74%	0.736	S	S	*	*			trans	-107.3	174.1	-154	-75.3	-66.8	0	0	0	115.4
937	E	24.4	Very low	28.7	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	77%	0.769	S	S	*	*			trans	58.3	117.2	159.9	-69.5	-176	174	0	0	119.8
938	L	25.1	Very low	27.4	Very low	164 Å²	164	139.8 Å²	139.8	86%	0.859	78%	0.777	S	S	*	*				-171.1	144.4	92.6	-95.8	172.5	0	0	0	112.4
939	D	25	Very low	26.4	Very low	145 Å²	145	144 Å²	144	78%	0.775	80%	0.795	S	S	*	*			trans	-98.5	126.4	177.9	175.2	23	0	0	0	111.3	G941	D939-G941 PolarHBondContact OD1-N 2.86Å
940	I	27.7	Very low	25.5	Very low	164 Å²	164	142.8 Å²	142.8	84%	0.841	79%	0.794	S	S	*	*			trans	-140.3	94.2	163.2	-54.4	-177.4	0	0	0	109.2
941	G	23.8	Very low	25	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	80%	0.804	S	S	*	*			trans	-66.6	144.3	164.9	0	0	0	0	0	112.9	D939	D939-G941 PolarHBondContact OD1-N 2.86Å
942	G	24.9	Very low	24.6	Very low	81 Å²	81	140.9 Å²	140.9	84%	0.835	80%	0.801	S	S	*	*			trans	-154.9	73.5	-176.9	0	0	0	0	0	112.7
943	D	23.9	Very low	24.4	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	80%	0.797	S	S	*	*			trans	-97.2	110.3	-173.3	-168.1	9.7	0	0	0	111.9
944	T	26.1	Very low	24.5	Very low	139 Å²	139	139.1 Å²	139.1	85%	0.853	79%	0.79	S	S	*	*			trans	-143.8	93	168.9	47.1	0	0	0	0	113.6
945	V	22.3	Very low	25.2	Very low	116 Å²	116	136.2 Å²	136.2	70%	0.703	78%	0.781	S	S	*	*			trans	-18.2	139.2	153.8	-178	0	0	0	0	118.6
946	N	23.6	Very low	25.1	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	78%	0.779	S	S	*	*			trans	-10.8	147.3	152.2	-46.9	-44	0	0	0	119.9
947	T	23.6	Very low	25.2	Very low	131 Å²	131	137 Å²	137	80%	0.804	79%	0.785	S	S	*	*				-168.6	140.1	105.6	28.1	0	0	0	0	113.9
948	N	20.7	Very low	25.2	Very low	123 Å²	123	131.2 Å²	131.2	66%	0.658	77%	0.772	S	S	*	*				14.3	148.4	123.8	-56.9	40.2	0	0	0	118
949	E	22.2	Very low	25.1	Very low	145 Å²	145	127.2 Å²	127.2	68%	0.678	77%	0.77	S	S	*	*			cis	-170.9	162.9	11.2	-127.8	166.4	-123.5	0	0	112.5
950	T	20.9	Very low	25.1	Very low	139 Å²	139	131.5 Å²	131.5	85%	0.853	78%	0.776	S	S	*	*			trans	61.3	147.9	156.3	62.6	0	0	0	0	121.7
951	G	22.4	Very low	24.9	Very low	82 Å²	82	130 Å²	130	85%	0.845	77%	0.769	S	S	*	*			trans	160.1	78.2	168.5	0	0	0	0	0	116
952	D	24.9	Very low	24.9	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	77%	0.766	S	S	*	*			trans	-89.4	138.5	-178.7	171.1	41.7	0	0	0	114
953	K	23.3	Very low	24.8	Very low	174 Å²	174	135.2 Å²	135.2	76%	0.757	76%	0.761	S	S	*	*			trans	160.2	123.8	142.4	-88.9	155.6	-169.1	172.9	0	115.5
954	N	30.8	Very low	24.8	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	75%	0.747	S	S	*	*				44.1	165	126	-65.2	9.6	0	0	0	123
955	P	41.3	Very low	24.8	Very low	99 Å²	99	129 Å²	129	64%	0.643	73%	0.73	S	S	*	*			cis	-141.5	-172	-44.6	42.5	-24.9	0	0	0	114
956	E	24.9	Very low	25	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	72%	0.723	S	S	*	*			trans	56.7	112.8	149.1	-75.8	167.9	-162	0	0	122.8
957	D	27.7	Very low	25	Very low	175 Å²	175	127.1 Å²	127.1	94%	0.936	72%	0.716	S	S	*	*			trans	-161	150.7	152.4	-151.5	13.2	0	0	0	107.7
958	G	24.2	Very low	25	Very low	53 Å²	53	128.6 Å²	128.6	55%	0.546	71%	0.714	S	S	.	*			cis	-171.2	31.7	5.7	0	0	0	0	0	117.3
959	G	22.9	Very low	25.2	Very low	80 Å²	80	130.8 Å²	130.8	83%	0.825	73%	0.725	S	S	*	*			trans	81.9	-175.4	159.9	0	0	0	0	0	121.6
960	W	25.5	Very low	25.4	Very low	235 Å²	235	129.8 Å²	129.8	89%	0.89	73%	0.731	S	S	*	*			trans	111	74.2	162.5	-65.2	89.5	0	0	0	121.7
961	D	23.5	Very low	25.6	Very low	132 Å²	132	128.1 Å²	128.1	71%	0.706	73%	0.725	S	S	*	*				53.3	136	117.5	-92.7	-4.1	0	0	0	126.5
962	I	23.2	Very low	25.8	Very low	126 Å²	126	129.9 Å²	129.9	65%	0.646	72%	0.715	S	S	*	*			trans	89.4	99.4	134.2	-71.5	167.5	0	0	0	122
963	N	23.5	Very low	25.8	Very low	135 Å²	135	132.2 Å²	132.2	72%	0.722	73%	0.726	S	S	*	*				76	162.9	128.6	-61.5	1.5	0	0	0	124.6
964	D	24.6	Very low	25.8	Very low	99 Å²	99	130.6 Å²	130.6	53%	0.529	72%	0.721	S	S	.	*			trans	59	94.3	174.2	-52.3	-11.5	0	0	0	115.7	I899	I899-D964 HydrophobicContact CB-CB 4.18Å; I899-D964 HydrophobicContact CD1-CB 4.15Å; I899-D964 HydrophobicContact CG1-CB 4.28Å; I899-D964 CarbonylContact O-C 3.3Å; I899-D964 VanDerWaalsContact O-C 3.3Å
965	A	24.4	Very low	25.4	Very low	60 Å²	60	130.7 Å²	130.7	50%	0.496	72%	0.722	S	S	.	*			cis	80.8	114.2	29.8	0	0	0	0	0	114.9	K897 L898 I899	K897-A965 CarbonylContact C-O 3.54Å; L898-A965 CarbonylContact C-O 3.54Å; L898-A965 VanDerWaalsContact CA-O 3.28Å; L898-A965 WeakPolarHBondContact CA-O 3.13Å; L898-A965 PolarHBondContact N-O 2.71Å; I899-A965 CarbonylContact C-O 3.48Å; I899-A965 PolarHBondContact N-O 3.04Å; I899-A965 CarbonylContact O-C 3.59Å; I899-A965 WeakPolarHBondContact O-CA 3.29Å; I899-A965 PolarHBondContact O-N 3.5Å
966	D	26.7	Very low	24.5	Very low	103 Å²	103	131.5 Å²	131.5	55%	0.551	73%	0.73	S	S	*	*			trans	62.7	151.7	172.9	-50.4	-35.3	0	0	0	126	L898 I899 G900	L898-D966 CarbonylContact C-O 3.55Å; L898-D966 WeakPolarHBondContact CA-O 3.33Å; L898-D966 HydrophobicContact CD2-CB 3.84Å; L898-D966 HydrophobicContact CG-CB 4.49Å; I899-D966 CarbonylContact C-O 3.57Å; I899-D966 WeakPolarHBondContact CA-O 3.12Å; I899-D966 PolarHBondContact N-O 2.88Å; I899-D966 PolarHBondContact O-N 3.08Å; I899-D966 VanDerWaalsContact O-N 3.14Å; G900-D966 PolarHBondContact N-O 3.04Å
967	L	23.9	Very low	24.3	Very low	111 Å²	111	128 Å²	128	58%	0.581	73%	0.726	S	S	*	*			trans	-177.6	104.3	141.5	-117.9	166.9	0	0	0	114.3	L898	L898-L967 HydrophobicContact CB-CD1 4.42Å; L898-L967 HydrophobicContact CB-CG 3.99Å; L898-L967 HydrophobicContact CD2-CB 4.3Å; L898-L967 HydrophobicContact CD2-CD2 3.82Å; L898-L967 HydrophobicContact CD2-CG 3.68Å; L898-L967 HydrophobicContact CG-CG 4.33Å
968	E	23.6	Very low	24.1	Very low	162 Å²	162	126.1 Å²	126.1	76%	0.757	72%	0.721	S	S	*	*			trans	26	127.5	157	-63.4	-179	176	0	0	122.7	L898	L898-E968 HydrophobicContact CD2-CG 4.38Å
969	L	24.4	Very low	24	Very low	170 Å²	170	129.3 Å²	129.3	89%	0.89	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-98.7	146.7	166.2	-81.8	133.4	0	0	0	111.4
970	P	27.4	Very low	23.9	Very low	124 Å²	124	133.3 Å²	133.3	81%	0.805	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-68.6	153.2	179.9	-18.9	32.4	0	0	0	114.5
971	S	25.1	Very low	23.8	Very low	103 Å²	103	128 Å²	128	72%	0.72	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-87	171.1	174.3	68.7	0	0	0	0	113.6
972	D	25.5	Very low	23.9	Very low	119 Å²	119	129.4 Å²	129.4	64%	0.636	73%	0.733	S	S	*	*			trans	65.7	86.9	160.1	-60.4	-66.2	0	0	0	119.2
973	L	26.4	Very low	24	Very low	185 Å²	185	132.8 Å²	132.8	97%	0.969	74%	0.743	S	S	*	*			trans	-135.1	117.5	139.7	-114.2	167.3	0	0	0	109.9
974	Q	22.1	Very low	24.2	Very low	141 Å²	141	133.3 Å²	133.3	66%	0.659	75%	0.745	S	S	*	*			trans	-98.9	150.4	-161.9	-64.5	-176.8	2.3	0	0	114.2
975	N	22.9	Very low	24.5	Very low	143 Å²	143	137.4 Å²	137.4	77%	0.765	76%	0.761	S	S	*	*			trans	46.3	108.7	140.8	-61.3	-27.2	0	0	0	120.2
976	S	22.2	Very low	25	Very low	117 Å²	117	142.6 Å²	142.6	82%	0.818	78%	0.781	S	S	*	*				-152.7	105.5	123.2	64.7	0	0	0	0	111.2
977	S	21.1	Very low	25.3	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	79%	0.785	S	S	*	*			trans	-91.6	132.8	176.4	46.2	0	0	0	0	111.2
978	T	22.2	Very low	26.1	Very low	137 Å²	137	146.3 Å²	146.3	84%	0.84	80%	0.797	S	S	*	*			trans	-112.6	111.4	175.3	-43.5	0	0	0	0	109.1
979	V	22.1	Very low	26.7	Very low	119 Å²	119	144 Å²	144	72%	0.721	79%	0.794	S	S	*	*			trans	-86.8	129.2	-173.5	177.6	0	0	0	0	110.9
980	L	22.2	Very low	27.2	Very low	164 Å²	164	139.1 Å²	139.1	86%	0.859	78%	0.778	S	S	*	*			trans	-110.7	143.5	161.4	-77.7	172.2	0	0	0	110.2
981	T	23.2	Very low	28.2	Very low	123 Å²	123	138.7 Å²	138.7	76%	0.755	78%	0.776	S	S	*	*			trans	-94.3	114	-160.7	54.5	0	0	0	0	113
982	N	25.6	Very low	29.6	Very low	163 Å²	163	138.7 Å²	138.7	87%	0.872	78%	0.776	S	S	*	*			trans	-66.4	149.3	166	-80	-17.4	0	0	0	111.7
983	K	25	Very low	30.9	Very low	197 Å²	197	139.2 Å²	139.2	86%	0.857	79%	0.786	S	S	*	*			trans	-116.5	142.4	167	-79.5	-179.2	175	175.7	0	109.3
984	N	28	Very low	32.8	Very low	145 Å²	145	133.5 Å²	133.5	78%	0.775	77%	0.772	S	S	*	*			trans	-66	138.5	-177	-40.6	-3.6	0	0	0	111.8
985	E	31.5	Very low	35.2	Very low	185 Å²	185	133.3 Å²	133.3	86%	0.864	77%	0.765	S	S	*	*			trans	-138.8	116.7	144.6	-72.8	-155.5	143.8	0	0	109.7	A987	E985-A987 PolarHBondContact O-N 2.9Å
986	N	34.9	Very low	37.7	Very low	169 Å²	169	130.3 Å²	130.3	90%	0.904	75%	0.753	S	S	*	*			trans	-97.9	76.4	178.1	-77.9	6	0	0	0	110.3
987	A	32.9	Very low	40.3	Very low	78 Å²	78	127 Å²	127	65%	0.645	73%	0.726	S	S	*	*	S	Bend	trans	-150.4	134.6	167.8	0	0	0	0	0	110.3	E985 V989	E985-A987 PolarHBondContact O-N 2.9Å; A987-V989 PolarHBondContact O-N 3.49Å
988	Y	40.9	Very low	43	Very low	214 Å²	214	123.7 Å²	123.7	84%	0.839	70%	0.703	S	S	*	*			trans	-75	90.6	172.1	179.5	-98.5	0	0	0	109.7
989	V	35.9	Very low	45.8	Very low	113 Å²	113	122.9 Å²	122.9	69%	0.685	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-91.9	133	160.4	-176.1	0	0	0	0	106.7	A987	A987-V989 PolarHBondContact O-N 3.49Å
990	A	33.8	Very low	48.8	Very low	68 Å²	68	117.7 Å²	117.7	56%	0.562	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-57.1	127.6	174	0	0	0	0	0	108.8	S992	A990-S992 PolarHBondContact O-N 2.99Å
991	P	49.3	Very low	51.9	Low	115 Å²	115	110 Å²	110	75%	0.747	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-58.7	127.3	-171.4	22.4	-33	0	0	0	110.1
992	S	53.9	Low	54.7	Low	104 Å²	104	105.6 Å²	105.6	73%	0.727	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-52.2	131.1	177	54.2	0	0	0	0	109.4	A990 G994	A990-S992 PolarHBondContact O-N 2.99Å; S992-G994 PolarHBondContact O-N 3.25Å; S992-G994 VanDerWaalsContact O-N 3.1Å
993	P	53.9	Low	57.4	Low	130 Å²	130	102.6 Å²	102.6	84%	0.844	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-53.8	121.7	-173.3	20	-32.2	0	0	0	110.4
994	G	65.4	Low	60.3	Low	65 Å²	65	96.4 Å²	96.4	67%	0.67	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-61	153.8	-174.1	0	0	0	0	0	112.2	S992	S992-G994 PolarHBondContact O-N 3.25Å; S992-G994 VanDerWaalsContact O-N 3.1Å
995	R	73.4	Confident	63	Low	136 Å²	136	90 Å²	90	51%	0.513	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-55	129.4	171.4	-67.6	-178.1	178.6	-172.9	-1	108.5	Y999 L1000 E1003	R995-Y999 HydrophobicContact CB-CD1 4.41Å; R995-Y999 HydrophobicContact CG-CD1 4.44Å; R995-L1000 HydrophobicContact CB-CD2 4Å; R995-L1000 HydrophobicContact CB-CG 4.13Å; R995-E1003 IonicContact CZ-OE1 3.76Å; R995-E1003 IonicContact CZ-OE2 3.99Å; R995-E1003 IonicContact NH1-OE1 3.78Å; R995-E1003 PolarHBondContact NH1-OE1 2.71Å; R995-E1003 IonicContact NH1-OE2 2.69Å; R995-E1003 PolarHBondContact NH1-OE2 2.87Å
996	P	74.3	Confident	65.7	Low	80 Å²	80	87 Å²	87	52%	0.519	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-63.7	146.7	179.9	26.8	-34	0	0	0	110.1	S998 Y999 L1000	P996-S998 PolarHBondContact O-N 2.94Å; P996-S998 VanDerWaalsContact O-N 3.11Å; P996-Y999 WeakPolarHBondContact O-CA 3.34Å; P996-Y999 WeakPolarHBondContact O-CB 3.39Å; P996-Y999 PolarHBondContact O-N 3.42Å; P996-L1000 PolarHBondContact O-N 2.83Å
997	N	76.6	Confident	68.2	Low	48 Å²	48	79.5 Å²	79.5	26%	0.257	46%	0.461	S	S	.	.	H	α-helix	trans	-52.3	-39.1	-175.6	-74.5	-25.4	0	0	0	112.9	Y999 L1000 W1001	N997-Y999 VanDerWaalsContact C-N 3.29Å; N997-Y999 PolarHBondContact O-N 2.81Å; N997-L1000 PolarHBondContact O-N 3.33Å; N997-W1001 HydrophobicContact CB-CD2 4.48Å; N997-W1001 HydrophobicContact CB-CZ2 4.07Å; N997-W1001 WeakPolarHBondContact O-CB 3.11Å; N997-W1001 PolarHBondContact O-N 3.16Å
998	S	77.8	Confident	71	Confident	45 Å²	45	75.9 Å²	75.9	32%	0.315	43%	0.431	S	S	.	.	H	α-helix	trans	-56	-39	174.6	45.9	0	0	0	0	113.6	P996 S1002 A1014	P996-S998 PolarHBondContact O-N 2.94Å; P996-S998 VanDerWaalsContact O-N 3.11Å; S998-S1002 WeakPolarHBondContact O-CB 3.49Å; S998-S1002 PolarHBondContact O-N 3.36Å; S998-S1002 VanDerWaalsContact O-N 3.13Å; S998-S1002 PolarHBondContact O-OG 3.46Å; S998-A1014 VanDerWaalsContact CB-O 3.25Å; S998-A1014 WeakPolarHBondContact CB-O 3.08Å; S998-A1014 WeakPolarHBondContact O-CB 3.3Å
999	Y	82.3	Confident	73.3	Confident	119 Å²	119	65.8 Å²	65.8	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-50.8	175.5	-171.8	-82.6	0	0	0	110.5	R995 P996 N997 W1001 S1002 E1003	R995-Y999 HydrophobicContact CB-CD1 4.41Å; R995-Y999 HydrophobicContact CG-CD1 4.44Å; P996-Y999 WeakPolarHBondContact O-CA 3.34Å; P996-Y999 WeakPolarHBondContact O-CB 3.39Å; P996-Y999 PolarHBondContact O-N 3.42Å; N997-Y999 VanDerWaalsContact C-N 3.29Å; N997-Y999 PolarHBondContact O-N 2.81Å; Y999-W1001 VanDerWaalsContact C-N 3.33Å; Y999-W1001 PolarHBondContact O-N 3.39Å; Y999-S1002 PolarHBondContact O-N 2.81Å; Y999-S1002 PolarHBondContact O-OG 2.76Å; Y999-E1003 WeakPolarHBondContact CE1-OE2 3.31Å; Y999-E1003 WeakPolarHBondContact O-CB 3.27Å; Y999-E1003 PolarHBondContact O-N 2.91Å
1000	L	83.7	Confident	76	Confident	11 Å²	11	60.4 Å²	60.4	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-44.1	178.3	-63.8	175.9	0	0	0	111.7	R995 P996 N997 S1002 E1003 N1004	R995-L1000 HydrophobicContact CB-CD2 4Å; R995-L1000 HydrophobicContact CB-CG 4.13Å; P996-L1000 PolarHBondContact O-N 2.83Å; N997-L1000 PolarHBondContact O-N 3.33Å; L1000-S1002 VanDerWaalsContact C-N 3.29Å; L1000-S1002 PolarHBondContact O-N 2.94Å; L1000-E1003 PolarHBondContact O-N 3.08Å; L1000-E1003 VanDerWaalsContact O-N 3.16Å; L1000-N1004 VanDerWaalsContact O-CB 3.26Å; L1000-N1004 WeakPolarHBondContact O-CB 3.14Å; L1000-N1004 PolarHBondContact O-N 3.32Å; L1000-N1004 PolarHBondContact O-ND2 3.33Å; L1000-N1004 VanDerWaalsContact O-ND2 3.13Å
1001	W	86.9	Confident	78.7	Confident	1 Å²	1	57.3 Å²	57.3	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-59.3	-39.8	175.8	-61.8	-11.8	0	0	0	112.4	N997 Y999 E1003 S1005 A1014 Y1063 P1078	N997-W1001 HydrophobicContact CB-CD2 4.48Å; N997-W1001 HydrophobicContact CB-CZ2 4.07Å; N997-W1001 WeakPolarHBondContact O-CB 3.11Å; N997-W1001 PolarHBondContact O-N 3.16Å; Y999-W1001 VanDerWaalsContact C-N 3.33Å; Y999-W1001 PolarHBondContact O-N 3.39Å; W1001-E1003 VanDerWaalsContact C-N 3.34Å; W1001-S1005 PolarHBondContact O-N 2.83Å; W1001-A1014 HydrophobicContact CB-CB 4.16Å; W1001-A1014 HydrophobicContact CE3-CB 4.22Å; W1001-Y1063 AromaticContact CH2-CD1 3.66Å; W1001-Y1063 HydrophobicContact CH2-CD1 3.66Å; W1001-Y1063 HydrophobicContact CH2-CG 4.11Å; W1001-Y1063 HydrophobicContact CZ2-CD1 4.42Å; W1001-Y1063 HydrophobicContact CZ2-CG 4.44Å; W1001-Y1063 HydrophobicContact CZ3-CD1 4.27Å; W1001-P1078 HydrophobicContact CD2-CB 3.89Å; W1001-P1078 HydrophobicContact CD2-CG 4.07Å; W1001-P1078 HydrophobicContact CE3-CB 3.93Å; W1001-P1078 HydrophobicContact CE3-CG 4.22Å; W1001-P1078 HydrophobicContact CG-CG 4.3Å; W1001-P1078 HydrophobicContact CH2-CB 3.85Å; W1001-P1078 HydrophobicContact CZ2-CB 3.83Å; W1001-P1078 HydrophobicContact CZ3-CB 3.93Å
1002	S	82.9	Confident	80.7	Confident	32 Å²	32	51.8 Å²	51.8	22%	0.224	30%	0.298	C	S	.	.	H	α-helix	trans	-76.2	-19.2	178.2	74.2	0	0	0	0	114.5	S998 Y999 L1000 Q1011	S998-S1002 WeakPolarHBondContact O-CB 3.49Å; S998-S1002 PolarHBondContact O-N 3.36Å; S998-S1002 VanDerWaalsContact O-N 3.13Å; S998-S1002 PolarHBondContact O-OG 3.46Å; Y999-S1002 PolarHBondContact O-N 2.81Å; Y999-S1002 PolarHBondContact O-OG 2.76Å; L1000-S1002 VanDerWaalsContact C-N 3.29Å; L1000-S1002 PolarHBondContact O-N 2.94Å; S1002-Q1011 PolarHBondContact O-NE2 2.79Å
1003	E	83.4	Confident	82.5	Confident	100 Å²	100	47 Å²	47	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-87.7	-35	175.4	-171.3	173.5	-158.3	0	0	111.2	R995 Y999 L1000 W1001	R995-E1003 IonicContact CZ-OE1 3.76Å; R995-E1003 IonicContact CZ-OE2 3.99Å; R995-E1003 IonicContact NH1-OE1 3.78Å; R995-E1003 PolarHBondContact NH1-OE1 2.71Å; R995-E1003 IonicContact NH1-OE2 2.69Å; R995-E1003 PolarHBondContact NH1-OE2 2.87Å; Y999-E1003 WeakPolarHBondContact CE1-OE2 3.31Å; Y999-E1003 WeakPolarHBondContact O-CB 3.27Å; Y999-E1003 PolarHBondContact O-N 2.91Å; L1000-E1003 PolarHBondContact O-N 3.08Å; L1000-E1003 VanDerWaalsContact O-N 3.16Å; W1001-E1003 VanDerWaalsContact C-N 3.34Å
1004	N	85.3	Confident	84.2	Confident	67 Å²	67	41.5 Å²	41.5	36%	0.358	23%	0.229	S	C	.	.	H	α-helix	trans	-87.4	-18.3	-175.2	-68.9	-28.5	0	0	0	115.2	L1000 T1074 S1075 A1076 L1077	L1000-N1004 VanDerWaalsContact O-CB 3.26Å; L1000-N1004 WeakPolarHBondContact O-CB 3.14Å; L1000-N1004 PolarHBondContact O-N 3.32Å; L1000-N1004 PolarHBondContact O-ND2 3.33Å; L1000-N1004 VanDerWaalsContact O-ND2 3.13Å; N1004-T1074 PolarHBondContact ND2-O 2.73Å; N1004-T1074 PolarHBondContact OD1-O 3.01Å; N1004-S1075 VanDerWaalsContact ND2-C 3.34Å; N1004-S1075 WeakPolarHBondContact ND2-CA 3.23Å; N1004-A1076 PolarHBondContact ND2-N 3.13Å; N1004-A1076 PolarHBondContact ND2-O 3.32Å; N1004-L1077 HydrophobicContact CB-CD2 3.72Å
1005	S	85.3	Confident	85.3	Confident	11 Å²	11	39.9 Å²	39.9	8%	0.077	21%	0.212	C	C	.	.			trans	-143.3	133.6	-172.7	-177.5	0	0	0	0	114.3	W1001 L1007 D1010 Q1011	W1001-S1005 PolarHBondContact O-N 2.83Å; S1005-L1007 PolarHBondContact OG-N 2.9Å; S1005-D1010 WeakPolarHBondContact CB-OD2 3.27Å; S1005-D1010 PolarHBondContact OG-OD2 2.55Å; S1005-Q1011 PolarHBondContact O-NE2 3.38Å
1006	N	86.2	Confident	86.1	Confident	122 Å²	122	35.7 Å²	35.7	65%	0.652	20%	0.2	S	C	*	.			trans	-98.7	15.8	172.9	-68.4	-49	0	0	0	113	L1023	N1006-L1023 WeakPolarHBondContact O-CD1 3.38Å
1007	L	89.4	Confident	86.9	Confident	10 Å²	10	36.5 Å²	36.5	5%	0.052	19%	0.193	C	C	.	.			trans	-77.3	135.5	172	-62.8	-178.5	0	0	0	110.5	S1005 A1009 D1010 Q1011 V1121 V1300	S1005-L1007 PolarHBondContact OG-N 2.9Å; L1007-A1009 VanDerWaalsContact C-N 3.27Å; L1007-A1009 PolarHBondContact O-N 2.84Å; L1007-D1010 PolarHBondContact O-N 2.93Å; L1007-Q1011 PolarHBondContact O-N 3.46Å; L1007-V1121 HydrophobicContact CD1-CB 4.43Å; L1007-V1121 HydrophobicContact CD1-CG1 3.83Å; L1007-V1121 HydrophobicContact CD1-CG2 3.99Å; L1007-V1300 HydrophobicContact CD2-CG1 4.13Å
1008	P	90.7	Very high	87.6	Confident	2 Å²	2	41 Å²	41	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-55.4	-40.4	178.2	-26.5	33.9	0	0	0	113.4	D1010 Q1011 I1012 L1023 L1024 Q1027 L1119	P1008-D1010 PolarHBondContact O-N 2.79Å; P1008-Q1011 PolarHBondContact O-N 2.77Å; P1008-I1012 WeakPolarHBondContact O-CD1 3.4Å; P1008-I1012 VanDerWaalsContact O-CG1 3.25Å; P1008-I1012 WeakPolarHBondContact O-CG1 3.4Å; P1008-I1012 PolarHBondContact O-N 2.9Å; P1008-L1023 HydrophobicContact CG-CB 4.07Å; P1008-L1024 HydrophobicContact CB-CD1 4.35Å; P1008-L1024 HydrophobicContact CB-CD2 3.96Å; P1008-L1024 HydrophobicContact CB-CG 3.9Å; P1008-L1024 HydrophobicContact CG-CD2 3.9Å; P1008-L1024 HydrophobicContact CG-CG 4.07Å; P1008-Q1027 VanDerWaalsContact CG-OE1 3.27Å; P1008-L1119 HydrophobicContact CB-CD2 3.89Å
1009	A	90.2	Very high	88.2	Confident	2 Å²	2	41 Å²	41	2%	0.017	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-44.8	179.2	0	0	0	0	0	112.7	L1007 I1012 M1013 L1119 V1121	L1007-A1009 VanDerWaalsContact C-N 3.27Å; L1007-A1009 PolarHBondContact O-N 2.84Å; A1009-I1012 PolarHBondContact O-N 3.13Å; A1009-M1013 HydrophobicContact CB-CE 4.15Å; A1009-M1013 WeakPolarHBondContact O-CB 3.26Å; A1009-M1013 WeakPolarHBondContact O-CE 3.38Å; A1009-M1013 WeakPolarHBondContact O-CG 3.49Å; A1009-M1013 PolarHBondContact O-N 2.81Å; A1009-L1119 WeakPolarHBondContact CB-O 3.48Å; A1009-V1121 HydrophobicContact CB-CG2 3.99Å
1010	D	91.5	Very high	88.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-39.5	-179.6	-65.1	-24.6	0	0	0	111.5	S1005 L1007 P1008 M1013 A1014 R1066 P1078	S1005-D1010 WeakPolarHBondContact CB-OD2 3.27Å; S1005-D1010 PolarHBondContact OG-OD2 2.55Å; L1007-D1010 PolarHBondContact O-N 2.93Å; P1008-D1010 PolarHBondContact O-N 2.79Å; D1010-M1013 PolarHBondContact O-N 3.36Å; D1010-A1014 WeakPolarHBondContact O-CB 3.28Å; D1010-A1014 PolarHBondContact O-N 2.9Å; D1010-R1066 IonicContact OD1-CZ 3.81Å; D1010-R1066 IonicContact OD1-NH1 2.69Å; D1010-R1066 PolarHBondContact OD1-NH1 3.43Å; D1010-R1066 IonicContact OD1-NH2 3.67Å; D1010-R1066 IonicContact OD2-CZ 3.69Å; D1010-R1066 IonicContact OD2-NH1 2.94Å; D1010-R1066 PolarHBondContact OD2-NH1 2.8Å; D1010-R1066 IonicContact OD2-NH2 2.78Å; D1010-R1066 PolarHBondContact OD2-NH2 3.44Å; D1010-P1078 HydrophobicContact CB-CG 4.14Å; D1010-P1078 VanDerWaalsContact OD1-CG 3.26Å; D1010-P1078 WeakPolarHBondContact OD1-CG 3.31Å
1011	Q	91.1	Very high	89.1	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-66.6	-36.5	175.2	-63.8	-77.5	-24.2	0	0	111.8	S1002 S1005 L1007 P1008 G1015 N1016 A1020 L1023	S1002-Q1011 PolarHBondContact O-NE2 2.79Å; S1005-Q1011 PolarHBondContact O-NE2 3.38Å; L1007-Q1011 PolarHBondContact O-N 3.46Å; P1008-Q1011 PolarHBondContact O-N 2.77Å; Q1011-G1015 PolarHBondContact O-N 2.91Å; Q1011-N1016 WeakPolarHBondContact O-CA 3.07Å; Q1011-N1016 PolarHBondContact O-N 3.22Å; Q1011-N1016 PolarHBondContact OE1-ND2 3.45Å; Q1011-N1016 VanDerWaalsContact OE1-ND2 3.09Å; Q1011-A1020 HydrophobicContact CB-CB 4.01Å; Q1011-L1023 HydrophobicContact CG-CD1 3.91Å
1012	I	91.3	Very high	89.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-49.3	172.5	-67.2	158.5	0	0	0	110.7	P1008 A1009 A1014 G1015 A1020 F1040 L1043 F1044 L1119	P1008-I1012 WeakPolarHBondContact O-CD1 3.4Å; P1008-I1012 VanDerWaalsContact O-CG1 3.25Å; P1008-I1012 WeakPolarHBondContact O-CG1 3.4Å; P1008-I1012 PolarHBondContact O-N 2.9Å; A1009-I1012 PolarHBondContact O-N 3.13Å; I1012-A1014 PolarHBondContact O-N 3.43Å; I1012-G1015 PolarHBondContact O-N 3.36Å; I1012-A1020 HydrophobicContact CD1-CB 4.28Å; I1012-A1020 HydrophobicContact CG1-CB 3.54Å; I1012-F1040 HydrophobicContact CD1-CD1 3.59Å; I1012-F1040 HydrophobicContact CD1-CD2 4.41Å; I1012-F1040 HydrophobicContact CD1-CE1 3.38Å; I1012-F1040 HydrophobicContact CD1-CE2 4.24Å; I1012-F1040 HydrophobicContact CD1-CG 4.12Å; I1012-F1040 HydrophobicContact CD1-CZ 3.74Å; I1012-F1040 HydrophobicContact CG1-CD1 4.16Å; I1012-F1040 HydrophobicContact CG1-CD2 4.13Å; I1012-F1040 HydrophobicContact CG1-CE1 4.1Å; I1012-F1040 HydrophobicContact CG1-CE2 4.07Å; I1012-F1040 HydrophobicContact CG1-CG 4.18Å; I1012-F1040 HydrophobicContact CG1-CZ 4.06Å; I1012-F1040 HydrophobicContact CG2-CB 4.2Å; I1012-F1040 HydrophobicContact CG2-CG 4.21Å; I1012-L1043 HydrophobicContact CD1-CD1 4.15Å; I1012-L1043 HydrophobicContact CG2-CB 3.7Å; I1012-L1043 HydrophobicContact CG2-CD1 4.18Å; I1012-F1044 WeakPolarHBondContact O-CD2 3.23Å; I1012-L1119 HydrophobicContact CD1-CD1 4.1Å; I1012-L1119 HydrophobicContact CD1-CD2 3.59Å; I1012-L1119 HydrophobicContact CD1-CG 4.47Å
1013	M	90.3	Very high	89.8	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-30.2	-179.3	-74.5	-171.8	-79.4	0	0	112.7	A1009 D1010 L1043 S1047 P1078 A1079 V1081	A1009-M1013 HydrophobicContact CB-CE 4.15Å; A1009-M1013 WeakPolarHBondContact O-CB 3.26Å; A1009-M1013 WeakPolarHBondContact O-CE 3.38Å; A1009-M1013 WeakPolarHBondContact O-CG 3.49Å; A1009-M1013 PolarHBondContact O-N 2.81Å; D1010-M1013 PolarHBondContact O-N 3.36Å; M1013-L1043 HydrophobicContact CG-CB 4.44Å; M1013-S1047 PolarHBondContact O-OG 2.95Å; M1013-P1078 HydrophobicContact CB-CB 4.22Å; M1013-P1078 HydrophobicContact CB-CG 4.22Å; M1013-P1078 HydrophobicContact CE-CB 4.05Å; M1013-P1078 HydrophobicContact CE-CG 3.66Å; M1013-P1078 HydrophobicContact SD-CB 3.98Å; M1013-P1078 HydrophobicContact SD-CG 4.22Å; M1013-A1079 VanDerWaalsContact SD-O 3.37Å; M1013-V1081 HydrophobicContact SD-CG2 4.08Å
1014	A	89.6	Confident	90.3	Very high	14 Å²	14	39.6 Å²	39.6	12%	0.116	20%	0.2	C	C	.	.	H	α-helix	trans	-74.5	-17.4	170.2	0	0	0	0	0	114.8	S998 W1001 D1010 I1012	S998-A1014 VanDerWaalsContact CB-O 3.25Å; S998-A1014 WeakPolarHBondContact CB-O 3.08Å; S998-A1014 WeakPolarHBondContact O-CB 3.3Å; W1001-A1014 HydrophobicContact CB-CB 4.16Å; W1001-A1014 HydrophobicContact CE3-CB 4.22Å; D1010-A1014 WeakPolarHBondContact O-CB 3.28Å; D1010-A1014 PolarHBondContact O-N 2.9Å; I1012-A1014 PolarHBondContact O-N 3.43Å
1015	G	89	Confident	90.6	Very high	31 Å²	31	38.5 Å²	38.5	32%	0.32	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	5	-174.1	0	0	0	0	0	115.2	Q1011 I1012 W1017 F1044	Q1011-G1015 PolarHBondContact O-N 2.91Å; I1012-G1015 PolarHBondContact O-N 3.36Å; G1015-W1017 PolarHBondContact O-N 3.05Å; G1015-F1044 VanDerWaalsContact CA-CE2 3.41Å
1016	N	91.3	Very high	91	Very high	48 Å²	48	39.7 Å²	39.7	26%	0.257	21%	0.208	S	C	.	.			trans	-85.6	60.1	-180	-164.8	-9.8	0	0	0	111.5	Q1011 M1018 N1019 A1020	Q1011-N1016 WeakPolarHBondContact O-CA 3.07Å; Q1011-N1016 PolarHBondContact O-N 3.22Å; Q1011-N1016 PolarHBondContact OE1-ND2 3.45Å; Q1011-N1016 VanDerWaalsContact OE1-ND2 3.09Å; N1016-M1018 VanDerWaalsContact C-N 3.26Å; N1016-M1018 PolarHBondContact O-N 3.38Å; N1016-N1019 PolarHBondContact ND2-ND2 2.76Å; N1016-N1019 PolarHBondContact O-N 3.41Å; N1016-N1019 VanDerWaalsContact O-N 3.12Å; N1016-N1019 WeakPolarHBondContact OD1-CB 3.47Å; N1016-N1019 PolarHBondContact OD1-N 2.67Å; N1016-A1020 PolarHBondContact O-N 2.79Å; N1016-A1020 VanDerWaalsContact O-N 3.1Å
1017	W	90.7	Very high	91.2	Very high	97 Å²	97	34.2 Å²	34.2	37%	0.367	18%	0.179	S	C	.	.	H	α-helix	trans	-60.4	-34.6	-171.4	-57.5	-7.9	0	0	0	112.6	G1015 N1019 A1020 M1021 M1041 F1044	G1015-W1017 PolarHBondContact O-N 3.05Å; W1017-N1019 VanDerWaalsContact C-N 3.34Å; W1017-N1019 PolarHBondContact O-N 3.36Å; W1017-A1020 PolarHBondContact O-N 3.2Å; W1017-M1021 WeakPolarHBondContact O-CB 3.27Å; W1017-M1021 VanDerWaalsContact O-CG 3.27Å; W1017-M1021 WeakPolarHBondContact O-CG 3.47Å; W1017-M1021 PolarHBondContact O-N 2.88Å; W1017-M1041 HydrophobicContact CH2-SD 3.7Å; W1017-M1041 HydrophobicContact CZ2-SD 4.07Å; W1017-F1044 HydrophobicContact CZ2-CD1 4.24Å; W1017-F1044 HydrophobicContact CZ2-CG 4.31Å; W1017-F1044 AromaticContact NE1-CD2 3.98Å
1018	M	91.2	Very high	91.3	Very high	142 Å²	142	33.8 Å²	33.8	70%	0.7	18%	0.177	S	C	*	.	H	α-helix	trans	-62.3	-39	177.6	-162.5	80.2	-179.5	0	0	112.3	N1016 R1022	N1016-M1018 VanDerWaalsContact C-N 3.26Å; N1016-M1018 PolarHBondContact O-N 3.38Å; M1018-R1022 PolarHBondContact O-N 2.97Å
1019	N	91	Very high	91.3	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.251	18%	0.176	S	C	.	.	H	α-helix	trans	-73.5	-41.1	174.7	-79.3	0.7	0	0	0	111.6	N1016 W1017 M1021 R1022 L1023	N1016-N1019 PolarHBondContact ND2-ND2 2.76Å; N1016-N1019 PolarHBondContact O-N 3.41Å; N1016-N1019 VanDerWaalsContact O-N 3.12Å; N1016-N1019 WeakPolarHBondContact OD1-CB 3.47Å; N1016-N1019 PolarHBondContact OD1-N 2.67Å; W1017-N1019 VanDerWaalsContact C-N 3.34Å; W1017-N1019 PolarHBondContact O-N 3.36Å; N1019-M1021 VanDerWaalsContact C-N 3.34Å; N1019-M1021 PolarHBondContact O-N 3.36Å; N1019-R1022 PolarHBondContact O-N 3.22Å; N1019-R1022 PolarHBondContact OD1-NH1 2.73Å; N1019-R1022 PolarHBondContact OD1-NH2 3.24Å; N1019-L1023 VanDerWaalsContact O-CG 3.31Å; N1019-L1023 WeakPolarHBondContact O-CG 3.45Å; N1019-L1023 PolarHBondContact O-N 2.78Å
1020	A	91	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-42.5	176	0	0	0	0	0	112.7	Q1011 I1012 N1016 W1017 L1023 L1024	Q1011-A1020 HydrophobicContact CB-CB 4.01Å; I1012-A1020 HydrophobicContact CD1-CB 4.28Å; I1012-A1020 HydrophobicContact CG1-CB 3.54Å; N1016-A1020 PolarHBondContact O-N 2.79Å; N1016-A1020 VanDerWaalsContact O-N 3.1Å; W1017-A1020 PolarHBondContact O-N 3.2Å; A1020-L1023 PolarHBondContact O-N 3Å; A1020-L1024 WeakPolarHBondContact O-CG 3.4Å; A1020-L1024 PolarHBondContact O-N 3.11Å
1021	M	93.1	Very high	91.4	Very high	62 Å²	62	37.1 Å²	37.1	31%	0.305	20%	0.196	S	C	.	.	H	α-helix	trans	-61	-46.6	174.3	-70.8	174	176.1	0	0	111.4	W1017 N1019 L1023 L1024 S1025 F1033 F1040	W1017-M1021 WeakPolarHBondContact O-CB 3.27Å; W1017-M1021 VanDerWaalsContact O-CG 3.27Å; W1017-M1021 WeakPolarHBondContact O-CG 3.47Å; W1017-M1021 PolarHBondContact O-N 2.88Å; N1019-M1021 VanDerWaalsContact C-N 3.34Å; N1019-M1021 PolarHBondContact O-N 3.36Å; M1021-L1023 VanDerWaalsContact C-N 3.3Å; M1021-L1023 PolarHBondContact O-N 3Å; M1021-L1024 PolarHBondContact O-N 3.1Å; M1021-S1025 PolarHBondContact O-N 3.47Å; M1021-S1025 PolarHBondContact O-OG 2.83Å; M1021-F1033 HydrophobicContact CB-CD1 4.35Å; M1021-F1033 HydrophobicContact CB-CE1 3.9Å; M1021-F1033 HydrophobicContact CB-CE2 4.1Å; M1021-F1033 HydrophobicContact CB-CZ 3.77Å; M1021-F1033 HydrophobicContact CE-CB 4.14Å; M1021-F1033 HydrophobicContact CE-CG 4.33Å; M1021-F1033 HydrophobicContact CG-CD1 3.75Å; M1021-F1033 HydrophobicContact CG-CD2 4.31Å; M1021-F1033 HydrophobicContact CG-CE1 3.78Å; M1021-F1033 HydrophobicContact CG-CE2 4.34Å; M1021-F1033 HydrophobicContact CG-CG 4.02Å; M1021-F1033 HydrophobicContact CG-CZ 4.09Å; M1021-F1033 VanDerWaalsContact O-CZ 3.3Å; M1021-F1033 WeakPolarHBondContact O-CZ 3.28Å; M1021-F1033 HydrophobicContact SD-CG 4.38Å; M1021-F1040 HydrophobicContact CE-CD2 4.45Å; M1021-F1040 HydrophobicContact CE-CE2 4Å; M1021-F1040 HydrophobicContact CG-CE2 4.08Å; M1021-F1040 HydrophobicContact CG-CZ 4.5Å
1022	R	93.4	Very high	91.5	Very high	138 Å²	138	39.3 Å²	39.3	52%	0.521	21%	0.208	S	C	.	.	H	α-helix	trans	-63.6	-34	177.7	-159	-170.2	-48.5	102.6	8.5	113.1	M1018 N1019 S1025 A1026	M1018-R1022 PolarHBondContact O-N 2.97Å; N1019-R1022 PolarHBondContact O-N 3.22Å; N1019-R1022 PolarHBondContact OD1-NH1 2.73Å; N1019-R1022 PolarHBondContact OD1-NH2 3.24Å; R1022-S1025 WeakPolarHBondContact CA-OG 3.27Å; R1022-S1025 PolarHBondContact O-OG 2.82Å; R1022-A1026 WeakPolarHBondContact O-CB 3.2Å; R1022-A1026 PolarHBondContact O-N 2.92Å; R1022-A1026 VanDerWaalsContact O-N 3.15Å
1023	L	92	Very high	91.6	Very high	33 Å²	33	41.4 Å²	41.4	17%	0.173	22%	0.217	C	C	.	.	H	α-helix	trans	-69.1	-46.7	174.8	-72	163.3	0	0	0	110.9	N1006 P1008 Q1011 N1019 A1020 M1021 S1025 A1026 Q1027	N1006-L1023 WeakPolarHBondContact O-CD1 3.38Å; P1008-L1023 HydrophobicContact CG-CB 4.07Å; Q1011-L1023 HydrophobicContact CG-CD1 3.91Å; N1019-L1023 VanDerWaalsContact O-CG 3.31Å; N1019-L1023 WeakPolarHBondContact O-CG 3.45Å; N1019-L1023 PolarHBondContact O-N 2.78Å; A1020-L1023 PolarHBondContact O-N 3Å; M1021-L1023 VanDerWaalsContact C-N 3.3Å; M1021-L1023 PolarHBondContact O-N 3Å; L1023-S1025 PolarHBondContact O-N 2.75Å; L1023-A1026 PolarHBondContact O-N 2.73Å; L1023-Q1027 VanDerWaalsContact O-CB 3.24Å; L1023-Q1027 WeakPolarHBondContact O-CB 3.49Å; L1023-Q1027 WeakPolarHBondContact O-CG 3.44Å; L1023-Q1027 PolarHBondContact O-N 3.36Å
1024	L	93	Very high	91.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-37	177.7	-71	165.8	0	0	0	112.8	P1008 A1020 M1021 V1028 G1029 V1030 F1033 F1040 P1118 L1119	P1008-L1024 HydrophobicContact CB-CD1 4.35Å; P1008-L1024 HydrophobicContact CB-CD2 3.96Å; P1008-L1024 HydrophobicContact CB-CG 3.9Å; P1008-L1024 HydrophobicContact CG-CD2 3.9Å; P1008-L1024 HydrophobicContact CG-CG 4.07Å; A1020-L1024 WeakPolarHBondContact O-CG 3.4Å; A1020-L1024 PolarHBondContact O-N 3.11Å; M1021-L1024 PolarHBondContact O-N 3.1Å; L1024-V1028 HydrophobicContact CD2-CG2 4.05Å; L1024-V1028 CarbonylContact O-C 3.51Å; L1024-V1028 VanDerWaalsContact O-CG2 3.28Å; L1024-V1028 WeakPolarHBondContact O-CG2 3.36Å; L1024-V1028 PolarHBondContact O-N 3.46Å; L1024-G1029 PolarHBondContact O-N 3.2Å; L1024-V1030 HydrophobicContact CB-CB 4.3Å; L1024-V1030 HydrophobicContact CB-CG2 4.26Å; L1024-V1030 PolarHBondContact O-N 3.01Å; L1024-F1033 HydrophobicContact CB-CE1 3.99Å; L1024-F1033 HydrophobicContact CB-CZ 4.32Å; L1024-F1033 HydrophobicContact CD1-CE1 4.07Å; L1024-F1040 HydrophobicContact CD1-CE1 4Å; L1024-F1040 HydrophobicContact CD1-CZ 3.73Å; L1024-P1118 HydrophobicContact CD2-CB 3.77Å; L1024-L1119 HydrophobicContact CD1-CD2 4.21Å; L1024-L1119 HydrophobicContact CD2-CD2 4.17Å
1025	S	92.5	Very high	91.7	Very high	44 Å²	44	49.8 Å²	49.8	31%	0.308	26%	0.258	S	S	.	.	H	α-helix	trans	-65.4	-40.2	173.7	66.6	0	0	0	0	111.7	M1021 R1022 L1023 G1029 V1030	M1021-S1025 PolarHBondContact O-N 3.47Å; M1021-S1025 PolarHBondContact O-OG 2.83Å; R1022-S1025 WeakPolarHBondContact CA-OG 3.27Å; R1022-S1025 PolarHBondContact O-OG 2.82Å; L1023-S1025 PolarHBondContact O-N 2.75Å; S1025-G1029 VanDerWaalsContact O-CA 3.28Å; S1025-G1029 WeakPolarHBondContact O-CA 3.36Å; S1025-G1029 PolarHBondContact O-N 3.46Å; S1025-G1029 VanDerWaalsContact O-N 3.11Å; S1025-V1030 WeakPolarHBondContact CA-O 3.34Å; S1025-V1030 VanDerWaalsContact CB-O 3.25Å; S1025-V1030 WeakPolarHBondContact CB-O 3.45Å
1026	A	92.1	Very high	91.8	Very high	35 Å²	35	48.3 Å²	48.3	29%	0.289	24%	0.243	S	C	.	.	H	α-helix	trans	-76.3	-34.7	179.3	0	0	0	0	0	114.2	R1022 L1023 H1296 Q1297	R1022-A1026 WeakPolarHBondContact O-CB 3.2Å; R1022-A1026 PolarHBondContact O-N 2.92Å; R1022-A1026 VanDerWaalsContact O-N 3.15Å; L1023-A1026 PolarHBondContact O-N 2.73Å; A1026-H1296 WeakPolarHBondContact O-CA 3.28Å; A1026-Q1297 WeakPolarHBondContact O-CG 3.28Å; A1026-Q1297 PolarHBondContact O-N 2.83Å
1027	Q	91.3	Very high	91.8	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-83.2	-45.3	-176.5	-70.5	168.4	0.2	0	0	112.2	P1008 L1023 H1296 G1298 V1300	P1008-Q1027 VanDerWaalsContact CG-OE1 3.27Å; L1023-Q1027 VanDerWaalsContact O-CB 3.24Å; L1023-Q1027 WeakPolarHBondContact O-CB 3.49Å; L1023-Q1027 WeakPolarHBondContact O-CG 3.44Å; L1023-Q1027 PolarHBondContact O-N 3.36Å; Q1027-H1296 WeakPolarHBondContact O-CB 3.33Å; Q1027-H1296 PolarHBondContact O-ND1 3.34Å; Q1027-G1298 CarbonylContact C-O 3.58Å; Q1027-G1298 WeakPolarHBondContact CB-O 3.16Å; Q1027-G1298 CarbonylContact O-C 3.5Å; Q1027-G1298 VanDerWaalsContact O-C 3.3Å; Q1027-G1298 WeakPolarHBondContact O-CA 3.5Å; Q1027-G1298 PolarHBondContact O-N 3.18Å; Q1027-G1298 VanDerWaalsContact O-O 3.09Å; Q1027-V1300 HydrophobicContact CG-CB 4.36Å; Q1027-V1300 HydrophobicContact CG-CG2 3.97Å
1028	V	90.8	Very high	91.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-135.7	20.3	-169.4	-69.4	0	0	0	0	113.2	L1024 V1030 P1118 P1269 L1270 T1290 L1299	L1024-V1028 HydrophobicContact CD2-CG2 4.05Å; L1024-V1028 CarbonylContact O-C 3.51Å; L1024-V1028 VanDerWaalsContact O-CG2 3.28Å; L1024-V1028 WeakPolarHBondContact O-CG2 3.36Å; L1024-V1028 PolarHBondContact O-N 3.46Å; V1028-V1030 VanDerWaalsContact C-N 3.32Å; V1028-V1030 HydrophobicContact CG2-CG2 4.08Å; V1028-V1030 PolarHBondContact O-N 3.28Å; V1028-P1118 HydrophobicContact CG2-CB 4.39Å; V1028-P1118 HydrophobicContact CG2-CG 4.4Å; V1028-P1269 WeakPolarHBondContact O-CB 3.35Å; V1028-L1270 HydrophobicContact CB-CB 4.31Å; V1028-L1270 HydrophobicContact CB-CD1 4.39Å; V1028-L1270 HydrophobicContact CG1-CD1 4.28Å; V1028-T1290 WeakPolarHBondContact O-CG2 3.43Å; V1028-L1299 HydrophobicContact CG1-CD1 4.21Å
1029	G	90.4	Very high	91.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.			trans	67	23.9	165.5	0	0	0	0	0	115.9	L1024 S1025 V1031 T1290 E1291	L1024-G1029 PolarHBondContact O-N 3.2Å; S1025-G1029 VanDerWaalsContact O-CA 3.28Å; S1025-G1029 WeakPolarHBondContact O-CA 3.36Å; S1025-G1029 PolarHBondContact O-N 3.46Å; S1025-G1029 VanDerWaalsContact O-N 3.11Å; G1029-V1031 PolarHBondContact O-N 2.62Å; G1029-T1290 VanDerWaalsContact O-CA 3.29Å; G1029-T1290 WeakPolarHBondContact O-CA 3.46Å; G1029-E1291 PolarHBondContact O-N 3.3Å
1030	V	92.6	Very high	91.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-70.6	125.5	179.5	179.4	0	0	0	0	111.1	L1024 S1025 V1028 F1033 Y1036 V1289 T1290	L1024-V1030 HydrophobicContact CB-CB 4.3Å; L1024-V1030 HydrophobicContact CB-CG2 4.26Å; L1024-V1030 PolarHBondContact O-N 3.01Å; S1025-V1030 WeakPolarHBondContact CA-O 3.34Å; S1025-V1030 VanDerWaalsContact CB-O 3.25Å; S1025-V1030 WeakPolarHBondContact CB-O 3.45Å; V1028-V1030 VanDerWaalsContact C-N 3.32Å; V1028-V1030 HydrophobicContact CG2-CG2 4.08Å; V1028-V1030 PolarHBondContact O-N 3.28Å; V1030-F1033 HydrophobicContact CB-CE1 3.94Å; V1030-F1033 HydrophobicContact CB-CE2 4.44Å; V1030-F1033 HydrophobicContact CB-CZ 3.77Å; V1030-F1033 HydrophobicContact CG1-CD1 3.69Å; V1030-F1033 HydrophobicContact CG1-CD2 4.16Å; V1030-F1033 HydrophobicContact CG1-CE1 3.35Å; V1030-F1033 HydrophobicContact CG1-CE2 3.85Å; V1030-F1033 HydrophobicContact CG1-CG 4.09Å; V1030-F1033 HydrophobicContact CG1-CZ 3.43Å; V1030-F1033 VanDerWaalsContact CG1-CZ 3.43Å; V1030-Y1036 HydrophobicContact CG1-CD2 4.09Å; V1030-Y1036 HydrophobicContact CG1-CE2 3.99Å; V1030-Y1036 HydrophobicContact CG2-CE2 3.9Å; V1030-V1289 HydrophobicContact CG1-CB 4.15Å; V1030-V1289 HydrophobicContact CG1-CG2 4.43Å; V1030-V1289 HydrophobicContact CG2-CG2 4.17Å; V1030-T1290 HydrophobicContact CG2-CG2 3.93Å
1031	V	91.8	Very high	91.7	Very high	72 Å²	72	49 Å²	49	44%	0.436	25%	0.25	S	C	.	.			trans	-118.2	-32	177.4	-65.1	0	0	0	0	112.7	G1029 L1283 V1289 E1291	G1029-V1031 PolarHBondContact O-N 2.62Å; V1031-L1283 HydrophobicContact CG2-CD1 4Å; V1031-V1289 PolarHBondContact N-O 3.1Å; V1031-E1291 HydrophobicContact CG1-CB 3.95Å; V1031-E1291 HydrophobicContact CG2-CB 4.08Å
1032	N	93.1	Very high	91.5	Very high	50 Å²	50	50.6 Å²	50.6	27%	0.267	26%	0.26	S	S	.	.			trans	-104.7	111	173.3	175	21.6	0	0	0	110.8	E1034 L1283 G1288 V1289	N1032-E1034 WeakPolarHBondContact OD1-CB 3.42Å; N1032-E1034 PolarHBondContact OD1-N 2.78Å; N1032-L1283 HydrophobicContact CB-CD1 4.08Å; N1032-G1288 PolarHBondContact ND2-O 3.03Å; N1032-V1289 PolarHBondContact N-O 3.27Å; N1032-V1289 VanDerWaalsContact O-CB 3.24Å; N1032-V1289 WeakPolarHBondContact O-CB 3.32Å; N1032-V1289 WeakPolarHBondContact O-CG1 3.19Å
1033	F	92.7	Very high	91.3	Very high	43 Å²	43	44.2 Å²	44.2	19%	0.189	24%	0.236	C	C	.	.			trans	-94.2	2.1	-179.3	-71	-83.3	0	0	0	114.7	M1021 L1024 V1030 Y1036 K1037 F1040	M1021-F1033 HydrophobicContact CB-CD1 4.35Å; M1021-F1033 HydrophobicContact CB-CE1 3.9Å; M1021-F1033 HydrophobicContact CB-CE2 4.1Å; M1021-F1033 HydrophobicContact CB-CZ 3.77Å; M1021-F1033 HydrophobicContact CE-CB 4.14Å; M1021-F1033 HydrophobicContact CE-CG 4.33Å; M1021-F1033 HydrophobicContact CG-CD1 3.75Å; M1021-F1033 HydrophobicContact CG-CD2 4.31Å; M1021-F1033 HydrophobicContact CG-CE1 3.78Å; M1021-F1033 HydrophobicContact CG-CE2 4.34Å; M1021-F1033 HydrophobicContact CG-CG 4.02Å; M1021-F1033 HydrophobicContact CG-CZ 4.09Å; M1021-F1033 VanDerWaalsContact O-CZ 3.3Å; M1021-F1033 WeakPolarHBondContact O-CZ 3.28Å; M1021-F1033 HydrophobicContact SD-CG 4.38Å; L1024-F1033 HydrophobicContact CB-CE1 3.99Å; L1024-F1033 HydrophobicContact CB-CZ 4.32Å; L1024-F1033 HydrophobicContact CD1-CE1 4.07Å; V1030-F1033 HydrophobicContact CB-CE1 3.94Å; V1030-F1033 HydrophobicContact CB-CE2 4.44Å; V1030-F1033 HydrophobicContact CB-CZ 3.77Å; V1030-F1033 HydrophobicContact CG1-CD1 3.69Å; V1030-F1033 HydrophobicContact CG1-CD2 4.16Å; V1030-F1033 HydrophobicContact CG1-CE1 3.35Å; V1030-F1033 HydrophobicContact CG1-CE2 3.85Å; V1030-F1033 HydrophobicContact CG1-CG 4.09Å; V1030-F1033 HydrophobicContact CG1-CZ 3.43Å; V1030-F1033 VanDerWaalsContact CG1-CZ 3.43Å; F1033-Y1036 HydrophobicContact CD1-CD2 4.17Å; F1033-Y1036 WeakPolarHBondContact O-CB 3.44Å; F1033-Y1036 PolarHBondContact O-N 3Å; F1033-Y1036 VanDerWaalsContact O-N 3.13Å; F1033-K1037 PolarHBondContact O-N 3.03Å; F1033-F1040 HydrophobicContact CD1-CZ 4.45Å
1034	E	91.9	Very high	91.2	Very high	151 Å²	151	45.3 Å²	45.3	71%	0.706	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-47.9	-178.7	176	171.9	-134.1	0	0	113.3	N1032 Y1036 K1037	N1032-E1034 WeakPolarHBondContact OD1-CB 3.42Å; N1032-E1034 PolarHBondContact OD1-N 2.78Å; E1034-Y1036 PolarHBondContact O-N 2.79Å; E1034-K1037 WeakPolarHBondContact O-CB 2.92Å; E1034-K1037 PolarHBondContact O-N 2.94Å; E1034-K1037 VanDerWaalsContact O-N 3.1Å
1035	P	90.1	Very high	91	Very high	42 Å²	42	48.5 Å²	48.5	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.1	175.5	-25.3	37.6	0	0	0	113.8	K1037 L1115 V1289	P1035-K1037 VanDerWaalsContact C-N 3.31Å; P1035-K1037 PolarHBondContact O-N 3.04Å; P1035-L1115 HydrophobicContact CB-CD1 3.81Å; P1035-V1289 HydrophobicContact CB-CG1 3.87Å; P1035-V1289 HydrophobicContact CG-CG1 3.64Å
1036	Y	92.5	Very high	90.6	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-72.7	-21.5	176.9	-89.2	-67.3	0	0	0	113.5	V1030 F1033 E1034 T1038 I1039 F1040 L1115 L1119 V1289	V1030-Y1036 HydrophobicContact CG1-CD2 4.09Å; V1030-Y1036 HydrophobicContact CG1-CE2 3.99Å; V1030-Y1036 HydrophobicContact CG2-CE2 3.9Å; F1033-Y1036 HydrophobicContact CD1-CD2 4.17Å; F1033-Y1036 WeakPolarHBondContact O-CB 3.44Å; F1033-Y1036 PolarHBondContact O-N 3Å; F1033-Y1036 VanDerWaalsContact O-N 3.13Å; E1034-Y1036 PolarHBondContact O-N 2.79Å; Y1036-T1038 PolarHBondContact O-N 3.38Å; Y1036-I1039 HydrophobicContact CD1-CD1 4.19Å; Y1036-I1039 HydrophobicContact CE1-CD1 4.41Å; Y1036-I1039 PolarHBondContact O-N 3.29Å; Y1036-F1040 HydrophobicContact CD1-CD1 4.07Å; Y1036-F1040 AromaticContact CD1-CE1 3.59Å; Y1036-F1040 HydrophobicContact CD1-CE1 3.59Å; Y1036-F1040 HydrophobicContact CE1-CE1 4.48Å; Y1036-F1040 HydrophobicContact CG-CD1 4.42Å; Y1036-F1040 AromaticContact CG-CE1 3.87Å; Y1036-F1040 HydrophobicContact CG-CE1 3.87Å; Y1036-F1040 WeakPolarHBondContact O-CD1 3.3Å; Y1036-F1040 PolarHBondContact O-N 3.1Å; Y1036-L1115 HydrophobicContact CE1-CB 4.3Å; Y1036-L1115 WeakPolarHBondContact CE1-O 3.24Å; Y1036-L1115 HydrophobicContact CE2-CD2 3.97Å; Y1036-L1115 PolarHBondContact OH-O 2.74Å; Y1036-L1115 VanDerWaalsContact OH-O 3.09Å; Y1036-L1119 HydrophobicContact CD1-CD1 4.04Å; Y1036-L1119 HydrophobicContact CE1-CD1 3.85Å; Y1036-L1119 HydrophobicContact CE1-CG 4.31Å; Y1036-V1289 HydrophobicContact CD2-CG1 4.32Å; Y1036-V1289 HydrophobicContact CE2-CB 4.31Å; Y1036-V1289 HydrophobicContact CE2-CG1 4.36Å; Y1036-V1289 HydrophobicContact CE2-CG2 3.96Å
1037	K	90.9	Very high	90.3	Very high	151 Å²	151	47.1 Å²	47.1	66%	0.657	25%	0.253	S	S	*	.	H	α-helix	trans	-51.7	-48.5	-175.3	-174.4	-179.5	180	-178.2	0	113.2	F1033 E1034 P1035 F1040 M1041	F1033-K1037 PolarHBondContact O-N 3.03Å; E1034-K1037 WeakPolarHBondContact O-CB 2.92Å; E1034-K1037 PolarHBondContact O-N 2.94Å; E1034-K1037 VanDerWaalsContact O-N 3.1Å; P1035-K1037 VanDerWaalsContact C-N 3.31Å; P1035-K1037 PolarHBondContact O-N 3.04Å; K1037-F1040 PolarHBondContact O-N 3.02Å; K1037-M1041 WeakPolarHBondContact O-CG 3.49Å; K1037-M1041 PolarHBondContact O-N 2.88Å
1038	T	88.9	Confident	90.1	Very high	87 Å²	87	49.6 Å²	49.6	53%	0.534	26%	0.262	S	S	.	.	H	α-helix	trans	-67	-38.6	179.9	-51	0	0	0	0	111.8	Y1036 N1042	Y1036-T1038 PolarHBondContact O-N 3.38Å; T1038-N1042 WeakPolarHBondContact O-CB 3.24Å; T1038-N1042 VanDerWaalsContact O-CG 3.22Å; T1038-N1042 PolarHBondContact O-N 2.94Å; T1038-N1042 VanDerWaalsContact O-N 3.13Å; T1038-N1042 PolarHBondContact O-OD1 2.83Å
1039	I	90.4	Very high	89.7	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.046	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-42.6	179	-45.3	179.7	0	0	0	110.3	Y1036 N1042 L1043 I1082 M1112 L1115 L1119	Y1036-I1039 HydrophobicContact CD1-CD1 4.19Å; Y1036-I1039 HydrophobicContact CE1-CD1 4.41Å; Y1036-I1039 PolarHBondContact O-N 3.29Å; I1039-N1042 PolarHBondContact O-N 3.27Å; I1039-L1043 HydrophobicContact CG2-CD1 4.17Å; I1039-L1043 WeakPolarHBondContact O-CB 3.44Å; I1039-L1043 WeakPolarHBondContact O-CG 3.4Å; I1039-L1043 PolarHBondContact O-N 2.86Å; I1039-I1082 HydrophobicContact CG2-CD1 4.35Å; I1039-M1112 HydrophobicContact CD1-CE 3.83Å; I1039-M1112 HydrophobicContact CG1-CE 3.7Å; I1039-L1115 HydrophobicContact CD1-CB 3.81Å; I1039-L1119 HydrophobicContact CB-CD1 4.46Å; I1039-L1119 HydrophobicContact CG2-CD1 3.72Å
1040	F	93	Very high	89.2	Confident	7 Å²	7	59.2 Å²	59.2	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-44.9	177.5	-81.7	31.6	0	0	0	111.7	I1012 M1021 L1024 F1033 Y1036 K1037 N1042 L1043 F1044 L1119	I1012-F1040 HydrophobicContact CD1-CD1 3.59Å; I1012-F1040 HydrophobicContact CD1-CD2 4.41Å; I1012-F1040 HydrophobicContact CD1-CE1 3.38Å; I1012-F1040 HydrophobicContact CD1-CE2 4.24Å; I1012-F1040 HydrophobicContact CD1-CG 4.12Å; I1012-F1040 HydrophobicContact CD1-CZ 3.74Å; I1012-F1040 HydrophobicContact CG1-CD1 4.16Å; I1012-F1040 HydrophobicContact CG1-CD2 4.13Å; I1012-F1040 HydrophobicContact CG1-CE1 4.1Å; I1012-F1040 HydrophobicContact CG1-CE2 4.07Å; I1012-F1040 HydrophobicContact CG1-CG 4.18Å; I1012-F1040 HydrophobicContact CG1-CZ 4.06Å; I1012-F1040 HydrophobicContact CG2-CB 4.2Å; I1012-F1040 HydrophobicContact CG2-CG 4.21Å; M1021-F1040 HydrophobicContact CE-CD2 4.45Å; M1021-F1040 HydrophobicContact CE-CE2 4Å; M1021-F1040 HydrophobicContact CG-CE2 4.08Å; M1021-F1040 HydrophobicContact CG-CZ 4.5Å; L1024-F1040 HydrophobicContact CD1-CE1 4Å; L1024-F1040 HydrophobicContact CD1-CZ 3.73Å; F1033-F1040 HydrophobicContact CD1-CZ 4.45Å; Y1036-F1040 HydrophobicContact CD1-CD1 4.07Å; Y1036-F1040 AromaticContact CD1-CE1 3.59Å; Y1036-F1040 HydrophobicContact CD1-CE1 3.59Å; Y1036-F1040 HydrophobicContact CE1-CE1 4.48Å; Y1036-F1040 HydrophobicContact CG-CD1 4.42Å; Y1036-F1040 AromaticContact CG-CE1 3.87Å; Y1036-F1040 HydrophobicContact CG-CE1 3.87Å; Y1036-F1040 WeakPolarHBondContact O-CD1 3.3Å; Y1036-F1040 PolarHBondContact O-N 3.1Å; K1037-F1040 PolarHBondContact O-N 3.02Å; F1040-N1042 PolarHBondContact O-N 2.85Å; F1040-L1043 PolarHBondContact O-N 3.33Å; F1040-F1044 VanDerWaalsContact O-CB 3.27Å; F1040-F1044 WeakPolarHBondContact O-CB 3.27Å; F1040-F1044 PolarHBondContact O-N 3Å; F1040-L1119 HydrophobicContact CD1-CD1 4.37Å; F1040-L1119 HydrophobicContact CE1-CD1 4.24Å
1041	M	90.1	Very high	88.5	Confident	93 Å²	93	62.3 Å²	62.3	46%	0.458	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-42.9	177.1	-73.5	-62.8	-64.9	0	0	111.8	W1017 K1037 F1044 S1045	W1017-M1041 HydrophobicContact CH2-SD 3.7Å; W1017-M1041 HydrophobicContact CZ2-SD 4.07Å; K1037-M1041 WeakPolarHBondContact O-CG 3.49Å; K1037-M1041 PolarHBondContact O-N 2.88Å; M1041-F1044 PolarHBondContact O-N 2.85Å; M1041-S1045 PolarHBondContact O-N 2.74Å; M1041-S1045 PolarHBondContact O-OG 2.94Å
1042	N	88.9	Confident	87.6	Confident	97 Å²	97	66.1 Å²	66.1	52%	0.519	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-39.4	179	-69.1	-4.2	0	0	0	112.6	T1038 I1039 F1040 S1045 A1046	T1038-N1042 WeakPolarHBondContact O-CB 3.24Å; T1038-N1042 VanDerWaalsContact O-CG 3.22Å; T1038-N1042 PolarHBondContact O-N 2.94Å; T1038-N1042 VanDerWaalsContact O-N 3.13Å; T1038-N1042 PolarHBondContact O-OD1 2.83Å; I1039-N1042 PolarHBondContact O-N 3.27Å; F1040-N1042 PolarHBondContact O-N 2.85Å; N1042-S1045 PolarHBondContact O-OG 2.89Å; N1042-S1045 VanDerWaalsContact O-OG 3.1Å; N1042-A1046 VanDerWaalsContact O-CB 3.24Å; N1042-A1046 WeakPolarHBondContact O-CB 3.07Å; N1042-A1046 PolarHBondContact O-N 3.05Å
1043	L	88.7	Confident	86.5	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-64.7	-42.5	172.9	-77.6	168.2	0	0	0	111.8	I1012 M1013 I1039 F1040 S1047 V1081 I1082 L1119	I1012-L1043 HydrophobicContact CD1-CD1 4.15Å; I1012-L1043 HydrophobicContact CG2-CB 3.7Å; I1012-L1043 HydrophobicContact CG2-CD1 4.18Å; M1013-L1043 HydrophobicContact CG-CB 4.44Å; I1039-L1043 HydrophobicContact CG2-CD1 4.17Å; I1039-L1043 WeakPolarHBondContact O-CB 3.44Å; I1039-L1043 WeakPolarHBondContact O-CG 3.4Å; I1039-L1043 PolarHBondContact O-N 2.86Å; F1040-L1043 PolarHBondContact O-N 3.33Å; L1043-S1047 PolarHBondContact O-N 3.22Å; L1043-S1047 VanDerWaalsContact O-N 3.16Å; L1043-V1081 HydrophobicContact CD2-CB 3.99Å; L1043-V1081 HydrophobicContact CD2-CG2 4.39Å; L1043-I1082 HydrophobicContact CD2-CD1 3.99Å; L1043-I1082 HydrophobicContact CD2-CG1 4.11Å; L1043-I1082 HydrophobicContact CG-CD1 4.36Å; L1043-L1119 HydrophobicContact CD1-CB 4.1Å; L1043-L1119 HydrophobicContact CD1-CD1 3.64Å; L1043-L1119 HydrophobicContact CD1-CG 4.4Å
1044	F	89.9	Confident	85.8	Confident	55 Å²	55	69.7 Å²	69.7	24%	0.241	37%	0.373	C	S	.	.	H	α-helix	trans	-68	-40.4	178.9	-177.2	-107.8	0	0	0	111.9	I1012 G1015 W1017 F1040 M1041 S1047 R1048	I1012-F1044 WeakPolarHBondContact O-CD2 3.23Å; G1015-F1044 VanDerWaalsContact CA-CE2 3.41Å; W1017-F1044 HydrophobicContact CZ2-CD1 4.24Å; W1017-F1044 HydrophobicContact CZ2-CG 4.31Å; W1017-F1044 AromaticContact NE1-CD2 3.98Å; F1040-F1044 VanDerWaalsContact O-CB 3.27Å; F1040-F1044 WeakPolarHBondContact O-CB 3.27Å; F1040-F1044 PolarHBondContact O-N 3Å; M1041-F1044 PolarHBondContact O-N 2.85Å; F1044-S1047 PolarHBondContact O-OG 2.87Å; F1044-R1048 VanDerWaalsContact CZ-NH2 3.28Å; F1044-R1048 PolarHBondContact O-NE 2.88Å; F1044-R1048 PolarHBondContact O-NH2 2.97Å
1045	S	87.8	Confident	84.5	Confident	67 Å²	67	68 Å²	68	47%	0.469	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-43.3	176.2	60.5	0	0	0	0	112.1	M1041 N1042 S1047 R1048	M1041-S1045 PolarHBondContact O-N 2.74Å; M1041-S1045 PolarHBondContact O-OG 2.94Å; N1042-S1045 PolarHBondContact O-OG 2.89Å; N1042-S1045 VanDerWaalsContact O-OG 3.1Å; S1045-S1047 VanDerWaalsContact C-N 3.27Å; S1045-S1047 PolarHBondContact O-N 2.88Å; S1045-R1048 PolarHBondContact O-N 2.85Å
1046	A	84.9	Confident	83.6	Confident	46 Å²	46	75 Å²	75	38%	0.38	41%	0.408	S	S	.	.	H	α-helix	trans	-73	-11.8	-179.2	0	0	0	0	0	114.6	N1042 R1048 V1081	N1042-A1046 VanDerWaalsContact O-CB 3.24Å; N1042-A1046 WeakPolarHBondContact O-CB 3.07Å; N1042-A1046 PolarHBondContact O-N 3.05Å; A1046-R1048 PolarHBondContact O-N 2.61Å; A1046-V1081 HydrophobicContact CB-CB 4.21Å; A1046-V1081 HydrophobicContact CB-CG1 3.49Å; A1046-V1081 VanDerWaalsContact CB-CG1 3.49Å; A1046-V1081 HydrophobicContact CB-CG2 3.6Å
1047	S	86.3	Confident	82.6	Confident	5 Å²	5	78.2 Å²	78.2	4%	0.035	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-4.2	174.9	76.3	0	0	0	0	114.6	M1013 L1043 F1044 S1045	M1013-S1047 PolarHBondContact O-OG 2.95Å; L1043-S1047 PolarHBondContact O-N 3.22Å; L1043-S1047 VanDerWaalsContact O-N 3.16Å; F1044-S1047 PolarHBondContact O-OG 2.87Å; S1045-S1047 VanDerWaalsContact C-N 3.27Å; S1045-S1047 PolarHBondContact O-N 2.88Å
1048	R	86	Confident	81.7	Confident	60 Å²	60	76.1 Å²	76.1	23%	0.226	43%	0.43	C	S	.	.			trans	-140.5	147.5	-179.8	73.2	-151.5	70	174.8	-2.5	112.8	F1044 S1045 A1046 F1061 A1062 Y1063	F1044-R1048 VanDerWaalsContact CZ-NH2 3.28Å; F1044-R1048 PolarHBondContact O-NE 2.88Å; F1044-R1048 PolarHBondContact O-NH2 2.97Å; S1045-R1048 PolarHBondContact O-N 2.85Å; A1046-R1048 PolarHBondContact O-N 2.61Å; R1048-F1061 HydrophobicContact CB-CD1 4.25Å; R1048-F1061 HydrophobicContact CG-CD1 3.78Å; R1048-F1061 HydrophobicContact CG-CE1 4.28Å; R1048-A1062 CarbonylContact C-O 3.44Å; R1048-A1062 VanDerWaalsContact CA-O 3.32Å; R1048-A1062 WeakPolarHBondContact CA-O 3.43Å; R1048-Y1063 HydrophobicContact CB-CD1 3.84Å; R1048-Y1063 HydrophobicContact CB-CE1 3.74Å
1049	I	82.7	Confident	81.3	Confident	98 Å²	98	74.1 Å²	74.1	50%	0.503	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.3	165.6	-62.1	171.8	0	0	0	107.1	F1061 A1062 P1064	I1049-F1061 WeakPolarHBondContact O-CA 3.42Å; I1049-A1062 HydrophobicContact CB-CB 4.36Å; I1049-A1062 PolarHBondContact N-O 2.9Å; I1049-A1062 PolarHBondContact O-N 2.78Å; I1049-P1064 HydrophobicContact CD1-CG 3.81Å; I1049-P1064 HydrophobicContact CG1-CG 4Å
1050	M	80.3	Confident	80.8	Confident	105 Å²	105	79.9 Å²	79.9	52%	0.517	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109.2	176.3	-174.3	-179.6	73.5	0	0	110.2	M1052 F1061	M1050-M1052 HydrophobicContact CE-CG 3.9Å; M1050-M1052 HydrophobicContact CE-SD 4.21Å; M1050-F1061 HydrophobicContact CB-CD1 4.26Å; M1050-F1061 HydrophobicContact CB-CE1 4.04Å; M1050-F1061 HydrophobicContact CG-CD1 4.41Å; M1050-F1061 HydrophobicContact CG-CE1 3.92Å; M1050-F1061 HydrophobicContact SD-CE1 4.32Å
1051	C	77.8	Confident	80.2	Confident	66 Å²	66	84.3 Å²	84.3	45%	0.446	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.8	169.7	-62.6	0	0	0	0	108.8	A1053 Q1060	C1051-A1053 PolarHBondContact O-N 3.01Å; C1051-Q1060 PolarHBondContact N-O 2.74Å; C1051-Q1060 PolarHBondContact O-N 3.24Å
1052	M	71.9	Confident	79.9	Confident	152 Å²	152	82 Å²	82	75%	0.749	46%	0.462	S	S	*	.			trans	-69.3	129.2	171.4	-63.3	-162.1	-60.3	0	0	109.6	M1050	M1050-M1052 HydrophobicContact CE-CG 3.9Å; M1050-M1052 HydrophobicContact CE-SD 4.21Å
1053	A	71.7	Confident	79.7	Confident	43 Å²	43	81.2 Å²	81.2	36%	0.355	45%	0.452	S	S	.	.			trans	-92.8	-166.9	178.7	0	0	0	0	0	110.8	C1051 V1057	C1051-A1053 PolarHBondContact O-N 3.01Å; A1053-V1057 HydrophobicContact CB-CB 3.81Å; A1053-V1057 HydrophobicContact CB-CG1 3.67Å
1054	L	77.8	Confident	79.5	Confident	125 Å²	125	83.1 Å²	83.1	65%	0.654	47%	0.465	S	S	*	.	S	Bend	trans	-55.9	151.4	170.2	-66.7	170.6	0	0	0	111.3	L1056 V1057	L1054-L1056 PolarHBondContact O-N 3.45Å; L1054-V1057 HydrophobicContact CB-CG2 3.99Å; L1054-V1057 WeakPolarHBondContact O-CB 3.48Å; L1054-V1057 PolarHBondContact O-N 2.87Å
1055	P	63.3	Low	79.2	Confident	115 Å²	115	82.8 Å²	82.8	75%	0.747	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	142.5	167.9	-26.5	35.3	0	0	0	111.6	V1057	P1055-V1057 PolarHBondContact O-N 2.81Å
1056	L	71.7	Confident	78.9	Confident	188 Å²	188	82.2 Å²	82.2	98%	0.984	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	-4.9	-171.7	-48.7	171.8	0	0	0	116.2	L1054	L1054-L1056 PolarHBondContact O-N 3.45Å
1057	V	71.4	Confident	78.7	Confident	69 Å²	69	81.8 Å²	81.8	42%	0.418	44%	0.443	S	S	.	.	S	Bend	trans	-97.1	132.1	172.4	-175.9	0	0	0	0	109.7	A1053 L1054 P1055	A1053-V1057 HydrophobicContact CB-CB 3.81Å; A1053-V1057 HydrophobicContact CB-CG1 3.67Å; L1054-V1057 HydrophobicContact CB-CG2 3.99Å; L1054-V1057 WeakPolarHBondContact O-CB 3.48Å; L1054-V1057 PolarHBondContact O-N 2.87Å; P1055-V1057 PolarHBondContact O-N 2.81Å
1058	P	72.6	Confident	78	Confident	108 Å²	108	90 Å²	90	70%	0.701	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-62.9	142.1	177.4	25.9	-34.6	0	0	0	111.5
1059	S	79.3	Confident	77.5	Confident	44 Å²	44	95.1 Å²	95.1	31%	0.308	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-60.7	137.3	178.6	-63.8	0	0	0	0	111.3
1060	Q	81.3	Confident	76.7	Confident	130 Å²	130	99.2 Å²	99.2	61%	0.607	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.9	-179	-62.4	-172.9	2.7	0	0	110.4	C1051	C1051-Q1060 PolarHBondContact N-O 2.74Å; C1051-Q1060 PolarHBondContact O-N 3.24Å
1061	F	80.7	Confident	75.8	Confident	101 Å²	101	96.8 Å²	96.8	44%	0.443	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.3	-179.8	-65.2	-74	0	0	0	111	R1048 I1049 M1050 Y1063	R1048-F1061 HydrophobicContact CB-CD1 4.25Å; R1048-F1061 HydrophobicContact CG-CD1 3.78Å; R1048-F1061 HydrophobicContact CG-CE1 4.28Å; I1049-F1061 WeakPolarHBondContact O-CA 3.42Å; M1050-F1061 HydrophobicContact CB-CD1 4.26Å; M1050-F1061 HydrophobicContact CB-CE1 4.04Å; M1050-F1061 HydrophobicContact CG-CD1 4.41Å; M1050-F1061 HydrophobicContact CG-CE1 3.92Å; M1050-F1061 HydrophobicContact SD-CE1 4.32Å; F1061-Y1063 HydrophobicContact CB-CE1 4.5Å; F1061-Y1063 HydrophobicContact CB-CE2 3.82Å; F1061-Y1063 WeakPolarHBondContact O-CD2 3.46Å; F1061-Y1063 WeakPolarHBondContact O-CE2 3.32Å
1062	A	82.5	Confident	75.2	Confident	45 Å²	45	96.3 Å²	96.3	37%	0.372	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	146	166.8	0	0	0	0	0	109.5	R1048 I1049	R1048-A1062 CarbonylContact C-O 3.44Å; R1048-A1062 VanDerWaalsContact CA-O 3.32Å; R1048-A1062 WeakPolarHBondContact CA-O 3.43Å; I1049-A1062 HydrophobicContact CB-CB 4.36Å; I1049-A1062 PolarHBondContact N-O 2.9Å; I1049-A1062 PolarHBondContact O-N 2.78Å
1063	Y	85.2	Confident	74.9	Confident	79 Å²	79	94.8 Å²	94.8	31%	0.31	50%	0.504	S	S	.	.			trans	-125.4	103.1	-171.2	-65.7	-82.5	0	0	0	110.2	W1001 R1048 F1061 Q1065	W1001-Y1063 AromaticContact CH2-CD1 3.66Å; W1001-Y1063 HydrophobicContact CH2-CD1 3.66Å; W1001-Y1063 HydrophobicContact CH2-CG 4.11Å; W1001-Y1063 HydrophobicContact CZ2-CD1 4.42Å; W1001-Y1063 HydrophobicContact CZ2-CG 4.44Å; W1001-Y1063 HydrophobicContact CZ3-CD1 4.27Å; R1048-Y1063 HydrophobicContact CB-CD1 3.84Å; R1048-Y1063 HydrophobicContact CB-CE1 3.74Å; F1061-Y1063 HydrophobicContact CB-CE1 4.5Å; F1061-Y1063 HydrophobicContact CB-CE2 3.82Å; F1061-Y1063 WeakPolarHBondContact O-CD2 3.46Å; F1061-Y1063 WeakPolarHBondContact O-CE2 3.32Å; Y1063-Q1065 WeakPolarHBondContact O-CG 3.38Å
1064	P	83.4	Confident	75	Confident	45 Å²	45	96.7 Å²	96.7	29%	0.292	51%	0.511	S	S	.	.			trans	-62.3	140.4	179.1	-24	35.5	0	0	0	112.6	I1049 A1079	I1049-P1064 HydrophobicContact CD1-CG 3.81Å; I1049-P1064 HydrophobicContact CG1-CG 4Å; P1064-A1079 HydrophobicContact CB-CB 3.79Å; P1064-A1079 PolarHBondContact O-N 2.88Å
1065	Q	84.3	Confident	75	Confident	47 Å²	47	92.4 Å²	92.4	22%	0.22	49%	0.491	C	S	.	.	B	Isolated β-bridge	trans	-125.9	131.1	-174	-59	-174.8	8.6	0	0	111.8	Y1063 L1077	Y1063-Q1065 WeakPolarHBondContact O-CG 3.38Å; Q1065-L1077 CarbonylContact C-O 3.6Å; Q1065-L1077 WeakPolarHBondContact CA-O 3.47Å; Q1065-L1077 VanDerWaalsContact CB-O 3.31Å; Q1065-L1077 WeakPolarHBondContact CB-O 3.27Å
1066	R	82.5	Confident	75.9	Confident	55 Å²	55	87 Å²	87	21%	0.208	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-35.5	-177.8	65.3	178.6	174.2	-100.4	12.4	113.4	D1010 W1068 L1077 P1078	D1010-R1066 IonicContact OD1-CZ 3.81Å; D1010-R1066 IonicContact OD1-NH1 2.69Å; D1010-R1066 PolarHBondContact OD1-NH1 3.43Å; D1010-R1066 IonicContact OD1-NH2 3.67Å; D1010-R1066 IonicContact OD2-CZ 3.69Å; D1010-R1066 IonicContact OD2-NH1 2.94Å; D1010-R1066 PolarHBondContact OD2-NH1 2.8Å; D1010-R1066 IonicContact OD2-NH2 2.78Å; D1010-R1066 PolarHBondContact OD2-NH2 3.44Å; R1066-W1068 PolarHBondContact O-N 2.89Å; R1066-L1077 HydrophobicContact CG-CB 4.12Å; R1066-L1077 PolarHBondContact N-O 3.24Å; R1066-L1077 VanDerWaalsContact N-O 3.09Å; R1066-P1078 VanDerWaalsContact CG-O 3.31Å; R1066-P1078 WeakPolarHBondContact CG-O 3.45Å; R1066-P1078 PolarHBondContact NH1-O 2.83Å
1067	N	79.7	Confident	76.6	Confident	37 Å²	37	79.6 Å²	79.6	20%	0.198	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	16.1	-171.8	62.7	-22.8	0	0	0	114.1	K1069 K1070 V1071 S1075 L1077	N1067-K1069 VanDerWaalsContact C-N 3.26Å; N1067-K1069 PolarHBondContact O-N 2.96Å; N1067-K1070 PolarHBondContact O-N 3.49Å; N1067-V1071 PolarHBondContact O-N 2.93Å; N1067-V1071 WeakPolarHBondContact OD1-CG2 3.49Å; N1067-S1075 PolarHBondContact ND2-O 2.87Å; N1067-L1077 PolarHBondContact OD1-N 2.96Å; N1067-L1077 VanDerWaalsContact OD1-N 3.13Å
1068	W	72.3	Confident	77.3	Confident	178 Å²	178	76.4 Å²	76.4	67%	0.674	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-43.9	-39.5	-168	66.5	-90.1	0	0	0	116	R1066 K1070	R1066-W1068 PolarHBondContact O-N 2.89Å; W1068-K1070 PolarHBondContact O-N 3.19Å; W1068-K1070 VanDerWaalsContact O-N 3.15Å
1069	K	74.1	Confident	78	Confident	167 Å²	167	72.7 Å²	72.7	73%	0.726	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.5	-12.4	176.8	-64.2	-172.2	178.1	-177	0	115.1	N1067	N1067-K1069 VanDerWaalsContact C-N 3.26Å; N1067-K1069 PolarHBondContact O-N 2.96Å
1070	K	66.9	Low	78	Confident	184 Å²	184	73.7 Å²	73.7	80%	0.8	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-132.6	15.6	-174.6	-62.9	-175.5	178.6	179.2	0	113.2	N1067 W1068 S1072	N1067-K1070 PolarHBondContact O-N 3.49Å; W1068-K1070 PolarHBondContact O-N 3.19Å; W1068-K1070 VanDerWaalsContact O-N 3.15Å; K1070-S1072 PolarHBondContact O-N 3.05Å
1071	V	60.3	Low	78	Confident	55 Å²	55	70.6 Å²	70.6	33%	0.333	37%	0.373	S	S	.	.			trans	-73.9	120.2	-176.7	172.3	0	0	0	0	110.8	N1067 A1076	N1067-V1071 PolarHBondContact O-N 2.93Å; N1067-V1071 WeakPolarHBondContact OD1-CG2 3.49Å; V1071-A1076 HydrophobicContact CG1-CB 4.41Å
1072	S	66.7	Low	78.2	Confident	56 Å²	56	66.5 Å²	66.5	39%	0.392	36%	0.355	S	S	.	.			trans	-86.2	166.7	157.4	77.8	0	0	0	0	109.2	K1070 T1074 S1075	K1070-S1072 PolarHBondContact O-N 3.05Å; S1072-T1074 PolarHBondContact O-N 2.85Å; S1072-T1074 PolarHBondContact OG-N 3.3Å; S1072-T1074 PolarHBondContact OG-OG1 3.36Å; S1072-S1075 PolarHBondContact N-OG 3.08Å; S1072-S1075 PolarHBondContact O-N 3.44Å; S1072-S1075 VanDerWaalsContact O-N 3.13Å; S1072-S1075 WeakPolarHBondContact OG-CB 3.34Å; S1072-S1075 PolarHBondContact OG-N 3.25Å; S1072-S1075 PolarHBondContact OG-OG 2.81Å
1073	S	66	Low	78.4	Confident	119 Å²	119	67.2 Å²	67.2	83%	0.832	36%	0.357	S	S	*	.	S	Bend	trans	-58.1	-11.9	178	52.7	0	0	0	0	115.2
1074	T	73.7	Confident	78.5	Confident	83 Å²	83	64.3 Å²	64.3	51%	0.509	35%	0.347	S	S	.	.	S	Bend	trans	-113.6	-20.7	175.3	54.3	0	0	0	0	114.3	N1004 S1072 A1076	N1004-T1074 PolarHBondContact ND2-O 2.73Å; N1004-T1074 PolarHBondContact OD1-O 3.01Å; S1072-T1074 PolarHBondContact O-N 2.85Å; S1072-T1074 PolarHBondContact OG-N 3.3Å; S1072-T1074 PolarHBondContact OG-OG1 3.36Å; T1074-A1076 PolarHBondContact O-N 2.76Å
1075	S	77.6	Confident	78.7	Confident	35 Å²	35	67.6 Å²	67.6	25%	0.245	36%	0.362	C	S	.	.			trans	-93.8	15.4	-166.3	73.7	0	0	0	0	116.5	N1004 N1067 S1072	N1004-S1075 VanDerWaalsContact ND2-C 3.34Å; N1004-S1075 WeakPolarHBondContact ND2-CA 3.23Å; N1067-S1075 PolarHBondContact ND2-O 2.87Å; S1072-S1075 PolarHBondContact N-OG 3.08Å; S1072-S1075 PolarHBondContact O-N 3.44Å; S1072-S1075 VanDerWaalsContact O-N 3.13Å; S1072-S1075 WeakPolarHBondContact OG-CB 3.34Å; S1072-S1075 PolarHBondContact OG-N 3.25Å; S1072-S1075 PolarHBondContact OG-OG 2.81Å
1076	A	81.5	Confident	78.9	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	36%	0.363	C	S	.	.			trans	-58.4	142.7	-178.5	0	0	0	0	0	113.3	N1004 V1071 T1074	N1004-A1076 PolarHBondContact ND2-N 3.13Å; N1004-A1076 PolarHBondContact ND2-O 3.32Å; V1071-A1076 HydrophobicContact CG1-CB 4.41Å; T1074-A1076 PolarHBondContact O-N 2.76Å
1077	L	86.1	Confident	79.3	Confident	32 Å²	32	64.8 Å²	64.8	17%	0.168	35%	0.353	C	S	.	.			trans	-139.1	143.8	174.7	-69.5	172.5	0	0	0	110.9	N1004 Q1065 R1066 N1067	N1004-L1077 HydrophobicContact CB-CD2 3.72Å; Q1065-L1077 CarbonylContact C-O 3.6Å; Q1065-L1077 WeakPolarHBondContact CA-O 3.47Å; Q1065-L1077 VanDerWaalsContact CB-O 3.31Å; Q1065-L1077 WeakPolarHBondContact CB-O 3.27Å; R1066-L1077 HydrophobicContact CG-CB 4.12Å; R1066-L1077 PolarHBondContact N-O 3.24Å; R1066-L1077 VanDerWaalsContact N-O 3.09Å; N1067-L1077 PolarHBondContact OD1-N 2.96Å; N1067-L1077 VanDerWaalsContact OD1-N 3.13Å
1078	P	87.4	Confident	79.7	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-71.1	154.7	-175	30.5	-34.9	0	0	0	112.6	W1001 D1010 M1013 R1066	W1001-P1078 HydrophobicContact CD2-CB 3.89Å; W1001-P1078 HydrophobicContact CD2-CG 4.07Å; W1001-P1078 HydrophobicContact CE3-CB 3.93Å; W1001-P1078 HydrophobicContact CE3-CG 4.22Å; W1001-P1078 HydrophobicContact CG-CG 4.3Å; W1001-P1078 HydrophobicContact CH2-CB 3.85Å; W1001-P1078 HydrophobicContact CZ2-CB 3.83Å; W1001-P1078 HydrophobicContact CZ3-CB 3.93Å; D1010-P1078 HydrophobicContact CB-CG 4.14Å; D1010-P1078 VanDerWaalsContact OD1-CG 3.26Å; D1010-P1078 WeakPolarHBondContact OD1-CG 3.31Å; M1013-P1078 HydrophobicContact CB-CB 4.22Å; M1013-P1078 HydrophobicContact CB-CG 4.22Å; M1013-P1078 HydrophobicContact CE-CB 4.05Å; M1013-P1078 HydrophobicContact CE-CG 3.66Å; M1013-P1078 HydrophobicContact SD-CB 3.98Å; M1013-P1078 HydrophobicContact SD-CG 4.22Å; R1066-P1078 VanDerWaalsContact CG-O 3.31Å; R1066-P1078 WeakPolarHBondContact CG-O 3.45Å; R1066-P1078 PolarHBondContact NH1-O 2.83Å
1079	A	85.7	Confident	80.5	Confident	31 Å²	31	61.4 Å²	61.4	26%	0.256	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-68.4	135	172.1	0	0	0	0	0	111.7	M1013 P1064 V1081	M1013-A1079 VanDerWaalsContact SD-O 3.37Å; P1064-A1079 HydrophobicContact CB-CB 3.79Å; P1064-A1079 PolarHBondContact O-N 2.88Å; A1079-V1081 PolarHBondContact O-N 2.83Å
1080	P	79.8	Confident	81.3	Confident	65 Å²	65	57 Å²	57	42%	0.422	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-69.2	127.3	174.4	29.6	-34.8	0	0	0	110.4	V1121	P1080-V1121 HydrophobicContact CB-CB 4.42Å
1081	V	81.3	Confident	82.4	Confident	65 Å²	65	49 Å²	49	39%	0.394	30%	0.295	S	S	.	.	S	Bend	trans	-87.7	-34.5	179.4	178.6	0	0	0	0	111.6	M1013 L1043 A1046 A1079	M1013-V1081 HydrophobicContact SD-CG2 4.08Å; L1043-V1081 HydrophobicContact CD2-CB 3.99Å; L1043-V1081 HydrophobicContact CD2-CG2 4.39Å; A1046-V1081 HydrophobicContact CB-CB 4.21Å; A1046-V1081 HydrophobicContact CB-CG1 3.49Å; A1046-V1081 VanDerWaalsContact CB-CG1 3.49Å; A1046-V1081 HydrophobicContact CB-CG2 3.6Å; A1079-V1081 PolarHBondContact O-N 2.83Å
1082	I	84.5	Confident	83.8	Confident	15 Å²	15	51 Å²	51	8%	0.077	30%	0.301	C	S	.	.	S	Bend	trans	-104.5	124.4	179.1	-55.4	175.1	0	0	0	107.3	I1039 L1043 L1087 L1120	I1039-I1082 HydrophobicContact CG2-CD1 4.35Å; L1043-I1082 HydrophobicContact CD2-CD1 3.99Å; L1043-I1082 HydrophobicContact CD2-CG1 4.11Å; L1043-I1082 HydrophobicContact CG-CD1 4.36Å; I1082-L1087 HydrophobicContact CG2-CD1 4.41Å; I1082-L1087 HydrophobicContact CG2-CD2 3.75Å; I1082-L1087 HydrophobicContact CG2-CG 3.99Å; I1082-L1120 HydrophobicContact CB-CD2 4.46Å; I1082-L1120 HydrophobicContact CG2-CD2 3.83Å
1083	S	87.8	Confident	84.9	Confident	60 Å²	60	50.6 Å²	50.6	42%	0.42	30%	0.296	S	S	.	.			trans	-107.2	160.7	174.1	70.4	0	0	0	0	110.7	N1085 D1086 L1087	S1083-N1085 PolarHBondContact O-N 2.84Å; S1083-D1086 PolarHBondContact O-N 2.82Å; S1083-D1086 PolarHBondContact OG-N 2.95Å; S1083-L1087 PolarHBondContact O-N 2.77Å
1084	L	86.8	Confident	86	Confident	17 Å²	17	45 Å²	45	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-59.7	-38.2	174.5	-174.9	59.4	0	0	0	111.2	D1086 L1087 I1088 L1120 E1127 E1130 A1131 L1134	L1084-D1086 PolarHBondContact O-N 3.11Å; L1084-L1087 PolarHBondContact O-N 2.74Å; L1084-L1087 VanDerWaalsContact O-N 3.08Å; L1084-I1088 HydrophobicContact CG-CD1 4.14Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.49Å; L1084-I1088 PolarHBondContact O-N 2.92Å; L1084-L1120 HydrophobicContact CD1-CD1 4.19Å; L1084-E1127 HydrophobicContact CD2-CB 4.32Å; L1084-E1127 HydrophobicContact CD2-CG 4.43Å; L1084-E1130 HydrophobicContact CD2-CB 3.81Å; L1084-E1130 WeakPolarHBondContact CD2-OE2 3.12Å; L1084-A1131 HydrophobicContact CD1-CB 4.39Å; L1084-L1134 HydrophobicContact CD1-CD2 4.33Å
1085	N	88.2	Confident	86.8	Confident	115 Å²	115	42 Å²	42	62%	0.615	24%	0.236	S	C	*	.	H	α-helix	trans	-63.8	-38.4	177.9	-64.4	1.7	0	0	0	112.8	S1083 L1087 I1088 T1089	S1083-N1085 PolarHBondContact O-N 2.84Å; N1085-L1087 VanDerWaalsContact C-N 3.29Å; N1085-L1087 PolarHBondContact O-N 3.12Å; N1085-I1088 PolarHBondContact O-N 3Å; N1085-T1089 PolarHBondContact O-N 3.25Å; N1085-T1089 PolarHBondContact O-OG1 2.98Å
1086	D	87.8	Confident	87.3	Confident	42 Å²	42	45.8 Å²	45.8	23%	0.225	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-31.3	172.9	162.9	61.1	0	0	0	112	S1083 L1084 T1089 R1090	S1083-D1086 PolarHBondContact O-N 2.82Å; S1083-D1086 PolarHBondContact OG-N 2.95Å; L1084-D1086 PolarHBondContact O-N 3.11Å; D1086-T1089 PolarHBondContact O-OG1 2.91Å; D1086-R1090 VanDerWaalsContact CG-CZ 3.47Å; D1086-R1090 VanDerWaalsContact CG-NE 3.31Å; D1086-R1090 WeakPolarHBondContact O-CB 3.47Å; D1086-R1090 WeakPolarHBondContact O-CD 2.99Å; D1086-R1090 WeakPolarHBondContact O-CG 3.37Å; D1086-R1090 PolarHBondContact O-N 3.27Å; D1086-R1090 PolarHBondContact O-NE 3.4Å; D1086-R1090 IonicContact OD1-CZ 3.37Å; D1086-R1090 IonicContact OD1-NE 3.63Å; D1086-R1090 PolarHBondContact OD1-NE 3.1Å; D1086-R1090 IonicContact OD1-NH2 3.74Å; D1086-R1090 PolarHBondContact OD1-NH2 2.9Å; D1086-R1090 IonicContact OD2-CZ 3.51Å; D1086-R1090 IonicContact OD2-NE 2.69Å; D1086-R1090 PolarHBondContact OD2-NE 2.68Å; D1086-R1090 IonicContact OD2-NH1 2.76Å; D1086-R1090 IonicContact OD2-NH2 3.22Å; D1086-R1090 PolarHBondContact OD2-NH2 3.32Å
1087	L	90.9	Very high	87.6	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-74.6	-30.7	171.1	-59	-167	0	0	0	112.9	I1082 S1083 L1084 N1085 R1090 L1091 I1113 I1117 L1120 L1134	I1082-L1087 HydrophobicContact CG2-CD1 4.41Å; I1082-L1087 HydrophobicContact CG2-CD2 3.75Å; I1082-L1087 HydrophobicContact CG2-CG 3.99Å; S1083-L1087 PolarHBondContact O-N 2.77Å; L1084-L1087 PolarHBondContact O-N 2.74Å; L1084-L1087 VanDerWaalsContact O-N 3.08Å; N1085-L1087 VanDerWaalsContact C-N 3.29Å; N1085-L1087 PolarHBondContact O-N 3.12Å; L1087-R1090 PolarHBondContact O-N 2.79Å; L1087-L1091 PolarHBondContact O-N 2.97Å; L1087-I1113 HydrophobicContact CB-CG2 4.29Å; L1087-I1117 HydrophobicContact CD1-CG1 3.72Å; L1087-L1120 HydrophobicContact CD1-CD1 4.03Å; L1087-L1120 HydrophobicContact CD1-CD2 3.96Å; L1087-L1120 HydrophobicContact CD1-CG 4.11Å; L1087-L1120 HydrophobicContact CG-CD2 4.4Å; L1087-L1134 HydrophobicContact CB-CD2 3.76Å; L1087-L1134 HydrophobicContact CD1-CD2 4.25Å
1088	I	88.6	Confident	87.7	Confident	70 Å²	70	46.4 Å²	46.4	36%	0.359	25%	0.252	S	S	.	.	H	α-helix	trans	-71	-42.8	175.9	-67.5	164.9	0	0	0	111.6	L1084 N1085 R1090 L1091 Q1092	L1084-I1088 HydrophobicContact CG-CD1 4.14Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.49Å; L1084-I1088 PolarHBondContact O-N 2.92Å; N1085-I1088 PolarHBondContact O-N 3Å; I1088-R1090 VanDerWaalsContact C-N 3.3Å; I1088-R1090 PolarHBondContact O-N 2.88Å; I1088-L1091 VanDerWaalsContact O-CB 3.29Å; I1088-L1091 WeakPolarHBondContact O-CB 3.2Å; I1088-L1091 PolarHBondContact O-N 2.79Å; I1088-L1091 VanDerWaalsContact O-N 3.09Å; I1088-Q1092 PolarHBondContact O-N 3.12Å; I1088-Q1092 VanDerWaalsContact O-N 3.11Å
1089	T	89.1	Confident	87.5	Confident	75 Å²	75	48 Å²	48	46%	0.46	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-35.2	173.9	58.2	0	0	0	0	111.5	N1085 D1086 L1091 Q1092 T1093	N1085-T1089 PolarHBondContact O-N 3.25Å; N1085-T1089 PolarHBondContact O-OG1 2.98Å; D1086-T1089 PolarHBondContact O-OG1 2.91Å; T1089-L1091 VanDerWaalsContact C-N 3.33Å; T1089-L1091 PolarHBondContact O-N 2.73Å; T1089-Q1092 PolarHBondContact O-N 3.49Å; T1089-T1093 PolarHBondContact O-N 2.91Å
1090	R	90.2	Very high	87.3	Confident	73 Å²	73	52.9 Å²	52.9	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-37.4	169.6	-69.5	166.1	-164.9	-157.6	2	112.2	D1086 L1087 I1088 T1093 A1094 I1113	D1086-R1090 VanDerWaalsContact CG-CZ 3.47Å; D1086-R1090 VanDerWaalsContact CG-NE 3.31Å; D1086-R1090 WeakPolarHBondContact O-CB 3.47Å; D1086-R1090 WeakPolarHBondContact O-CD 2.99Å; D1086-R1090 WeakPolarHBondContact O-CG 3.37Å; D1086-R1090 PolarHBondContact O-N 3.27Å; D1086-R1090 PolarHBondContact O-NE 3.4Å; D1086-R1090 IonicContact OD1-CZ 3.37Å; D1086-R1090 IonicContact OD1-NE 3.63Å; D1086-R1090 PolarHBondContact OD1-NE 3.1Å; D1086-R1090 IonicContact OD1-NH2 3.74Å; D1086-R1090 PolarHBondContact OD1-NH2 2.9Å; D1086-R1090 IonicContact OD2-CZ 3.51Å; D1086-R1090 IonicContact OD2-NE 2.69Å; D1086-R1090 PolarHBondContact OD2-NE 2.68Å; D1086-R1090 IonicContact OD2-NH1 2.76Å; D1086-R1090 IonicContact OD2-NH2 3.22Å; D1086-R1090 PolarHBondContact OD2-NH2 3.32Å; L1087-R1090 PolarHBondContact O-N 2.79Å; I1088-R1090 VanDerWaalsContact C-N 3.3Å; I1088-R1090 PolarHBondContact O-N 2.88Å; R1090-T1093 PolarHBondContact O-N 2.87Å; R1090-T1093 PolarHBondContact O-OG1 2.91Å; R1090-A1094 PolarHBondContact O-N 2.94Å; R1090-A1094 VanDerWaalsContact O-N 3.1Å; R1090-I1113 HydrophobicContact CB-CD1 3.85Å; R1090-I1113 HydrophobicContact CB-CG1 3.83Å
1091	L	90.7	Very high	87.4	Confident	17 Å²	17	50.6 Å²	50.6	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-44.3	176.1	-172.7	73.6	0	0	0	111.4	L1087 I1088 T1089 T1093 A1094 Y1095 F1110 I1113 L1134 I1137	L1087-L1091 PolarHBondContact O-N 2.97Å; I1088-L1091 VanDerWaalsContact O-CB 3.29Å; I1088-L1091 WeakPolarHBondContact O-CB 3.2Å; I1088-L1091 PolarHBondContact O-N 2.79Å; I1088-L1091 VanDerWaalsContact O-N 3.09Å; T1089-L1091 VanDerWaalsContact C-N 3.33Å; T1089-L1091 PolarHBondContact O-N 2.73Å; L1091-T1093 VanDerWaalsContact C-N 3.29Å; L1091-T1093 PolarHBondContact O-N 2.88Å; L1091-A1094 WeakPolarHBondContact O-CA 3.45Å; L1091-A1094 WeakPolarHBondContact O-CB 3.32Å; L1091-A1094 PolarHBondContact O-N 2.91Å; L1091-Y1095 HydrophobicContact CD1-CD1 4.43Å; L1091-Y1095 HydrophobicContact CD1-CE1 3.84Å; L1091-Y1095 HydrophobicContact CD2-CE1 4.3Å; L1091-Y1095 HydrophobicContact CD2-CE2 4.21Å; L1091-Y1095 HydrophobicContact CG-CD1 4.33Å; L1091-Y1095 HydrophobicContact CG-CE1 3.87Å; L1091-Y1095 HydrophobicContact CG-CE2 4.3Å; L1091-Y1095 PolarHBondContact O-N 2.89Å; L1091-F1110 HydrophobicContact CD1-CD1 4.02Å; L1091-F1110 HydrophobicContact CD1-CE1 3.72Å; L1091-I1113 HydrophobicContact CB-CD1 4.37Å; L1091-I1113 HydrophobicContact CD1-CD1 4.46Å; L1091-L1134 HydrophobicContact CB-CD1 4.43Å; L1091-L1134 HydrophobicContact CD1-CD1 3.97Å; L1091-L1134 HydrophobicContact CD2-CD1 3.76Å; L1091-L1134 HydrophobicContact CG-CD1 4.28Å; L1091-I1137 HydrophobicContact CD1-CG2 3.95Å; L1091-I1137 HydrophobicContact CD2-CG2 4.39Å
1092	Q	89.8	Confident	87.7	Confident	98 Å²	98	53 Å²	53	46%	0.458	27%	0.271	S	S	.	.	H	α-helix	trans	-56.1	-42.2	174.1	-67	171.1	-31.8	0	0	111.7	I1088 T1089 A1094 Y1095 Q1096	I1088-Q1092 PolarHBondContact O-N 3.12Å; I1088-Q1092 VanDerWaalsContact O-N 3.11Å; T1089-Q1092 PolarHBondContact O-N 3.49Å; Q1092-A1094 VanDerWaalsContact C-N 3.31Å; Q1092-A1094 PolarHBondContact O-N 2.8Å; Q1092-Y1095 PolarHBondContact O-N 3.23Å; Q1092-Q1096 WeakPolarHBondContact O-CG 3.44Å; Q1092-Q1096 PolarHBondContact O-N 3.09Å
1093	T	89	Confident	87.9	Confident	47 Å²	47	52.9 Å²	52.9	29%	0.288	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-31.1	174.6	66.4	0	0	0	0	113.4	T1089 R1090 L1091 L1097 R1109	T1089-T1093 PolarHBondContact O-N 2.91Å; R1090-T1093 PolarHBondContact O-N 2.87Å; R1090-T1093 PolarHBondContact O-OG1 2.91Å; L1091-T1093 VanDerWaalsContact C-N 3.29Å; L1091-T1093 PolarHBondContact O-N 2.88Å; T1093-L1097 WeakPolarHBondContact O-CG 3.45Å; T1093-L1097 PolarHBondContact O-N 3.28Å; T1093-R1109 PolarHBondContact OG1-NE 3.34Å; T1093-R1109 PolarHBondContact OG1-NH2 2.92Å; T1093-R1109 VanDerWaalsContact OG1-NH2 3.12Å
1094	A	90.1	Very high	88.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-74.1	-36.1	175.4	0	0	0	0	0	112.2	R1090 L1091 Q1092 L1097 T1098 R1109 F1110 I1113	R1090-A1094 PolarHBondContact O-N 2.94Å; R1090-A1094 VanDerWaalsContact O-N 3.1Å; L1091-A1094 WeakPolarHBondContact O-CA 3.45Å; L1091-A1094 WeakPolarHBondContact O-CB 3.32Å; L1091-A1094 PolarHBondContact O-N 2.91Å; Q1092-A1094 VanDerWaalsContact C-N 3.31Å; Q1092-A1094 PolarHBondContact O-N 2.8Å; A1094-L1097 PolarHBondContact O-N 3.13Å; A1094-T1098 PolarHBondContact O-N 3.25Å; A1094-T1098 PolarHBondContact O-OG1 2.88Å; A1094-R1109 HydrophobicContact CB-CB 4.01Å; A1094-R1109 HydrophobicContact CB-CG 3.77Å; A1094-F1110 HydrophobicContact CB-CD1 3.76Å; A1094-F1110 HydrophobicContact CB-CD2 4.21Å; A1094-F1110 HydrophobicContact CB-CE1 3.52Å; A1094-F1110 HydrophobicContact CB-CE2 3.98Å; A1094-F1110 HydrophobicContact CB-CG 4.1Å; A1094-F1110 HydrophobicContact CB-CZ 3.63Å; A1094-I1113 HydrophobicContact CB-CD1 4.41Å
1095	Y	90.8	Very high	88.2	Confident	21 Å²	21	57.2 Å²	57.2	8%	0.082	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-51.5	171.7	-71.8	-2	0	0	0	110.6	L1091 Q1092 L1097 T1098 T1099 F1110 I1137 Y1141 E1178	L1091-Y1095 HydrophobicContact CD1-CD1 4.43Å; L1091-Y1095 HydrophobicContact CD1-CE1 3.84Å; L1091-Y1095 HydrophobicContact CD2-CE1 4.3Å; L1091-Y1095 HydrophobicContact CD2-CE2 4.21Å; L1091-Y1095 HydrophobicContact CG-CD1 4.33Å; L1091-Y1095 HydrophobicContact CG-CE1 3.87Å; L1091-Y1095 HydrophobicContact CG-CE2 4.3Å; L1091-Y1095 PolarHBondContact O-N 2.89Å; Q1092-Y1095 PolarHBondContact O-N 3.23Å; Y1095-L1097 VanDerWaalsContact C-N 3.31Å; Y1095-L1097 PolarHBondContact O-N 3.23Å; Y1095-T1098 WeakPolarHBondContact O-CA 3.29Å; Y1095-T1098 VanDerWaalsContact O-CB 3.27Å; Y1095-T1098 WeakPolarHBondContact O-CB 3.47Å; Y1095-T1098 PolarHBondContact O-N 3.47Å; Y1095-T1099 PolarHBondContact O-N 3.07Å; Y1095-T1099 PolarHBondContact O-OG1 2.82Å; Y1095-F1110 AromaticContact CD1-CE1 3.95Å; Y1095-F1110 HydrophobicContact CD1-CE1 3.95Å; Y1095-F1110 AromaticContact CD1-CZ 3.86Å; Y1095-F1110 HydrophobicContact CD1-CZ 3.86Å; Y1095-F1110 AromaticContact CE1-CE1 3.91Å; Y1095-F1110 HydrophobicContact CE1-CE1 3.91Å; Y1095-F1110 HydrophobicContact CE1-CZ 4.14Å; Y1095-I1137 HydrophobicContact CE1-CG2 4.24Å; Y1095-I1137 WeakPolarHBondContact OH-CG2 3.21Å; Y1095-Y1141 HydrophobicContact CD1-CE1 4.28Å; Y1095-Y1141 HydrophobicContact CD1-CE2 4.3Å; Y1095-Y1141 AromaticContact CD1-CZ 3.92Å; Y1095-Y1141 HydrophobicContact CE1-CD2 4.13Å; Y1095-Y1141 HydrophobicContact CE1-CE1 4.23Å; Y1095-Y1141 AromaticContact CE1-CE2 3.45Å; Y1095-Y1141 HydrophobicContact CE1-CE2 3.45Å; Y1095-Y1141 VanDerWaalsContact CE1-CE2 3.45Å; Y1095-Y1141 AromaticContact CE1-CZ 3.5Å; Y1095-Y1141 VanDerWaalsContact CE1-CZ 3.5Å; Y1095-E1178 HydrophobicContact CD2-CG 4.31Å; Y1095-E1178 HydrophobicContact CE1-CG 4.31Å; Y1095-E1178 HydrophobicContact CE2-CG 3.51Å; Y1095-E1178 WeakPolarHBondContact CE2-OE1 3.28Å; Y1095-E1178 VanDerWaalsContact CZ-CG 3.49Å; Y1095-E1178 WeakPolarHBondContact OH-CG 3.44Å; Y1095-E1178 PolarHBondContact OH-OE1 2.94Å
1096	Q	87.3	Confident	88.3	Confident	115 Å²	115	51.7 Å²	51.7	54%	0.537	26%	0.256	S	S	.	.	H	α-helix	trans	-58	-38.4	177.4	-70	178.1	-3.1	0	0	113.6	Q1092 T1098 K1100	Q1092-Q1096 WeakPolarHBondContact O-CG 3.44Å; Q1092-Q1096 PolarHBondContact O-N 3.09Å; Q1096-T1098 VanDerWaalsContact C-N 3.31Å; Q1096-K1100 WeakPolarHBondContact O-CB 3.47Å; Q1096-K1100 VanDerWaalsContact O-CG 3.3Å; Q1096-K1100 WeakPolarHBondContact O-CG 3.25Å; Q1096-K1100 PolarHBondContact O-N 3.02Å
1097	L	87.6	Confident	88.6	Confident	46 Å²	46	49.9 Å²	49.9	24%	0.241	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-33.4	174	-73.6	168.4	0	0	0	112.4	T1093 A1094 Y1095 K1100 G1101 K1102 D1105 A1106 R1109	T1093-L1097 WeakPolarHBondContact O-CG 3.45Å; T1093-L1097 PolarHBondContact O-N 3.28Å; A1094-L1097 PolarHBondContact O-N 3.13Å; Y1095-L1097 VanDerWaalsContact C-N 3.31Å; Y1095-L1097 PolarHBondContact O-N 3.23Å; L1097-K1100 CarbonylContact O-C 3.59Å; L1097-G1101 PolarHBondContact O-N 3Å; L1097-K1102 HydrophobicContact CD2-CB 4.13Å; L1097-K1102 HydrophobicContact CD2-CD 4.05Å; L1097-K1102 PolarHBondContact O-N 2.89Å; L1097-D1105 HydrophobicContact CD1-CB 4.17Å; L1097-D1105 HydrophobicContact CD2-CB 4.27Å; L1097-A1106 HydrophobicContact CB-CB 3.92Å; L1097-R1109 HydrophobicContact CD1-CB 4.41Å
1098	T	87.8	Confident	88.7	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-69.2	-46.5	175.8	-54.9	0	0	0	0	111.1	W920 A1094 Y1095 Q1096 K1100 G1101 F1110 Y1141 L1145	W920-T1098 HydrophobicContact CZ2-CG2 4.39Å; W920-T1098 PolarHBondContact NE1-O 2.81Å; A1094-T1098 PolarHBondContact O-N 3.25Å; A1094-T1098 PolarHBondContact O-OG1 2.88Å; Y1095-T1098 WeakPolarHBondContact O-CA 3.29Å; Y1095-T1098 VanDerWaalsContact O-CB 3.27Å; Y1095-T1098 WeakPolarHBondContact O-CB 3.47Å; Y1095-T1098 PolarHBondContact O-N 3.47Å; Q1096-T1098 VanDerWaalsContact C-N 3.31Å; T1098-K1100 VanDerWaalsContact C-N 3.31Å; T1098-K1100 PolarHBondContact O-N 3.46Å; T1098-G1101 PolarHBondContact O-N 3.45Å; T1098-F1110 WeakPolarHBondContact OG1-CE2 3.43Å; T1098-Y1141 HydrophobicContact CG2-CD1 4.33Å; T1098-Y1141 HydrophobicContact CG2-CE1 4.12Å; T1098-L1145 HydrophobicContact CG2-CD1 4.11Å; T1098-L1145 HydrophobicContact CG2-CD2 3.86Å
1099	T	83.8	Confident	88.8	Confident	35 Å²	35	54.6 Å²	54.6	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-45.2	175.2	-33.8	0	0	0	0	110.5	V915 W920 Y1095 G1101 H1181	V915-T1099 HydrophobicContact CG1-CG2 3.83Å; V915-T1099 HydrophobicContact CG2-CG2 3.89Å; W920-T1099 PolarHBondContact NE1-O 2.93Å; Y1095-T1099 PolarHBondContact O-N 3.07Å; Y1095-T1099 PolarHBondContact O-OG1 2.82Å; T1099-G1101 PolarHBondContact O-N 2.99Å; T1099-G1101 VanDerWaalsContact O-N 3.08Å; T1099-H1181 PolarHBondContact N-NE2 3.18Å; T1099-H1181 PolarHBondContact OG1-NE2 2.84Å
1100	K	82.3	Confident	89.1	Confident	133 Å²	133	51 Å²	51	58%	0.578	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	11.9	176.3	-67.2	174.8	179.4	178.2	0	114.7	A919 Q1096 L1097 T1098 K1102	A919-K1100 WeakPolarHBondContact CB-O 3.49Å; Q1096-K1100 WeakPolarHBondContact O-CB 3.47Å; Q1096-K1100 VanDerWaalsContact O-CG 3.3Å; Q1096-K1100 WeakPolarHBondContact O-CG 3.25Å; Q1096-K1100 PolarHBondContact O-N 3.02Å; L1097-K1100 CarbonylContact O-C 3.59Å; T1098-K1100 VanDerWaalsContact C-N 3.31Å; T1098-K1100 PolarHBondContact O-N 3.46Å; K1100-K1102 PolarHBondContact O-N 2.82Å; K1100-K1102 VanDerWaalsContact O-N 3.08Å
1101	G	80.8	Confident	89.4	Confident	17 Å²	17	50 Å²	50	18%	0.175	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	6.9	174.1	0	0	0	0	0	115.9	L1097 T1098 T1099 F1103	L1097-G1101 PolarHBondContact O-N 3Å; T1098-G1101 PolarHBondContact O-N 3.45Å; T1099-G1101 PolarHBondContact O-N 2.99Å; T1099-G1101 VanDerWaalsContact O-N 3.08Å; G1101-F1103 PolarHBondContact O-N 3.08Å
1102	K	87.5	Confident	89.5	Confident	117 Å²	117	53 Å²	53	51%	0.509	25%	0.254	S	S	.	.			trans	-81.7	61.5	-178.2	-67.2	-163.5	172.1	-164.6	0	111.1	L1097 K1100 Q1104 D1105 A1106	L1097-K1102 HydrophobicContact CD2-CB 4.13Å; L1097-K1102 HydrophobicContact CD2-CD 4.05Å; L1097-K1102 PolarHBondContact O-N 2.89Å; K1100-K1102 PolarHBondContact O-N 2.82Å; K1100-K1102 VanDerWaalsContact O-N 3.08Å; K1102-Q1104 PolarHBondContact O-N 2.87Å; K1102-D1105 HydrophobicContact CB-CB 4.21Å; K1102-D1105 PolarHBondContact O-N 3.47Å; K1102-D1105 VanDerWaalsContact O-N 3.12Å; K1102-A1106 PolarHBondContact O-N 2.88Å
1103	F	89.6	Confident	89.7	Confident	12 Å²	12	48.3 Å²	48.3	5%	0.053	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-40.1	-167.5	-59.4	-23.5	0	0	0	113.8	W920 G1101 A1106 I1107 L1145 E1148 M1149 K1152	W920-F1103 HydrophobicContact CD2-CE1 4.49Å; W920-F1103 HydrophobicContact CD2-CZ 4.05Å; W920-F1103 AromaticContact CE2-CE1 3.94Å; W920-F1103 AromaticContact CE2-CZ 3.96Å; W920-F1103 HydrophobicContact CE3-CZ 4.16Å; W920-F1103 HydrophobicContact CH2-CE1 4.21Å; W920-F1103 HydrophobicContact CH2-CZ 4.15Å; W920-F1103 AromaticContact CZ2-CE1 3.79Å; W920-F1103 HydrophobicContact CZ2-CE1 3.79Å; W920-F1103 HydrophobicContact CZ2-CZ 4.03Å; W920-F1103 HydrophobicContact CZ3-CZ 4.21Å; G1101-F1103 PolarHBondContact O-N 3.08Å; F1103-A1106 PolarHBondContact O-N 2.88Å; F1103-I1107 WeakPolarHBondContact O-CB 3.46Å; F1103-I1107 WeakPolarHBondContact O-CD1 3.38Å; F1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; F1103-I1107 PolarHBondContact O-N 2.98Å; F1103-L1145 HydrophobicContact CD1-CD2 3.67Å; F1103-L1145 HydrophobicContact CE1-CD2 3.93Å; F1103-L1145 HydrophobicContact CG-CD2 4.09Å; F1103-E1148 HydrophobicContact CD2-CG 4.16Å; F1103-E1148 HydrophobicContact CE2-CG 3.55Å; F1103-E1148 HydrophobicContact CZ-CG 4.25Å; F1103-M1149 HydrophobicContact CB-CG 3.88Å; F1103-M1149 HydrophobicContact CB-SD 3.88Å; F1103-M1149 HydrophobicContact CD2-CG 4.2Å; F1103-K1152 HydrophobicContact CE2-CD 4.44Å
1104	Q	90.8	Very high	89.9	Confident	89 Å²	89	46.1 Å²	46.1	42%	0.416	22%	0.218	S	C	.	.	H	α-helix	trans	-65.9	-40.4	178	-174.2	58.4	72.7	0	0	112.6	K1102 N1108 M1149	K1102-Q1104 PolarHBondContact O-N 2.87Å; Q1104-N1108 PolarHBondContact NE2-ND2 2.79Å; Q1104-N1108 PolarHBondContact NE2-OD1 2.98Å; Q1104-N1108 VanDerWaalsContact NE2-OD1 3.13Å; Q1104-N1108 WeakPolarHBondContact O-CB 3.23Å; Q1104-N1108 PolarHBondContact O-N 2.68Å; Q1104-N1108 PolarHBondContact O-ND2 2.79Å; Q1104-M1149 HydrophobicContact CB-CE 4.13Å; Q1104-M1149 HydrophobicContact CB-SD 4.19Å
1105	D	89.8	Confident	90.1	Very high	78 Å²	78	46.1 Å²	46.1	42%	0.417	22%	0.219	S	C	.	.	H	α-helix	trans	-68.1	-41.9	176.2	-63.7	-27.7	0	0	0	110.7	L1097 K1102 N1108 R1109	L1097-D1105 HydrophobicContact CD1-CB 4.17Å; L1097-D1105 HydrophobicContact CD2-CB 4.27Å; K1102-D1105 HydrophobicContact CB-CB 4.21Å; K1102-D1105 PolarHBondContact O-N 3.47Å; K1102-D1105 VanDerWaalsContact O-N 3.12Å; D1105-N1108 PolarHBondContact O-N 3.08Å; D1105-R1109 WeakPolarHBondContact O-CB 3.49Å; D1105-R1109 PolarHBondContact O-N 2.94Å
1106	A	91.2	Very high	90.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-50.6	174.9	0	0	0	0	0	111.5	L1097 K1102 F1103 N1108 R1109 F1110 L1145	L1097-A1106 HydrophobicContact CB-CB 3.92Å; K1102-A1106 PolarHBondContact O-N 2.88Å; F1103-A1106 PolarHBondContact O-N 2.88Å; A1106-N1108 VanDerWaalsContact C-N 3.29Å; A1106-N1108 PolarHBondContact O-N 3.12Å; A1106-R1109 CarbonylContact O-C 3.56Å; A1106-R1109 WeakPolarHBondContact O-CA 3.36Å; A1106-R1109 WeakPolarHBondContact O-CB 3.4Å; A1106-R1109 PolarHBondContact O-N 2.78Å; A1106-F1110 HydrophobicContact CB-CD2 4.37Å; A1106-F1110 HydrophobicContact CB-CE2 4.09Å; A1106-F1110 WeakPolarHBondContact O-CD2 3.38Å; A1106-F1110 PolarHBondContact O-N 2.71Å; A1106-L1145 HydrophobicContact CB-CD1 3.98Å
1107	I	92.8	Very high	90.6	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-54.7	-45.5	174.6	-74.1	158.8	0	0	0	110.8	F1103 R1109 R1111 I1142 L1145 M1149	F1103-I1107 WeakPolarHBondContact O-CB 3.46Å; F1103-I1107 WeakPolarHBondContact O-CD1 3.38Å; F1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; F1103-I1107 PolarHBondContact O-N 2.98Å; I1107-R1109 VanDerWaalsContact C-N 3.33Å; I1107-R1109 PolarHBondContact O-N 3.12Å; I1107-R1111 VanDerWaalsContact O-CB 3.26Å; I1107-R1111 WeakPolarHBondContact O-CB 3.16Å; I1107-R1111 PolarHBondContact O-N 2.72Å; I1107-I1142 HydrophobicContact CG2-CG2 4.35Å; I1107-L1145 HydrophobicContact CD1-CB 3.75Å; I1107-L1145 HydrophobicContact CG1-CB 3.68Å; I1107-L1145 HydrophobicContact CG1-CD1 4.29Å; I1107-M1149 HydrophobicContact CD1-SD 3.65Å
1108	N	92.6	Very high	90.8	Very high	70 Å²	70	37.7 Å²	37.7	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-63.8	-39.2	177.3	-71.4	-18.4	0	0	0	111.5	Q1104 D1105 A1106 R1111 M1112	Q1104-N1108 PolarHBondContact NE2-ND2 2.79Å; Q1104-N1108 PolarHBondContact NE2-OD1 2.98Å; Q1104-N1108 VanDerWaalsContact NE2-OD1 3.13Å; Q1104-N1108 WeakPolarHBondContact O-CB 3.23Å; Q1104-N1108 PolarHBondContact O-N 2.68Å; Q1104-N1108 PolarHBondContact O-ND2 2.79Å; D1105-N1108 PolarHBondContact O-N 3.08Å; A1106-N1108 VanDerWaalsContact C-N 3.29Å; A1106-N1108 PolarHBondContact O-N 3.12Å; N1108-R1111 PolarHBondContact O-N 3.13Å; N1108-R1111 PolarHBondContact OD1-NH1 2.88Å; N1108-M1112 WeakPolarHBondContact O-CG 3.35Å; N1108-M1112 PolarHBondContact O-N 3.07Å
1109	R	92.5	Very high	91.1	Very high	99 Å²	99	37.8 Å²	37.8	37%	0.374	18%	0.18	S	C	.	.	H	α-helix	trans	-67	-48.8	176.8	-164.7	64.9	163.1	175.4	-3.8	112.2	T1093 A1094 L1097 D1105 A1106 I1107 R1111 M1112 I1113	T1093-R1109 PolarHBondContact OG1-NE 3.34Å; T1093-R1109 PolarHBondContact OG1-NH2 2.92Å; T1093-R1109 VanDerWaalsContact OG1-NH2 3.12Å; A1094-R1109 HydrophobicContact CB-CB 4.01Å; A1094-R1109 HydrophobicContact CB-CG 3.77Å; L1097-R1109 HydrophobicContact CD1-CB 4.41Å; D1105-R1109 WeakPolarHBondContact O-CB 3.49Å; D1105-R1109 PolarHBondContact O-N 2.94Å; A1106-R1109 CarbonylContact O-C 3.56Å; A1106-R1109 WeakPolarHBondContact O-CA 3.36Å; A1106-R1109 WeakPolarHBondContact O-CB 3.4Å; A1106-R1109 PolarHBondContact O-N 2.78Å; I1107-R1109 VanDerWaalsContact C-N 3.33Å; I1107-R1109 PolarHBondContact O-N 3.12Å; R1109-R1111 VanDerWaalsContact C-N 3.32Å; R1109-R1111 PolarHBondContact O-N 2.95Å; R1109-M1112 PolarHBondContact O-N 3.41Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.25Å; R1109-I1113 PolarHBondContact O-N 2.8Å
1110	F	95.3	Very high	91.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-41.1	174.1	-69.4	-65.2	0	0	0	111.7	L1091 A1094 Y1095 T1098 A1106 I1113 L1114 Y1141 I1142 L1145	L1091-F1110 HydrophobicContact CD1-CD1 4.02Å; L1091-F1110 HydrophobicContact CD1-CE1 3.72Å; A1094-F1110 HydrophobicContact CB-CD1 3.76Å; A1094-F1110 HydrophobicContact CB-CD2 4.21Å; A1094-F1110 HydrophobicContact CB-CE1 3.52Å; A1094-F1110 HydrophobicContact CB-CE2 3.98Å; A1094-F1110 HydrophobicContact CB-CG 4.1Å; A1094-F1110 HydrophobicContact CB-CZ 3.63Å; Y1095-F1110 AromaticContact CD1-CE1 3.95Å; Y1095-F1110 HydrophobicContact CD1-CE1 3.95Å; Y1095-F1110 AromaticContact CD1-CZ 3.86Å; Y1095-F1110 HydrophobicContact CD1-CZ 3.86Å; Y1095-F1110 AromaticContact CE1-CE1 3.91Å; Y1095-F1110 HydrophobicContact CE1-CE1 3.91Å; Y1095-F1110 HydrophobicContact CE1-CZ 4.14Å; T1098-F1110 WeakPolarHBondContact OG1-CE2 3.43Å; A1106-F1110 HydrophobicContact CB-CD2 4.37Å; A1106-F1110 HydrophobicContact CB-CE2 4.09Å; A1106-F1110 WeakPolarHBondContact O-CD2 3.38Å; A1106-F1110 PolarHBondContact O-N 2.71Å; F1110-I1113 PolarHBondContact O-N 2.91Å; F1110-L1114 VanDerWaalsContact O-CB 3.32Å; F1110-L1114 WeakPolarHBondContact O-CB 3.36Å; F1110-L1114 PolarHBondContact O-N 2.71Å; F1110-Y1141 HydrophobicContact CE1-CD1 4.23Å; F1110-Y1141 HydrophobicContact CE1-CD2 4.15Å; F1110-Y1141 AromaticContact CE1-CG 3.85Å; F1110-Y1141 HydrophobicContact CE1-CG 3.85Å; F1110-Y1141 AromaticContact CE2-CD1 3.67Å; F1110-Y1141 HydrophobicContact CE2-CD1 3.67Å; F1110-Y1141 AromaticContact CE2-CG 3.82Å; F1110-Y1141 HydrophobicContact CE2-CG 3.82Å; F1110-Y1141 AromaticContact CZ-CD1 3.38Å; F1110-Y1141 HydrophobicContact CZ-CD1 3.38Å; F1110-Y1141 HydrophobicContact CZ-CD2 4.1Å; F1110-Y1141 AromaticContact CZ-CE1 3.99Å; F1110-Y1141 HydrophobicContact CZ-CE1 3.99Å; F1110-Y1141 AromaticContact CZ-CG 3.43Å; F1110-Y1141 HydrophobicContact CZ-CG 3.43Å; F1110-Y1141 VanDerWaalsContact CZ-CG 3.43Å; F1110-I1142 HydrophobicContact CB-CD1 3.88Å; F1110-I1142 HydrophobicContact CB-CG1 3.61Å; F1110-L1145 HydrophobicContact CD2-CD1 4.29Å; F1110-L1145 HydrophobicContact CE2-CD1 3.87Å
1111	R	95	Very high	91.8	Very high	51 Å²	51	31 Å²	31	19%	0.192	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-42.8	176.8	-171.2	179.2	-67.1	118.7	-4.3	111.4	I1107 N1108 R1109 I1113 L1114 L1115 I1142 R1285 V1286 T1287	I1107-R1111 VanDerWaalsContact O-CB 3.26Å; I1107-R1111 WeakPolarHBondContact O-CB 3.16Å; I1107-R1111 PolarHBondContact O-N 2.72Å; N1108-R1111 PolarHBondContact O-N 3.13Å; N1108-R1111 PolarHBondContact OD1-NH1 2.88Å; R1109-R1111 VanDerWaalsContact C-N 3.32Å; R1109-R1111 PolarHBondContact O-N 2.95Å; R1111-I1113 VanDerWaalsContact C-N 3.33Å; R1111-I1113 PolarHBondContact O-N 2.68Å; R1111-L1114 PolarHBondContact O-N 2.96Å; R1111-L1115 HydrophobicContact CG-CD1 4.1Å; R1111-L1115 HydrophobicContact CG-CG 4.33Å; R1111-L1115 WeakPolarHBondContact O-CB 3.22Å; R1111-L1115 VanDerWaalsContact O-CG 3.24Å; R1111-L1115 WeakPolarHBondContact O-CG 3.3Å; R1111-L1115 PolarHBondContact O-N 3.17Å; R1111-I1142 HydrophobicContact CB-CD1 4.11Å; R1111-R1285 PolarHBondContact NH2-O 2.94Å; R1111-V1286 PolarHBondContact NE-O 3.1Å; R1111-T1287 WeakPolarHBondContact CD-O 3.31Å
1112	M	92.9	Very high	92.1	Very high	79 Å²	79	30.4 Å²	30.4	39%	0.389	14%	0.142	S	C	.	.	H	α-helix	trans	-64.2	-36.1	175.4	-72.4	-58.8	-62.5	0	0	112.8	I1039 N1108 R1109 S1116	I1039-M1112 HydrophobicContact CD1-CE 3.83Å; I1039-M1112 HydrophobicContact CG1-CE 3.7Å; N1108-M1112 WeakPolarHBondContact O-CG 3.35Å; N1108-M1112 PolarHBondContact O-N 3.07Å; R1109-M1112 PolarHBondContact O-N 3.41Å; M1112-S1116 PolarHBondContact O-N 3.07Å; M1112-S1116 VanDerWaalsContact O-N 3.16Å; M1112-S1116 PolarHBondContact O-OG 2.97Å; M1112-S1116 VanDerWaalsContact O-OG 3.06Å
1113	I	94	Very high	91.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63.2	-52.7	171.5	-65.3	162.1	0	0	0	110	L1087 R1090 L1091 A1094 R1109 F1110 R1111 L1115 S1116 I1117 L1134	L1087-I1113 HydrophobicContact CB-CG2 4.29Å; R1090-I1113 HydrophobicContact CB-CD1 3.85Å; R1090-I1113 HydrophobicContact CB-CG1 3.83Å; L1091-I1113 HydrophobicContact CB-CD1 4.37Å; L1091-I1113 HydrophobicContact CD1-CD1 4.46Å; A1094-I1113 HydrophobicContact CB-CD1 4.41Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.25Å; R1109-I1113 PolarHBondContact O-N 2.8Å; F1110-I1113 PolarHBondContact O-N 2.91Å; R1111-I1113 VanDerWaalsContact C-N 3.33Å; R1111-I1113 PolarHBondContact O-N 2.68Å; I1113-L1115 VanDerWaalsContact C-N 3.31Å; I1113-L1115 PolarHBondContact O-N 2.86Å; I1113-S1116 WeakPolarHBondContact O-CB 3.43Å; I1113-S1116 PolarHBondContact O-N 2.91Å; I1113-I1117 HydrophobicContact CG2-CD1 4.49Å; I1113-I1117 WeakPolarHBondContact O-CG1 3.36Å; I1113-I1117 PolarHBondContact O-N 3.5Å; I1113-L1134 HydrophobicContact CG2-CD1 4.44Å; I1113-L1134 HydrophobicContact CG2-CD2 3.93Å; I1113-L1134 HydrophobicContact CG2-CG 4.16Å
1114	L	94.1	Very high	91.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.7	-42	-179.9	178.9	61.6	0	0	0	112.8	F1110 R1111 S1116 I1117 P1118 I1135 C1138 I1142 L1270 V1286 T1287	F1110-L1114 VanDerWaalsContact O-CB 3.32Å; F1110-L1114 WeakPolarHBondContact O-CB 3.36Å; F1110-L1114 PolarHBondContact O-N 2.71Å; R1111-L1114 PolarHBondContact O-N 2.96Å; L1114-S1116 VanDerWaalsContact C-N 3.35Å; L1114-I1117 PolarHBondContact O-N 3.41Å; L1114-P1118 WeakPolarHBondContact O-CD 3.44Å; L1114-I1135 HydrophobicContact CD1-CB 4.28Å; L1114-I1135 HydrophobicContact CD1-CG1 4.08Å; L1114-I1135 HydrophobicContact CD1-CG2 4.02Å; L1114-C1138 HydrophobicContact CB-CB 4.01Å; L1114-C1138 HydrophobicContact CD1-CB 4.37Å; L1114-I1142 HydrophobicContact CD2-CD1 3.97Å; L1114-L1270 HydrophobicContact CD1-CG 4.46Å; L1114-V1286 HydrophobicContact CD2-CG1 3.89Å; L1114-T1287 HydrophobicContact CD2-CG2 4.06Å
1115	L	94.1	Very high	91.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-70.2	-27.8	176.3	-67.5	176.5	0	0	0	113	P1035 Y1036 I1039 R1111 I1113 L1270 V1289	P1035-L1115 HydrophobicContact CB-CD1 3.81Å; Y1036-L1115 HydrophobicContact CE1-CB 4.3Å; Y1036-L1115 WeakPolarHBondContact CE1-O 3.24Å; Y1036-L1115 HydrophobicContact CE2-CD2 3.97Å; Y1036-L1115 PolarHBondContact OH-O 2.74Å; Y1036-L1115 VanDerWaalsContact OH-O 3.09Å; I1039-L1115 HydrophobicContact CD1-CB 3.81Å; R1111-L1115 HydrophobicContact CG-CD1 4.1Å; R1111-L1115 HydrophobicContact CG-CG 4.33Å; R1111-L1115 WeakPolarHBondContact O-CB 3.22Å; R1111-L1115 VanDerWaalsContact O-CG 3.24Å; R1111-L1115 WeakPolarHBondContact O-CG 3.3Å; R1111-L1115 PolarHBondContact O-N 3.17Å; I1113-L1115 VanDerWaalsContact C-N 3.31Å; I1113-L1115 PolarHBondContact O-N 2.86Å; L1115-L1270 HydrophobicContact CD2-CD2 4.49Å; L1115-V1289 HydrophobicContact CD1-CG1 4.34Å; L1115-V1289 HydrophobicContact CD2-CB 4.22Å; L1115-V1289 HydrophobicContact CD2-CG1 3.76Å; L1115-V1289 HydrophobicContact CD2-CG2 3.37Å
1116	S	93.7	Very high	91.2	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.021	16%	0.16	C	C	.	.	H	α-helix	trans	-74.4	-24.8	174.5	-66.8	0	0	0	0	113.9	M1112 I1113 L1114 L1119 L1120	M1112-S1116 PolarHBondContact O-N 3.07Å; M1112-S1116 VanDerWaalsContact O-N 3.16Å; M1112-S1116 PolarHBondContact O-OG 2.97Å; M1112-S1116 VanDerWaalsContact O-OG 3.06Å; I1113-S1116 WeakPolarHBondContact O-CB 3.43Å; I1113-S1116 PolarHBondContact O-N 2.91Å; L1114-S1116 VanDerWaalsContact C-N 3.35Å; S1116-L1119 WeakPolarHBondContact O-CA 3.13Å; S1116-L1119 WeakPolarHBondContact O-CB 3.34Å; S1116-L1119 PolarHBondContact O-N 2.94Å; S1116-L1120 PolarHBondContact O-N 2.92Å
1117	I	94.2	Very high	91	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-60.9	-44	-174.6	-65.6	165.6	0	0	0	113.2	L1087 I1113 L1114 L1119 L1120 A1131 L1134 I1135 L1299 I1301	L1087-I1117 HydrophobicContact CD1-CG1 3.72Å; I1113-I1117 HydrophobicContact CG2-CD1 4.49Å; I1113-I1117 WeakPolarHBondContact O-CG1 3.36Å; I1113-I1117 PolarHBondContact O-N 3.5Å; L1114-I1117 PolarHBondContact O-N 3.41Å; I1117-L1119 PolarHBondContact O-N 3.44Å; I1117-L1120 HydrophobicContact CG2-CD1 4.28Å; I1117-L1120 WeakPolarHBondContact O-CB 3.37Å; I1117-L1120 PolarHBondContact O-N 2.84Å; I1117-L1120 VanDerWaalsContact O-N 3.12Å; I1117-A1131 HydrophobicContact CG2-CB 4.11Å; I1117-L1134 HydrophobicContact CD1-CB 4Å; I1117-L1134 HydrophobicContact CD1-CD2 3.86Å; I1117-L1134 HydrophobicContact CD1-CG 3.79Å; I1117-L1134 HydrophobicContact CG1-CD2 4.19Å; I1117-I1135 HydrophobicContact CB-CG1 4.27Å; I1117-I1135 HydrophobicContact CD1-CG1 3.63Å; I1117-I1135 HydrophobicContact CG2-CD1 3.82Å; I1117-I1135 HydrophobicContact CG2-CG1 3.84Å; I1117-L1299 HydrophobicContact CG2-CD2 4.42Å; I1117-I1301 WeakPolarHBondContact O-CG2 3.31Å
1118	P	93.1	Very high	90.8	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.013	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-60.4	-7.2	172.4	-27.7	37.4	0	0	0	116.1	L1024 V1028 L1114 L1270 L1299	L1024-P1118 HydrophobicContact CD2-CB 3.77Å; V1028-P1118 HydrophobicContact CG2-CB 4.39Å; V1028-P1118 HydrophobicContact CG2-CG 4.4Å; L1114-P1118 WeakPolarHBondContact O-CD 3.44Å; P1118-L1270 HydrophobicContact CG-CD1 3.44Å; P1118-L1270 VanDerWaalsContact CG-CD1 3.44Å; P1118-L1270 HydrophobicContact CG-CD2 4.21Å; P1118-L1270 HydrophobicContact CG-CG 4.5Å; P1118-L1299 HydrophobicContact CB-CD1 4.29Å; P1118-L1299 HydrophobicContact CG-CD1 4.21Å
1119	L	92.9	Very high	90.6	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-113.4	8.2	-178.8	-52.2	-178.6	0	0	0	112.5	P1008 A1009 I1012 L1024 Y1036 I1039 F1040 L1043 S1116 I1117	P1008-L1119 HydrophobicContact CB-CD2 3.89Å; A1009-L1119 WeakPolarHBondContact CB-O 3.48Å; I1012-L1119 HydrophobicContact CD1-CD1 4.1Å; I1012-L1119 HydrophobicContact CD1-CD2 3.59Å; I1012-L1119 HydrophobicContact CD1-CG 4.47Å; L1024-L1119 HydrophobicContact CD1-CD2 4.21Å; L1024-L1119 HydrophobicContact CD2-CD2 4.17Å; Y1036-L1119 HydrophobicContact CD1-CD1 4.04Å; Y1036-L1119 HydrophobicContact CE1-CD1 3.85Å; Y1036-L1119 HydrophobicContact CE1-CG 4.31Å; I1039-L1119 HydrophobicContact CB-CD1 4.46Å; I1039-L1119 HydrophobicContact CG2-CD1 3.72Å; F1040-L1119 HydrophobicContact CD1-CD1 4.37Å; F1040-L1119 HydrophobicContact CE1-CD1 4.24Å; L1043-L1119 HydrophobicContact CD1-CB 4.1Å; L1043-L1119 HydrophobicContact CD1-CD1 3.64Å; L1043-L1119 HydrophobicContact CD1-CG 4.4Å; S1116-L1119 WeakPolarHBondContact O-CA 3.13Å; S1116-L1119 WeakPolarHBondContact O-CB 3.34Å; S1116-L1119 PolarHBondContact O-N 2.94Å; I1117-L1119 PolarHBondContact O-N 3.44Å
1120	L	91.1	Very high	90.5	Very high	3 Å²	3	33 Å²	33	2%	0.016	19%	0.185	C	C	.	.			trans	-68.2	152.8	165.1	-69.7	174.8	0	0	0	110.8	I1082 L1084 L1087 S1116 I1117 V1122 A1131 I1301	I1082-L1120 HydrophobicContact CB-CD2 4.46Å; I1082-L1120 HydrophobicContact CG2-CD2 3.83Å; L1084-L1120 HydrophobicContact CD1-CD1 4.19Å; L1087-L1120 HydrophobicContact CD1-CD1 4.03Å; L1087-L1120 HydrophobicContact CD1-CD2 3.96Å; L1087-L1120 HydrophobicContact CD1-CG 4.11Å; L1087-L1120 HydrophobicContact CG-CD2 4.4Å; S1116-L1120 PolarHBondContact O-N 2.92Å; I1117-L1120 HydrophobicContact CG2-CD1 4.28Å; I1117-L1120 WeakPolarHBondContact O-CB 3.37Å; I1117-L1120 PolarHBondContact O-N 2.84Å; I1117-L1120 VanDerWaalsContact O-N 3.12Å; L1120-V1122 HydrophobicContact CB-CG1 4.35Å; L1120-A1131 HydrophobicContact CD1-CB 4.01Å; L1120-I1301 HydrophobicContact CB-CB 4.5Å; L1120-I1301 HydrophobicContact CB-CD1 4.48Å; L1120-I1301 HydrophobicContact CB-CG2 4.48Å
1121	V	89.8	Confident	90.2	Very high	22 Å²	22	33 Å²	33	13%	0.133	19%	0.185	C	C	.	.			trans	-121	116.9	162.9	-177.9	0	0	0	0	107	L1007 A1009 P1080 I1301	L1007-V1121 HydrophobicContact CD1-CB 4.43Å; L1007-V1121 HydrophobicContact CD1-CG1 3.83Å; L1007-V1121 HydrophobicContact CD1-CG2 3.99Å; A1009-V1121 HydrophobicContact CB-CG2 3.99Å; P1080-V1121 HydrophobicContact CB-CB 4.42Å; V1121-I1301 WeakPolarHBondContact CA-O 3.44Å
1122	V	87.8	Confident	90	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.024	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-118.2	148.9	-178.7	-61	0	0	0	0	110.7	L1120 E1127 E1128 I1301 R1302 S1303	L1120-V1122 HydrophobicContact CB-CG1 4.35Å; V1122-E1127 WeakPolarHBondContact CA-OE2 3Å; V1122-E1127 HydrophobicContact CB-CB 3.68Å; V1122-E1127 HydrophobicContact CB-CG 4.5Å; V1122-E1127 VanDerWaalsContact CB-OE2 3.3Å; V1122-E1127 WeakPolarHBondContact CB-OE2 3.38Å; V1122-E1127 HydrophobicContact CG1-CB 3.67Å; V1122-E1127 HydrophobicContact CG2-CB 4.45Å; V1122-E1128 HydrophobicContact CG2-CB 4.12Å; V1122-I1301 HydrophobicContact CG1-CD1 4.23Å; V1122-I1301 HydrophobicContact CG2-CB 4.32Å; V1122-I1301 HydrophobicContact CG2-CD1 3.88Å; V1122-I1301 HydrophobicContact CG2-CG1 3.79Å; V1122-I1301 PolarHBondContact N-O 3.14Å; V1122-R1302 HydrophobicContact CG2-CB 4.08Å; V1122-R1302 HydrophobicContact CG2-CG 4.43Å; V1122-R1302 VanDerWaalsContact O-CA 3.3Å; V1122-R1302 WeakPolarHBondContact O-CA 3.27Å; V1122-S1303 PolarHBondContact O-N 3.37Å
1123	D	83.3	Confident	89.9	Confident	96 Å²	96	35.6 Å²	35.6	51%	0.513	20%	0.201	S	C	.	.	S	Bend	trans	-105.6	-39.5	180	-76.9	-33.2	0	0	0	111.4	E1127 R1302 S1303	D1123-E1127 PolarHBondContact N-OE2 3.04Å; D1123-R1302 PolarHBondContact O-NE 3.38Å; D1123-R1302 PolarHBondContact O-NH2 2.95Å; D1123-R1302 VanDerWaalsContact O-NH2 3.16Å; D1123-S1303 VanDerWaalsContact OD1-CB 3.24Å; D1123-S1303 WeakPolarHBondContact OD1-CB 3.49Å; D1123-S1303 PolarHBondContact OD1-OG 3.43Å
1124	S	83.9	Confident	89.9	Confident	34 Å²	34	36 Å²	36	24%	0.238	20%	0.203	C	C	.	.	S	Bend	trans	-88.7	154.4	178.5	83.5	0	0	0	0	113.4	S1126 E1127 E1128	S1124-S1126 PolarHBondContact O-N 2.84Å; S1124-S1126 PolarHBondContact OG-N 2.58Å; S1124-E1127 WeakPolarHBondContact CB-OE1 3.35Å; S1124-E1127 PolarHBondContact N-OE1 3.19Å; S1124-E1127 PolarHBondContact N-OE2 3.35Å; S1124-E1127 WeakPolarHBondContact OG-CG 3.44Å; S1124-E1127 PolarHBondContact OG-N 2.82Å; S1124-E1127 VanDerWaalsContact OG-N 3.15Å; S1124-E1127 PolarHBondContact OG-OE1 3.48Å; S1124-E1128 PolarHBondContact O-N 2.92Å
1125	P	84.7	Confident	89.8	Confident	86 Å²	86	36.6 Å²	36.6	56%	0.558	21%	0.206	S	C	*	.	H	α-helix	trans	-73.5	-13.3	169.7	31.6	-35	0	0	0	113	S1129	P1125-S1129 PolarHBondContact O-N 2.87Å; P1125-S1129 VanDerWaalsContact O-N 3.13Å
1126	S	86	Confident	89.7	Confident	67 Å²	67	39.8 Å²	39.8	47%	0.469	22%	0.223	S	C	.	.	H	α-helix	trans	-69.8	-53	173.4	-161.2	0	0	0	0	109.9	S1124 E1128 S1129 E1130	S1124-S1126 PolarHBondContact O-N 2.84Å; S1124-S1126 PolarHBondContact OG-N 2.58Å; S1126-E1128 PolarHBondContact O-N 3.45Å; S1126-S1129 CarbonylContact O-C 3.23Å; S1126-S1129 WeakPolarHBondContact O-CA 3.46Å; S1126-S1129 WeakPolarHBondContact O-CB 3.5Å; S1126-S1129 PolarHBondContact O-N 2.94Å; S1126-E1130 WeakPolarHBondContact CB-OE1 3.37Å; S1126-E1130 WeakPolarHBondContact O-CG 3.35Å; S1126-E1130 PolarHBondContact O-N 3.12Å; S1126-E1130 PolarHBondContact OG-OE1 3.42Å
1127	E	87.7	Confident	89.6	Confident	62 Å²	62	41.6 Å²	41.6	29%	0.29	23%	0.232	S	C	.	.	H	α-helix	trans	-54.1	-38.9	173.6	-69	145.8	-121.5	0	0	112.1	L1084 V1122 D1123 S1124 S1129 E1130 A1131	L1084-E1127 HydrophobicContact CD2-CB 4.32Å; L1084-E1127 HydrophobicContact CD2-CG 4.43Å; V1122-E1127 WeakPolarHBondContact CA-OE2 3Å; V1122-E1127 HydrophobicContact CB-CB 3.68Å; V1122-E1127 HydrophobicContact CB-CG 4.5Å; V1122-E1127 VanDerWaalsContact CB-OE2 3.3Å; V1122-E1127 WeakPolarHBondContact CB-OE2 3.38Å; V1122-E1127 HydrophobicContact CG1-CB 3.67Å; V1122-E1127 HydrophobicContact CG2-CB 4.45Å; D1123-E1127 PolarHBondContact N-OE2 3.04Å; S1124-E1127 WeakPolarHBondContact CB-OE1 3.35Å; S1124-E1127 PolarHBondContact N-OE1 3.19Å; S1124-E1127 PolarHBondContact N-OE2 3.35Å; S1124-E1127 WeakPolarHBondContact OG-CG 3.44Å; S1124-E1127 PolarHBondContact OG-N 2.82Å; S1124-E1127 VanDerWaalsContact OG-N 3.15Å; S1124-E1127 PolarHBondContact OG-OE1 3.48Å; E1127-S1129 VanDerWaalsContact C-N 3.35Å; E1127-E1130 PolarHBondContact O-N 3.26Å; E1127-A1131 VanDerWaalsContact O-CB 3.23Å; E1127-A1131 WeakPolarHBondContact O-CB 3.38Å; E1127-A1131 PolarHBondContact O-N 3.2Å
1128	E	88.3	Confident	89.6	Confident	13 Å²	13	41.6 Å²	41.6	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-35	175.7	-163.3	-176.8	152.5	0	0	112.2	V1122 S1124 S1126 R1132 I1301 R1302 R1305	V1122-E1128 HydrophobicContact CG2-CB 4.12Å; S1124-E1128 PolarHBondContact O-N 2.92Å; S1126-E1128 PolarHBondContact O-N 3.45Å; E1128-R1132 WeakPolarHBondContact O-CD 3.26Å; E1128-R1132 WeakPolarHBondContact O-CG 3.44Å; E1128-R1132 PolarHBondContact O-N 2.87Å; E1128-R1132 IonicContact OE1-CZ 3.76Å; E1128-R1132 IonicContact OE1-NE 3.58Å; E1128-R1132 IonicContact OE1-NH2 3.54Å; E1128-R1132 PolarHBondContact OE1-NH2 2.9Å; E1128-I1301 HydrophobicContact CG-CD1 4.2Å; E1128-I1301 HydrophobicContact CG-CG1 4.05Å; E1128-R1302 WeakPolarHBondContact OE2-CB 3.4Å; E1128-R1305 IonicContact OE1-CZ 3.04Å; E1128-R1305 IonicContact OE1-NH2 3.3Å; E1128-R1305 PolarHBondContact OE1-NH2 3.34Å; E1128-R1305 IonicContact OE2-NE 2.79Å; E1128-R1305 IonicContact OE2-NH2 3.14Å
1129	S	88.5	Confident	89.6	Confident	77 Å²	77	42.5 Å²	42.5	54%	0.538	24%	0.235	S	C	.	.	H	α-helix	trans	-72.3	-42.6	174.7	-169.1	0	0	0	0	112	P1125 S1126 E1127 R1132 S1133	P1125-S1129 PolarHBondContact O-N 2.87Å; P1125-S1129 VanDerWaalsContact O-N 3.13Å; S1126-S1129 CarbonylContact O-C 3.23Å; S1126-S1129 WeakPolarHBondContact O-CA 3.46Å; S1126-S1129 WeakPolarHBondContact O-CB 3.5Å; S1126-S1129 PolarHBondContact O-N 2.94Å; E1127-S1129 VanDerWaalsContact C-N 3.35Å; S1129-R1132 WeakPolarHBondContact O-CB 3.28Å; S1129-R1132 PolarHBondContact O-N 3.42Å; S1129-S1133 PolarHBondContact O-N 3.35Å
1130	E	89.3	Confident	89.7	Confident	88 Å²	88	43.7 Å²	43.7	41%	0.411	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-42.8	176.8	-69.1	157.9	-129.7	0	0	111.3	L1084 S1126 E1127 R1132 S1133 L1134	L1084-E1130 HydrophobicContact CD2-CB 3.81Å; L1084-E1130 WeakPolarHBondContact CD2-OE2 3.12Å; S1126-E1130 WeakPolarHBondContact CB-OE1 3.37Å; S1126-E1130 WeakPolarHBondContact O-CG 3.35Å; S1126-E1130 PolarHBondContact O-N 3.12Å; S1126-E1130 PolarHBondContact OG-OE1 3.42Å; E1127-E1130 PolarHBondContact O-N 3.26Å; E1130-R1132 VanDerWaalsContact C-N 3.32Å; E1130-R1132 PolarHBondContact O-N 2.9Å; E1130-S1133 WeakPolarHBondContact O-CA 3.34Å; E1130-S1133 VanDerWaalsContact O-CB 3.28Å; E1130-S1133 WeakPolarHBondContact O-CB 3.3Å; E1130-S1133 PolarHBondContact O-N 3.4Å; E1130-L1134 PolarHBondContact O-N 2.94Å
1131	A	90.5	Very high	89.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-38.2	172.6	0	0	0	0	0	112.5	L1084 I1117 L1120 E1127 L1134 I1135 I1301	L1084-A1131 HydrophobicContact CD1-CB 4.39Å; I1117-A1131 HydrophobicContact CG2-CB 4.11Å; L1120-A1131 HydrophobicContact CD1-CB 4.01Å; E1127-A1131 VanDerWaalsContact O-CB 3.23Å; E1127-A1131 WeakPolarHBondContact O-CB 3.38Å; E1127-A1131 PolarHBondContact O-N 3.2Å; A1131-L1134 PolarHBondContact O-N 2.72Å; A1131-I1135 WeakPolarHBondContact O-CG1 3.43Å; A1131-I1135 PolarHBondContact O-N 3.02Å; A1131-I1301 HydrophobicContact CB-CD1 3.7Å
1132	R	91	Very high	90.1	Very high	121 Å²	121	42.6 Å²	42.6	46%	0.457	23%	0.234	S	C	.	.	H	α-helix	trans	-68.7	-33.8	172.1	-68.7	166.5	-173.2	-152.8	6.5	112.2	E1128 S1129 E1130 I1135 N1136 L1299	E1128-R1132 WeakPolarHBondContact O-CD 3.26Å; E1128-R1132 WeakPolarHBondContact O-CG 3.44Å; E1128-R1132 PolarHBondContact O-N 2.87Å; E1128-R1132 IonicContact OE1-CZ 3.76Å; E1128-R1132 IonicContact OE1-NE 3.58Å; E1128-R1132 IonicContact OE1-NH2 3.54Å; E1128-R1132 PolarHBondContact OE1-NH2 2.9Å; S1129-R1132 WeakPolarHBondContact O-CB 3.28Å; S1129-R1132 PolarHBondContact O-N 3.42Å; E1130-R1132 VanDerWaalsContact C-N 3.32Å; E1130-R1132 PolarHBondContact O-N 2.9Å; R1132-I1135 PolarHBondContact O-N 3.31Å; R1132-N1136 PolarHBondContact O-N 3.02Å; R1132-N1136 PolarHBondContact O-ND2 3.21Å; R1132-L1299 HydrophobicContact CG-CD2 4.24Å
1133	S	90.4	Very high	90.3	Very high	64 Å²	64	42.9 Å²	42.9	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-45.2	171.6	-162.3	0	0	0	0	110.8	S1129 E1130 I1135 N1136 I1137	S1129-S1133 PolarHBondContact O-N 3.35Å; E1130-S1133 WeakPolarHBondContact O-CA 3.34Å; E1130-S1133 VanDerWaalsContact O-CB 3.28Å; E1130-S1133 WeakPolarHBondContact O-CB 3.3Å; E1130-S1133 PolarHBondContact O-N 3.4Å; S1133-I1135 VanDerWaalsContact C-N 3.34Å; S1133-I1135 PolarHBondContact O-N 3.18Å; S1133-N1136 WeakPolarHBondContact O-CA 3.38Å; S1133-N1136 WeakPolarHBondContact O-CB 3.43Å; S1133-N1136 PolarHBondContact O-N 3.2Å; S1133-I1137 PolarHBondContact O-N 2.7Å
1134	L	92.5	Very high	90.6	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-36.4	177.4	-169.7	64.2	0	0	0	113	L1084 L1087 L1091 I1113 I1117 E1130 A1131 N1136 I1137 C1138	L1084-L1134 HydrophobicContact CD1-CD2 4.33Å; L1087-L1134 HydrophobicContact CB-CD2 3.76Å; L1087-L1134 HydrophobicContact CD1-CD2 4.25Å; L1091-L1134 HydrophobicContact CB-CD1 4.43Å; L1091-L1134 HydrophobicContact CD1-CD1 3.97Å; L1091-L1134 HydrophobicContact CD2-CD1 3.76Å; L1091-L1134 HydrophobicContact CG-CD1 4.28Å; I1113-L1134 HydrophobicContact CG2-CD1 4.44Å; I1113-L1134 HydrophobicContact CG2-CD2 3.93Å; I1113-L1134 HydrophobicContact CG2-CG 4.16Å; I1117-L1134 HydrophobicContact CD1-CB 4Å; I1117-L1134 HydrophobicContact CD1-CD2 3.86Å; I1117-L1134 HydrophobicContact CD1-CG 3.79Å; I1117-L1134 HydrophobicContact CG1-CD2 4.19Å; E1130-L1134 PolarHBondContact O-N 2.94Å; A1131-L1134 PolarHBondContact O-N 2.72Å; L1134-N1136 VanDerWaalsContact C-N 3.34Å; L1134-N1136 PolarHBondContact O-N 3.39Å; L1134-I1137 PolarHBondContact O-N 3.41Å; L1134-C1138 WeakPolarHBondContact O-CB 3.49Å; L1134-C1138 PolarHBondContact O-N 3.36Å; L1134-C1138 PolarHBondContact O-SG 3.04Å; L1134-C1138 VanDerWaalsContact O-SG 3.41Å
1135	I	93.2	Very high	91	Very high	14 Å²	14	36.7 Å²	36.7	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-46.3	169.4	-72.1	174.9	0	0	0	111.1	L1114 I1117 A1131 R1132 S1133 C1138 R1139 L1270 L1299	L1114-I1135 HydrophobicContact CD1-CB 4.28Å; L1114-I1135 HydrophobicContact CD1-CG1 4.08Å; L1114-I1135 HydrophobicContact CD1-CG2 4.02Å; I1117-I1135 HydrophobicContact CB-CG1 4.27Å; I1117-I1135 HydrophobicContact CD1-CG1 3.63Å; I1117-I1135 HydrophobicContact CG2-CD1 3.82Å; I1117-I1135 HydrophobicContact CG2-CG1 3.84Å; A1131-I1135 WeakPolarHBondContact O-CG1 3.43Å; A1131-I1135 PolarHBondContact O-N 3.02Å; R1132-I1135 PolarHBondContact O-N 3.31Å; S1133-I1135 VanDerWaalsContact C-N 3.34Å; S1133-I1135 PolarHBondContact O-N 3.18Å; I1135-C1138 PolarHBondContact O-N 2.73Å; I1135-R1139 PolarHBondContact O-N 2.7Å; I1135-L1270 HydrophobicContact CD1-CD1 4.39Å; I1135-L1270 WeakPolarHBondContact CG2-O 3.5Å; I1135-L1299 HydrophobicContact CD1-CD2 3.89Å
1136	N	91.3	Very high	91.4	Very high	68 Å²	68	33.7 Å²	33.7	36%	0.364	18%	0.181	S	C	.	.	H	α-helix	trans	-62.4	-50.1	178.7	-73.9	-76.8	0	0	0	110.7	R1132 S1133 L1134 C1138 R1139 E1140	R1132-N1136 PolarHBondContact O-N 3.02Å; R1132-N1136 PolarHBondContact O-ND2 3.21Å; S1133-N1136 WeakPolarHBondContact O-CA 3.38Å; S1133-N1136 WeakPolarHBondContact O-CB 3.43Å; S1133-N1136 PolarHBondContact O-N 3.2Å; L1134-N1136 VanDerWaalsContact C-N 3.34Å; L1134-N1136 PolarHBondContact O-N 3.39Å; N1136-C1138 VanDerWaalsContact C-N 3.35Å; N1136-C1138 PolarHBondContact O-N 2.92Å; N1136-R1139 WeakPolarHBondContact O-CB 3.29Å; N1136-R1139 PolarHBondContact O-N 3.02Å; N1136-R1139 VanDerWaalsContact O-N 3.09Å; N1136-R1139 VanDerWaalsContact OD1-CZ 3.29Å; N1136-R1139 PolarHBondContact OD1-NH1 2.85Å; N1136-R1139 PolarHBondContact OD1-NH2 3.25Å; N1136-E1140 VanDerWaalsContact O-CG 3.32Å; N1136-E1140 WeakPolarHBondContact O-CG 3.36Å; N1136-E1140 PolarHBondContact O-N 3.49Å
1137	I	92.5	Very high	91.6	Very high	40 Å²	40	30.5 Å²	30.5	21%	0.205	16%	0.159	C	C	.	.	H	α-helix	trans	-53.3	-52.1	177.2	-64.8	168.2	0	0	0	110.4	L1091 Y1095 S1133 L1134 R1139 E1140 Y1141	L1091-I1137 HydrophobicContact CD1-CG2 3.95Å; L1091-I1137 HydrophobicContact CD2-CG2 4.39Å; Y1095-I1137 HydrophobicContact CE1-CG2 4.24Å; Y1095-I1137 WeakPolarHBondContact OH-CG2 3.21Å; S1133-I1137 PolarHBondContact O-N 2.7Å; L1134-I1137 PolarHBondContact O-N 3.41Å; I1137-R1139 VanDerWaalsContact C-N 3.32Å; I1137-R1139 PolarHBondContact O-N 2.88Å; I1137-E1140 PolarHBondContact O-N 3.01Å; I1137-Y1141 HydrophobicContact CG2-CD2 3.89Å; I1137-Y1141 HydrophobicContact CG2-CE2 4.03Å; I1137-Y1141 WeakPolarHBondContact O-CD2 3.36Å; I1137-Y1141 PolarHBondContact O-N 3.28Å; I1137-Y1141 VanDerWaalsContact O-N 3.1Å
1138	C	93.9	Very high	91.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-35.6	179.3	-71.8	0	0	0	0	113	L1114 L1134 I1135 N1136 I1142	L1114-C1138 HydrophobicContact CB-CB 4.01Å; L1114-C1138 HydrophobicContact CD1-CB 4.37Å; L1134-C1138 WeakPolarHBondContact O-CB 3.49Å; L1134-C1138 PolarHBondContact O-N 3.36Å; L1134-C1138 PolarHBondContact O-SG 3.04Å; L1134-C1138 VanDerWaalsContact O-SG 3.41Å; I1135-C1138 PolarHBondContact O-N 2.73Å; N1136-C1138 VanDerWaalsContact C-N 3.35Å; N1136-C1138 PolarHBondContact O-N 2.92Å; C1138-I1142 WeakPolarHBondContact O-CB 3.41Å; C1138-I1142 VanDerWaalsContact O-CD1 3.28Å; C1138-I1142 WeakPolarHBondContact O-CD1 3.46Å; C1138-I1142 WeakPolarHBondContact O-CG1 3.21Å; C1138-I1142 PolarHBondContact O-N 2.93Å
1139	R	94	Very high	91.7	Very high	22 Å²	22	30.1 Å²	30.1	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-55.6	172	177	-166.8	58.6	-111.7	1.6	110.9	I1135 N1136 I1137 Y1141 I1142 V1143 S1271 A1273	I1135-R1139 PolarHBondContact O-N 2.7Å; N1136-R1139 WeakPolarHBondContact O-CB 3.29Å; N1136-R1139 PolarHBondContact O-N 3.02Å; N1136-R1139 VanDerWaalsContact O-N 3.09Å; N1136-R1139 VanDerWaalsContact OD1-CZ 3.29Å; N1136-R1139 PolarHBondContact OD1-NH1 2.85Å; N1136-R1139 PolarHBondContact OD1-NH2 3.25Å; I1137-R1139 VanDerWaalsContact C-N 3.32Å; I1137-R1139 PolarHBondContact O-N 2.88Å; R1139-Y1141 VanDerWaalsContact C-N 3.31Å; R1139-Y1141 PolarHBondContact O-N 2.76Å; R1139-I1142 PolarHBondContact O-N 2.62Å; R1139-V1143 HydrophobicContact CG-CG2 4.05Å; R1139-V1143 WeakPolarHBondContact O-CB 3.21Å; R1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; R1139-V1143 PolarHBondContact O-N 3.36Å; R1139-S1271 WeakPolarHBondContact CD-O 3.14Å; R1139-S1271 PolarHBondContact NH1-O 2.74Å; R1139-A1273 HydrophobicContact CG-CB 4.08Å
1140	E	93.1	Very high	91.6	Very high	28 Å²	28	28.7 Å²	28.7	13%	0.131	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-44.5	-172	-61.2	-65.8	132.4	0	0	111.1	N1136 I1137 G1144 C1175 R1176	N1136-E1140 VanDerWaalsContact O-CG 3.32Å; N1136-E1140 WeakPolarHBondContact O-CG 3.36Å; N1136-E1140 PolarHBondContact O-N 3.49Å; I1137-E1140 PolarHBondContact O-N 3.01Å; E1140-G1144 PolarHBondContact O-N 2.79Å; E1140-C1175 WeakPolarHBondContact OE2-CA 3.46Å; E1140-R1176 HydrophobicContact CG-CB 4.02Å; E1140-R1176 PolarHBondContact OE2-N 3.17Å
1141	Y	94.5	Very high	91.6	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-44.9	175.1	-85.4	-88.4	0	0	0	113.2	Y1095 T1098 F1110 I1137 R1139 L1145 L1177 E1178 H1181	Y1095-Y1141 HydrophobicContact CD1-CE1 4.28Å; Y1095-Y1141 HydrophobicContact CD1-CE2 4.3Å; Y1095-Y1141 AromaticContact CD1-CZ 3.92Å; Y1095-Y1141 HydrophobicContact CE1-CD2 4.13Å; Y1095-Y1141 HydrophobicContact CE1-CE1 4.23Å; Y1095-Y1141 AromaticContact CE1-CE2 3.45Å; Y1095-Y1141 HydrophobicContact CE1-CE2 3.45Å; Y1095-Y1141 VanDerWaalsContact CE1-CE2 3.45Å; Y1095-Y1141 AromaticContact CE1-CZ 3.5Å; Y1095-Y1141 VanDerWaalsContact CE1-CZ 3.5Å; T1098-Y1141 HydrophobicContact CG2-CD1 4.33Å; T1098-Y1141 HydrophobicContact CG2-CE1 4.12Å; F1110-Y1141 HydrophobicContact CE1-CD1 4.23Å; F1110-Y1141 HydrophobicContact CE1-CD2 4.15Å; F1110-Y1141 AromaticContact CE1-CG 3.85Å; F1110-Y1141 HydrophobicContact CE1-CG 3.85Å; F1110-Y1141 AromaticContact CE2-CD1 3.67Å; F1110-Y1141 HydrophobicContact CE2-CD1 3.67Å; F1110-Y1141 AromaticContact CE2-CG 3.82Å; F1110-Y1141 HydrophobicContact CE2-CG 3.82Å; F1110-Y1141 AromaticContact CZ-CD1 3.38Å; F1110-Y1141 HydrophobicContact CZ-CD1 3.38Å; F1110-Y1141 HydrophobicContact CZ-CD2 4.1Å; F1110-Y1141 AromaticContact CZ-CE1 3.99Å; F1110-Y1141 HydrophobicContact CZ-CE1 3.99Å; F1110-Y1141 AromaticContact CZ-CG 3.43Å; F1110-Y1141 HydrophobicContact CZ-CG 3.43Å; F1110-Y1141 VanDerWaalsContact CZ-CG 3.43Å; I1137-Y1141 HydrophobicContact CG2-CD2 3.89Å; I1137-Y1141 HydrophobicContact CG2-CE2 4.03Å; I1137-Y1141 WeakPolarHBondContact O-CD2 3.36Å; I1137-Y1141 PolarHBondContact O-N 3.28Å; I1137-Y1141 VanDerWaalsContact O-N 3.1Å; R1139-Y1141 VanDerWaalsContact C-N 3.31Å; R1139-Y1141 PolarHBondContact O-N 2.76Å; Y1141-L1145 HydrophobicContact CD1-CD1 4.39Å; Y1141-L1145 VanDerWaalsContact O-CB 3.26Å; Y1141-L1145 WeakPolarHBondContact O-CB 3.26Å; Y1141-L1145 WeakPolarHBondContact O-CG 3.21Å; Y1141-L1145 PolarHBondContact O-N 2.93Å; Y1141-L1177 HydrophobicContact CD1-CD2 3.86Å; Y1141-L1177 HydrophobicContact CD2-CD2 4.12Å; Y1141-L1177 HydrophobicContact CE1-CD2 3.94Å; Y1141-L1177 HydrophobicContact CE2-CD2 4.21Å; Y1141-L1177 HydrophobicContact CG-CD2 3.97Å; Y1141-E1178 HydrophobicContact CE2-CG 4.49Å; Y1141-E1178 WeakPolarHBondContact OH-CB 3.34Å; Y1141-E1178 WeakPolarHBondContact OH-CG 3.38Å; Y1141-E1178 PolarHBondContact OH-N 3.44Å; Y1141-E1178 VanDerWaalsContact OH-N 3.16Å; Y1141-H1181 HydrophobicContact CE1-CB 4.45Å; Y1141-H1181 AromaticContact CE1-ND1 3.56Å; Y1141-H1181 AromaticContact CZ-ND1 3.69Å; Y1141-H1181 PolarHBondContact OH-ND1 2.81Å
1142	I	94.7	Very high	91.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-44	178.8	-67.4	164.3	0	0	0	110.9	I1107 F1110 R1111 L1114 C1138 R1139 S1146 V1286	I1107-I1142 HydrophobicContact CG2-CG2 4.35Å; F1110-I1142 HydrophobicContact CB-CD1 3.88Å; F1110-I1142 HydrophobicContact CB-CG1 3.61Å; R1111-I1142 HydrophobicContact CB-CD1 4.11Å; L1114-I1142 HydrophobicContact CD2-CD1 3.97Å; C1138-I1142 WeakPolarHBondContact O-CB 3.41Å; C1138-I1142 VanDerWaalsContact O-CD1 3.28Å; C1138-I1142 WeakPolarHBondContact O-CD1 3.46Å; C1138-I1142 WeakPolarHBondContact O-CG1 3.21Å; C1138-I1142 PolarHBondContact O-N 2.93Å; R1139-I1142 PolarHBondContact O-N 2.62Å; I1142-S1146 VanDerWaalsContact O-CB 3.24Å; I1142-S1146 WeakPolarHBondContact O-CB 3.3Å; I1142-S1146 PolarHBondContact O-N 3.33Å; I1142-S1146 PolarHBondContact O-OG 2.86Å; I1142-V1286 HydrophobicContact CB-CG1 4.05Å; I1142-V1286 HydrophobicContact CD1-CG1 3.98Å; I1142-V1286 HydrophobicContact CG2-CB 4.26Å; I1142-V1286 HydrophobicContact CG2-CG1 3.9Å; I1142-V1286 HydrophobicContact CG2-CG2 4.42Å
1143	V	92.6	Very high	91	Very high	11 Å²	11	27.3 Å²	27.3	7%	0.067	15%	0.153	C	C	.	.	H	α-helix	trans	-63.8	-49.8	179.2	174	0	0	0	0	110.5	R1139 S1146 M1147 I1251 A1253 V1286	R1139-V1143 HydrophobicContact CG-CG2 4.05Å; R1139-V1143 WeakPolarHBondContact O-CB 3.21Å; R1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; R1139-V1143 PolarHBondContact O-N 3.36Å; V1143-S1146 PolarHBondContact O-N 3.14Å; V1143-M1147 VanDerWaalsContact O-CB 3.29Å; V1143-M1147 WeakPolarHBondContact O-CB 3.21Å; V1143-M1147 PolarHBondContact O-N 3.44Å; V1143-I1251 HydrophobicContact CG1-CG2 4.35Å; V1143-A1253 HydrophobicContact CG1-CB 4.46Å; V1143-A1253 HydrophobicContact CG2-CB 3.77Å; V1143-V1286 HydrophobicContact CG2-CG2 3.55Å
1144	G	91	Very high	90.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.4	-48.9	-179.1	0	0	0	0	0	113.2	E1140 S1146 M1147 E1148	E1140-G1144 PolarHBondContact O-N 2.79Å; G1144-S1146 PolarHBondContact O-N 2.85Å; G1144-M1147 WeakPolarHBondContact O-CB 3.32Å; G1144-M1147 PolarHBondContact O-N 2.92Å; G1144-E1148 PolarHBondContact O-N 3.21Å
1145	L	92.4	Very high	90.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-68.2	-34.5	179.3	-63.2	175.2	0	0	0	112.8	T1098 F1103 A1106 I1107 F1110 Y1141 M1147 E1148 M1149 F1172	T1098-L1145 HydrophobicContact CG2-CD1 4.11Å; T1098-L1145 HydrophobicContact CG2-CD2 3.86Å; F1103-L1145 HydrophobicContact CD1-CD2 3.67Å; F1103-L1145 HydrophobicContact CE1-CD2 3.93Å; F1103-L1145 HydrophobicContact CG-CD2 4.09Å; A1106-L1145 HydrophobicContact CB-CD1 3.98Å; I1107-L1145 HydrophobicContact CD1-CB 3.75Å; I1107-L1145 HydrophobicContact CG1-CB 3.68Å; I1107-L1145 HydrophobicContact CG1-CD1 4.29Å; F1110-L1145 HydrophobicContact CD2-CD1 4.29Å; F1110-L1145 HydrophobicContact CE2-CD1 3.87Å; Y1141-L1145 HydrophobicContact CD1-CD1 4.39Å; Y1141-L1145 VanDerWaalsContact O-CB 3.26Å; Y1141-L1145 WeakPolarHBondContact O-CB 3.26Å; Y1141-L1145 WeakPolarHBondContact O-CG 3.21Å; Y1141-L1145 PolarHBondContact O-N 2.93Å; L1145-M1147 VanDerWaalsContact C-N 3.34Å; L1145-E1148 PolarHBondContact O-N 2.98Å; L1145-M1149 WeakPolarHBondContact O-CG 3.33Å; L1145-M1149 PolarHBondContact O-N 3.26Å; L1145-F1172 HydrophobicContact CD2-CZ 4.07Å
1146	S	92.3	Very high	89.3	Confident	22 Å²	22	32.3 Å²	32.3	15%	0.154	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-36.3	175	-52.1	0	0	0	0	111.5	I1142 V1143 G1144 T1150 Y1256	I1142-S1146 VanDerWaalsContact O-CB 3.24Å; I1142-S1146 WeakPolarHBondContact O-CB 3.3Å; I1142-S1146 PolarHBondContact O-N 3.33Å; I1142-S1146 PolarHBondContact O-OG 2.86Å; V1143-S1146 PolarHBondContact O-N 3.14Å; G1144-S1146 PolarHBondContact O-N 2.85Å; S1146-T1150 WeakPolarHBondContact O-CB 3.46Å; S1146-T1150 PolarHBondContact O-N 3.4Å; S1146-T1150 PolarHBondContact O-OG1 3.07Å; S1146-Y1256 WeakPolarHBondContact CB-OH 3.26Å; S1146-Y1256 PolarHBondContact O-OH 2.76Å
1147	M	90.6	Very high	88.7	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-42.9	173.8	-177.3	164.9	48.1	0	0	111.6	V1143 G1144 L1145 T1150 R1151 L1168 Y1171 F1172 I1251 Y1256	V1143-M1147 VanDerWaalsContact O-CB 3.29Å; V1143-M1147 WeakPolarHBondContact O-CB 3.21Å; V1143-M1147 PolarHBondContact O-N 3.44Å; G1144-M1147 WeakPolarHBondContact O-CB 3.32Å; G1144-M1147 PolarHBondContact O-N 2.92Å; L1145-M1147 VanDerWaalsContact C-N 3.34Å; M1147-T1150 CarbonylContact O-C 3.56Å; M1147-T1150 WeakPolarHBondContact O-CB 3.34Å; M1147-T1150 PolarHBondContact O-N 2.86Å; M1147-R1151 PolarHBondContact O-N 2.7Å; M1147-L1168 HydrophobicContact CG-CB 4.14Å; M1147-L1168 HydrophobicContact CG-CD1 4.3Å; M1147-L1168 HydrophobicContact CG-CD2 4.09Å; M1147-L1168 HydrophobicContact CG-CG 4.41Å; M1147-L1168 HydrophobicContact SD-CD2 4.2Å; M1147-Y1171 HydrophobicContact SD-CD2 4.41Å; M1147-F1172 VanDerWaalsContact CE-CA 3.47Å; M1147-F1172 HydrophobicContact CE-CB 3.82Å; M1147-F1172 HydrophobicContact CE-CD2 4.47Å; M1147-F1172 HydrophobicContact CE-CG 4.43Å; M1147-I1251 HydrophobicContact CE-CD1 4.1Å; M1147-I1251 HydrophobicContact SD-CG2 4.33Å; M1147-Y1256 HydrophobicContact CB-CD1 3.57Å; M1147-Y1256 HydrophobicContact CB-CE1 3.69Å; M1147-Y1256 HydrophobicContact CB-CG 4.05Å; M1147-Y1256 HydrophobicContact CG-CD1 3.8Å; M1147-Y1256 HydrophobicContact CG-CE1 4.4Å; M1147-Y1256 HydrophobicContact CG-CG 3.86Å; M1147-Y1256 HydrophobicContact SD-CD1 3.97Å; M1147-Y1256 HydrophobicContact SD-CG 4.15Å
1148	E	88	Confident	88.3	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-40.1	175.9	177.8	59.6	-166.8	0	0	112.5	F1103 G1144 L1145 T1150 R1151 K1152 F1172	F1103-E1148 HydrophobicContact CD2-CG 4.16Å; F1103-E1148 HydrophobicContact CE2-CG 3.55Å; F1103-E1148 HydrophobicContact CZ-CG 4.25Å; G1144-E1148 PolarHBondContact O-N 3.21Å; L1145-E1148 PolarHBondContact O-N 2.98Å; E1148-T1150 VanDerWaalsContact C-N 3.29Å; E1148-T1150 PolarHBondContact O-N 2.98Å; E1148-R1151 WeakPolarHBondContact O-CB 3.17Å; E1148-R1151 PolarHBondContact O-N 3.33Å; E1148-R1151 IonicContact OE1-CZ 2.67Å; E1148-R1151 IonicContact OE1-NE 2.74Å; E1148-R1151 PolarHBondContact OE1-NE 3.03Å; E1148-R1151 IonicContact OE1-NH2 3.45Å; E1148-R1151 PolarHBondContact OE1-NH2 2.89Å; E1148-R1151 IonicContact OE2-CZ 3.34Å; E1148-R1151 IonicContact OE2-NE 2.84Å; E1148-R1151 PolarHBondContact OE2-NE 2.71Å; E1148-R1151 IonicContact OE2-NH2 3.49Å; E1148-K1152 WeakPolarHBondContact O-CG 3.36Å; E1148-K1152 PolarHBondContact O-N 3.43Å; E1148-K1152 WeakPolarHBondContact OE1-CE 3.46Å; E1148-F1172 HydrophobicContact CB-CD1 3.84Å; E1148-F1172 HydrophobicContact CB-CE1 3.53Å; E1148-F1172 HydrophobicContact CB-CZ 4.25Å; E1148-F1172 HydrophobicContact CG-CD1 4.31Å; E1148-F1172 HydrophobicContact CG-CE1 3.84Å
1149	M	89	Confident	87.7	Confident	65 Å²	65	42.1 Å²	42.1	32%	0.32	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-41.7	170.5	-76.7	-174.6	63.3	0	0	111.4	F1103 Q1104 I1107 L1145 R1151 K1152 S1153	F1103-M1149 HydrophobicContact CB-CG 3.88Å; F1103-M1149 HydrophobicContact CB-SD 3.88Å; F1103-M1149 HydrophobicContact CD2-CG 4.2Å; Q1104-M1149 HydrophobicContact CB-CE 4.13Å; Q1104-M1149 HydrophobicContact CB-SD 4.19Å; I1107-M1149 HydrophobicContact CD1-SD 3.65Å; L1145-M1149 WeakPolarHBondContact O-CG 3.33Å; L1145-M1149 PolarHBondContact O-N 3.26Å; M1149-R1151 VanDerWaalsContact C-N 3.35Å; M1149-K1152 PolarHBondContact O-N 3.33Å; M1149-S1153 PolarHBondContact O-N 2.79Å; M1149-S1153 PolarHBondContact O-OG 2.88Å
1150	T	86.7	Confident	87.1	Confident	46 Å²	46	44.5 Å²	44.5	28%	0.282	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-38.4	175.8	-52.6	0	0	0	0	111.7	S1146 M1147 E1148 S1153 M1154 L1168 Y1256	S1146-T1150 WeakPolarHBondContact O-CB 3.46Å; S1146-T1150 PolarHBondContact O-N 3.4Å; S1146-T1150 PolarHBondContact O-OG1 3.07Å; M1147-T1150 CarbonylContact O-C 3.56Å; M1147-T1150 WeakPolarHBondContact O-CB 3.34Å; M1147-T1150 PolarHBondContact O-N 2.86Å; E1148-T1150 VanDerWaalsContact C-N 3.29Å; E1148-T1150 PolarHBondContact O-N 2.98Å; T1150-S1153 WeakPolarHBondContact CA-OG 3.46Å; T1150-S1153 PolarHBondContact O-N 2.91Å; T1150-S1153 PolarHBondContact O-OG 3.03Å; T1150-M1154 WeakPolarHBondContact O-CG 3.27Å; T1150-M1154 PolarHBondContact O-N 3.28Å; T1150-L1168 HydrophobicContact CG2-CD1 4.47Å; T1150-Y1256 HydrophobicContact CG2-CD2 4.2Å; T1150-Y1256 HydrophobicContact CG2-CE2 3.97Å; T1150-Y1256 VanDerWaalsContact OG1-CE2 3.25Å; T1150-Y1256 WeakPolarHBondContact OG1-CE2 3.44Å
1151	R	88.7	Confident	86.7	Confident	1 Å²	1	46 Å²	46	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-41.9	174.1	-168.3	-165.9	68.2	79.3	-0.8	112.1	D923 M1147 E1148 M1149 S1153 N1165 L1168	D923-R1151 IonicContact OD2-CZ 3.41Å; D923-R1151 IonicContact OD2-NH1 3.49Å; D923-R1151 PolarHBondContact OD2-NH1 2.98Å; D923-R1151 IonicContact OD2-NH2 2.76Å; D923-R1151 PolarHBondContact OD2-NH2 2.98Å; M1147-R1151 PolarHBondContact O-N 2.7Å; E1148-R1151 WeakPolarHBondContact O-CB 3.17Å; E1148-R1151 PolarHBondContact O-N 3.33Å; E1148-R1151 IonicContact OE1-CZ 2.67Å; E1148-R1151 IonicContact OE1-NE 2.74Å; E1148-R1151 PolarHBondContact OE1-NE 3.03Å; E1148-R1151 IonicContact OE1-NH2 3.45Å; E1148-R1151 PolarHBondContact OE1-NH2 2.89Å; E1148-R1151 IonicContact OE2-CZ 3.34Å; E1148-R1151 IonicContact OE2-NE 2.84Å; E1148-R1151 PolarHBondContact OE2-NE 2.71Å; E1148-R1151 IonicContact OE2-NH2 3.49Å; M1149-R1151 VanDerWaalsContact C-N 3.35Å; R1151-S1153 VanDerWaalsContact C-N 3.32Å; R1151-N1165 VanDerWaalsContact CD-O 3.29Å; R1151-N1165 WeakPolarHBondContact CD-O 3.24Å; R1151-N1165 WeakPolarHBondContact CD-OD1 3.45Å; R1151-N1165 HydrophobicContact CG-CB 4.49Å; R1151-N1165 WeakPolarHBondContact CG-OD1 3.49Å; R1151-N1165 PolarHBondContact NH1-OD1 2.85Å; R1151-N1165 PolarHBondContact O-ND2 2.98Å; R1151-N1165 VanDerWaalsContact O-ND2 3.07Å; R1151-L1168 HydrophobicContact CB-CB 4.14Å; R1151-L1168 HydrophobicContact CB-CD1 4.01Å; R1151-L1168 HydrophobicContact CG-CB 4.11Å
1152	K	84.8	Confident	86.1	Confident	88 Å²	88	49.5 Å²	49.5	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-71.5	-22	177.2	-71.8	-170.4	178.2	-167.5	0	113.4	W920 F1103 E1148 M1149	W920-K1152 PolarHBondContact O-NZ 3.28Å; F1103-K1152 HydrophobicContact CE2-CD 4.44Å; E1148-K1152 WeakPolarHBondContact O-CG 3.36Å; E1148-K1152 PolarHBondContact O-N 3.43Å; E1148-K1152 WeakPolarHBondContact OE1-CE 3.46Å; M1149-K1152 PolarHBondContact O-N 3.33Å
1153	S	84.9	Confident	85.7	Confident	92 Å²	92	51 Å²	51	64%	0.643	28%	0.284	S	S	*	.	H	α-helix	trans	-92.6	-7	177.4	63.3	0	0	0	0	115.3	M1149 T1150 R1151	M1149-S1153 PolarHBondContact O-N 2.79Å; M1149-S1153 PolarHBondContact O-OG 2.88Å; T1150-S1153 WeakPolarHBondContact CA-OG 3.46Å; T1150-S1153 PolarHBondContact O-N 2.91Å; T1150-S1153 PolarHBondContact O-OG 3.03Å; R1151-S1153 VanDerWaalsContact C-N 3.32Å
1154	M	82.2	Confident	85.5	Confident	51 Å²	51	53.5 Å²	53.5	25%	0.251	29%	0.292	S	S	.	.	S	Bend	trans	-82	144.6	175.9	-77.5	-172.7	-61.6	0	0	111.6	T1150 R1164 L1168	T1150-M1154 WeakPolarHBondContact O-CG 3.27Å; T1150-M1154 PolarHBondContact O-N 3.28Å; M1154-R1164 HydrophobicContact CE-CG 4.26Å; M1154-R1164 HydrophobicContact SD-CG 4.3Å; M1154-L1168 HydrophobicContact CE-CD1 3.45Å; M1154-L1168 VanDerWaalsContact CE-CD1 3.45Å; M1154-L1168 HydrophobicContact CE-CG 4.15Å
1155	P	80.8	Confident	85.3	Confident	62 Å²	62	53.6 Å²	53.6	40%	0.403	29%	0.292	S	S	.	.			trans	-59.4	164.6	166.1	28.5	-36.4	0	0	0	111.6	E1161	P1155-E1161 HydrophobicContact CG-CG 4.39Å; P1155-E1161 VanDerWaalsContact CG-OE1 3.25Å; P1155-E1161 WeakPolarHBondContact CG-OE1 3.2Å
1156	K	78	Confident	85	Confident	79 Å²	79	53.6 Å²	53.6	34%	0.343	29%	0.293	S	S	.	.			trans	-126.8	17.5	-179	-66.2	-177.3	174.5	-179.4	0	112	D923 Q1162	D923-K1156 IonicContact OD1-NZ 2.77Å; D923-K1156 PolarHBondContact OD1-NZ 3.48Å; D923-K1156 IonicContact OD2-NZ 3.77Å; D923-K1156 PolarHBondContact OD2-NZ 3.08Å; K1156-Q1162 VanDerWaalsContact O-CG 3.3Å; K1156-Q1162 WeakPolarHBondContact O-CG 3.48Å; K1156-Q1162 PolarHBondContact O-NE2 2.8Å
1157	D	78.8	Confident	84.9	Confident	144 Å²	144	53.4 Å²	53.4	77%	0.77	29%	0.289	S	S	*	.	S	Bend	trans	-85.7	-33.5	-162.4	-53.7	-30.4	0	0	0	112.1
1158	T	83.5	Confident	84.8	Confident	69 Å²	69	53.5 Å²	53.5	42%	0.423	29%	0.29	S	S	.	.	S	Bend	trans	-98.7	150.5	173.7	71.6	0	0	0	0	112.4	A1160 E1161 Q1162	T1158-A1160 PolarHBondContact O-N 3.25Å; T1158-E1161 WeakPolarHBondContact CB-OE2 3.48Å; T1158-E1161 WeakPolarHBondContact CG2-OE2 3.28Å; T1158-E1161 PolarHBondContact N-OE2 3.08Å; T1158-E1161 PolarHBondContact O-N 2.77Å; T1158-E1161 VanDerWaalsContact O-N 3.08Å; T1158-E1161 VanDerWaalsContact OG1-CG 3.25Å; T1158-E1161 WeakPolarHBondContact OG1-CG 3.33Å; T1158-E1161 PolarHBondContact OG1-N 2.97Å; T1158-E1161 PolarHBondContact OG1-OE2 2.86Å; T1158-Q1162 WeakPolarHBondContact O-CG 3.47Å; T1158-Q1162 PolarHBondContact O-N 2.88Å
1159	I	81.4	Confident	84.8	Confident	101 Å²	101	53.5 Å²	53.5	52%	0.518	29%	0.29	S	S	.	.	H	α-helix	trans	-57.9	-35.9	176.1	-63.5	168.2	0	0	0	111.2	Q1162 I1163	I1159-Q1162 PolarHBondContact O-N 2.88Å; I1159-I1163 HydrophobicContact CG2-CD1 3.85Å; I1159-I1163 HydrophobicContact CG2-CG1 4.35Å; I1159-I1163 WeakPolarHBondContact O-CB 3.38Å; I1159-I1163 VanDerWaalsContact O-CG1 3.22Å; I1159-I1163 WeakPolarHBondContact O-CG1 3.16Å; I1159-I1163 PolarHBondContact O-N 3.07Å
1160	A	80.8	Confident	84.8	Confident	71 Å²	71	50.4 Å²	50.4	59%	0.587	27%	0.274	S	S	*	.	H	α-helix	trans	-64.9	-38.8	176.9	0	0	0	0	0	112.6	T1158 R1164	T1158-A1160 PolarHBondContact O-N 3.25Å; A1160-R1164 WeakPolarHBondContact O-CB 3.44Å; A1160-R1164 PolarHBondContact O-N 3.12Å
1161	E	84.2	Confident	85	Confident	59 Å²	59	48.2 Å²	48.2	28%	0.276	26%	0.261	S	S	.	.	H	α-helix	trans	-69.9	-38.6	174.3	-69.4	155.2	154.2	0	0	111.5	P1155 T1158 R1164 N1165	P1155-E1161 HydrophobicContact CG-CG 4.39Å; P1155-E1161 VanDerWaalsContact CG-OE1 3.25Å; P1155-E1161 WeakPolarHBondContact CG-OE1 3.2Å; T1158-E1161 WeakPolarHBondContact CB-OE2 3.48Å; T1158-E1161 WeakPolarHBondContact CG2-OE2 3.28Å; T1158-E1161 PolarHBondContact N-OE2 3.08Å; T1158-E1161 PolarHBondContact O-N 2.77Å; T1158-E1161 VanDerWaalsContact O-N 3.08Å; T1158-E1161 VanDerWaalsContact OG1-CG 3.25Å; T1158-E1161 WeakPolarHBondContact OG1-CG 3.33Å; T1158-E1161 PolarHBondContact OG1-N 2.97Å; T1158-E1161 PolarHBondContact OG1-OE2 2.86Å; E1161-R1164 CarbonylContact O-C 3.54Å; E1161-R1164 PolarHBondContact O-N 3.1Å; E1161-N1165 WeakPolarHBondContact O-CB 3.36Å; E1161-N1165 PolarHBondContact O-N 2.89Å
1162	Q	83.1	Confident	85.1	Confident	76 Å²	76	48.2 Å²	48.2	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-45.7	175.6	-64.7	175.6	8.7	0	0	111.9	K1156 T1158 I1159 R1164 N1165 A1166 L1196	K1156-Q1162 VanDerWaalsContact O-CG 3.3Å; K1156-Q1162 WeakPolarHBondContact O-CG 3.48Å; K1156-Q1162 PolarHBondContact O-NE2 2.8Å; T1158-Q1162 WeakPolarHBondContact O-CG 3.47Å; T1158-Q1162 PolarHBondContact O-N 2.88Å; I1159-Q1162 PolarHBondContact O-N 2.88Å; Q1162-R1164 VanDerWaalsContact C-N 3.32Å; Q1162-R1164 PolarHBondContact O-N 3.41Å; Q1162-N1165 WeakPolarHBondContact O-CB 3.42Å; Q1162-N1165 PolarHBondContact O-N 3.05Å; Q1162-N1165 VanDerWaalsContact O-N 3.13Å; Q1162-A1166 PolarHBondContact O-N 3.48Å; Q1162-L1196 HydrophobicContact CB-CD2 3.9Å
1163	I	86	Confident	85.2	Confident	32 Å²	32	44 Å²	44	16%	0.164	24%	0.243	C	C	.	.	H	α-helix	trans	-53.6	-49.9	170.6	-72.5	168.4	0	0	0	109.8	I1159 N1165 A1166 E1167 H1239 L1241	I1159-I1163 HydrophobicContact CG2-CD1 3.85Å; I1159-I1163 HydrophobicContact CG2-CG1 4.35Å; I1159-I1163 WeakPolarHBondContact O-CB 3.38Å; I1159-I1163 VanDerWaalsContact O-CG1 3.22Å; I1159-I1163 WeakPolarHBondContact O-CG1 3.16Å; I1159-I1163 PolarHBondContact O-N 3.07Å; I1163-N1165 VanDerWaalsContact C-N 3.31Å; I1163-N1165 PolarHBondContact O-N 3.44Å; I1163-A1166 PolarHBondContact O-N 3.27Å; I1163-E1167 PolarHBondContact O-N 3.46Å; I1163-H1239 HydrophobicContact CD1-CB 3.82Å; I1163-H1239 HydrophobicContact CG1-CB 3.93Å; I1163-L1241 HydrophobicContact CG2-CD2 3.95Å
1164	R	87.5	Confident	85.3	Confident	62 Å²	62	42.8 Å²	42.8	23%	0.234	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-31.1	178.8	-173.1	58	179.3	159.3	8.4	113.1	M1154 A1160 E1161 Q1162 E1167 L1168 T1255 Y1256	M1154-R1164 HydrophobicContact CE-CG 4.26Å; M1154-R1164 HydrophobicContact SD-CG 4.3Å; A1160-R1164 WeakPolarHBondContact O-CB 3.44Å; A1160-R1164 PolarHBondContact O-N 3.12Å; E1161-R1164 CarbonylContact O-C 3.54Å; E1161-R1164 PolarHBondContact O-N 3.1Å; Q1162-R1164 VanDerWaalsContact C-N 3.32Å; Q1162-R1164 PolarHBondContact O-N 3.41Å; R1164-E1167 IonicContact CZ-OE2 2.94Å; R1164-E1167 IonicContact NH1-OE2 2.85Å; R1164-E1167 PolarHBondContact NH1-OE2 3.49Å; R1164-L1168 WeakPolarHBondContact O-CG 3.3Å; R1164-L1168 PolarHBondContact O-N 2.95Å; R1164-L1168 VanDerWaalsContact O-N 3.12Å; R1164-T1255 PolarHBondContact NH2-O 2.81Å; R1164-Y1256 PolarHBondContact NH1-O 3.05Å; R1164-Y1256 PolarHBondContact NH2-O 3.01Å
1165	N	87.4	Confident	85.5	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.011	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-45.8	175.7	-153.4	-75.2	0	0	0	110.8	R1151 E1161 Q1162 I1163 L1168 A1169	R1151-N1165 VanDerWaalsContact CD-O 3.29Å; R1151-N1165 WeakPolarHBondContact CD-O 3.24Å; R1151-N1165 WeakPolarHBondContact CD-OD1 3.45Å; R1151-N1165 HydrophobicContact CG-CB 4.49Å; R1151-N1165 WeakPolarHBondContact CG-OD1 3.49Å; R1151-N1165 PolarHBondContact NH1-OD1 2.85Å; R1151-N1165 PolarHBondContact O-ND2 2.98Å; R1151-N1165 VanDerWaalsContact O-ND2 3.07Å; E1161-N1165 WeakPolarHBondContact O-CB 3.36Å; E1161-N1165 PolarHBondContact O-N 2.89Å; Q1162-N1165 WeakPolarHBondContact O-CB 3.42Å; Q1162-N1165 PolarHBondContact O-N 3.05Å; Q1162-N1165 VanDerWaalsContact O-N 3.13Å; I1163-N1165 VanDerWaalsContact C-N 3.31Å; I1163-N1165 PolarHBondContact O-N 3.44Å; N1165-L1168 PolarHBondContact O-N 2.75Å; N1165-A1169 PolarHBondContact O-N 3.34Å
1166	A	87.3	Confident	85.8	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-37.5	174.9	0	0	0	0	0	112.6	Q1162 I1163 L1168 A1169 C1170 L1192 L1193 L1196	Q1162-A1166 PolarHBondContact O-N 3.48Å; I1163-A1166 PolarHBondContact O-N 3.27Å; A1166-L1168 PolarHBondContact O-N 2.97Å; A1166-A1169 PolarHBondContact O-N 2.88Å; A1166-C1170 PolarHBondContact O-N 2.94Å; A1166-C1170 PolarHBondContact O-SG 2.7Å; A1166-L1192 HydrophobicContact CB-CB 4.13Å; A1166-L1193 HydrophobicContact CB-CD2 4.48Å; A1166-L1196 HydrophobicContact CB-CD1 3.4Å; A1166-L1196 VanDerWaalsContact CB-CD1 3.4Å
1167	E	88.8	Confident	86.3	Confident	18 Å²	18	43.9 Å²	43.9	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-54.8	-51.2	171	-82.4	-167.5	-174	0	0	112	I1163 R1164 A1169 C1170 Y1171 L1241 S1242	I1163-E1167 PolarHBondContact O-N 3.46Å; R1164-E1167 IonicContact CZ-OE2 2.94Å; R1164-E1167 IonicContact NH1-OE2 2.85Å; R1164-E1167 PolarHBondContact NH1-OE2 3.49Å; E1167-A1169 VanDerWaalsContact C-N 3.3Å; E1167-A1169 PolarHBondContact O-N 3.02Å; E1167-C1170 WeakPolarHBondContact O-CB 3.49Å; E1167-C1170 PolarHBondContact O-N 3.41Å; E1167-C1170 VanDerWaalsContact O-N 3.11Å; E1167-Y1171 HydrophobicContact CB-CE2 3.69Å; E1167-Y1171 HydrophobicContact CG-CE2 4.46Å; E1167-Y1171 WeakPolarHBondContact O-CD2 3.48Å; E1167-Y1171 WeakPolarHBondContact O-CE2 3.2Å; E1167-Y1171 VanDerWaalsContact O-CG 3.24Å; E1167-Y1171 PolarHBondContact O-N 2.79Å; E1167-Y1171 PolarHBondContact OE2-OH 3.2Å; E1167-L1241 HydrophobicContact CG-CB 4.29Å; E1167-L1241 HydrophobicContact CG-CD2 3.76Å; E1167-S1242 WeakPolarHBondContact OE1-CB 3.17Å; E1167-S1242 PolarHBondContact OE1-N 2.79Å
1168	L	89.4	Confident	86.7	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-39.5	179.8	-68.5	-162.7	0	0	0	112.2	M1147 T1150 R1151 M1154 R1164 N1165 A1166 Y1171 F1172	M1147-L1168 HydrophobicContact CG-CB 4.14Å; M1147-L1168 HydrophobicContact CG-CD1 4.3Å; M1147-L1168 HydrophobicContact CG-CD2 4.09Å; M1147-L1168 HydrophobicContact CG-CG 4.41Å; M1147-L1168 HydrophobicContact SD-CD2 4.2Å; T1150-L1168 HydrophobicContact CG2-CD1 4.47Å; R1151-L1168 HydrophobicContact CB-CB 4.14Å; R1151-L1168 HydrophobicContact CB-CD1 4.01Å; R1151-L1168 HydrophobicContact CG-CB 4.11Å; M1154-L1168 HydrophobicContact CE-CD1 3.45Å; M1154-L1168 VanDerWaalsContact CE-CD1 3.45Å; M1154-L1168 HydrophobicContact CE-CG 4.15Å; R1164-L1168 WeakPolarHBondContact O-CG 3.3Å; R1164-L1168 PolarHBondContact O-N 2.95Å; R1164-L1168 VanDerWaalsContact O-N 3.12Å; N1165-L1168 PolarHBondContact O-N 2.75Å; A1166-L1168 PolarHBondContact O-N 2.97Å; L1168-Y1171 HydrophobicContact CD2-CD2 3.98Å; L1168-Y1171 HydrophobicContact CD2-CE2 4.24Å; L1168-Y1171 PolarHBondContact O-N 3.28Å; L1168-F1172 WeakPolarHBondContact O-CB 3.23Å; L1168-F1172 PolarHBondContact O-N 3.23Å
1169	A	88.3	Confident	86.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-62.6	-44.5	173.6	0	0	0	0	0	111.4	N1165 A1166 E1167 Y1171 F1172 T1173 A1189 L1192	N1165-A1169 PolarHBondContact O-N 3.34Å; A1166-A1169 PolarHBondContact O-N 2.88Å; E1167-A1169 VanDerWaalsContact C-N 3.3Å; E1167-A1169 PolarHBondContact O-N 3.02Å; A1169-Y1171 PolarHBondContact O-N 3.11Å; A1169-F1172 WeakPolarHBondContact O-CB 3.5Å; A1169-F1172 PolarHBondContact O-N 3.41Å; A1169-T1173 WeakPolarHBondContact O-CG2 3.41Å; A1169-T1173 PolarHBondContact O-N 3.28Å; A1169-A1189 HydrophobicContact CB-CB 4.06Å; A1169-L1192 HydrophobicContact CB-CD1 3.6Å
1170	C	88.7	Confident	86.9	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-46.6	176.2	-67	0	0	0	0	112	A1166 E1167 F1172 T1173 H1174 M1205 Y1243	A1166-C1170 PolarHBondContact O-N 2.94Å; A1166-C1170 PolarHBondContact O-SG 2.7Å; E1167-C1170 WeakPolarHBondContact O-CB 3.49Å; E1167-C1170 PolarHBondContact O-N 3.41Å; E1167-C1170 VanDerWaalsContact O-N 3.11Å; C1170-F1172 VanDerWaalsContact C-N 3.32Å; C1170-F1172 PolarHBondContact O-N 2.9Å; C1170-T1173 PolarHBondContact O-N 2.87Å; C1170-T1173 PolarHBondContact O-OG1 2.85Å; C1170-H1174 PolarHBondContact O-CD2 2.82Å; C1170-M1205 HydrophobicContact CB-CE 3.85Å; C1170-Y1243 HydrophobicContact CB-CD1 4.08Å; C1170-Y1243 HydrophobicContact CB-CD2 4.14Å; C1170-Y1243 HydrophobicContact CB-CE1 4.12Å; C1170-Y1243 HydrophobicContact CB-CE2 4.19Å; C1170-Y1243 HydrophobicContact CB-CG 4.08Å
1171	Y	90.4	Very high	87.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-37.6	176.1	-51.7	-41.6	0	0	0	111.8	M1147 E1167 L1168 A1169 T1173 H1174 S1242 Y1243 F1249 I1251 P1258	M1147-Y1171 HydrophobicContact SD-CD2 4.41Å; E1167-Y1171 HydrophobicContact CB-CE2 3.69Å; E1167-Y1171 HydrophobicContact CG-CE2 4.46Å; E1167-Y1171 WeakPolarHBondContact O-CD2 3.48Å; E1167-Y1171 WeakPolarHBondContact O-CE2 3.2Å; E1167-Y1171 VanDerWaalsContact O-CG 3.24Å; E1167-Y1171 PolarHBondContact O-N 2.79Å; E1167-Y1171 PolarHBondContact OE2-OH 3.2Å; L1168-Y1171 HydrophobicContact CD2-CD2 3.98Å; L1168-Y1171 HydrophobicContact CD2-CE2 4.24Å; L1168-Y1171 PolarHBondContact O-N 3.28Å; A1169-Y1171 PolarHBondContact O-N 3.11Å; Y1171-T1173 VanDerWaalsContact C-N 3.26Å; Y1171-T1173 PolarHBondContact O-N 3.28Å; Y1171-H1174 PolarHBondContact O-N 3.46Å; Y1171-S1242 PolarHBondContact OH-O 2.98Å; Y1171-Y1243 HydrophobicContact CD1-CD2 4.03Å; Y1171-Y1243 AromaticContact CE1-CD2 4Å; Y1171-Y1243 HydrophobicContact CE1-CD2 4Å; Y1171-Y1243 HydrophobicContact CE1-CG 4.43Å; Y1171-F1249 AromaticContact CD1-CE2 3.96Å; Y1171-F1249 HydrophobicContact CD1-CE2 3.96Å; Y1171-F1249 AromaticContact CD1-CZ 3.92Å; Y1171-F1249 HydrophobicContact CD1-CZ 3.92Å; Y1171-I1251 VanDerWaalsContact O-CD1 3.28Å; Y1171-I1251 WeakPolarHBondContact O-CD1 3.5Å; Y1171-P1258 HydrophobicContact CE1-CB 4.21Å; Y1171-P1258 HydrophobicContact CE1-CG 3.78Å
1172	F	89.9	Confident	87.4	Confident	1 Å²	1	34.1 Å²	34.1	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-34.9	178.3	-169.2	-164.8	0	0	0	112.1	L1145 M1147 E1148 L1168 A1169 C1170 H1174 C1175 L1177 T1185	L1145-F1172 HydrophobicContact CD2-CZ 4.07Å; M1147-F1172 VanDerWaalsContact CE-CA 3.47Å; M1147-F1172 HydrophobicContact CE-CB 3.82Å; M1147-F1172 HydrophobicContact CE-CD2 4.47Å; M1147-F1172 HydrophobicContact CE-CG 4.43Å; E1148-F1172 HydrophobicContact CB-CD1 3.84Å; E1148-F1172 HydrophobicContact CB-CE1 3.53Å; E1148-F1172 HydrophobicContact CB-CZ 4.25Å; E1148-F1172 HydrophobicContact CG-CD1 4.31Å; E1148-F1172 HydrophobicContact CG-CE1 3.84Å; L1168-F1172 WeakPolarHBondContact O-CB 3.23Å; L1168-F1172 PolarHBondContact O-N 3.23Å; A1169-F1172 WeakPolarHBondContact O-CB 3.5Å; A1169-F1172 PolarHBondContact O-N 3.41Å; C1170-F1172 VanDerWaalsContact C-N 3.32Å; C1170-F1172 PolarHBondContact O-N 2.9Å; F1172-H1174 PolarHBondContact O-N 3.09Å; F1172-H1174 VanDerWaalsContact O-N 3.08Å; F1172-C1175 HydrophobicContact CD2-CB 4.29Å; F1172-C1175 WeakPolarHBondContact O-CB 3.4Å; F1172-C1175 PolarHBondContact O-N 2.71Å; F1172-C1175 VanDerWaalsContact O-N 3.1Å; F1172-L1177 HydrophobicContact CD2-CD1 4.24Å; F1172-L1177 HydrophobicContact CE2-CD1 3.62Å; F1172-L1177 HydrophobicContact CE2-CD2 4.35Å; F1172-L1177 HydrophobicContact CZ-CD1 4.15Å; F1172-T1185 HydrophobicContact CD1-CG2 3.55Å; F1172-T1185 HydrophobicContact CD2-CG2 4.01Å; F1172-T1185 HydrophobicContact CE1-CG2 3.35Å; F1172-T1185 HydrophobicContact CE2-CG2 3.83Å; F1172-T1185 HydrophobicContact CG-CG2 3.87Å; F1172-T1185 HydrophobicContact CZ-CG2 3.5Å
1173	T	88.1	Confident	87.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.4	173.8	76.4	0	0	0	0	114.2	A1169 C1170 Y1171 L1182 L1186 A1189 M1205 R1208	A1169-T1173 WeakPolarHBondContact O-CG2 3.41Å; A1169-T1173 PolarHBondContact O-N 3.28Å; C1170-T1173 PolarHBondContact O-N 2.87Å; C1170-T1173 PolarHBondContact O-OG1 2.85Å; Y1171-T1173 VanDerWaalsContact C-N 3.26Å; Y1171-T1173 PolarHBondContact O-N 3.28Å; T1173-L1182 WeakPolarHBondContact O-CD1 3.33Å; T1173-L1186 HydrophobicContact CG2-CD2 3.77Å; T1173-L1186 HydrophobicContact CG2-CG 4.03Å; T1173-A1189 HydrophobicContact CG2-CB 3.63Å; T1173-M1205 HydrophobicContact CG2-CE 4.21Å; T1173-M1205 HydrophobicContact CG2-SD 4.35Å; T1173-R1208 VanDerWaalsContact O-CZ 3.26Å; T1173-R1208 PolarHBondContact O-NH1 2.91Å; T1173-R1208 PolarHBondContact O-NH2 2.9Å; T1173-R1208 PolarHBondContact OG1-NH1 2.82Å
1174	H	87	Confident	87.4	Confident	66 Å²	66	32.1 Å²	32.1	31%	0.306	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-5.8	177.2	-73.7	-84.1	0	0	0	113.9	C1170 Y1171 F1172 Y1243 F1249	C1170-H1174 PolarHBondContact O-CD2 2.82Å; Y1171-H1174 PolarHBondContact O-N 3.46Å; F1172-H1174 PolarHBondContact O-N 3.09Å; F1172-H1174 VanDerWaalsContact O-N 3.08Å; H1174-Y1243 AromaticContact CD2-CE2 3.76Å; H1174-Y1243 AromaticContact NE2-CE2 3.51Å; H1174-Y1243 AromaticContact NE2-CZ 3.65Å; H1174-Y1243 PolarHBondContact NE2-OH 3.37Å; H1174-F1249 HydrophobicContact CB-CE2 4.38Å; H1174-F1249 HydrophobicContact CB-CZ 4.24Å; H1174-F1249 AromaticContact CD2-CZ 3.74Å; H1174-F1249 AromaticContact CG-CZ 3.96Å
1175	C	86.4	Confident	87.4	Confident	4 Å²	4	29.2 Å²	29.2	3%	0.027	14%	0.142	C	C	.	.	S	Bend	trans	-64.9	137.7	164.7	-65.1	0	0	0	0	109.7	E1140 F1172 L1177	E1140-C1175 WeakPolarHBondContact OE2-CA 3.46Å; F1172-C1175 HydrophobicContact CD2-CB 4.29Å; F1172-C1175 WeakPolarHBondContact O-CB 3.4Å; F1172-C1175 PolarHBondContact O-N 2.71Å; F1172-C1175 VanDerWaalsContact O-N 3.1Å; C1175-L1177 VanDerWaalsContact C-N 3.28Å; C1175-L1177 HydrophobicContact CB-CD2 4.17Å; C1175-L1177 HydrophobicContact CB-CG 4.15Å; C1175-L1177 PolarHBondContact O-N 3.3Å
1176	R	85.9	Confident	87.3	Confident	192 Å²	192	29.1 Å²	29.1	73%	0.725	14%	0.142	S	C	*	.			trans	-82.7	73.8	-177.5	-50.4	-178.6	-168.4	178.1	4.5	111.1	E1140	E1140-R1176 HydrophobicContact CG-CB 4.02Å; E1140-R1176 PolarHBondContact OE2-N 3.17Å
1177	L	89	Confident	87.3	Confident	19 Å²	19	30.1 Å²	30.1	10%	0.099	15%	0.145	C	C	.	.			trans	-84.1	164.1	176.5	-49.5	173.4	0	0	0	111.1	Y1141 F1172 C1175 H1181 L1182 T1185	Y1141-L1177 HydrophobicContact CD1-CD2 3.86Å; Y1141-L1177 HydrophobicContact CD2-CD2 4.12Å; Y1141-L1177 HydrophobicContact CE1-CD2 3.94Å; Y1141-L1177 HydrophobicContact CE2-CD2 4.21Å; Y1141-L1177 HydrophobicContact CG-CD2 3.97Å; F1172-L1177 HydrophobicContact CD2-CD1 4.24Å; F1172-L1177 HydrophobicContact CE2-CD1 3.62Å; F1172-L1177 HydrophobicContact CE2-CD2 4.35Å; F1172-L1177 HydrophobicContact CZ-CD1 4.15Å; C1175-L1177 VanDerWaalsContact C-N 3.28Å; C1175-L1177 HydrophobicContact CB-CD2 4.17Å; C1175-L1177 HydrophobicContact CB-CG 4.15Å; C1175-L1177 PolarHBondContact O-N 3.3Å; L1177-H1181 HydrophobicContact CB-CB 4.19Å; L1177-H1181 HydrophobicContact CD1-CB 4.36Å; L1177-L1182 HydrophobicContact CB-CB 4.38Å; L1177-T1185 HydrophobicContact CD1-CG2 3.61Å
1178	E	88.5	Confident	87.1	Confident	76 Å²	76	29.4 Å²	29.4	36%	0.355	14%	0.142	S	C	.	.			trans	-66.6	149.4	167.6	-59.7	-67.6	176.3	0	0	110.5	Y1095 Y1141 P1180 H1181 L1182	Y1095-E1178 HydrophobicContact CD2-CG 4.31Å; Y1095-E1178 HydrophobicContact CE1-CG 4.31Å; Y1095-E1178 HydrophobicContact CE2-CG 3.51Å; Y1095-E1178 WeakPolarHBondContact CE2-OE1 3.28Å; Y1095-E1178 VanDerWaalsContact CZ-CG 3.49Å; Y1095-E1178 WeakPolarHBondContact OH-CG 3.44Å; Y1095-E1178 PolarHBondContact OH-OE1 2.94Å; Y1141-E1178 HydrophobicContact CE2-CG 4.49Å; Y1141-E1178 WeakPolarHBondContact OH-CB 3.34Å; Y1141-E1178 WeakPolarHBondContact OH-CG 3.38Å; Y1141-E1178 PolarHBondContact OH-N 3.44Å; Y1141-E1178 VanDerWaalsContact OH-N 3.16Å; E1178-P1180 VanDerWaalsContact C-CD 3.45Å; E1178-P1180 VanDerWaalsContact O-N 3.16Å; E1178-H1181 PolarHBondContact O-N 2.73Å; E1178-L1182 PolarHBondContact O-N 2.93Å
1179	T	84.7	Confident	87	Confident	70 Å²	70	29.2 Å²	29.2	43%	0.429	14%	0.141	S	C	.	.	H	α-helix	trans	-47.6	-45.4	-174	-46.5	0	0	0	0	114.8	H1181 L1182 I1183 L1212	T1179-H1181 VanDerWaalsContact C-N 3.33Å; T1179-H1181 PolarHBondContact O-N 3.09Å; T1179-L1182 PolarHBondContact O-N 3.07Å; T1179-I1183 HydrophobicContact CG2-CD1 3.98Å; T1179-I1183 HydrophobicContact CG2-CG1 4.47Å; T1179-I1183 WeakPolarHBondContact O-CB 3.17Å; T1179-I1183 WeakPolarHBondContact O-CG1 3.39Å; T1179-I1183 PolarHBondContact O-N 2.88Å; T1179-L1212 HydrophobicContact CG2-CB 4.31Å; T1179-L1212 HydrophobicContact CG2-CD2 4.41Å
1180	P	82.8	Confident	86.9	Confident	64 Å²	64	29.2 Å²	29.2	42%	0.416	14%	0.141	S	C	.	.	H	α-helix	trans	-62.4	-37.6	179.4	-22.8	35	0	0	0	113.3	E1178 L1184	E1178-P1180 VanDerWaalsContact C-CD 3.45Å; E1178-P1180 VanDerWaalsContact O-N 3.16Å; P1180-L1184 WeakPolarHBondContact O-CG 3.23Å; P1180-L1184 PolarHBondContact O-N 2.81Å
1181	H	89.7	Confident	86.8	Confident	7 Å²	7	29.6 Å²	29.6	3%	0.032	14%	0.143	C	C	.	.	H	α-helix	trans	-77	-37.5	177	-62	131.9	0	0	0	111.5	T1099 Y1141 L1177 E1178 T1179 I1183 L1184 T1185	T1099-H1181 PolarHBondContact N-NE2 3.18Å; T1099-H1181 PolarHBondContact OG1-NE2 2.84Å; Y1141-H1181 HydrophobicContact CE1-CB 4.45Å; Y1141-H1181 AromaticContact CE1-ND1 3.56Å; Y1141-H1181 AromaticContact CZ-ND1 3.69Å; Y1141-H1181 PolarHBondContact OH-ND1 2.81Å; L1177-H1181 HydrophobicContact CB-CB 4.19Å; L1177-H1181 HydrophobicContact CD1-CB 4.36Å; E1178-H1181 PolarHBondContact O-N 2.73Å; T1179-H1181 VanDerWaalsContact C-N 3.33Å; T1179-H1181 PolarHBondContact O-N 3.09Å; H1181-I1183 VanDerWaalsContact C-N 3.34Å; H1181-I1183 PolarHBondContact O-N 2.88Å; H1181-L1184 PolarHBondContact O-N 3.04Å; H1181-T1185 WeakPolarHBondContact O-CG2 3.5Å; H1181-T1185 PolarHBondContact O-N 2.83Å; H1181-T1185 VanDerWaalsContact O-N 3.09Å
1182	L	86.6	Confident	86.5	Confident	22 Å²	22	30.8 Å²	30.8	12%	0.115	15%	0.149	C	C	.	.	H	α-helix	trans	-60.4	-42.8	175.7	-176.4	59.4	0	0	0	111.7	T1173 L1177 E1178 T1179 L1184 T1185 L1186 L1212	T1173-L1182 WeakPolarHBondContact O-CD1 3.33Å; L1177-L1182 HydrophobicContact CB-CB 4.38Å; E1178-L1182 PolarHBondContact O-N 2.93Å; T1179-L1182 PolarHBondContact O-N 3.07Å; L1182-L1184 VanDerWaalsContact C-N 3.33Å; L1182-L1184 PolarHBondContact O-N 3.25Å; L1182-T1185 PolarHBondContact O-N 3.15Å; L1182-T1185 PolarHBondContact O-OG1 2.85Å; L1182-L1186 HydrophobicContact CD1-CD1 4.35Å; L1182-L1186 HydrophobicContact CG-CD1 4.11Å; L1182-L1186 PolarHBondContact O-N 2.93Å; L1182-L1212 HydrophobicContact CB-CD1 4.4Å; L1182-L1212 HydrophobicContact CD2-CD1 3.67Å; L1182-L1212 HydrophobicContact CD2-CD2 4.26Å; L1182-L1212 HydrophobicContact CG-CD1 3.74Å
1183	I	84.2	Confident	86.4	Confident	30 Å²	30	30.8 Å²	30.8	15%	0.154	15%	0.149	C	C	.	.	H	α-helix	trans	-54.1	-46.8	172.8	-76.4	166.1	0	0	0	111.4	T1179 H1181 T1185 L1186 R1187 L1209 L1212 P1214	T1179-I1183 HydrophobicContact CG2-CD1 3.98Å; T1179-I1183 HydrophobicContact CG2-CG1 4.47Å; T1179-I1183 WeakPolarHBondContact O-CB 3.17Å; T1179-I1183 WeakPolarHBondContact O-CG1 3.39Å; T1179-I1183 PolarHBondContact O-N 2.88Å; H1181-I1183 VanDerWaalsContact C-N 3.34Å; H1181-I1183 PolarHBondContact O-N 2.88Å; I1183-T1185 PolarHBondContact O-N 2.8Å; I1183-L1186 PolarHBondContact O-N 2.78Å; I1183-R1187 PolarHBondContact O-N 3.04Å; I1183-L1209 HydrophobicContact CB-CD1 4.32Å; I1183-L1209 HydrophobicContact CG1-CD1 4.27Å; I1183-L1209 HydrophobicContact CG2-CD1 4.03Å; I1183-L1212 HydrophobicContact CD1-CB 4.42Å; I1183-L1212 HydrophobicContact CG1-CB 4.09Å; I1183-L1212 HydrophobicContact CG1-CD1 4.19Å; I1183-P1214 HydrophobicContact CD1-CB 4.16Å; I1183-P1214 HydrophobicContact CG1-CB 4.41Å; I1183-P1214 HydrophobicContact CG2-CB 4.13Å
1184	L	84.8	Confident	86.2	Confident	37 Å²	37	33.8 Å²	33.8	19%	0.194	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-39.6	178.6	-65.8	170.3	0	0	0	112.3	W920 P1180 H1181 L1182 R1187 T1188	W920-L1184 HydrophobicContact CD2-CB 4.24Å; W920-L1184 HydrophobicContact CD2-CD1 4.11Å; W920-L1184 HydrophobicContact CE3-CB 3.88Å; W920-L1184 HydrophobicContact CH2-CB 3.92Å; W920-L1184 HydrophobicContact CH2-CD1 4.24Å; W920-L1184 HydrophobicContact CZ2-CB 4.28Å; W920-L1184 HydrophobicContact CZ2-CD1 3.75Å; W920-L1184 HydrophobicContact CZ3-CB 3.7Å; P1180-L1184 WeakPolarHBondContact O-CG 3.23Å; P1180-L1184 PolarHBondContact O-N 2.81Å; H1181-L1184 PolarHBondContact O-N 3.04Å; L1182-L1184 VanDerWaalsContact C-N 3.33Å; L1182-L1184 PolarHBondContact O-N 3.25Å; L1184-R1187 PolarHBondContact O-N 3.25Å; L1184-T1188 PolarHBondContact O-N 2.89Å; L1184-T1188 PolarHBondContact O-OG1 3.26Å
1185	T	87	Confident	86	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-33.7	175.7	67.5	0	0	0	0	113.5	W920 F1172 L1177 H1181 L1182 I1183 T1188 A1189	W920-T1185 HydrophobicContact CZ3-CG2 4.41Å; F1172-T1185 HydrophobicContact CD1-CG2 3.55Å; F1172-T1185 HydrophobicContact CD2-CG2 4.01Å; F1172-T1185 HydrophobicContact CE1-CG2 3.35Å; F1172-T1185 HydrophobicContact CE2-CG2 3.83Å; F1172-T1185 HydrophobicContact CG-CG2 3.87Å; F1172-T1185 HydrophobicContact CZ-CG2 3.5Å; L1177-T1185 HydrophobicContact CD1-CG2 3.61Å; H1181-T1185 WeakPolarHBondContact O-CG2 3.5Å; H1181-T1185 PolarHBondContact O-N 2.83Å; H1181-T1185 VanDerWaalsContact O-N 3.09Å; L1182-T1185 PolarHBondContact O-N 3.15Å; L1182-T1185 PolarHBondContact O-OG1 2.85Å; I1183-T1185 PolarHBondContact O-N 2.8Å; T1185-T1188 PolarHBondContact O-OG1 2.73Å; T1185-T1188 VanDerWaalsContact O-OG1 3.08Å; T1185-A1189 WeakPolarHBondContact O-CB 3.44Å; T1185-A1189 PolarHBondContact O-N 3.46Å
1186	L	87	Confident	86	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-72.4	-36.4	176.3	-81.3	161.4	0	0	0	111.5	T1173 L1182 I1183 A1189 L1190 M1205 R1208 L1209 L1212	T1173-L1186 HydrophobicContact CG2-CD2 3.77Å; T1173-L1186 HydrophobicContact CG2-CG 4.03Å; L1182-L1186 HydrophobicContact CD1-CD1 4.35Å; L1182-L1186 HydrophobicContact CG-CD1 4.11Å; L1182-L1186 PolarHBondContact O-N 2.93Å; I1183-L1186 PolarHBondContact O-N 2.78Å; L1186-A1189 PolarHBondContact O-N 3.25Å; L1186-L1190 WeakPolarHBondContact O-CB 3.26Å; L1186-L1190 PolarHBondContact O-N 3.43Å; L1186-M1205 HydrophobicContact CD2-CB 4.35Å; L1186-M1205 HydrophobicContact CD2-SD 3.75Å; L1186-R1208 HydrophobicContact CD1-CG 4.2Å; L1186-R1208 HydrophobicContact CD2-CB 4.4Å; L1186-R1208 HydrophobicContact CD2-CG 4.27Å; L1186-L1209 HydrophobicContact CB-CB 4.13Å; L1186-L1209 HydrophobicContact CB-CD1 3.99Å; L1186-L1209 HydrophobicContact CB-CG 4.43Å; L1186-L1212 HydrophobicContact CD1-CD1 3.48Å; L1186-L1212 VanDerWaalsContact CD1-CD1 3.48Å
1187	R	85.7	Confident	85.9	Confident	23 Å²	23	33.5 Å²	33.5	9%	0.087	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-46.8	173.2	-165.7	179.8	-174.7	-167.3	2.9	111.5	E917 A924 L926 I1183 L1184 N1191	E917-R1187 IonicContact OE1-CZ 3.59Å; E917-R1187 IonicContact OE1-NH1 2.73Å; E917-R1187 PolarHBondContact OE1-NH1 3.36Å; E917-R1187 IonicContact OE1-NH2 3.27Å; E917-R1187 PolarHBondContact OE1-NH2 3.32Å; A924-R1187 PolarHBondContact O-NE 3.4Å; L926-R1187 HydrophobicContact CD1-CG 4.02Å; L926-R1187 VanDerWaalsContact CD1-NE 3.34Å; I1183-R1187 PolarHBondContact O-N 3.04Å; L1184-R1187 PolarHBondContact O-N 3.25Å; R1187-N1191 PolarHBondContact O-N 3.17Å; R1187-N1191 PolarHBondContact O-ND2 3.12Å; R1187-N1191 PolarHBondContact O-OD1 2.83Å
1188	T	86.1	Confident	85.8	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-39.5	177.9	56.3	0	0	0	0	112.9	A924 L1184 T1185 N1191 L1192	A924-T1188 HydrophobicContact CB-CG2 3.91Å; L1184-T1188 PolarHBondContact O-N 2.89Å; L1184-T1188 PolarHBondContact O-OG1 3.26Å; T1185-T1188 PolarHBondContact O-OG1 2.73Å; T1185-T1188 VanDerWaalsContact O-OG1 3.08Å; T1188-N1191 PolarHBondContact O-N 2.85Å; T1188-L1192 WeakPolarHBondContact O-CG 3.35Å; T1188-L1192 PolarHBondContact O-N 3.42Å
1189	A	87	Confident	85.7	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-42.9	175.5	0	0	0	0	0	112.3	A1169 T1173 T1185 L1186 L1192 L1193	A1169-A1189 HydrophobicContact CB-CB 4.06Å; T1173-A1189 HydrophobicContact CG2-CB 3.63Å; T1185-A1189 WeakPolarHBondContact O-CB 3.44Å; T1185-A1189 PolarHBondContact O-N 3.46Å; L1186-A1189 PolarHBondContact O-N 3.25Å; A1189-L1192 PolarHBondContact O-N 2.89Å; A1189-L1193 WeakPolarHBondContact O-CB 3.48Å; A1189-L1193 VanDerWaalsContact O-CG 3.28Å; A1189-L1193 WeakPolarHBondContact O-CG 3.29Å; A1189-L1193 PolarHBondContact O-N 3.42Å
1190	L	86.7	Confident	85.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.2	-49.7	175.5	175.8	58.2	0	0	0	111.7	L1186 L1192 L1193 Y1194 A1202 A1206 L1209 T1222 I1225	L1186-L1190 WeakPolarHBondContact O-CB 3.26Å; L1186-L1190 PolarHBondContact O-N 3.43Å; L1190-L1192 PolarHBondContact O-N 3.32Å; L1190-L1193 PolarHBondContact O-N 2.75Å; L1190-Y1194 WeakPolarHBondContact O-CB 3.42Å; L1190-Y1194 PolarHBondContact O-N 3.13Å; L1190-A1202 HydrophobicContact CD1-CB 3.99Å; L1190-A1202 VanDerWaalsContact CD1-O 3.29Å; L1190-A1202 WeakPolarHBondContact CD1-O 3.27Å; L1190-A1206 HydrophobicContact CD1-CB 3.86Å; L1190-A1206 HydrophobicContact CD2-CB 4.07Å; L1190-L1209 HydrophobicContact CD2-CD2 4.21Å; L1190-T1222 HydrophobicContact CD2-CG2 4Å; L1190-I1225 HydrophobicContact CD1-CG2 3.94Å; L1190-I1225 HydrophobicContact CD2-CG2 4.5Å; L1190-I1225 HydrophobicContact CG-CG2 4.35Å
1191	N	84.6	Confident	85.8	Confident	9 Å²	9	33.1 Å²	33.1	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-43.2	-179.2	-69	-6.2	0	0	0	112.5	D923 A924 N925 L926 R1187 T1188 K1195	D923-N1191 WeakPolarHBondContact O-CB 3.26Å; D923-N1191 PolarHBondContact O-ND2 2.92Å; A924-N1191 PolarHBondContact O-ND2 2.79Å; A924-N1191 VanDerWaalsContact O-ND2 3.09Å; N925-N1191 PolarHBondContact O-ND2 3.47Å; L926-N1191 WeakPolarHBondContact CD2-OD1 3.5Å; R1187-N1191 PolarHBondContact O-N 3.17Å; R1187-N1191 PolarHBondContact O-ND2 3.12Å; R1187-N1191 PolarHBondContact O-OD1 2.83Å; T1188-N1191 PolarHBondContact O-N 2.85Å; N1191-K1195 WeakPolarHBondContact O-CB 3.11Å; N1191-K1195 WeakPolarHBondContact O-CG 3.1Å; N1191-K1195 PolarHBondContact O-N 3.12Å
1192	L	85.6	Confident	85.7	Confident	25 Å²	25	32.8 Å²	32.8	13%	0.131	14%	0.144	C	C	.	.	H	α-helix	trans	-68.5	-40.6	-179.8	-68.4	166.2	0	0	0	112	A1166 A1169 T1188 A1189 L1190 L1196	A1166-L1192 HydrophobicContact CB-CB 4.13Å; A1169-L1192 HydrophobicContact CB-CD1 3.6Å; T1188-L1192 WeakPolarHBondContact O-CG 3.35Å; T1188-L1192 PolarHBondContact O-N 3.42Å; A1189-L1192 PolarHBondContact O-N 2.89Å; L1190-L1192 PolarHBondContact O-N 3.32Å; L1192-L1196 WeakPolarHBondContact O-CB 3.4Å; L1192-L1196 PolarHBondContact O-N 2.98Å
1193	L	86.6	Confident	85.6	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-40.9	175.7	-69.8	168.2	0	0	0	112.1	A1166 A1189 L1190 L1196 K1197 N1198 A1202 M1205 L1241	A1166-L1193 HydrophobicContact CB-CD2 4.48Å; A1189-L1193 WeakPolarHBondContact O-CB 3.48Å; A1189-L1193 VanDerWaalsContact O-CG 3.28Å; A1189-L1193 WeakPolarHBondContact O-CG 3.29Å; A1189-L1193 PolarHBondContact O-N 3.42Å; L1190-L1193 PolarHBondContact O-N 2.75Å; L1193-L1196 PolarHBondContact O-N 2.96Å; L1193-K1197 PolarHBondContact O-N 3.37Å; L1193-N1198 HydrophobicContact CB-CB 4.49Å; L1193-N1198 HydrophobicContact CD2-CB 4.09Å; L1193-N1198 PolarHBondContact O-N 3.33Å; L1193-A1202 HydrophobicContact CB-CB 3.86Å; L1193-M1205 HydrophobicContact CD1-CB 4.39Å; L1193-M1205 HydrophobicContact CD1-CE 4.5Å; L1193-M1205 HydrophobicContact CD1-CG 3.57Å; L1193-L1241 HydrophobicContact CD2-CD1 3.59Å
1194	Y	84.4	Confident	85.8	Confident	63 Å²	63	33.1 Å²	33.1	25%	0.247	15%	0.148	C	C	.	.	H	α-helix	trans	-65.3	-46.8	176.8	-172.6	-108.2	0	0	0	111.8	L1190 L1196 K1197 Y1199 I1225 A1228	L1190-Y1194 WeakPolarHBondContact O-CB 3.42Å; L1190-Y1194 PolarHBondContact O-N 3.13Å; Y1194-L1196 VanDerWaalsContact C-N 3.25Å; Y1194-L1196 PolarHBondContact O-N 3.3Å; Y1194-K1197 PolarHBondContact O-N 3.22Å; Y1194-Y1199 HydrophobicContact CD2-CD1 4.23Å; Y1194-Y1199 HydrophobicContact CD2-CE1 4.16Å; Y1194-Y1199 HydrophobicContact CE2-CD1 4.25Å; Y1194-Y1199 AromaticContact CE2-CE1 3.95Å; Y1194-Y1199 HydrophobicContact CE2-CE1 3.95Å; Y1194-I1225 HydrophobicContact CD2-CG2 3.82Å; Y1194-I1225 HydrophobicContact CE2-CG2 4.19Å; Y1194-I1225 HydrophobicContact CG-CG2 4.14Å; Y1194-A1228 HydrophobicContact CE2-CB 4.22Å
1195	K	83.9	Confident	86	Confident	123 Å²	123	31.5 Å²	31.5	54%	0.535	14%	0.139	S	C	.	.	H	α-helix	trans	-65	-26.1	176.5	-70.4	-174.7	175.9	-172.7	0	112.6	E927 N1191 K1197	E927-K1195 IonicContact OE2-NZ 2.73Å; E927-K1195 PolarHBondContact OE2-NZ 3.21Å; N1191-K1195 WeakPolarHBondContact O-CB 3.11Å; N1191-K1195 WeakPolarHBondContact O-CG 3.1Å; N1191-K1195 PolarHBondContact O-N 3.12Å; K1195-K1197 VanDerWaalsContact C-N 3.35Å
1196	L	84.7	Confident	86	Confident	14 Å²	14	31.5 Å²	31.5	7%	0.073	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.4	169.4	-83.1	178.9	0	0	0	115.3	Q1162 A1166 L1192 L1193 Y1194 N1198	Q1162-L1196 HydrophobicContact CB-CD2 3.9Å; A1166-L1196 HydrophobicContact CB-CD1 3.4Å; A1166-L1196 VanDerWaalsContact CB-CD1 3.4Å; L1192-L1196 WeakPolarHBondContact O-CB 3.4Å; L1192-L1196 PolarHBondContact O-N 2.98Å; L1193-L1196 PolarHBondContact O-N 2.96Å; Y1194-L1196 VanDerWaalsContact C-N 3.25Å; Y1194-L1196 PolarHBondContact O-N 3.3Å; L1196-N1198 PolarHBondContact O-N 3.4Å
1197	K	85.4	Confident	86.1	Confident	120 Å²	120	36.2 Å²	36.2	52%	0.522	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	33.8	-173.9	-52	-172	-177.8	-177.2	0	113.4	L1193 Y1194 K1195 Y1199 S1238	L1193-K1197 PolarHBondContact O-N 3.37Å; Y1194-K1197 PolarHBondContact O-N 3.22Å; K1195-K1197 VanDerWaalsContact C-N 3.35Å; K1197-Y1199 HydrophobicContact CB-CD2 4.45Å; K1197-Y1199 HydrophobicContact CB-CE2 3.68Å; K1197-Y1199 HydrophobicContact CG-CE2 4.34Å; K1197-Y1199 WeakPolarHBondContact CG-OH 3.46Å; K1197-Y1199 WeakPolarHBondContact O-CD2 3.23Å; K1197-Y1199 PolarHBondContact O-N 2.98Å; K1197-S1238 WeakPolarHBondContact CB-OG 3.4Å; K1197-S1238 WeakPolarHBondContact O-CB 3.35Å; K1197-S1238 PolarHBondContact O-N 2.73Å; K1197-S1238 PolarHBondContact O-OG 3.09Å
1198	N	85.6	Confident	86.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-93.9	71.3	169.1	-82.7	13.9	0	0	0	109.3	L1193 L1196 R1200 S1201 A1202 D1237 S1238 H1239	L1193-N1198 HydrophobicContact CB-CB 4.49Å; L1193-N1198 HydrophobicContact CD2-CB 4.09Å; L1193-N1198 PolarHBondContact O-N 3.33Å; L1196-N1198 PolarHBondContact O-N 3.4Å; N1198-R1200 PolarHBondContact O-N 3.05Å; N1198-S1201 PolarHBondContact O-N 3.46Å; N1198-A1202 WeakPolarHBondContact O-CB 3.27Å; N1198-A1202 PolarHBondContact O-N 2.82Å; N1198-D1237 WeakPolarHBondContact CA-OD1 3.38Å; N1198-D1237 HydrophobicContact CB-CB 4.09Å; N1198-D1237 WeakPolarHBondContact CB-OD1 3.24Å; N1198-S1238 PolarHBondContact OD1-N 3.01Å; N1198-H1239 PolarHBondContact ND2-O 2.94Å; N1198-H1239 PolarHBondContact OD1-N 3.37Å; N1198-H1239 PolarHBondContact OD1-O 2.78Å
1199	Y	86.4	Confident	86.3	Confident	41 Å²	41	38.5 Å²	38.5	16%	0.161	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-35.2	-170.2	-60.2	-68.7	0	0	0	113.7	Y1194 K1197 A1203 C1229 V1232 D1237	Y1194-Y1199 HydrophobicContact CD2-CD1 4.23Å; Y1194-Y1199 HydrophobicContact CD2-CE1 4.16Å; Y1194-Y1199 HydrophobicContact CE2-CD1 4.25Å; Y1194-Y1199 AromaticContact CE2-CE1 3.95Å; Y1194-Y1199 HydrophobicContact CE2-CE1 3.95Å; K1197-Y1199 HydrophobicContact CB-CD2 4.45Å; K1197-Y1199 HydrophobicContact CB-CE2 3.68Å; K1197-Y1199 HydrophobicContact CG-CE2 4.34Å; K1197-Y1199 WeakPolarHBondContact CG-OH 3.46Å; K1197-Y1199 WeakPolarHBondContact O-CD2 3.23Å; K1197-Y1199 PolarHBondContact O-N 2.98Å; Y1199-A1203 VanDerWaalsContact O-CB 3.25Å; Y1199-A1203 WeakPolarHBondContact O-CB 3.37Å; Y1199-A1203 PolarHBondContact O-N 3.34Å; Y1199-C1229 HydrophobicContact CD1-CB 4.43Å; Y1199-C1229 WeakPolarHBondContact O-CB 3.4Å; Y1199-V1232 HydrophobicContact CD1-CG2 4.37Å; Y1199-V1232 HydrophobicContact CD2-CB 4.28Å; Y1199-V1232 HydrophobicContact CD2-CG1 3.82Å; Y1199-V1232 HydrophobicContact CD2-CG2 4.44Å; Y1199-V1232 HydrophobicContact CE1-CG2 4.22Å; Y1199-V1232 HydrophobicContact CE2-CB 4.49Å; Y1199-V1232 HydrophobicContact CE2-CG1 3.9Å; Y1199-V1232 HydrophobicContact CE2-CG2 4.28Å; Y1199-V1232 HydrophobicContact CG-CB 4.4Å; Y1199-V1232 HydrophobicContact CG-CG1 4.43Å; Y1199-V1232 HydrophobicContact CG-CG2 4.48Å; Y1199-D1237 PolarHBondContact N-OD1 3.35Å
1200	R	85.1	Confident	86.2	Confident	161 Å²	161	40.2 Å²	40.2	61%	0.608	18%	0.175	S	C	*	.	H	α-helix	trans	-72.7	-42.6	-179.8	178.2	178.7	175.5	168	-1.8	111	N1198 T1204 D1237	N1198-R1200 PolarHBondContact O-N 3.05Å; R1200-T1204 PolarHBondContact O-N 2.94Å; R1200-T1204 PolarHBondContact O-OG1 3.46Å; R1200-D1237 WeakPolarHBondContact CA-OD1 3.2Å; R1200-D1237 WeakPolarHBondContact CB-OD1 3.48Å; R1200-D1237 PolarHBondContact N-OD1 2.92Å
1201	S	85.4	Confident	86.2	Confident	19 Å²	19	46.6 Å²	46.6	13%	0.133	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-41.8	173	-73.2	0	0	0	0	111.8	N1198 T1204 M1205 D1237	N1198-S1201 PolarHBondContact O-N 3.46Å; S1201-T1204 PolarHBondContact O-N 2.77Å; S1201-M1205 PolarHBondContact O-N 3.04Å; S1201-D1237 WeakPolarHBondContact CB-OD2 3.26Å; S1201-D1237 PolarHBondContact N-OD1 3.45Å; S1201-D1237 PolarHBondContact N-OD2 2.93Å; S1201-D1237 PolarHBondContact OG-OD2 2.84Å
1202	A	86.2	Confident	86.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-48.8	175.1	0	0	0	0	0	111.5	L1190 L1193 N1198 T1204 M1205 A1206	L1190-A1202 HydrophobicContact CD1-CB 3.99Å; L1190-A1202 VanDerWaalsContact CD1-O 3.29Å; L1190-A1202 WeakPolarHBondContact CD1-O 3.27Å; L1193-A1202 HydrophobicContact CB-CB 3.86Å; N1198-A1202 WeakPolarHBondContact O-CB 3.27Å; N1198-A1202 PolarHBondContact O-N 2.82Å; A1202-T1204 VanDerWaalsContact C-N 3.28Å; A1202-T1204 PolarHBondContact O-N 2.85Å; A1202-M1205 PolarHBondContact O-N 3.19Å; A1202-M1205 VanDerWaalsContact O-N 3.09Å; A1202-A1206 WeakPolarHBondContact O-CB 2.99Å; A1202-A1206 PolarHBondContact O-N 2.94Å
1203	A	86	Confident	86.1	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-58	-38.5	176.1	0	0	0	0	0	112.5	Y1199 A1206 R1207 L1226 C1229	Y1199-A1203 VanDerWaalsContact O-CB 3.25Å; Y1199-A1203 WeakPolarHBondContact O-CB 3.37Å; Y1199-A1203 PolarHBondContact O-N 3.34Å; A1203-A1206 PolarHBondContact O-N 3.44Å; A1203-R1207 WeakPolarHBondContact O-CG 3.15Å; A1203-R1207 PolarHBondContact O-N 2.99Å; A1203-L1226 HydrophobicContact CB-CD1 3.68Å; A1203-C1229 HydrophobicContact CB-CB 3.98Å
1204	T	87.7	Confident	85.8	Confident	57 Å²	57	52.2 Å²	52.2	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-41.1	174.8	-64.4	0	0	0	0	112.4	R1200 S1201 A1202 R1208	R1200-T1204 PolarHBondContact O-N 2.94Å; R1200-T1204 PolarHBondContact O-OG1 3.46Å; S1201-T1204 PolarHBondContact O-N 2.77Å; A1202-T1204 VanDerWaalsContact C-N 3.28Å; A1202-T1204 PolarHBondContact O-N 2.85Å; T1204-R1208 WeakPolarHBondContact O-CB 3.35Å; T1204-R1208 PolarHBondContact O-N 3Å
1205	M	88.4	Confident	85.7	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-68.7	-37.8	174	-65.8	-56.7	-165.6	0	0	112.4	C1170 T1173 L1186 L1193 S1201 A1202 R1208 L1209 Y1243	C1170-M1205 HydrophobicContact CB-CE 3.85Å; T1173-M1205 HydrophobicContact CG2-CE 4.21Å; T1173-M1205 HydrophobicContact CG2-SD 4.35Å; L1186-M1205 HydrophobicContact CD2-CB 4.35Å; L1186-M1205 HydrophobicContact CD2-SD 3.75Å; L1193-M1205 HydrophobicContact CD1-CB 4.39Å; L1193-M1205 HydrophobicContact CD1-CE 4.5Å; L1193-M1205 HydrophobicContact CD1-CG 3.57Å; S1201-M1205 PolarHBondContact O-N 3.04Å; A1202-M1205 PolarHBondContact O-N 3.19Å; A1202-M1205 VanDerWaalsContact O-N 3.09Å; M1205-R1208 PolarHBondContact O-N 2.85Å; M1205-L1209 WeakPolarHBondContact O-CB 3.33Å; M1205-L1209 PolarHBondContact O-N 3.15Å; M1205-Y1243 HydrophobicContact CE-CE1 3.97Å; M1205-Y1243 WeakPolarHBondContact CE-OH 3.39Å
1206	A	86.6	Confident	85.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-42.4	177.6	0	0	0	0	0	112.5	L1190 A1202 A1203 L1209 L1210 T1222 L1226	L1190-A1206 HydrophobicContact CD1-CB 3.86Å; L1190-A1206 HydrophobicContact CD2-CB 4.07Å; A1202-A1206 WeakPolarHBondContact O-CB 2.99Å; A1202-A1206 PolarHBondContact O-N 2.94Å; A1203-A1206 PolarHBondContact O-N 3.44Å; A1206-L1209 PolarHBondContact O-N 3.32Å; A1206-L1210 WeakPolarHBondContact O-CG 3.47Å; A1206-L1210 PolarHBondContact O-N 3.31Å; A1206-T1222 HydrophobicContact CB-CG2 3.72Å; A1206-T1222 WeakPolarHBondContact O-CG2 3.25Å; A1206-L1226 HydrophobicContact CB-CB 4.11Å; A1206-L1226 HydrophobicContact CB-CD1 4.2Å
1207	R	89.8	Confident	85.2	Confident	100 Å²	100	59.1 Å²	59.1	38%	0.377	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-50.7	173.5	-67.5	178.8	-154.3	112.4	-2.4	110.8	A1203 L1209 L1210 D1211 L1226 E1230	A1203-R1207 WeakPolarHBondContact O-CG 3.15Å; A1203-R1207 PolarHBondContact O-N 2.99Å; R1207-L1209 PolarHBondContact O-N 2.88Å; R1207-L1210 WeakPolarHBondContact O-CA 3.48Å; R1207-L1210 WeakPolarHBondContact O-CB 3.31Å; R1207-L1210 PolarHBondContact O-N 2.53Å; R1207-D1211 VanDerWaalsContact O-CG 3.22Å; R1207-D1211 PolarHBondContact O-N 2.84Å; R1207-L1226 HydrophobicContact CG-CD1 4.02Å; R1207-L1226 HydrophobicContact CG-CD2 3.89Å; R1207-E1230 IonicContact CZ-OE1 3.63Å; R1207-E1230 IonicContact NE-OE1 3.43Å; R1207-E1230 PolarHBondContact NE-OE1 3.41Å; R1207-E1230 IonicContact NH2-OE1 2.74Å; R1207-E1230 PolarHBondContact NH2-OE1 2.88Å
1208	R	88.4	Confident	84.9	Confident	72 Å²	72	54 Å²	54	27%	0.272	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-31.6	177.1	-172.9	178.5	175.3	-146.8	-5.3	113.5	T1173 L1186 T1204 M1205	T1173-R1208 VanDerWaalsContact O-CZ 3.26Å; T1173-R1208 PolarHBondContact O-NH1 2.91Å; T1173-R1208 PolarHBondContact O-NH2 2.9Å; T1173-R1208 PolarHBondContact OG1-NH1 2.82Å; L1186-R1208 HydrophobicContact CD1-CG 4.2Å; L1186-R1208 HydrophobicContact CD2-CB 4.4Å; L1186-R1208 HydrophobicContact CD2-CG 4.27Å; T1204-R1208 WeakPolarHBondContact O-CB 3.35Å; T1204-R1208 PolarHBondContact O-N 3Å; M1205-R1208 PolarHBondContact O-N 2.85Å
1209	L	87	Confident	84.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.7	-43.1	172.8	177.4	53.5	0	0	0	111.4	I1183 L1186 L1190 M1205 A1206 R1207 L1212 P1214 V1218 T1222	I1183-L1209 HydrophobicContact CB-CD1 4.32Å; I1183-L1209 HydrophobicContact CG1-CD1 4.27Å; I1183-L1209 HydrophobicContact CG2-CD1 4.03Å; L1186-L1209 HydrophobicContact CB-CB 4.13Å; L1186-L1209 HydrophobicContact CB-CD1 3.99Å; L1186-L1209 HydrophobicContact CB-CG 4.43Å; L1190-L1209 HydrophobicContact CD2-CD2 4.21Å; M1205-L1209 WeakPolarHBondContact O-CB 3.33Å; M1205-L1209 PolarHBondContact O-N 3.15Å; A1206-L1209 PolarHBondContact O-N 3.32Å; R1207-L1209 PolarHBondContact O-N 2.88Å; L1209-L1212 PolarHBondContact O-N 2.9Å; L1209-P1214 HydrophobicContact CD1-CB 4.36Å; L1209-P1214 HydrophobicContact CD1-CG 4.25Å; L1209-P1214 HydrophobicContact CG-CG 4.4Å; L1209-P1214 WeakPolarHBondContact O-CD 3.47Å; L1209-V1218 HydrophobicContact CD2-CG1 4.43Å; L1209-T1222 HydrophobicContact CB-CG2 4.31Å; L1209-T1222 HydrophobicContact CD2-CG2 3.98Å; L1209-T1222 WeakPolarHBondContact CD2-OG1 3.36Å; L1209-T1222 HydrophobicContact CG-CG2 4.24Å
1210	L	86.4	Confident	84.4	Confident	37 Å²	37	58 Å²	58	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-66.3	-34.9	176.3	-68.8	168.5	0	0	0	112.8	A1206 R1207 L1212 A1213 A1219 T1222 R1223 L1226	A1206-L1210 WeakPolarHBondContact O-CG 3.47Å; A1206-L1210 PolarHBondContact O-N 3.31Å; R1207-L1210 WeakPolarHBondContact O-CA 3.48Å; R1207-L1210 WeakPolarHBondContact O-CB 3.31Å; R1207-L1210 PolarHBondContact O-N 2.53Å; L1210-L1212 PolarHBondContact O-N 2.82Å; L1210-A1213 PolarHBondContact O-N 3Å; L1210-A1213 VanDerWaalsContact O-N 3.08Å; L1210-A1219 HydrophobicContact CD2-CB 3.97Å; L1210-T1222 HydrophobicContact CD1-CG2 4.18Å; L1210-T1222 HydrophobicContact CD2-CG2 4.14Å; L1210-T1222 HydrophobicContact CG-CG2 3.8Å; L1210-R1223 HydrophobicContact CD1-CG 3.86Å; L1210-R1223 HydrophobicContact CD2-CG 4.06Å; L1210-L1226 HydrophobicContact CD1-CD2 4.05Å
1211	D	86.8	Confident	84.2	Confident	133 Å²	133	53.5 Å²	53.5	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.7	176.6	-63.8	-33.9	0	0	0	113.2	R1207	R1207-D1211 VanDerWaalsContact O-CG 3.22Å; R1207-D1211 PolarHBondContact O-N 2.84Å
1212	L	84.6	Confident	84.1	Confident	50 Å²	50	52.6 Å²	52.6	26%	0.262	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	4.6	176.7	-63.7	175.9	0	0	0	114.1	T1179 L1182 I1183 L1186 L1209 L1210	T1179-L1212 HydrophobicContact CG2-CB 4.31Å; T1179-L1212 HydrophobicContact CG2-CD2 4.41Å; L1182-L1212 HydrophobicContact CB-CD1 4.4Å; L1182-L1212 HydrophobicContact CD2-CD1 3.67Å; L1182-L1212 HydrophobicContact CD2-CD2 4.26Å; L1182-L1212 HydrophobicContact CG-CD1 3.74Å; I1183-L1212 HydrophobicContact CD1-CB 4.42Å; I1183-L1212 HydrophobicContact CG1-CB 4.09Å; I1183-L1212 HydrophobicContact CG1-CD1 4.19Å; L1186-L1212 HydrophobicContact CD1-CD1 3.48Å; L1186-L1212 VanDerWaalsContact CD1-CD1 3.48Å; L1209-L1212 PolarHBondContact O-N 2.9Å; L1210-L1212 PolarHBondContact O-N 2.82Å
1213	A	82.5	Confident	84.1	Confident	86 Å²	86	59.2 Å²	59.2	71%	0.711	30%	0.303	S	S	*	.			trans	49.7	60.4	-178.7	0	0	0	0	0	114.7	L1210	L1210-A1213 PolarHBondContact O-N 3Å; L1210-A1213 VanDerWaalsContact O-N 3.08Å
1214	P	81.4	Confident	83.9	Confident	16 Å²	16	64.1 Å²	64.1	10%	0.104	33%	0.325	C	S	.	.			trans	-69.9	171.8	177.2	32.1	-35.9	0	0	0	111.8	I1183 L1209 V1218 A1219	I1183-P1214 HydrophobicContact CD1-CB 4.16Å; I1183-P1214 HydrophobicContact CG1-CB 4.41Å; I1183-P1214 HydrophobicContact CG2-CB 4.13Å; L1209-P1214 HydrophobicContact CD1-CB 4.36Å; L1209-P1214 HydrophobicContact CD1-CG 4.25Å; L1209-P1214 HydrophobicContact CG-CG 4.4Å; L1209-P1214 WeakPolarHBondContact O-CD 3.47Å; P1214-V1218 HydrophobicContact CB-CB 4.34Å; P1214-V1218 HydrophobicContact CB-CG1 4.07Å; P1214-V1218 HydrophobicContact CG-CG1 4.37Å; P1214-A1219 HydrophobicContact CG-CB 4.27Å
1215	S	81.4	Confident	83.6	Confident	73 Å²	73	61.6 Å²	61.6	51%	0.51	31%	0.309	S	S	.	.			trans	-53.6	151	178.1	63.2	0	0	0	0	112.5	E1217 V1218 A1219	S1215-E1217 VanDerWaalsContact C-N 3.26Å; S1215-E1217 PolarHBondContact O-N 2.75Å; S1215-E1217 VanDerWaalsContact O-N 3.16Å; S1215-V1218 PolarHBondContact O-N 2.87Å; S1215-V1218 VanDerWaalsContact O-N 3.1Å; S1215-V1218 WeakPolarHBondContact OG-CG2 3.45Å; S1215-A1219 WeakPolarHBondContact O-CB 3.28Å; S1215-A1219 PolarHBondContact O-N 2.88Å
1216	I	78.8	Confident	83.4	Confident	131 Å²	131	62.5 Å²	62.5	67%	0.672	31%	0.313	S	S	*	.	H	α-helix	trans	-54.4	-42.2	-169.8	-63.4	172.6	0	0	0	111.9	A1219 Q1220	I1216-A1219 PolarHBondContact O-N 3.09Å; I1216-Q1220 VanDerWaalsContact O-CG 3.3Å; I1216-Q1220 WeakPolarHBondContact O-CG 3.44Å; I1216-Q1220 PolarHBondContact O-N 3.08Å
1217	E	80.1	Confident	83.1	Confident	142 Å²	142	68.8 Å²	68.8	66%	0.664	34%	0.343	S	S	*	.	H	α-helix	trans	-64.5	-49.5	178.6	-61.1	173.6	172	0	0	112.1	S1215 A1219 Q1220 Q1221	S1215-E1217 VanDerWaalsContact C-N 3.26Å; S1215-E1217 PolarHBondContact O-N 2.75Å; S1215-E1217 VanDerWaalsContact O-N 3.16Å; E1217-A1219 VanDerWaalsContact C-N 3.28Å; E1217-A1219 PolarHBondContact O-N 2.88Å; E1217-Q1220 PolarHBondContact O-N 3.31Å; E1217-Q1220 VanDerWaalsContact O-N 3.16Å; E1217-Q1221 WeakPolarHBondContact O-CG 3.33Å; E1217-Q1221 PolarHBondContact O-N 2.9Å
1218	V	78.6	Confident	82.7	Confident	11 Å²	11	65.2 Å²	65.2	7%	0.067	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-38.2	176.9	175.7	0	0	0	0	110.3	L1209 P1214 S1215 T1222	L1209-V1218 HydrophobicContact CD2-CG1 4.43Å; P1214-V1218 HydrophobicContact CB-CB 4.34Å; P1214-V1218 HydrophobicContact CB-CG1 4.07Å; P1214-V1218 HydrophobicContact CG-CG1 4.37Å; S1215-V1218 PolarHBondContact O-N 2.87Å; S1215-V1218 VanDerWaalsContact O-N 3.1Å; S1215-V1218 WeakPolarHBondContact OG-CG2 3.45Å; V1218-T1222 WeakPolarHBondContact O-CB 2.96Å; V1218-T1222 PolarHBondContact O-N 2.9Å; V1218-T1222 PolarHBondContact O-OG1 2.88Å
1219	A	79.3	Confident	82.3	Confident	8 Å²	8	61.8 Å²	61.8	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-65.5	-38.7	174.7	0	0	0	0	0	112.6	L1210 P1214 S1215 I1216 E1217 R1223	L1210-A1219 HydrophobicContact CD2-CB 3.97Å; P1214-A1219 HydrophobicContact CG-CB 4.27Å; S1215-A1219 WeakPolarHBondContact O-CB 3.28Å; S1215-A1219 PolarHBondContact O-N 2.88Å; I1216-A1219 PolarHBondContact O-N 3.09Å; E1217-A1219 VanDerWaalsContact C-N 3.28Å; E1217-A1219 PolarHBondContact O-N 2.88Å; A1219-R1223 WeakPolarHBondContact O-CB 3.36Å; A1219-R1223 WeakPolarHBondContact O-CD 3.24Å; A1219-R1223 WeakPolarHBondContact O-CG 3.36Å; A1219-R1223 PolarHBondContact O-N 2.9Å
1220	Q	81.7	Confident	82	Confident	119 Å²	119	66 Å²	66	56%	0.556	34%	0.342	S	S	*	.	H	α-helix	trans	-67.1	-48.1	174.5	-74.1	176.9	18.1	0	0	111.9	I1216 E1217 T1222 R1223 K1224	I1216-Q1220 VanDerWaalsContact O-CG 3.3Å; I1216-Q1220 WeakPolarHBondContact O-CG 3.44Å; I1216-Q1220 PolarHBondContact O-N 3.08Å; E1217-Q1220 PolarHBondContact O-N 3.31Å; E1217-Q1220 VanDerWaalsContact O-N 3.16Å; Q1220-T1222 VanDerWaalsContact C-N 3.35Å; Q1220-T1222 PolarHBondContact O-N 2.85Å; Q1220-R1223 PolarHBondContact O-N 3Å; Q1220-K1224 PolarHBondContact O-N 3.1Å
1221	Q	80.8	Confident	81.6	Confident	66 Å²	66	68.4 Å²	68.4	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-42.9	176.9	-68.5	171.2	-3	0	0	111.4	L926 E1217 R1223 K1224 I1225	L926-Q1221 HydrophobicContact CB-CB 4.43Å; L926-Q1221 HydrophobicContact CD1-CB 3.88Å; E1217-Q1221 WeakPolarHBondContact O-CG 3.33Å; E1217-Q1221 PolarHBondContact O-N 2.9Å; Q1221-R1223 VanDerWaalsContact C-N 3.33Å; Q1221-R1223 PolarHBondContact O-N 3.08Å; Q1221-K1224 PolarHBondContact O-N 3.27Å; Q1221-I1225 PolarHBondContact O-N 2.78Å
1222	T	83.4	Confident	81	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-36.9	175.9	-57.5	0	0	0	0	111.9	L1190 A1206 L1209 L1210 V1218 Q1220 I1225 L1226	L1190-T1222 HydrophobicContact CD2-CG2 4Å; A1206-T1222 HydrophobicContact CB-CG2 3.72Å; A1206-T1222 WeakPolarHBondContact O-CG2 3.25Å; L1209-T1222 HydrophobicContact CB-CG2 4.31Å; L1209-T1222 HydrophobicContact CD2-CG2 3.98Å; L1209-T1222 WeakPolarHBondContact CD2-OG1 3.36Å; L1209-T1222 HydrophobicContact CG-CG2 4.24Å; L1210-T1222 HydrophobicContact CD1-CG2 4.18Å; L1210-T1222 HydrophobicContact CD2-CG2 4.14Å; L1210-T1222 HydrophobicContact CG-CG2 3.8Å; V1218-T1222 WeakPolarHBondContact O-CB 2.96Å; V1218-T1222 PolarHBondContact O-N 2.9Å; V1218-T1222 PolarHBondContact O-OG1 2.88Å; Q1220-T1222 VanDerWaalsContact C-N 3.35Å; Q1220-T1222 PolarHBondContact O-N 2.85Å; T1222-I1225 PolarHBondContact O-N 2.86Å; T1222-L1226 WeakPolarHBondContact O-CB 3.2Å; T1222-L1226 PolarHBondContact O-N 2.59Å
1223	R	85.8	Confident	79.9	Confident	138 Å²	138	67.9 Å²	67.9	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-41.2	173.6	-75.2	166.8	-174.3	150.6	3.4	112.6	L1210 A1219 Q1220 Q1221 I1225 L1226 Q1227	L1210-R1223 HydrophobicContact CD1-CG 3.86Å; L1210-R1223 HydrophobicContact CD2-CG 4.06Å; A1219-R1223 WeakPolarHBondContact O-CB 3.36Å; A1219-R1223 WeakPolarHBondContact O-CD 3.24Å; A1219-R1223 WeakPolarHBondContact O-CG 3.36Å; A1219-R1223 PolarHBondContact O-N 2.9Å; Q1220-R1223 PolarHBondContact O-N 3Å; Q1221-R1223 VanDerWaalsContact C-N 3.33Å; Q1221-R1223 PolarHBondContact O-N 3.08Å; R1223-I1225 PolarHBondContact O-N 3.37Å; R1223-L1226 PolarHBondContact O-N 3.33Å; R1223-Q1227 WeakPolarHBondContact O-CG 3.43Å; R1223-Q1227 PolarHBondContact O-N 3.22Å
1224	K	83.4	Confident	78.8	Confident	105 Å²	105	68.2 Å²	68.2	46%	0.457	36%	0.36	S	S	.	.	H	α-helix	trans	-55.9	-48.9	171.9	-81.5	-165.1	172.3	-168.8	0	110.6	L928 E930 Q1220 Q1221 Q1227 A1228	L928-K1224 HydrophobicContact CD1-CB 4.07Å; L928-K1224 HydrophobicContact CD1-CD 3.59Å; L928-K1224 HydrophobicContact CD1-CG 4.49Å; E930-K1224 IonicContact OE1-NZ 3.38Å; E930-K1224 PolarHBondContact OE1-NZ 2.82Å; Q1220-K1224 PolarHBondContact O-N 3.1Å; Q1221-K1224 PolarHBondContact O-N 3.27Å; K1224-Q1227 PolarHBondContact O-N 2.9Å; K1224-A1228 PolarHBondContact O-N 2.86Å
1225	I	80.5	Confident	78.2	Confident	4 Å²	4	70 Å²	70	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-67.6	-38.8	179	-68.7	-174.1	0	0	0	112.4	L926 L928 L1190 Y1194 Q1221 T1222 R1223 Q1227 A1228 C1229	L926-I1225 HydrophobicContact CD2-CD1 3.31Å; L928-I1225 HydrophobicContact CD2-CG1 4.05Å; L1190-I1225 HydrophobicContact CD1-CG2 3.94Å; L1190-I1225 HydrophobicContact CD2-CG2 4.5Å; L1190-I1225 HydrophobicContact CG-CG2 4.35Å; Y1194-I1225 HydrophobicContact CD2-CG2 3.82Å; Y1194-I1225 HydrophobicContact CE2-CG2 4.19Å; Y1194-I1225 HydrophobicContact CG-CG2 4.14Å; Q1221-I1225 PolarHBondContact O-N 2.78Å; T1222-I1225 PolarHBondContact O-N 2.86Å; R1223-I1225 PolarHBondContact O-N 3.37Å; I1225-Q1227 VanDerWaalsContact C-N 3.34Å; I1225-Q1227 PolarHBondContact O-N 2.77Å; I1225-A1228 PolarHBondContact O-N 2.94Å; I1225-C1229 PolarHBondContact O-N 3.48Å; I1225-C1229 PolarHBondContact O-SG 3.36Å
1226	L	83.5	Confident	78.1	Confident	21 Å²	21	72.6 Å²	72.6	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-45.2	175.7	-179.5	58.9	0	0	0	111.1	A1203 A1206 R1207 L1210 T1222 R1223 A1228 C1229 E1230	A1203-L1226 HydrophobicContact CB-CD1 3.68Å; A1206-L1226 HydrophobicContact CB-CB 4.11Å; A1206-L1226 HydrophobicContact CB-CD1 4.2Å; R1207-L1226 HydrophobicContact CG-CD1 4.02Å; R1207-L1226 HydrophobicContact CG-CD2 3.89Å; L1210-L1226 HydrophobicContact CD1-CD2 4.05Å; T1222-L1226 WeakPolarHBondContact O-CB 3.2Å; T1222-L1226 PolarHBondContact O-N 2.59Å; R1223-L1226 PolarHBondContact O-N 3.33Å; L1226-A1228 PolarHBondContact O-N 2.91Å; L1226-C1229 PolarHBondContact O-N 2.76Å; L1226-E1230 HydrophobicContact CD1-CG 4.17Å; L1226-E1230 WeakPolarHBondContact CD1-OE1 3.22Å; L1226-E1230 WeakPolarHBondContact O-CB 3.44Å; L1226-E1230 WeakPolarHBondContact O-CG 3.34Å; L1226-E1230 PolarHBondContact O-N 2.82Å
1227	Q	81.6	Confident	78.2	Confident	132 Å²	132	68.7 Å²	68.7	62%	0.617	35%	0.353	S	S	*	.	H	α-helix	trans	-62.6	-38.9	174.6	-72.7	175.7	-20.6	0	0	112.5	R1223 K1224 I1225 E1230 S1231	R1223-Q1227 WeakPolarHBondContact O-CG 3.43Å; R1223-Q1227 PolarHBondContact O-N 3.22Å; K1224-Q1227 PolarHBondContact O-N 2.9Å; I1225-Q1227 VanDerWaalsContact C-N 3.34Å; I1225-Q1227 PolarHBondContact O-N 2.77Å; Q1227-E1230 PolarHBondContact O-N 3.11Å; Q1227-S1231 WeakPolarHBondContact O-CB 3.4Å; Q1227-S1231 PolarHBondContact O-N 3.42Å; Q1227-S1231 PolarHBondContact O-OG 3.43Å
1228	A	80.8	Confident	78.1	Confident	25 Å²	25	65.2 Å²	65.2	21%	0.207	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-40.6	174.3	0	0	0	0	0	112.4	Y1194 K1224 I1225 L1226 E1230 S1231 V1232	Y1194-A1228 HydrophobicContact CE2-CB 4.22Å; K1224-A1228 PolarHBondContact O-N 2.86Å; I1225-A1228 PolarHBondContact O-N 2.94Å; L1226-A1228 PolarHBondContact O-N 2.91Å; A1228-E1230 VanDerWaalsContact C-N 3.33Å; A1228-S1231 PolarHBondContact O-OG 3.5Å; A1228-S1231 VanDerWaalsContact O-OG 3.13Å; A1228-V1232 WeakPolarHBondContact O-CG2 3.32Å
1229	C	80.7	Confident	78.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-67.7	-32.3	174.3	-63.7	0	0	0	0	112.5	Y1199 A1203 I1225 L1226 N1235	Y1199-C1229 HydrophobicContact CD1-CB 4.43Å; Y1199-C1229 WeakPolarHBondContact O-CB 3.4Å; A1203-C1229 HydrophobicContact CB-CB 3.98Å; I1225-C1229 PolarHBondContact O-N 3.48Å; I1225-C1229 PolarHBondContact O-SG 3.36Å; L1226-C1229 PolarHBondContact O-N 2.76Å; C1229-N1235 PolarHBondContact O-ND2 2.57Å
1230	E	80.4	Confident	78.4	Confident	90 Å²	90	74 Å²	74	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-83	-21.4	-179.2	-72.8	178.2	166.5	0	0	113.6	R1207 L1226 Q1227 A1228	R1207-E1230 IonicContact CZ-OE1 3.63Å; R1207-E1230 IonicContact NE-OE1 3.43Å; R1207-E1230 PolarHBondContact NE-OE1 3.41Å; R1207-E1230 IonicContact NH2-OE1 2.74Å; R1207-E1230 PolarHBondContact NH2-OE1 2.88Å; L1226-E1230 HydrophobicContact CD1-CG 4.17Å; L1226-E1230 WeakPolarHBondContact CD1-OE1 3.22Å; L1226-E1230 WeakPolarHBondContact O-CB 3.44Å; L1226-E1230 WeakPolarHBondContact O-CG 3.34Å; L1226-E1230 PolarHBondContact O-N 2.82Å; Q1227-E1230 PolarHBondContact O-N 3.11Å; A1228-E1230 VanDerWaalsContact C-N 3.33Å
1231	S	78.2	Confident	78.4	Confident	86 Å²	86	69.5 Å²	69.5	60%	0.601	37%	0.373	S	S	*	.	H	α-helix	trans	-82.3	-24.4	176.4	68.4	0	0	0	0	114.2	Q1227 A1228 T1233	Q1227-S1231 WeakPolarHBondContact O-CB 3.4Å; Q1227-S1231 PolarHBondContact O-N 3.42Å; Q1227-S1231 PolarHBondContact O-OG 3.43Å; A1228-S1231 PolarHBondContact O-OG 3.5Å; A1228-S1231 VanDerWaalsContact O-OG 3.13Å; S1231-T1233 PolarHBondContact O-N 3.09Å
1232	V	73.9	Confident	78.4	Confident	47 Å²	47	69.8 Å²	69.8	29%	0.285	38%	0.382	S	S	.	.	S	Bend	trans	-66.6	126.3	175.4	174.3	0	0	0	0	110.4	Y1199 A1228 N1235	Y1199-V1232 HydrophobicContact CD1-CG2 4.37Å; Y1199-V1232 HydrophobicContact CD2-CB 4.28Å; Y1199-V1232 HydrophobicContact CD2-CG1 3.82Å; Y1199-V1232 HydrophobicContact CD2-CG2 4.44Å; Y1199-V1232 HydrophobicContact CE1-CG2 4.22Å; Y1199-V1232 HydrophobicContact CE2-CB 4.49Å; Y1199-V1232 HydrophobicContact CE2-CG1 3.9Å; Y1199-V1232 HydrophobicContact CE2-CG2 4.28Å; Y1199-V1232 HydrophobicContact CG-CB 4.4Å; Y1199-V1232 HydrophobicContact CG-CG1 4.43Å; Y1199-V1232 HydrophobicContact CG-CG2 4.48Å; A1228-V1232 WeakPolarHBondContact O-CG2 3.32Å; V1232-N1235 WeakPolarHBondContact O-CB 3.39Å; V1232-N1235 PolarHBondContact O-N 3.43Å
1233	T	60.7	Low	78.2	Confident	125 Å²	125	71 Å²	71	77%	0.767	39%	0.386	S	S	*	.	S	Bend	trans	-128.5	129.7	177.8	33	0	0	0	0	111	S1231	S1231-T1233 PolarHBondContact O-N 3.09Å
1234	P	60.1	Low	77.9	Confident	94 Å²	94	67.2 Å²	67.2	61%	0.61	38%	0.377	S	S	*	.	S	Bend	cis	-66.8	143.4	-4.5	30.7	-36	0	0	0	112.7	E1236	P1234-E1236 VanDerWaalsContact C-N 3.29Å; P1234-E1236 HydrophobicContact CB-CG 4.19Å; P1234-E1236 PolarHBondContact O-N 3.03Å
1235	N	69	Low	77.4	Confident	52 Å²	52	65.2 Å²	65.2	28%	0.278	38%	0.375	S	S	.	.			trans	-84.5	74	179.6	-166.7	-30.5	0	0	0	110.2	C1229 V1232	C1229-N1235 PolarHBondContact O-ND2 2.57Å; V1232-N1235 WeakPolarHBondContact O-CB 3.39Å; V1232-N1235 PolarHBondContact O-N 3.43Å
1236	E	78.8	Confident	77.3	Confident	128 Å²	128	72.6 Å²	72.6	60%	0.598	41%	0.413	S	S	*	.			trans	-123.4	159.6	-176.1	-67.7	-177.7	169.5	0	0	110.8	P1234	P1234-E1236 VanDerWaalsContact C-N 3.29Å; P1234-E1236 HydrophobicContact CB-CG 4.19Å; P1234-E1236 PolarHBondContact O-N 3.03Å
1237	D	81	Confident	77.1	Confident	50 Å²	50	74.5 Å²	74.5	27%	0.267	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-88.9	119.6	177.9	-73.9	-31.4	0	0	0	109.8	N1198 Y1199 R1200 S1201 H1239	N1198-D1237 WeakPolarHBondContact CA-OD1 3.38Å; N1198-D1237 HydrophobicContact CB-CB 4.09Å; N1198-D1237 WeakPolarHBondContact CB-OD1 3.24Å; Y1199-D1237 PolarHBondContact N-OD1 3.35Å; R1200-D1237 WeakPolarHBondContact CA-OD1 3.2Å; R1200-D1237 WeakPolarHBondContact CB-OD1 3.48Å; R1200-D1237 PolarHBondContact N-OD1 2.92Å; S1201-D1237 WeakPolarHBondContact CB-OD2 3.26Å; S1201-D1237 PolarHBondContact N-OD1 3.45Å; S1201-D1237 PolarHBondContact N-OD2 2.93Å; S1201-D1237 PolarHBondContact OG-OD2 2.84Å; D1237-H1239 PolarHBondContact O-N 3.35Å
1238	S	79	Confident	77.1	Confident	68 Å²	68	71.3 Å²	71.3	48%	0.476	41%	0.414	S	S	.	.	S	Bend	trans	-60.6	-25.8	-176.6	-60.6	0	0	0	0	114	K1197 N1198	K1197-S1238 WeakPolarHBondContact CB-OG 3.4Å; K1197-S1238 WeakPolarHBondContact O-CB 3.35Å; K1197-S1238 PolarHBondContact O-N 2.73Å; K1197-S1238 PolarHBondContact O-OG 3.09Å; N1198-S1238 PolarHBondContact OD1-N 3.01Å
1239	H	82.2	Confident	77.4	Confident	63 Å²	63	71.3 Å²	71.3	29%	0.292	41%	0.41	S	S	.	.	S	Bend	trans	-134.9	123.1	-177.7	-62.1	-53.7	0	0	0	111.9	I1163 N1198 D1237 L1241	I1163-H1239 HydrophobicContact CD1-CB 3.82Å; I1163-H1239 HydrophobicContact CG1-CB 3.93Å; N1198-H1239 PolarHBondContact ND2-O 2.94Å; N1198-H1239 PolarHBondContact OD1-N 3.37Å; N1198-H1239 PolarHBondContact OD1-O 2.78Å; D1237-H1239 PolarHBondContact O-N 3.35Å; H1239-L1241 PolarHBondContact O-N 3.21Å
1240	T	80.3	Confident	77.7	Confident	141 Å²	141	73.6 Å²	73.6	87%	0.865	42%	0.422	S	S	*	.			trans	-68.5	118	178.3	-41.5	0	0	0	0	111.3
1241	L	81.5	Confident	78.2	Confident	25 Å²	25	70.2 Å²	70.2	13%	0.131	41%	0.407	C	S	.	.			trans	-91.1	152.3	175.6	-62.2	164.1	0	0	0	110.6	I1163 E1167 L1193 H1239 Y1243	I1163-L1241 HydrophobicContact CG2-CD2 3.95Å; E1167-L1241 HydrophobicContact CG-CB 4.29Å; E1167-L1241 HydrophobicContact CG-CD2 3.76Å; L1193-L1241 HydrophobicContact CD2-CD1 3.59Å; H1239-L1241 PolarHBondContact O-N 3.21Å; L1241-Y1243 PolarHBondContact O-N 2.66Å
1242	S	81	Confident	78.8	Confident	71 Å²	71	66.1 Å²	66.1	50%	0.497	38%	0.378	S	S	.	.	S	Bend	trans	-75.1	28.6	170.7	-158	0	0	0	0	113.4	E1167 Y1171 P1258 Y1260	E1167-S1242 WeakPolarHBondContact OE1-CB 3.17Å; E1167-S1242 PolarHBondContact OE1-N 2.79Å; Y1171-S1242 PolarHBondContact OH-O 2.98Å; S1242-P1258 WeakPolarHBondContact O-CG 3.48Å; S1242-Y1260 PolarHBondContact O-OH 3.13Å
1243	Y	80.6	Confident	79.6	Confident	25 Å²	25	64.1 Å²	64.1	10%	0.098	37%	0.366	C	S	.	.			trans	-125	118	-168.5	168.8	-109.7	0	0	0	110.8	C1170 Y1171 H1174 M1205 L1241 P1245 F1249 Y1260	C1170-Y1243 HydrophobicContact CB-CD1 4.08Å; C1170-Y1243 HydrophobicContact CB-CD2 4.14Å; C1170-Y1243 HydrophobicContact CB-CE1 4.12Å; C1170-Y1243 HydrophobicContact CB-CE2 4.19Å; C1170-Y1243 HydrophobicContact CB-CG 4.08Å; Y1171-Y1243 HydrophobicContact CD1-CD2 4.03Å; Y1171-Y1243 AromaticContact CE1-CD2 4Å; Y1171-Y1243 HydrophobicContact CE1-CD2 4Å; Y1171-Y1243 HydrophobicContact CE1-CG 4.43Å; H1174-Y1243 AromaticContact CD2-CE2 3.76Å; H1174-Y1243 AromaticContact NE2-CE2 3.51Å; H1174-Y1243 AromaticContact NE2-CZ 3.65Å; H1174-Y1243 PolarHBondContact NE2-OH 3.37Å; M1205-Y1243 HydrophobicContact CE-CE1 3.97Å; M1205-Y1243 WeakPolarHBondContact CE-OH 3.39Å; L1241-Y1243 PolarHBondContact O-N 2.66Å; Y1243-P1245 HydrophobicContact CE1-CB 4.16Å; Y1243-P1245 HydrophobicContact CE1-CG 4.44Å; Y1243-F1249 AromaticContact CD2-CE1 3.93Å; Y1243-F1249 HydrophobicContact CD2-CE1 3.93Å; Y1243-F1249 AromaticContact CD2-CZ 3.98Å; Y1243-F1249 HydrophobicContact CD2-CZ 3.98Å; Y1243-F1249 AromaticContact CE2-CE1 3.84Å; Y1243-F1249 HydrophobicContact CE2-CE1 3.84Å; Y1243-F1249 AromaticContact CE2-CZ 3.86Å; Y1243-F1249 HydrophobicContact CE2-CZ 3.86Å; Y1243-Y1260 WeakPolarHBondContact CA-OH 3.29Å
1244	D	79.5	Confident	80.9	Confident	60 Å²	60	59.6 Å²	59.6	32%	0.321	34%	0.341	S	S	.	.			trans	-113	115	171.1	177.7	-2.8	0	0	0	109.3	L1246 N1247 Y1260	D1244-L1246 VanDerWaalsContact C-N 3.31Å; D1244-L1246 PolarHBondContact O-N 3.11Å; D1244-L1246 WeakPolarHBondContact OD1-CB 3.29Å; D1244-L1246 PolarHBondContact OD1-N 2.88Å; D1244-N1247 HydrophobicContact CB-CB 4.24Å; D1244-N1247 PolarHBondContact OD1-N 2.96Å; D1244-N1247 WeakPolarHBondContact OD2-CB 3.48Å; D1244-Y1260 HydrophobicContact CB-CE1 3.94Å; D1244-Y1260 PolarHBondContact N-OH 2.75Å
1245	P	73.1	Confident	82.1	Confident	63 Å²	63	57.4 Å²	57.4	41%	0.409	33%	0.326	S	S	.	.	S	Bend	trans	-74.9	-15.3	179.1	30.5	-35.2	0	0	0	114.1	Y1243	Y1243-P1245 HydrophobicContact CE1-CB 4.16Å; Y1243-P1245 HydrophobicContact CE1-CG 4.44Å
1246	L	77.3	Confident	83.2	Confident	158 Å²	158	56.3 Å²	56.3	83%	0.827	32%	0.319	S	S	*	.	S	Bend	trans	-91.9	-25.9	-177.1	-66.5	170.5	0	0	0	112.6	D1244 P1248	D1244-L1246 VanDerWaalsContact C-N 3.31Å; D1244-L1246 PolarHBondContact O-N 3.11Å; D1244-L1246 WeakPolarHBondContact OD1-CB 3.29Å; D1244-L1246 PolarHBondContact OD1-N 2.88Å; L1246-P1248 WeakPolarHBondContact O-CD 3.45Å
1247	N	80	Confident	83.5	Confident	62 Å²	62	52.5 Å²	52.5	33%	0.332	30%	0.304	S	S	.	.	S	Bend	trans	-96.9	109.3	-179.7	-174.9	0.9	0	0	0	111.1	D1244 F1249 Y1260	D1244-N1247 HydrophobicContact CB-CB 4.24Å; D1244-N1247 PolarHBondContact OD1-N 2.96Å; D1244-N1247 WeakPolarHBondContact OD2-CB 3.48Å; N1247-F1249 PolarHBondContact O-N 2.97Å; N1247-Y1260 HydrophobicContact CB-CD1 3.91Å; N1247-Y1260 HydrophobicContact CB-CE1 4.21Å; N1247-Y1260 WeakPolarHBondContact ND2-CD1 3.45Å; N1247-Y1260 WeakPolarHBondContact O-CD1 3.49Å
1248	P	80.8	Confident	83.8	Confident	65 Å²	65	50.8 Å²	50.8	42%	0.422	30%	0.295	S	S	.	.			trans	-62.6	129.3	-175.2	-21.8	33.4	0	0	0	112.3	L1246 R1261	L1246-P1248 WeakPolarHBondContact O-CD 3.45Å; P1248-R1261 HydrophobicContact CB-CG 4.48Å; P1248-R1261 WeakPolarHBondContact O-CG 3.2Å; P1248-R1261 PolarHBondContact O-N 3.36Å; P1248-R1261 VanDerWaalsContact O-N 3.11Å
1249	F	87.3	Confident	84.1	Confident	25 Å²	25	48 Å²	48	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.1	177.2	61.1	-93.9	0	0	0	111.6	Y1171 H1174 Y1243 N1247 I1251 P1258 I1259 Y1260	Y1171-F1249 AromaticContact CD1-CE2 3.96Å; Y1171-F1249 HydrophobicContact CD1-CE2 3.96Å; Y1171-F1249 AromaticContact CD1-CZ 3.92Å; Y1171-F1249 HydrophobicContact CD1-CZ 3.92Å; H1174-F1249 HydrophobicContact CB-CE2 4.38Å; H1174-F1249 HydrophobicContact CB-CZ 4.24Å; H1174-F1249 AromaticContact CD2-CZ 3.74Å; H1174-F1249 AromaticContact CG-CZ 3.96Å; Y1243-F1249 AromaticContact CD2-CE1 3.93Å; Y1243-F1249 HydrophobicContact CD2-CE1 3.93Å; Y1243-F1249 AromaticContact CD2-CZ 3.98Å; Y1243-F1249 HydrophobicContact CD2-CZ 3.98Å; Y1243-F1249 AromaticContact CE2-CE1 3.84Å; Y1243-F1249 HydrophobicContact CE2-CE1 3.84Å; Y1243-F1249 AromaticContact CE2-CZ 3.86Å; Y1243-F1249 HydrophobicContact CE2-CZ 3.86Å; N1247-F1249 PolarHBondContact O-N 2.97Å; F1249-I1251 HydrophobicContact CD2-CG1 4.05Å; F1249-I1251 HydrophobicContact CE2-CD1 4.34Å; F1249-I1251 HydrophobicContact CE2-CG1 3.83Å; F1249-P1258 HydrophobicContact CB-CB 3.9Å; F1249-P1258 HydrophobicContact CD1-CB 4.24Å; F1249-P1258 HydrophobicContact CD2-CB 3.56Å; F1249-P1258 HydrophobicContact CE2-CB 4.13Å; F1249-P1258 HydrophobicContact CG-CB 3.63Å; F1249-I1259 WeakPolarHBondContact CA-O 3.3Å; F1249-Y1260 HydrophobicContact CB-CD1 3.76Å; F1249-Y1260 HydrophobicContact CB-CE1 4.05Å; F1249-Y1260 HydrophobicContact CB-CG 4.19Å; F1249-Y1260 HydrophobicContact CD1-CD1 4.19Å; F1249-Y1260 AromaticContact CD1-CE1 3.7Å; F1249-Y1260 HydrophobicContact CD1-CE1 3.7Å; F1249-Y1260 HydrophobicContact CG-CD1 4.41Å; F1249-Y1260 HydrophobicContact CG-CE1 4.22Å
1250	D	87.6	Confident	84.3	Confident	48 Å²	48	46.4 Å²	46.4	26%	0.257	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	152.3	163.3	-61.6	-82.6	0	0	0	108.9	I1259 Y1274	D1250-I1259 PolarHBondContact N-O 2.93Å; D1250-I1259 WeakPolarHBondContact O-CA 3.27Å; D1250-I1259 WeakPolarHBondContact O-CB 3.5Å; D1250-I1259 PolarHBondContact O-N 2.79Å; D1250-Y1274 HydrophobicContact CB-CD1 3.83Å; D1250-Y1274 HydrophobicContact CB-CD2 3.59Å; D1250-Y1274 HydrophobicContact CB-CE1 3.86Å; D1250-Y1274 HydrophobicContact CB-CE2 3.63Å; D1250-Y1274 HydrophobicContact CB-CG 3.65Å; D1250-Y1274 WeakPolarHBondContact OD1-CE2 3.46Å; D1250-Y1274 PolarHBondContact OD1-OH 3.25Å; D1250-Y1274 WeakPolarHBondContact OD2-CE1 3.35Å; D1250-Y1274 VanDerWaalsContact OD2-CZ 3.27Å; D1250-Y1274 PolarHBondContact OD2-OH 3.42Å; D1250-Y1274 VanDerWaalsContact OD2-OH 3.08Å
1251	I	89.7	Confident	84.3	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.3	-174.1	-60.1	163.7	0	0	0	110.4	V1143 M1147 Y1171 F1249 A1253	V1143-I1251 HydrophobicContact CG1-CG2 4.35Å; M1147-I1251 HydrophobicContact CE-CD1 4.1Å; M1147-I1251 HydrophobicContact SD-CG2 4.33Å; Y1171-I1251 VanDerWaalsContact O-CD1 3.28Å; Y1171-I1251 WeakPolarHBondContact O-CD1 3.5Å; F1249-I1251 HydrophobicContact CD2-CG1 4.05Å; F1249-I1251 HydrophobicContact CE2-CD1 4.34Å; F1249-I1251 HydrophobicContact CE2-CG1 3.83Å; I1251-A1253 PolarHBondContact O-N 3.41Å
1252	C	91.4	Very high	84.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-68.1	113.6	171.7	-175.7	0	0	0	0	110.8	A1254 T1255 Y1256 T1257 I1259 Y1274 V1276	C1252-A1254 PolarHBondContact O-N 2.82Å; C1252-T1255 VanDerWaalsContact CB-OG1 3.29Å; C1252-T1255 WeakPolarHBondContact CB-OG1 3.45Å; C1252-T1255 PolarHBondContact SG-OG1 2.8Å; C1252-Y1256 WeakPolarHBondContact O-CA 3.35Å; C1252-Y1256 PolarHBondContact O-N 3.03Å; C1252-T1257 PolarHBondContact N-O 2.88Å; C1252-I1259 HydrophobicContact CB-CD1 3.94Å; C1252-I1259 HydrophobicContact CB-CG1 4.27Å; C1252-Y1274 WeakPolarHBondContact CA-O 3.46Å; C1252-V1276 HydrophobicContact CB-CG1 4.27Å; C1252-V1276 PolarHBondContact SG-N 2.84Å; C1252-V1276 VanDerWaalsContact SG-N 3.41Å
1253	A	90.8	Very high	84.2	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.033	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	20	-175.8	0	0	0	0	0	115.5	V1143 I1251 A1273 Y1274 Y1275 R1285 V1286	V1143-A1253 HydrophobicContact CG1-CB 4.46Å; V1143-A1253 HydrophobicContact CG2-CB 3.77Å; I1251-A1253 PolarHBondContact O-N 3.41Å; A1253-A1273 HydrophobicContact CB-CB 4.15Å; A1253-Y1274 PolarHBondContact N-O 2.97Å; A1253-Y1275 HydrophobicContact CB-CE1 3.86Å; A1253-Y1275 HydrophobicContact CB-CE2 4.38Å; A1253-R1285 WeakPolarHBondContact O-CB 3.05Å; A1253-V1286 HydrophobicContact CB-CG2 3.86Å
1254	A	87.8	Confident	84.5	Confident	30 Å²	30	59.8 Å²	59.8	25%	0.248	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	-43.3	174.6	0	0	0	0	0	112.5	C1252 Y1275 M1279 R1285	C1252-A1254 PolarHBondContact O-N 2.82Å; A1254-Y1275 HydrophobicContact CB-CD1 3.87Å; A1254-Y1275 HydrophobicContact CB-CE1 3.82Å; A1254-M1279 HydrophobicContact CB-CE 4.16Å; A1254-M1279 HydrophobicContact CB-CG 4.38Å; A1254-M1279 HydrophobicContact CB-SD 4.25Å; A1254-R1285 HydrophobicContact CB-CG 4.18Å
1255	T	86	Confident	84.9	Confident	48 Å²	48	59.5 Å²	59.5	29%	0.294	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-13.4	179	54.4	0	0	0	0	113.4	R1164 C1252 T1257 M1279	R1164-T1255 PolarHBondContact NH2-O 2.81Å; C1252-T1255 VanDerWaalsContact CB-OG1 3.29Å; C1252-T1255 WeakPolarHBondContact CB-OG1 3.45Å; C1252-T1255 PolarHBondContact SG-OG1 2.8Å; T1255-T1257 VanDerWaalsContact C-N 3.3Å; T1255-T1257 PolarHBondContact O-N 2.86Å; T1255-T1257 PolarHBondContact OG1-OG1 2.87Å; T1255-M1279 HydrophobicContact CG2-CE 3.76Å
1256	Y	90.8	Very high	85.8	Confident	30 Å²	30	57.6 Å²	57.6	12%	0.118	32%	0.319	C	S	.	.			trans	50.8	49.9	-170.8	-48.6	-64.3	0	0	0	111.7	S1146 M1147 T1150 R1164 C1252	S1146-Y1256 WeakPolarHBondContact CB-OH 3.26Å; S1146-Y1256 PolarHBondContact O-OH 2.76Å; M1147-Y1256 HydrophobicContact CB-CD1 3.57Å; M1147-Y1256 HydrophobicContact CB-CE1 3.69Å; M1147-Y1256 HydrophobicContact CB-CG 4.05Å; M1147-Y1256 HydrophobicContact CG-CD1 3.8Å; M1147-Y1256 HydrophobicContact CG-CE1 4.4Å; M1147-Y1256 HydrophobicContact CG-CG 3.86Å; M1147-Y1256 HydrophobicContact SD-CD1 3.97Å; M1147-Y1256 HydrophobicContact SD-CG 4.15Å; T1150-Y1256 HydrophobicContact CG2-CD2 4.2Å; T1150-Y1256 HydrophobicContact CG2-CE2 3.97Å; T1150-Y1256 VanDerWaalsContact OG1-CE2 3.25Å; T1150-Y1256 WeakPolarHBondContact OG1-CE2 3.44Å; R1164-Y1256 PolarHBondContact NH1-O 3.05Å; R1164-Y1256 PolarHBondContact NH2-O 3.01Å; C1252-Y1256 WeakPolarHBondContact O-CA 3.35Å; C1252-Y1256 PolarHBondContact O-N 3.03Å
1257	T	85.8	Confident	86.5	Confident	47 Å²	47	57 Å²	57	29%	0.288	31%	0.305	S	S	.	.			trans	-117.5	145.3	175.5	53.2	0	0	0	0	110.4	C1252 T1255	C1252-T1257 PolarHBondContact N-O 2.88Å; T1255-T1257 VanDerWaalsContact C-N 3.3Å; T1255-T1257 PolarHBondContact O-N 2.86Å; T1255-T1257 PolarHBondContact OG1-OG1 2.87Å
1258	P	87.2	Confident	87.1	Confident	14 Å²	14	54.1 Å²	54.1	9%	0.091	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.3	-178.5	28.6	-33.8	0	0	0	111.8	Y1171 S1242 F1249 Y1260	Y1171-P1258 HydrophobicContact CE1-CB 4.21Å; Y1171-P1258 HydrophobicContact CE1-CG 3.78Å; S1242-P1258 WeakPolarHBondContact O-CG 3.48Å; F1249-P1258 HydrophobicContact CB-CB 3.9Å; F1249-P1258 HydrophobicContact CD1-CB 4.24Å; F1249-P1258 HydrophobicContact CD2-CB 3.56Å; F1249-P1258 HydrophobicContact CE2-CB 4.13Å; F1249-P1258 HydrophobicContact CG-CB 3.63Å; P1258-Y1260 HydrophobicContact CB-CD2 4.39Å; P1258-Y1260 HydrophobicContact CB-CE2 3.85Å; P1258-Y1260 HydrophobicContact CG-CE2 3.66Å
1259	I	86.5	Confident	87.6	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.046	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	87.6	171.5	-53.8	172.4	0	0	0	107	F1249 D1250 C1252 K1263 V1276	F1249-I1259 WeakPolarHBondContact CA-O 3.3Å; D1250-I1259 PolarHBondContact N-O 2.93Å; D1250-I1259 WeakPolarHBondContact O-CA 3.27Å; D1250-I1259 WeakPolarHBondContact O-CB 3.5Å; D1250-I1259 PolarHBondContact O-N 2.79Å; C1252-I1259 HydrophobicContact CB-CD1 3.94Å; C1252-I1259 HydrophobicContact CB-CG1 4.27Å; I1259-K1263 HydrophobicContact CG2-CB 4.17Å; I1259-V1276 HydrophobicContact CD1-CG1 4.16Å; I1259-V1276 HydrophobicContact CG1-CG1 4.17Å
1260	Y	85.6	Confident	87.8	Confident	31 Å²	31	51 Å²	51	12%	0.122	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	145.3	175.8	-63.5	-78.8	0	0	0	111.9	S1242 Y1243 D1244 N1247 F1249 P1258 G1262 K1263	S1242-Y1260 PolarHBondContact O-OH 3.13Å; Y1243-Y1260 WeakPolarHBondContact CA-OH 3.29Å; D1244-Y1260 HydrophobicContact CB-CE1 3.94Å; D1244-Y1260 PolarHBondContact N-OH 2.75Å; N1247-Y1260 HydrophobicContact CB-CD1 3.91Å; N1247-Y1260 HydrophobicContact CB-CE1 4.21Å; N1247-Y1260 WeakPolarHBondContact ND2-CD1 3.45Å; N1247-Y1260 WeakPolarHBondContact O-CD1 3.49Å; F1249-Y1260 HydrophobicContact CB-CD1 3.76Å; F1249-Y1260 HydrophobicContact CB-CE1 4.05Å; F1249-Y1260 HydrophobicContact CB-CG 4.19Å; F1249-Y1260 HydrophobicContact CD1-CD1 4.19Å; F1249-Y1260 AromaticContact CD1-CE1 3.7Å; F1249-Y1260 HydrophobicContact CD1-CE1 3.7Å; F1249-Y1260 HydrophobicContact CG-CD1 4.41Å; F1249-Y1260 HydrophobicContact CG-CE1 4.22Å; P1258-Y1260 HydrophobicContact CB-CD2 4.39Å; P1258-Y1260 HydrophobicContact CB-CE2 3.85Å; P1258-Y1260 HydrophobicContact CG-CE2 3.66Å; Y1260-G1262 PolarHBondContact O-N 3.43Å; Y1260-K1263 WeakPolarHBondContact O-CB 3.45Å; Y1260-K1263 PolarHBondContact O-N 2.81Å; Y1260-K1263 VanDerWaalsContact O-N 3.13Å
1261	R	79.6	Confident	88	Confident	189 Å²	189	48.8 Å²	48.8	71%	0.713	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	132.1	177.6	-83	176.9	176.3	-173.9	1.6	112.2	P1248	P1248-R1261 HydrophobicContact CB-CG 4.48Å; P1248-R1261 WeakPolarHBondContact O-CG 3.2Å; P1248-R1261 PolarHBondContact O-N 3.36Å; P1248-R1261 VanDerWaalsContact O-N 3.11Å
1262	G	78.3	Confident	88	Confident	85 Å²	85	49 Å²	49	88%	0.876	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-9.6	-179.4	0	0	0	0	0	115	Y1260	Y1260-G1262 PolarHBondContact O-N 3.43Å
1263	K	83	Confident	88	Confident	133 Å²	133	49 Å²	49	58%	0.578	27%	0.267	S	S	*	.	S	Bend	trans	-80.8	145.7	165.7	-67.3	-174	178.6	-178	0	110.9	I1259 Y1260 S1265	I1259-K1263 HydrophobicContact CG2-CB 4.17Å; Y1260-K1263 WeakPolarHBondContact O-CB 3.45Å; Y1260-K1263 PolarHBondContact O-N 2.81Å; Y1260-K1263 VanDerWaalsContact O-N 3.13Å; K1263-S1265 PolarHBondContact O-N 2.93Å
1264	D	85.9	Confident	88.1	Confident	136 Å²	136	50.4 Å²	50.4	73%	0.727	27%	0.272	S	S	*	.			trans	-58.8	135	174	-70	-39.6	0	0	0	111.3	P1277	D1264-P1277 HydrophobicContact CB-CG 3.76Å; D1264-P1277 WeakPolarHBondContact O-CD 3.38Å
1265	S	88.9	Confident	88.3	Confident	53 Å²	53	49 Å²	49	37%	0.371	26%	0.26	S	S	.	.			trans	-142.5	149.9	179.4	71.2	0	0	0	0	110.8	K1263	K1263-S1265 PolarHBondContact O-N 2.93Å
1266	V	91.4	Very high	88.6	Confident	24 Å²	24	48.2 Å²	48.2	15%	0.145	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.9	178	-178.3	0	0	0	0	107.7	Y1275 P1277 K1280 I1292	V1266-Y1275 PolarHBondContact N-O 2.76Å; V1266-Y1275 PolarHBondContact O-N 3.23Å; V1266-P1277 HydrophobicContact CG2-CB 4.31Å; V1266-P1277 HydrophobicContact CG2-CG 4.49Å; V1266-K1280 HydrophobicContact CG1-CB 4.29Å; V1266-K1280 HydrophobicContact CG1-CD 4.46Å; V1266-K1280 HydrophobicContact CG1-CG 4.29Å; V1266-K1280 HydrophobicContact CG2-CB 4.39Å; V1266-I1292 HydrophobicContact CB-CG2 4.32Å; V1266-I1292 HydrophobicContact CG1-CG2 3.76Å
1267	R	91.9	Very high	88.4	Confident	144 Å²	144	49.8 Å²	49.8	54%	0.543	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150	-178.9	-68.4	-175.7	-180	163.9	-0.4	111.9	A1273 Y1274 G1293	R1267-A1273 CarbonylContact C-O 3.58Å; R1267-A1273 WeakPolarHBondContact CA-O 3.41Å; R1267-Y1274 HydrophobicContact CG-CD1 4.02Å; R1267-Y1274 HydrophobicContact CG-CE1 4.26Å; R1267-Y1274 HydrophobicContact CG-CG 4.44Å; R1267-Y1274 VanDerWaalsContact NH2-CZ 3.3Å; R1267-Y1274 PolarHBondContact NH2-OH 2.92Å; R1267-G1293 PolarHBondContact O-N 2.79Å
1268	D	93.2	Very high	88.6	Confident	3 Å²	3	53 Å²	53	2%	0.016	29%	0.289	C	S	.	.			trans	-76.6	128.5	167.5	174.6	57.3	0	0	0	111.6	L1270 S1271 G1272 A1273 Y1275 C1284 T1287 T1290	D1268-L1270 VanDerWaalsContact C-N 3.29Å; D1268-L1270 PolarHBondContact O-N 3.09Å; D1268-S1271 VanDerWaalsContact OD2-CB 3.3Å; D1268-S1271 WeakPolarHBondContact OD2-CB 3.25Å; D1268-S1271 PolarHBondContact OD2-N 2.92Å; D1268-S1271 PolarHBondContact OD2-OG 2.77Å; D1268-G1272 VanDerWaalsContact O-CA 3.25Å; D1268-G1272 WeakPolarHBondContact O-CA 3.41Å; D1268-G1272 PolarHBondContact O-N 2.87Å; D1268-A1273 HydrophobicContact CB-CB 4.28Å; D1268-A1273 PolarHBondContact N-O 3.31Å; D1268-Y1275 HydrophobicContact CB-CE2 4.08Å; D1268-C1284 HydrophobicContact CB-CB 4.42Å; D1268-C1284 WeakPolarHBondContact OD1-CB 3.46Å; D1268-C1284 PolarHBondContact OD1-SG 3.22Å; D1268-C1284 PolarHBondContact OD2-SG 2.84Å; D1268-C1284 VanDerWaalsContact OD2-SG 3.39Å; D1268-T1287 VanDerWaalsContact OD2-CG2 3.26Å; D1268-T1287 WeakPolarHBondContact OD2-CG2 3.43Å; D1268-T1290 VanDerWaalsContact OD1-CB 3.24Å; D1268-T1290 WeakPolarHBondContact OD1-CB 3.42Å; D1268-T1290 PolarHBondContact OD1-OG1 3.04Å; D1268-T1290 PolarHBondContact OD2-OG1 3.24Å
1269	P	90.8	Very high	88.7	Confident	16 Å²	16	54.1 Å²	54.1	10%	0.104	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.2	-178.4	-33.7	38.5	0	0	0	117.1	V1028 E1291 I1294 H1296	V1028-P1269 WeakPolarHBondContact O-CB 3.35Å; P1269-E1291 VanDerWaalsContact CD-O 3.28Å; P1269-E1291 WeakPolarHBondContact CD-O 3.24Å; P1269-I1294 HydrophobicContact CG-CG2 3.66Å; P1269-H1296 HydrophobicContact CB-CB 4.21Å; P1269-H1296 PolarHBondContact O-CE1 2.63Å; P1269-H1296 VanDerWaalsContact O-CE1 3.27Å
1270	L	92.6	Very high	88.9	Confident	8 Å²	8	59.8 Å²	59.8	4%	0.042	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-55.3	-173.2	174.2	56.4	0	0	0	112.4	V1028 L1114 L1115 P1118 I1135 D1268 T1287 T1290	V1028-L1270 HydrophobicContact CB-CB 4.31Å; V1028-L1270 HydrophobicContact CB-CD1 4.39Å; V1028-L1270 HydrophobicContact CG1-CD1 4.28Å; L1114-L1270 HydrophobicContact CD1-CG 4.46Å; L1115-L1270 HydrophobicContact CD2-CD2 4.49Å; P1118-L1270 HydrophobicContact CG-CD1 3.44Å; P1118-L1270 VanDerWaalsContact CG-CD1 3.44Å; P1118-L1270 HydrophobicContact CG-CD2 4.21Å; P1118-L1270 HydrophobicContact CG-CG 4.5Å; I1135-L1270 HydrophobicContact CD1-CD1 4.39Å; I1135-L1270 WeakPolarHBondContact CG2-O 3.5Å; D1268-L1270 VanDerWaalsContact C-N 3.29Å; D1268-L1270 PolarHBondContact O-N 3.09Å; L1270-T1287 HydrophobicContact CB-CG2 4.13Å; L1270-T1287 HydrophobicContact CD2-CG2 4.02Å; L1270-T1287 HydrophobicContact CG-CG2 4.18Å; L1270-T1290 HydrophobicContact CB-CG2 3.76Å; L1270-T1290 HydrophobicContact CD2-CG2 4.23Å
1271	S	90.9	Very high	89.1	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.007	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-16.6	-177.2	66	0	0	0	0	113.7	R1139 D1268 A1273	R1139-S1271 WeakPolarHBondContact CD-O 3.14Å; R1139-S1271 PolarHBondContact NH1-O 2.74Å; D1268-S1271 VanDerWaalsContact OD2-CB 3.3Å; D1268-S1271 WeakPolarHBondContact OD2-CB 3.25Å; D1268-S1271 PolarHBondContact OD2-N 2.92Å; D1268-S1271 PolarHBondContact OD2-OG 2.77Å; S1271-A1273 PolarHBondContact O-N 2.9Å; S1271-A1273 WeakPolarHBondContact OG-CB 3.32Å; S1271-A1273 PolarHBondContact OG-N 3.13Å
1272	G	89.6	Confident	89.7	Confident	23 Å²	23	54.9 Å²	54.9	24%	0.237	32%	0.316	C	S	.	.			trans	67	10.1	-168	0	0	0	0	0	113.8	D1268	D1268-G1272 VanDerWaalsContact O-CA 3.25Å; D1268-G1272 WeakPolarHBondContact O-CA 3.41Å; D1268-G1272 PolarHBondContact O-N 2.87Å
1273	A	91.9	Very high	90.3	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.008	29%	0.292	C	S	.	.			trans	-62.1	140.1	-179.5	0	0	0	0	0	111.9	R1139 A1253 R1267 D1268 S1271 Y1275 V1286	R1139-A1273 HydrophobicContact CG-CB 4.08Å; A1253-A1273 HydrophobicContact CB-CB 4.15Å; R1267-A1273 CarbonylContact C-O 3.58Å; R1267-A1273 WeakPolarHBondContact CA-O 3.41Å; D1268-A1273 HydrophobicContact CB-CB 4.28Å; D1268-A1273 PolarHBondContact N-O 3.31Å; S1271-A1273 PolarHBondContact O-N 2.9Å; S1271-A1273 WeakPolarHBondContact OG-CB 3.32Å; S1271-A1273 PolarHBondContact OG-N 3.13Å; A1273-Y1275 HydrophobicContact CB-CE2 3.93Å; A1273-Y1275 WeakPolarHBondContact O-CD2 3.43Å; A1273-V1286 HydrophobicContact CB-CB 4.42Å; A1273-V1286 HydrophobicContact CB-CG2 3.78Å
1274	Y	91.8	Very high	90.8	Very high	34 Å²	34	47.9 Å²	47.9	13%	0.133	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	145.6	-177	-64.8	-104.2	0	0	0	111.5	D1250 C1252 A1253 R1267	D1250-Y1274 HydrophobicContact CB-CD1 3.83Å; D1250-Y1274 HydrophobicContact CB-CD2 3.59Å; D1250-Y1274 HydrophobicContact CB-CE1 3.86Å; D1250-Y1274 HydrophobicContact CB-CE2 3.63Å; D1250-Y1274 HydrophobicContact CB-CG 3.65Å; D1250-Y1274 WeakPolarHBondContact OD1-CE2 3.46Å; D1250-Y1274 PolarHBondContact OD1-OH 3.25Å; D1250-Y1274 WeakPolarHBondContact OD2-CE1 3.35Å; D1250-Y1274 VanDerWaalsContact OD2-CZ 3.27Å; D1250-Y1274 PolarHBondContact OD2-OH 3.42Å; D1250-Y1274 VanDerWaalsContact OD2-OH 3.08Å; C1252-Y1274 WeakPolarHBondContact CA-O 3.46Å; A1253-Y1274 PolarHBondContact N-O 2.97Å; R1267-Y1274 HydrophobicContact CG-CD1 4.02Å; R1267-Y1274 HydrophobicContact CG-CE1 4.26Å; R1267-Y1274 HydrophobicContact CG-CG 4.44Å; R1267-Y1274 VanDerWaalsContact NH2-CZ 3.3Å; R1267-Y1274 PolarHBondContact NH2-OH 2.92Å
1275	Y	93.2	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151	175.2	-64.3	-90.1	0	0	0	110.6	A1253 A1254 V1266 D1268 A1273 M1279 C1284 R1285 I1292	A1253-Y1275 HydrophobicContact CB-CE1 3.86Å; A1253-Y1275 HydrophobicContact CB-CE2 4.38Å; A1254-Y1275 HydrophobicContact CB-CD1 3.87Å; A1254-Y1275 HydrophobicContact CB-CE1 3.82Å; V1266-Y1275 PolarHBondContact N-O 2.76Å; V1266-Y1275 PolarHBondContact O-N 3.23Å; D1268-Y1275 HydrophobicContact CB-CE2 4.08Å; A1273-Y1275 HydrophobicContact CB-CE2 3.93Å; A1273-Y1275 WeakPolarHBondContact O-CD2 3.43Å; Y1275-M1279 HydrophobicContact CD1-CB 4.25Å; Y1275-M1279 HydrophobicContact CG-CB 4.47Å; Y1275-C1284 PolarHBondContact OH-SG 3.32Å; Y1275-R1285 HydrophobicContact CE1-CG 4.43Å; Y1275-R1285 PolarHBondContact OH-N 2.68Å; Y1275-I1292 HydrophobicContact CD1-CD1 3.63Å; Y1275-I1292 HydrophobicContact CD1-CG1 4.47Å; Y1275-I1292 HydrophobicContact CD2-CB 4.41Å; Y1275-I1292 HydrophobicContact CD2-CD1 3.9Å; Y1275-I1292 HydrophobicContact CD2-CG1 3.83Å; Y1275-I1292 HydrophobicContact CD2-CG2 3.68Å; Y1275-I1292 HydrophobicContact CE1-CD1 3.6Å; Y1275-I1292 HydrophobicContact CE1-CG1 4.41Å; Y1275-I1292 HydrophobicContact CE2-CD1 3.89Å; Y1275-I1292 HydrophobicContact CE2-CG1 3.77Å; Y1275-I1292 HydrophobicContact CE2-CG2 4.45Å; Y1275-I1292 HydrophobicContact CG-CD1 3.77Å; Y1275-I1292 HydrophobicContact CG-CG1 4.19Å; Y1275-I1292 HydrophobicContact CG-CG2 3.84Å
1276	V	91.4	Very high	91.2	Very high	32 Å²	32	45.6 Å²	45.6	19%	0.194	24%	0.238	C	C	.	.			trans	-66.5	149	167.5	-67.5	0	0	0	0	110.3	C1252 I1259 T1278 M1279	C1252-V1276 HydrophobicContact CB-CG1 4.27Å; C1252-V1276 PolarHBondContact SG-N 2.84Å; C1252-V1276 VanDerWaalsContact SG-N 3.41Å; I1259-V1276 HydrophobicContact CD1-CG1 4.16Å; I1259-V1276 HydrophobicContact CG1-CG1 4.17Å; V1276-T1278 WeakPolarHBondContact CG2-OG1 3.42Å; V1276-T1278 PolarHBondContact O-N 2.98Å; V1276-M1279 HydrophobicContact CG2-CG 3.92Å; V1276-M1279 PolarHBondContact O-N 3.38Å
1277	P	88.1	Confident	91.2	Very high	63 Å²	63	44.4 Å²	44.4	41%	0.409	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-56.8	-26.4	-173.4	-29.2	36.4	0	0	0	115.7	D1264 V1266 M1279 K1280	D1264-P1277 HydrophobicContact CB-CG 3.76Å; D1264-P1277 WeakPolarHBondContact O-CD 3.38Å; V1266-P1277 HydrophobicContact CG2-CB 4.31Å; V1266-P1277 HydrophobicContact CG2-CG 4.49Å; P1277-M1279 PolarHBondContact O-N 3.36Å; P1277-M1279 VanDerWaalsContact O-N 3.17Å; P1277-K1280 WeakPolarHBondContact O-CB 3.39Å; P1277-K1280 PolarHBondContact O-N 3.04Å; P1277-K1280 VanDerWaalsContact O-N 3.14Å
1278	T	89.6	Confident	91.2	Very high	115 Å²	115	38.5 Å²	38.5	71%	0.706	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-66.2	-10.1	176	52	0	0	0	0	114.5	V1276	V1276-T1278 WeakPolarHBondContact CG2-OG1 3.42Å; V1276-T1278 PolarHBondContact O-N 2.98Å
1279	M	89.2	Confident	91.2	Very high	36 Å²	36	38.4 Å²	38.4	18%	0.177	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-99.1	-0.8	175.6	-61.1	-68.8	176.7	0	0	113.2	A1254 T1255 Y1275 V1276 P1277 G1281 Q1282 I1292	A1254-M1279 HydrophobicContact CB-CE 4.16Å; A1254-M1279 HydrophobicContact CB-CG 4.38Å; A1254-M1279 HydrophobicContact CB-SD 4.25Å; T1255-M1279 HydrophobicContact CG2-CE 3.76Å; Y1275-M1279 HydrophobicContact CD1-CB 4.25Å; Y1275-M1279 HydrophobicContact CG-CB 4.47Å; V1276-M1279 HydrophobicContact CG2-CG 3.92Å; V1276-M1279 PolarHBondContact O-N 3.38Å; P1277-M1279 PolarHBondContact O-N 3.36Å; P1277-M1279 VanDerWaalsContact O-N 3.17Å; M1279-G1281 PolarHBondContact O-N 2.77Å; M1279-Q1282 WeakPolarHBondContact O-CB 3.5Å; M1279-Q1282 PolarHBondContact O-N 3.23Å; M1279-Q1282 VanDerWaalsContact O-N 3.14Å; M1279-Q1282 PolarHBondContact SD-NE2 3.24Å; M1279-Q1282 VanDerWaalsContact SD-NE2 3.35Å; M1279-I1292 HydrophobicContact CB-CD1 4.25Å
1280	K	90.1	Very high	91.3	Very high	128 Å²	128	37.6 Å²	37.6	56%	0.557	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	136.9	175.2	-175.7	170.2	178.3	165.7	0	110.2	V1266 P1277 Q1282 I1292 G1293	V1266-K1280 HydrophobicContact CG1-CB 4.29Å; V1266-K1280 HydrophobicContact CG1-CD 4.46Å; V1266-K1280 HydrophobicContact CG1-CG 4.29Å; V1266-K1280 HydrophobicContact CG2-CB 4.39Å; P1277-K1280 WeakPolarHBondContact O-CB 3.39Å; P1277-K1280 PolarHBondContact O-N 3.04Å; P1277-K1280 VanDerWaalsContact O-N 3.14Å; K1280-Q1282 VanDerWaalsContact C-N 3.3Å; K1280-I1292 WeakPolarHBondContact CA-O 3.34Å; K1280-I1292 WeakPolarHBondContact CG-O 3.48Å; K1280-G1293 WeakPolarHBondContact CE-O 3.43Å; K1280-G1293 PolarHBondContact NZ-O 3.43Å
1281	G	89	Confident	91.4	Very high	45 Å²	45	40 Å²	40	46%	0.464	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	1.6	-176.2	0	0	0	0	0	115.1	M1279 I1292	M1279-G1281 PolarHBondContact O-N 2.77Å; G1281-I1292 PolarHBondContact N-O 3.36Å
1282	Q	92.4	Very high	91.4	Very high	72 Å²	72	40.1 Å²	40.1	34%	0.336	22%	0.22	S	C	.	.	S	Bend	trans	-93	162.7	170.2	-61.6	-172.5	33.8	0	0	111.9	M1279 K1280 I1292	M1279-Q1282 WeakPolarHBondContact O-CB 3.5Å; M1279-Q1282 PolarHBondContact O-N 3.23Å; M1279-Q1282 VanDerWaalsContact O-N 3.14Å; M1279-Q1282 PolarHBondContact SD-NE2 3.24Å; M1279-Q1282 VanDerWaalsContact SD-NE2 3.35Å; K1280-Q1282 VanDerWaalsContact C-N 3.3Å; Q1282-I1292 HydrophobicContact CB-CD1 4.24Å; Q1282-I1292 WeakPolarHBondContact O-CB 3.24Å; Q1282-I1292 VanDerWaalsContact O-CG1 3.32Å; Q1282-I1292 WeakPolarHBondContact O-CG1 3.18Å; Q1282-I1292 PolarHBondContact O-N 3.11Å
1283	L	92.3	Very high	91.3	Very high	71 Å²	71	39.7 Å²	39.7	37%	0.372	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-69.7	128.7	173.4	-169.5	71.5	0	0	0	111.3	V1031 N1032 R1285	V1031-L1283 HydrophobicContact CG2-CD1 4Å; N1032-L1283 HydrophobicContact CB-CD1 4.08Å; L1283-R1285 PolarHBondContact O-N 2.6Å
1284	C	93.3	Very high	91.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-61.2	125.3	177.7	175.7	0	0	0	0	111.7	D1268 Y1275 V1286 T1287 G1288 T1290 I1292	D1268-C1284 HydrophobicContact CB-CB 4.42Å; D1268-C1284 WeakPolarHBondContact OD1-CB 3.46Å; D1268-C1284 PolarHBondContact OD1-SG 3.22Å; D1268-C1284 PolarHBondContact OD2-SG 2.84Å; D1268-C1284 VanDerWaalsContact OD2-SG 3.39Å; Y1275-C1284 PolarHBondContact OH-SG 3.32Å; C1284-V1286 VanDerWaalsContact C-N 3.33Å; C1284-V1286 PolarHBondContact O-N 2.67Å; C1284-T1287 WeakPolarHBondContact CB-OG1 3.27Å; C1284-G1288 WeakPolarHBondContact O-CA 3.08Å; C1284-G1288 PolarHBondContact O-N 3.22Å; C1284-T1290 WeakPolarHBondContact CB-O 3.5Å; C1284-T1290 WeakPolarHBondContact CB-OG1 3.27Å; C1284-T1290 PolarHBondContact N-O 2.9Å; C1284-I1292 HydrophobicContact CB-CG1 4.08Å
1285	R	90.5	Very high	91.1	Very high	138 Å²	138	49.3 Å²	49.3	52%	0.521	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.6	-178.1	-52.5	-59.3	172.6	165.6	-4.8	112.9	R1111 A1253 A1254 Y1275 L1283	R1111-R1285 PolarHBondContact NH2-O 2.94Å; A1253-R1285 WeakPolarHBondContact O-CB 3.05Å; A1254-R1285 HydrophobicContact CB-CG 4.18Å; Y1275-R1285 HydrophobicContact CE1-CG 4.43Å; Y1275-R1285 PolarHBondContact OH-N 2.68Å; L1283-R1285 PolarHBondContact O-N 2.6Å
1286	V	92.6	Very high	90.9	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-58.7	176.5	178.7	0	0	0	0	110.4	R1111 L1114 I1142 V1143 A1253 A1273 C1284	R1111-V1286 PolarHBondContact NE-O 3.1Å; L1114-V1286 HydrophobicContact CD2-CG1 3.89Å; I1142-V1286 HydrophobicContact CB-CG1 4.05Å; I1142-V1286 HydrophobicContact CD1-CG1 3.98Å; I1142-V1286 HydrophobicContact CG2-CB 4.26Å; I1142-V1286 HydrophobicContact CG2-CG1 3.9Å; I1142-V1286 HydrophobicContact CG2-CG2 4.42Å; V1143-V1286 HydrophobicContact CG2-CG2 3.55Å; A1253-V1286 HydrophobicContact CB-CG2 3.86Å; A1273-V1286 HydrophobicContact CB-CB 4.42Å; A1273-V1286 HydrophobicContact CB-CG2 3.78Å; C1284-V1286 VanDerWaalsContact C-N 3.33Å; C1284-V1286 PolarHBondContact O-N 2.67Å
1287	T	91.5	Very high	90.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-34	-173.8	69.7	0	0	0	0	113.1	R1111 L1114 D1268 L1270 C1284 V1289 T1290	R1111-T1287 WeakPolarHBondContact CD-O 3.31Å; L1114-T1287 HydrophobicContact CD2-CG2 4.06Å; D1268-T1287 VanDerWaalsContact OD2-CG2 3.26Å; D1268-T1287 WeakPolarHBondContact OD2-CG2 3.43Å; L1270-T1287 HydrophobicContact CB-CG2 4.13Å; L1270-T1287 HydrophobicContact CD2-CG2 4.02Å; L1270-T1287 HydrophobicContact CG-CG2 4.18Å; C1284-T1287 WeakPolarHBondContact CB-OG1 3.27Å; T1287-V1289 PolarHBondContact O-N 2.85Å; T1287-V1289 PolarHBondContact OG1-N 3.06Å; T1287-T1290 PolarHBondContact OG1-N 3.49Å; T1287-T1290 PolarHBondContact OG1-OG1 3.4Å
1288	G	91	Very high	90.6	Very high	20 Å²	20	56.5 Å²	56.5	21%	0.206	29%	0.294	C	S	.	.	S	Bend	trans	72	4.7	-171.2	0	0	0	0	0	115	N1032 C1284	N1032-G1288 PolarHBondContact ND2-O 3.03Å; C1284-G1288 WeakPolarHBondContact O-CA 3.08Å; C1284-G1288 PolarHBondContact O-N 3.22Å
1289	V	92.4	Very high	90.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-133.9	-24.1	-170	-57.7	0	0	0	0	115.4	V1030 V1031 N1032 P1035 Y1036 L1115 T1287	V1030-V1289 HydrophobicContact CG1-CB 4.15Å; V1030-V1289 HydrophobicContact CG1-CG2 4.43Å; V1030-V1289 HydrophobicContact CG2-CG2 4.17Å; V1031-V1289 PolarHBondContact N-O 3.1Å; N1032-V1289 PolarHBondContact N-O 3.27Å; N1032-V1289 VanDerWaalsContact O-CB 3.24Å; N1032-V1289 WeakPolarHBondContact O-CB 3.32Å; N1032-V1289 WeakPolarHBondContact O-CG1 3.19Å; P1035-V1289 HydrophobicContact CB-CG1 3.87Å; P1035-V1289 HydrophobicContact CG-CG1 3.64Å; Y1036-V1289 HydrophobicContact CD2-CG1 4.32Å; Y1036-V1289 HydrophobicContact CE2-CB 4.31Å; Y1036-V1289 HydrophobicContact CE2-CG1 4.36Å; Y1036-V1289 HydrophobicContact CE2-CG2 3.96Å; L1115-V1289 HydrophobicContact CD1-CG1 4.34Å; L1115-V1289 HydrophobicContact CD2-CB 4.22Å; L1115-V1289 HydrophobicContact CD2-CG1 3.76Å; L1115-V1289 HydrophobicContact CD2-CG2 3.37Å; T1287-V1289 PolarHBondContact O-N 2.85Å; T1287-V1289 PolarHBondContact OG1-N 3.06Å
1290	T	93.8	Very high	90.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-102.8	150.9	-172.5	46.3	0	0	0	0	113.1	V1028 G1029 V1030 D1268 L1270 C1284 T1287	V1028-T1290 WeakPolarHBondContact O-CG2 3.43Å; G1029-T1290 VanDerWaalsContact O-CA 3.29Å; G1029-T1290 WeakPolarHBondContact O-CA 3.46Å; V1030-T1290 HydrophobicContact CG2-CG2 3.93Å; D1268-T1290 VanDerWaalsContact OD1-CB 3.24Å; D1268-T1290 WeakPolarHBondContact OD1-CB 3.42Å; D1268-T1290 PolarHBondContact OD1-OG1 3.04Å; D1268-T1290 PolarHBondContact OD2-OG1 3.24Å; L1270-T1290 HydrophobicContact CB-CG2 3.76Å; L1270-T1290 HydrophobicContact CD2-CG2 4.23Å; C1284-T1290 WeakPolarHBondContact CB-O 3.5Å; C1284-T1290 WeakPolarHBondContact CB-OG1 3.27Å; C1284-T1290 PolarHBondContact N-O 2.9Å; T1287-T1290 PolarHBondContact OG1-N 3.49Å; T1287-T1290 PolarHBondContact OG1-OG1 3.4Å
1291	E	93.8	Very high	90.3	Very high	59 Å²	59	45.9 Å²	45.9	28%	0.276	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-86.1	133.6	173.2	-168.4	-177.4	130.8	0	0	111.4	G1029 V1031 P1269 G1293 I1294	G1029-E1291 PolarHBondContact O-N 3.3Å; V1031-E1291 HydrophobicContact CG1-CB 3.95Å; V1031-E1291 HydrophobicContact CG2-CB 4.08Å; P1269-E1291 VanDerWaalsContact CD-O 3.28Å; P1269-E1291 WeakPolarHBondContact CD-O 3.24Å; E1291-G1293 PolarHBondContact O-N 3.19Å; E1291-I1294 HydrophobicContact CB-CB 4.16Å; E1291-I1294 HydrophobicContact CB-CG2 4.03Å; E1291-I1294 HydrophobicContact CG-CB 4.47Å; E1291-I1294 WeakPolarHBondContact O-CG2 3.17Å
1292	I	92.8	Very high	90	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	115.8	-178.8	-64.4	162.7	0	0	0	109.7	V1266 Y1275 M1279 K1280 G1281 Q1282 C1284	V1266-I1292 HydrophobicContact CB-CG2 4.32Å; V1266-I1292 HydrophobicContact CG1-CG2 3.76Å; Y1275-I1292 HydrophobicContact CD1-CD1 3.63Å; Y1275-I1292 HydrophobicContact CD1-CG1 4.47Å; Y1275-I1292 HydrophobicContact CD2-CB 4.41Å; Y1275-I1292 HydrophobicContact CD2-CD1 3.9Å; Y1275-I1292 HydrophobicContact CD2-CG1 3.83Å; Y1275-I1292 HydrophobicContact CD2-CG2 3.68Å; Y1275-I1292 HydrophobicContact CE1-CD1 3.6Å; Y1275-I1292 HydrophobicContact CE1-CG1 4.41Å; Y1275-I1292 HydrophobicContact CE2-CD1 3.89Å; Y1275-I1292 HydrophobicContact CE2-CG1 3.77Å; Y1275-I1292 HydrophobicContact CE2-CG2 4.45Å; Y1275-I1292 HydrophobicContact CG-CD1 3.77Å; Y1275-I1292 HydrophobicContact CG-CG1 4.19Å; Y1275-I1292 HydrophobicContact CG-CG2 3.84Å; M1279-I1292 HydrophobicContact CB-CD1 4.25Å; K1280-I1292 WeakPolarHBondContact CA-O 3.34Å; K1280-I1292 WeakPolarHBondContact CG-O 3.48Å; G1281-I1292 PolarHBondContact N-O 3.36Å; Q1282-I1292 HydrophobicContact CB-CD1 4.24Å; Q1282-I1292 WeakPolarHBondContact O-CB 3.24Å; Q1282-I1292 VanDerWaalsContact O-CG1 3.32Å; Q1282-I1292 WeakPolarHBondContact O-CG1 3.18Å; Q1282-I1292 PolarHBondContact O-N 3.11Å; C1284-I1292 HydrophobicContact CB-CG1 4.08Å
1293	G	87.3	Confident	88.9	Confident	14 Å²	14	45.4 Å²	45.4	14%	0.144	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	16.9	173.6	0	0	0	0	0	116.6	R1267 K1280 E1291	R1267-G1293 PolarHBondContact O-N 2.79Å; K1280-G1293 WeakPolarHBondContact CE-O 3.43Å; K1280-G1293 PolarHBondContact NZ-O 3.43Å; E1291-G1293 PolarHBondContact O-N 3.19Å
1294	I	90.8	Very high	87.6	Confident	56 Å²	56	47.3 Å²	47.3	29%	0.287	24%	0.238	S	C	.	.			trans	-69.8	145.4	166.3	-166.6	171	0	0	0	110.3	P1269 E1291	P1269-I1294 HydrophobicContact CG-CG2 3.66Å; E1291-I1294 HydrophobicContact CB-CB 4.16Å; E1291-I1294 HydrophobicContact CB-CG2 4.03Å; E1291-I1294 HydrophobicContact CG-CB 4.47Å; E1291-I1294 WeakPolarHBondContact O-CG2 3.17Å
1295	E	87.1	Confident	85.5	Confident	181 Å²	181	53.1 Å²	53.1	85%	0.846	26%	0.259	S	S	*	.			trans	-72.7	139.2	176.3	-65.9	-177.4	-179.2	0	0	110.9
1296	H	89.3	Confident	82.7	Confident	84 Å²	84	55.1 Å²	55.1	39%	0.389	30%	0.295	S	S	.	.			trans	-151.4	155.8	-171.5	74.9	113.6	0	0	0	112.3	A1026 Q1027 P1269 G1298	A1026-H1296 WeakPolarHBondContact O-CA 3.28Å; Q1027-H1296 WeakPolarHBondContact O-CB 3.33Å; Q1027-H1296 PolarHBondContact O-ND1 3.34Å; P1269-H1296 HydrophobicContact CB-CB 4.21Å; P1269-H1296 PolarHBondContact O-CE1 2.63Å; P1269-H1296 VanDerWaalsContact O-CE1 3.27Å; H1296-G1298 VanDerWaalsContact C-N 3.32Å; H1296-G1298 PolarHBondContact ND1-N 3.01Å
1297	Q	87.3	Confident	82.2	Confident	143 Å²	143	57.8 Å²	57.8	67%	0.668	31%	0.309	S	S	*	.			trans	-81	-10	-176.9	-61	174.9	-5.1	0	0	113.9	A1026	A1026-Q1297 WeakPolarHBondContact O-CG 3.28Å; A1026-Q1297 PolarHBondContact O-N 2.83Å
1298	G	85.5	Confident	81.7	Confident	20 Å²	20	60.8 Å²	60.8	21%	0.206	33%	0.325	C	S	.	.			trans	88.7	173.2	-173.9	0	0	0	0	0	113.5	Q1027 H1296 V1300	Q1027-G1298 CarbonylContact C-O 3.58Å; Q1027-G1298 WeakPolarHBondContact CB-O 3.16Å; Q1027-G1298 CarbonylContact O-C 3.5Å; Q1027-G1298 VanDerWaalsContact O-C 3.3Å; Q1027-G1298 WeakPolarHBondContact O-CA 3.5Å; Q1027-G1298 PolarHBondContact O-N 3.18Å; Q1027-G1298 VanDerWaalsContact O-O 3.09Å; H1296-G1298 VanDerWaalsContact C-N 3.32Å; H1296-G1298 PolarHBondContact ND1-N 3.01Å; G1298-V1300 PolarHBondContact O-N 3.5Å
1299	L	87.1	Confident	81.2	Confident	26 Å²	26	63.1 Å²	63.1	14%	0.136	33%	0.331	C	S	.	.			trans	-65.2	129.3	-178.5	-171.9	69.3	0	0	0	111.4	V1028 I1117 P1118 R1132 I1135 I1301 R1305	V1028-L1299 HydrophobicContact CG1-CD1 4.21Å; I1117-L1299 HydrophobicContact CG2-CD2 4.42Å; P1118-L1299 HydrophobicContact CB-CD1 4.29Å; P1118-L1299 HydrophobicContact CG-CD1 4.21Å; R1132-L1299 HydrophobicContact CG-CD2 4.24Å; I1135-L1299 HydrophobicContact CD1-CD2 3.89Å; L1299-I1301 HydrophobicContact CD1-CG2 3.92Å; L1299-I1301 HydrophobicContact CD2-CD1 4.03Å; L1299-I1301 HydrophobicContact CD2-CG1 4.23Å; L1299-I1301 HydrophobicContact CG-CG1 4.26Å; L1299-I1301 HydrophobicContact CG-CG2 4.07Å; L1299-R1305 PolarHBondContact O-NH2 3.27Å
1300	V	87.3	Confident	80.5	Confident	29 Å²	29	66.8 Å²	66.8	18%	0.176	35%	0.351	C	S	.	.			trans	-129.2	91.2	177.6	-171.8	0	0	0	0	109.6	L1007 Q1027 G1298	L1007-V1300 HydrophobicContact CD2-CG1 4.13Å; Q1027-V1300 HydrophobicContact CG-CB 4.36Å; Q1027-V1300 HydrophobicContact CG-CG2 3.97Å; G1298-V1300 PolarHBondContact O-N 3.5Å
1301	I	88.5	Confident	79.7	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	37%	0.373	C	S	.	.			trans	-119.4	-5.9	-179.7	54.6	166.7	0	0	0	113.5	I1117 L1120 V1121 V1122 E1128 A1131 L1299	I1117-I1301 WeakPolarHBondContact O-CG2 3.31Å; L1120-I1301 HydrophobicContact CB-CB 4.5Å; L1120-I1301 HydrophobicContact CB-CD1 4.48Å; L1120-I1301 HydrophobicContact CB-CG2 4.48Å; V1121-I1301 WeakPolarHBondContact CA-O 3.44Å; V1122-I1301 HydrophobicContact CG1-CD1 4.23Å; V1122-I1301 HydrophobicContact CG2-CB 4.32Å; V1122-I1301 HydrophobicContact CG2-CD1 3.88Å; V1122-I1301 HydrophobicContact CG2-CG1 3.79Å; V1122-I1301 PolarHBondContact N-O 3.14Å; E1128-I1301 HydrophobicContact CG-CD1 4.2Å; E1128-I1301 HydrophobicContact CG-CG1 4.05Å; A1131-I1301 HydrophobicContact CB-CD1 3.7Å; L1299-I1301 HydrophobicContact CD1-CG2 3.92Å; L1299-I1301 HydrophobicContact CD2-CD1 4.03Å; L1299-I1301 HydrophobicContact CD2-CG1 4.23Å; L1299-I1301 HydrophobicContact CG-CG1 4.26Å; L1299-I1301 HydrophobicContact CG-CG2 4.07Å
1302	R	82.9	Confident	78.8	Confident	73 Å²	73	71.7 Å²	71.7	28%	0.275	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-91.1	130.7	-174	-169.3	172.2	-178.2	-134.2	-7.6	112.1	V1122 D1123 E1128 N1304 R1305	V1122-R1302 HydrophobicContact CG2-CB 4.08Å; V1122-R1302 HydrophobicContact CG2-CG 4.43Å; V1122-R1302 VanDerWaalsContact O-CA 3.3Å; V1122-R1302 WeakPolarHBondContact O-CA 3.27Å; D1123-R1302 PolarHBondContact O-NE 3.38Å; D1123-R1302 PolarHBondContact O-NH2 2.95Å; D1123-R1302 VanDerWaalsContact O-NH2 3.16Å; E1128-R1302 WeakPolarHBondContact OE2-CB 3.4Å; R1302-N1304 PolarHBondContact O-N 3.19Å; R1302-R1305 HydrophobicContact CB-CG 4.46Å
1303	S	69.9	Low	77.8	Confident	33 Å²	33	76.7 Å²	76.7	23%	0.231	41%	0.406	C	S	.	.	S	Bend	trans	-60.5	-41.3	-175.6	62.7	0	0	0	0	114.3	V1122 D1123	V1122-S1303 PolarHBondContact O-N 3.37Å; D1123-S1303 VanDerWaalsContact OD1-CB 3.24Å; D1123-S1303 WeakPolarHBondContact OD1-CB 3.49Å; D1123-S1303 PolarHBondContact OD1-OG 3.43Å
1304	N	64.6	Low	77	Confident	111 Å²	111	81.5 Å²	81.5	59%	0.594	43%	0.426	S	S	*	.			trans	-120.2	80.8	-173.8	-66.5	-71.3	0	0	0	110.5	R1302	R1302-N1304 PolarHBondContact O-N 3.19Å
1305	R	49	Very low	75.9	Confident	123 Å²	123	83.7 Å²	83.7	46%	0.464	44%	0.437	S	S	.	.			trans	-97	87.2	158.3	-73.6	-165.8	-175	163.7	6.7	109.5	E1128 L1299 R1302	E1128-R1305 IonicContact OE1-CZ 3.04Å; E1128-R1305 IonicContact OE1-NH2 3.3Å; E1128-R1305 PolarHBondContact OE1-NH2 3.34Å; E1128-R1305 IonicContact OE2-NE 2.79Å; E1128-R1305 IonicContact OE2-NH2 3.14Å; L1299-R1305 PolarHBondContact O-NH2 3.27Å; R1302-R1305 HydrophobicContact CB-CG 4.46Å
1306	S	32.5	Very low	74.9	Confident	180 Å²	180	74.8 Å²	74.8	100%	1.259	40%	0.4	S	S	*	.			trans	-72.6	0	150.6	58	0	0	0	0	109.6

Retrieved 1,306 of 1,306 residues in 1641.4 ms (Link to these results)

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