A0A087Y2U0_POEFO 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 A0A087Y2U0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,222 aa.

						>A0A087Y2U0_POEFO|A0A087Y2U0
MLTKFETKSARVKGLSFHPKRPWVLASLHNGVIQLWDYRMCTLIDKFDEHDGPVRGIDFHKQQPLFVSGGDDYKIKVWNYKLRRCLFTLLGHLDYIRTTFFHHEYPWILSASDDQTIRIWNWQSRTCVCVLTGHNHYVMCAQFHPSEDLVVSASLDQTVRVWDISGLRKKNLSPGAVETDVRGITGVDLFGASDAVVKHVLEGHDRGVNWAAFHPTMPLIVSGADDRQVKIWRMNESKAWELDTCRGHYNNVSCAVFHPRQELILSNSEDKSIRVWDMSKRTGVQTFRRDHDRFWVLGAHPNLNLFAAGHDSGMIVFKLERERPAYAVHGNMLYYVKDRFLRQLDFNSSKDTAVMQLRSGSKFPVFSMSYNPAENAVLLCTRATNLENSTYDLYSIPKESDSQNPDAPEGKRSSGLTAVWVARNRFAVLDRMHSLLIKNLKNEIVKKVQVPSCEEIFYAGTGSLLLRDADGVTLFDVQQKRSLATVKIAKVKYVVWSSDTSHVALLAKHAIMICNRKLESLCNIHENIRVKSGAWDESGVFIYTTSNHIKYALTSGDHGIIRTLDLPIYVTRVRGNSVYCLDRECRPRVLTIDPTEYRFKLALVNRKYDEVLHMVRNAKLVGQSIIAYLQKKGYPEVALHFVKDEKTRFSLALECGNIEVALEAAKALDERSCWERLGEAALLQGHHQVVEMCYQRTKNFDKLTFLYLITGNLAKLRKMMKIAEIRKDMSGHYQAALYLGDVSERVRILKNCGQKSLAYLTAATHGLDEEAEALKETFDPEKETVPEVDPNAQLLQPPPPINPLDTNWPLLTVSKGFFEGAIAAKGKAVQMAADLDMEAAGGEGWGDDAELTMDEDGFIDAQDGLGDEGLGKEEGGGWDIDEEVELPPELDVPLGAGGSTEDGFFVPPTKGMSPTQMWCNNSQLPVDHILAGSFETAMRLLHDQVGVVNFDPYKSLFMQTLSRGRTSYLGLPSLPCLRGHPQRNWKDCGAKQGLPAVGLRLSDLISRLQQCYQLTTAGRFEEAVERFRAILLSVPLLVVDNKQEIAEAQQLITICREYIVGLTMEVERKKLPKETLDQQKRICEMAAYFTHCNLQPVHMVLVLRTALNLFFKLRNFKTAAGFARRLLELGPKPDVAQQTRKILAACEKTLTDTHQLNYDPHNPFDLCAASFVPLYRGRPVEKCPLSGACYCPPYKGQICRVTQVTEIGKDVIGLRVSPLQFR
					

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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	75.1	Confident	88.4	Confident	52 Å²	52	64.5 Å²	64.5	26%	0.256	33%	0.325	S	S	.	.				0	130.1	0	-171.7	-176.8	-144.7	0	0	109.8	I273 F287 I315 F317 K318	M1-I273 HydrophobicContact CE-CD1 3.93Å; M1-F287 HydrophobicContact CB-CD1 3.52Å; M1-F287 HydrophobicContact CB-CD2 3.91Å; M1-F287 HydrophobicContact CB-CE1 3.39Å; M1-F287 HydrophobicContact CB-CE2 3.77Å; M1-F287 HydrophobicContact CB-CG 3.81Å; M1-F287 HydrophobicContact CB-CZ 3.54Å; M1-F287 HydrophobicContact CG-CD1 4.48Å; M1-F287 HydrophobicContact CG-CG 4.46Å; M1-F287 VanDerWaalsContact N-CE1 3.33Å; M1-F287 HydrophobicContact SD-CB 4.07Å; M1-F287 HydrophobicContact SD-CD1 4.16Å; M1-F287 HydrophobicContact SD-CD2 4.38Å; M1-F287 HydrophobicContact SD-CG 3.89Å; M1-I315 HydrophobicContact CE-CD1 3.48Å; M1-I315 VanDerWaalsContact CE-CD1 3.48Å; M1-I315 HydrophobicContact CE-CG1 4.29Å; M1-F317 HydrophobicContact CE-CB 3.8Å; M1-F317 HydrophobicContact CE-CD1 3.33Å; M1-F317 HydrophobicContact CE-CD2 3.62Å; M1-F317 HydrophobicContact CE-CE1 3.66Å; M1-F317 HydrophobicContact CE-CE2 3.92Å; M1-F317 HydrophobicContact CE-CG 3.29Å; M1-F317 HydrophobicContact CE-CZ 3.93Å; M1-F317 HydrophobicContact CG-CB 3.8Å; M1-F317 HydrophobicContact CG-CD2 3.69Å; M1-F317 HydrophobicContact CG-CE2 4.46Å; M1-F317 HydrophobicContact CG-CG 3.89Å; M1-F317 HydrophobicContact SD-CD2 4.49Å; M1-F317 HydrophobicContact SD-CG 4.44Å; M1-K318 CarbonylContact C-O 3.52Å; M1-K318 WeakPolarHBondContact CA-O 3.34Å
2	L	82.3	Confident	89.2	Confident	82 Å²	82	59.2 Å²	59.2	43%	0.429	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	96.1	175.1	-66.3	171.3	0	0	0	108.5	K4 F317 K318	L2-K4 PolarHBondContact O-N 2.89Å; L2-F317 WeakPolarHBondContact O-CA 3.47Å; L2-K318 HydrophobicContact CB-CG 3.93Å; L2-K318 HydrophobicContact CD1-CG 4.43Å; L2-K318 PolarHBondContact N-O 3.35Å; L2-K318 PolarHBondContact O-N 3.45Å; L2-K318 VanDerWaalsContact O-N 3.13Å
3	T	86.4	Confident	89.6	Confident	71 Å²	71	57.4 Å²	57.4	44%	0.436	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	133.8	177.5	-43.8	0	0	0	0	110.5	E6	T3-E6 HydrophobicContact CG2-CB 4.25Å
4	K	83.8	Confident	90.1	Very high	75 Å²	75	53.5 Å²	53.5	33%	0.326	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-46.4	177.7	-69.7	-74.5	-171.8	146.7	0	111	L2 L305 V316 K318	L2-K4 PolarHBondContact O-N 2.89Å; K4-L305 HydrophobicContact CG-CD2 4.01Å; K4-V316 HydrophobicContact CB-CG1 4.36Å; K4-V316 WeakPolarHBondContact CB-O 3.43Å; K4-V316 PolarHBondContact N-O 3.47Å; K4-K318 VanDerWaalsContact CE-CD 3.5Å
5	F	87.8	Confident	90.5	Very high	8 Å²	8	51.1 Å²	51.1	4%	0.035	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144	-171.2	160.1	-98.6	0	0	0	107.4	T7 V24 W36 C41 M314 V316	F5-T7 HydrophobicContact CD2-CG2 4.39Å; F5-T7 HydrophobicContact CE1-CG2 4.1Å; F5-T7 HydrophobicContact CE2-CG2 3.42Å; F5-T7 VanDerWaalsContact CE2-CG2 3.42Å; F5-T7 HydrophobicContact CZ-CG2 3.25Å; F5-V24 HydrophobicContact CE1-CG1 4.37Å; F5-W36 HydrophobicContact CE1-CB 4.26Å; F5-W36 HydrophobicContact CE1-CG 4.43Å; F5-W36 HydrophobicContact CE2-CD2 4.32Å; F5-W36 AromaticContact CE2-CE3 3.72Å; F5-W36 HydrophobicContact CE2-CE3 3.72Å; F5-W36 HydrophobicContact CE2-CZ3 4.22Å; F5-W36 HydrophobicContact CZ-CB 3.82Å; F5-W36 AromaticContact CZ-CD2 3.63Å; F5-W36 HydrophobicContact CZ-CD2 3.63Å; F5-W36 AromaticContact CZ-CE3 3.51Å; F5-W36 HydrophobicContact CZ-CE3 3.51Å; F5-W36 AromaticContact CZ-CG 3.8Å; F5-W36 HydrophobicContact CZ-CG 3.8Å; F5-W36 HydrophobicContact CZ-CZ3 4.26Å; F5-C41 HydrophobicContact CD2-CB 3.87Å; F5-C41 HydrophobicContact CE2-CB 4.26Å; F5-M314 HydrophobicContact CE1-CE 4.31Å; F5-M314 HydrophobicContact CE1-CG 4.21Å; F5-M314 HydrophobicContact CE1-SD 4.03Å; F5-V316 HydrophobicContact CB-CB 4.25Å; F5-V316 HydrophobicContact CD1-CB 4.04Å; F5-V316 HydrophobicContact CD1-CG2 3.75Å; F5-V316 HydrophobicContact CE1-CG2 4.41Å; F5-V316 PolarHBondContact N-O 3.41Å; F5-V316 PolarHBondContact O-N 3.27Å
6	E	90.7	Very high	90.8	Very high	84 Å²	84	48.7 Å²	48.7	39%	0.393	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	135.5	-179.1	169.5	162.5	-173.4	0	0	107.6	T3 R289 M314 I315	T3-E6 HydrophobicContact CG2-CB 4.25Å; E6-R289 IonicContact OE1-CZ 2.77Å; E6-R289 IonicContact OE1-NH1 2.73Å; E6-R289 PolarHBondContact OE1-NH1 3.2Å; E6-R289 IonicContact OE1-NH2 2.82Å; E6-R289 PolarHBondContact OE1-NH2 2.99Å; E6-R289 IonicContact OE2-CZ 3.28Å; E6-R289 IonicContact OE2-NH2 2.98Å; E6-R289 PolarHBondContact OE2-NH2 3.19Å; E6-M314 WeakPolarHBondContact CA-O 3.33Å; E6-I315 HydrophobicContact CB-CG2 3.95Å; E6-I315 HydrophobicContact CG-CG2 3.7Å
7	T	92.4	Very high	91.1	Very high	16 Å²	16	46.3 Å²	46.3	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.5	178.6	46.1	0	0	0	0	110.5	F5 W36 G313 M314	F5-T7 HydrophobicContact CD2-CG2 4.39Å; F5-T7 HydrophobicContact CE1-CG2 4.1Å; F5-T7 HydrophobicContact CE2-CG2 3.42Å; F5-T7 VanDerWaalsContact CE2-CG2 3.42Å; F5-T7 HydrophobicContact CZ-CG2 3.25Å; T7-W36 HydrophobicContact CG2-CD2 4.18Å; T7-W36 HydrophobicContact CG2-CE3 3.93Å; T7-W36 HydrophobicContact CG2-CH2 3.52Å; T7-W36 HydrophobicContact CG2-CZ2 3.76Å; T7-W36 HydrophobicContact CG2-CZ3 3.6Å; T7-G313 WeakPolarHBondContact O-CA 3.44Å; T7-M314 PolarHBondContact N-O 3.2Å; T7-M314 PolarHBondContact O-N 2.94Å
8	K	92.6	Very high	91.2	Very high	189 Å²	189	44.4 Å²	44.4	82%	0.822	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.3	168.6	-64.2	-174.1	177.4	-174	0	109.5	S312	K8-S312 VanDerWaalsContact CA-O 3.27Å; K8-S312 WeakPolarHBondContact CA-O 3.47Å
9	S	92.9	Very high	91	Very high	27 Å²	27	43.4 Å²	43.4	19%	0.189	22%	0.221	C	C	.	.			trans	-153.9	-177.2	176.1	64.8	0	0	0	0	109.6	S312 G313	S9-S312 PolarHBondContact N-O 2.93Å; S9-S312 CarbonylContact O-C 3.53Å; S9-S312 VanDerWaalsContact O-O 3.09Å; S9-G313 VanDerWaalsContact OG-CA 3.3Å; S9-G313 WeakPolarHBondContact OG-CA 3.34Å
10	A	93.1	Very high	90.6	Very high	42 Å²	42	50.5 Å²	50.5	35%	0.347	25%	0.25	S	S	.	.	S	Bend	trans	-58.9	161.1	160.2	0	0	0	0	0	110.6	V12 L28	A10-V12 PolarHBondContact O-N 3.35Å; A10-L28 HydrophobicContact CB-CB 4.47Å; A10-L28 HydrophobicContact CB-CD1 4.28Å
11	R	95.6	Very high	90.5	Very high	64 Å²	64	53.6 Å²	53.6	24%	0.242	26%	0.259	C	S	.	.			trans	-45.3	122.9	178.8	172.7	-173.4	-67.6	144.5	0.4	111.7	K13 L28 H29 H310 D311	R11-K13 HydrophobicContact CG-CD 4.37Å; R11-K13 HydrophobicContact CG-CG 4.45Å; R11-L28 CarbonylContact O-C 3.54Å; R11-L28 WeakPolarHBondContact O-CA 3.42Å; R11-H29 HydrophobicContact CB-CB 3.84Å; R11-H29 HydrophobicContact CG-CB 4.23Å; R11-H29 PolarHBondContact NH1-CD2 3.04Å; R11-H29 PolarHBondContact NH1-NE2 3.26Å; R11-H29 WeakPolarHBondContact O-CB 3.37Å; R11-H29 PolarHBondContact O-N 3.11Å; R11-H310 WeakPolarHBondContact CA-O 3.46Å; R11-D311 WeakPolarHBondContact CA-O 3.21Å; R11-D311 IonicContact CZ-OD1 3.9Å; R11-D311 PolarHBondContact N-O 2.82Å; R11-D311 IonicContact NE-OD1 2.71Å; R11-D311 PolarHBondContact NE-OD1 3.31Å; R11-D311 IonicContact NH2-OD1 2.76Å; R11-D311 PolarHBondContact NH2-OD1 3.41Å
12	V	97.1	Very high	91.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126.4	177.1	175.7	0	0	0	0	109.4	A10 G14 L15 A26 S27 L28 V296 H310 G313 M314	A10-V12 PolarHBondContact O-N 3.35Å; V12-G14 WeakPolarHBondContact CG1-O 3.46Å; V12-L15 HydrophobicContact CG1-CD1 4.47Å; V12-L15 HydrophobicContact CG1-CD2 3.88Å; V12-L15 HydrophobicContact CG1-CG 3.87Å; V12-A26 HydrophobicContact CG1-CB 3.99Å; V12-A26 HydrophobicContact CG2-CB 4.31Å; V12-S27 WeakPolarHBondContact CA-O 3.41Å; V12-L28 HydrophobicContact CB-CD2 4.41Å; V12-L28 HydrophobicContact CG2-CD2 3.5Å; V12-V296 HydrophobicContact CG1-CG1 4.45Å; V12-H310 PolarHBondContact N-O 3.18Å; V12-H310 VanDerWaalsContact N-O 3.16Å; V12-G313 WeakPolarHBondContact CB-O 3.39Å; V12-G313 VanDerWaalsContact CG2-C 3.48Å; V12-G313 VanDerWaalsContact CG2-O 3.23Å; V12-G313 WeakPolarHBondContact CG2-O 3.31Å; V12-M314 HydrophobicContact CG2-CB 4.18Å
13	K	95.5	Very high	91.7	Very high	36 Å²	36	50 Å²	50	16%	0.157	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-29.7	-177.6	-77.8	-58.4	-154.3	179.8	0	113.9	R11 S27 H29 R55 W295 V296	R11-K13 HydrophobicContact CG-CD 4.37Å; R11-K13 HydrophobicContact CG-CG 4.45Å; K13-S27 PolarHBondContact N-O 2.84Å; K13-H29 HydrophobicContact CG-CB 4.45Å; K13-R55 HydrophobicContact CB-CG 4.44Å; K13-W295 HydrophobicContact CD-CB 4.22Å; K13-W295 HydrophobicContact CD-CD2 4.48Å; K13-W295 HydrophobicContact CD-CG 4.23Å; K13-W295 VanDerWaalsContact NZ-CD2 3.26Å; K13-V296 WeakPolarHBondContact O-CB 3.36Å; K13-V296 WeakPolarHBondContact O-CG1 3.38Å
14	G	95.6	Very high	92.1	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.9	175.7	0	0	0	0	0	111.9	V12 A26 S27 R55 I57	V12-G14 WeakPolarHBondContact CG1-O 3.46Å; G14-A26 WeakPolarHBondContact O-CA 3.49Å; G14-S27 WeakPolarHBondContact CA-OG 3.48Å; G14-S27 PolarHBondContact N-O 3.29Å; G14-S27 PolarHBondContact N-OG 3.5Å; G14-S27 PolarHBondContact O-N 3.29Å; G14-R55 WeakPolarHBondContact CA-O 3.33Å; G14-I57 VanDerWaalsContact C-CG2 3.43Å
15	L	96.6	Very high	92.7	Very high	17 Å²	17	43.1 Å²	43.1	9%	0.089	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	131.2	179.3	-77.4	174.1	0	0	0	110.7	V12 V24 L25 A26 V296 A307 G309 M314	V12-L15 HydrophobicContact CG1-CD1 4.47Å; V12-L15 HydrophobicContact CG1-CD2 3.88Å; V12-L15 HydrophobicContact CG1-CG 3.87Å; L15-V24 HydrophobicContact CD2-CG2 4.04Å; L15-L25 WeakPolarHBondContact CA-O 3.44Å; L15-A26 HydrophobicContact CD2-CB 3.77Å; L15-V296 HydrophobicContact CB-CG1 4.38Å; L15-V296 HydrophobicContact CD1-CG1 3.97Å; L15-V296 HydrophobicContact CG-CG1 3.97Å; L15-A307 HydrophobicContact CD1-CB 3.69Å; L15-A307 HydrophobicContact CD2-CB 4.41Å; L15-G309 VanDerWaalsContact CD1-N 3.26Å; L15-M314 HydrophobicContact CD2-CB 4.43Å; L15-M314 HydrophobicContact CD2-SD 3.88Å
16	S	95.6	Very high	93.1	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.1	169.4	-176.9	0	0	0	0	112	V24 L25 D58 F59	S16-V24 WeakPolarHBondContact O-CA 3.42Å; S16-L25 PolarHBondContact N-O 2.98Å; S16-L25 VanDerWaalsContact N-O 3.11Å; S16-L25 PolarHBondContact O-N 2.84Å; S16-D58 PolarHBondContact OG-OD1 2.92Å; S16-F59 PolarHBondContact OG-N 3.07Å
17	F	95.1	Very high	93.4	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.035	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.7	178.1	-83.4	-69.3	0	0	0	110.9	P19 V24 Y38 F59 H300 L305 A307 V316	F17-P19 WeakPolarHBondContact O-CD 3.35Å; F17-V24 HydrophobicContact CD1-CB 4.12Å; F17-V24 HydrophobicContact CD1-CG2 4.26Å; F17-V24 HydrophobicContact CE1-CB 4.15Å; F17-V24 HydrophobicContact CE1-CG2 4.25Å; F17-Y38 HydrophobicContact CD1-CD1 4.28Å; F17-Y38 AromaticContact CD1-CE1 3.69Å; F17-Y38 HydrophobicContact CD1-CE1 3.69Å; F17-Y38 AromaticContact CE1-CD1 3.91Å; F17-Y38 HydrophobicContact CE1-CD1 3.91Å; F17-Y38 AromaticContact CE1-CE1 3.61Å; F17-Y38 HydrophobicContact CE1-CE1 3.61Å; F17-F59 VanDerWaalsContact C-CD2 3.45Å; F17-H300 HydrophobicContact CB-CB 4.45Å; F17-H300 HydrophobicContact CD1-CB 4.46Å; F17-H300 AromaticContact CD1-CD2 3.8Å; F17-H300 HydrophobicContact CD2-CB 3.81Å; F17-H300 HydrophobicContact CE2-CB 4.04Å; F17-H300 HydrophobicContact CG-CB 4.01Å; F17-H300 AromaticContact CG-CD2 3.88Å; F17-H300 HydrophobicContact CZ-CB 4.47Å; F17-L305 HydrophobicContact CZ-CB 4.41Å; F17-A307 HydrophobicContact CE2-CB 3.73Å; F17-A307 HydrophobicContact CZ-CB 3.64Å; F17-V316 HydrophobicContact CE1-CG1 4.33Å; F17-V316 HydrophobicContact CZ-CG1 4.16Å; F17-V316 HydrophobicContact CZ-CG2 4.44Å
18	H	93.6	Very high	93.6	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.06	18%	0.18	C	C	.	.			trans	-67.8	129.6	169.5	-171.1	-38.8	0	0	0	109	K20 R21 W23 F59 Y80	H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact ND1-N 2.97Å; H18-K20 PolarHBondContact O-N 3.04Å; H18-K20 VanDerWaalsContact O-N 3.16Å; H18-R21 HydrophobicContact CB-CB 4.25Å; H18-R21 PolarHBondContact ND1-N 3.09Å; H18-W23 HydrophobicContact CB-CB 3.97Å; H18-W23 AromaticContact CD2-CE3 3.74Å; H18-W23 PolarHBondContact N-O 3.01Å; H18-F59 HydrophobicContact CB-CD1 4.48Å; H18-F59 HydrophobicContact CB-CD2 4.03Å; H18-F59 HydrophobicContact CB-CE1 4.24Å; H18-F59 HydrophobicContact CB-CE2 3.74Å; H18-F59 HydrophobicContact CB-CG 4.36Å; H18-F59 HydrophobicContact CB-CZ 3.84Å; H18-F59 AromaticContact CD2-CE1 3.89Å; H18-F59 VanDerWaalsContact N-CD2 3.34Å; H18-Y80 AromaticContact NE2-CZ 3.77Å; H18-Y80 PolarHBondContact NE2-OH 3.32Å
19	P	86.4	Confident	93.8	Very high	25 Å²	25	32.4 Å²	32.4	16%	0.162	16%	0.156	C	C	.	.	S	Bend	trans	-62.3	-27.6	-172.8	-29	35.2	0	0	0	116.9	F17	F17-P19 WeakPolarHBondContact O-CD 3.35Å
20	K	84.4	Confident	93.8	Very high	185 Å²	185	35.5 Å²	35.5	80%	0.804	17%	0.17	S	C	*	.	S	Bend	trans	-118.1	-40.9	-174.5	-63.4	-176.2	-179.1	-179.7	0	113.1	H18	H18-K20 VanDerWaalsContact C-N 3.31Å; H18-K20 PolarHBondContact ND1-N 2.97Å; H18-K20 PolarHBondContact O-N 3.04Å; H18-K20 VanDerWaalsContact O-N 3.16Å
21	R	87.6	Confident	93.9	Very high	115 Å²	115	33.5 Å²	33.5	43%	0.434	15%	0.154	S	C	.	.	S	Bend	trans	-85	152.2	-178.7	-64.4	-175.7	173.7	-129.4	-8	110.3	H18 W23	H18-R21 HydrophobicContact CB-CB 4.25Å; H18-R21 PolarHBondContact ND1-N 3.09Å; R21-W23 HydrophobicContact CB-CD2 3.76Å; R21-W23 HydrophobicContact CB-CE3 4.13Å; R21-W23 HydrophobicContact CB-CG 3.92Å; R21-W23 HydrophobicContact CG-CD2 4.48Å; R21-W23 PolarHBondContact O-N 3.25Å
22	P	88.9	Confident	93.9	Very high	26 Å²	26	30.7 Å²	30.7	17%	0.169	14%	0.144	C	C	.	.	S	Bend	trans	-78.5	47.2	-179.1	36.3	-39.1	0	0	0	112.6	D37 Y38 R39	P22-D37 WeakPolarHBondContact CG-OD2 3.44Å; P22-Y38 VanDerWaalsContact C-CD1 3.48Å; P22-Y38 HydrophobicContact CB-CE1 4.44Å; P22-Y38 HydrophobicContact CB-CE2 4.16Å; P22-Y38 WeakPolarHBondContact O-CD1 3.4Å; P22-Y38 VanDerWaalsContact O-CE1 3.27Å; P22-Y38 WeakPolarHBondContact O-CE1 3.35Å; P22-Y38 PolarHBondContact O-N 2.97Å; P22-Y38 VanDerWaalsContact O-N 3.08Å; P22-R39 HydrophobicContact CB-CB 4.36Å; P22-R39 HydrophobicContact CB-CG 3.79Å
23	W	93.2	Very high	93.9	Very high	34 Å²	34	30.7 Å²	30.7	13%	0.129	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.3	-171	-58.4	-14.8	0	0	0	111.6	H18 R21 L35 W36 D37 I44 Y80	H18-W23 HydrophobicContact CB-CB 3.97Å; H18-W23 AromaticContact CD2-CE3 3.74Å; H18-W23 PolarHBondContact N-O 3.01Å; R21-W23 HydrophobicContact CB-CD2 3.76Å; R21-W23 HydrophobicContact CB-CE3 4.13Å; R21-W23 HydrophobicContact CB-CG 3.92Å; R21-W23 HydrophobicContact CG-CD2 4.48Å; R21-W23 PolarHBondContact O-N 3.25Å; W23-L35 HydrophobicContact CB-CD1 4.04Å; W23-L35 HydrophobicContact CE3-CD1 4.22Å; W23-L35 HydrophobicContact CE3-CD2 4.31Å; W23-L35 HydrophobicContact CZ3-CD2 4.37Å; W23-W36 CarbonylContact C-O 3.49Å; W23-W36 VanDerWaalsContact CA-O 3.23Å; W23-W36 WeakPolarHBondContact CA-O 3.38Å; W23-D37 PolarHBondContact NE1-OD2 3.29Å; W23-I44 HydrophobicContact CD2-CD1 3.8Å; W23-I44 VanDerWaalsContact CE2-CD1 3.48Å; W23-I44 HydrophobicContact CG-CD1 3.83Å; W23-I44 HydrophobicContact CZ2-CD1 4Å; W23-I44 VanDerWaalsContact NE1-CD1 3.34Å; W23-Y80 HydrophobicContact CH2-CE2 4.5Å; W23-Y80 AromaticContact CZ3-CD2 3.89Å; W23-Y80 HydrophobicContact CZ3-CD2 3.89Å; W23-Y80 AromaticContact CZ3-CE2 3.71Å; W23-Y80 HydrophobicContact CZ3-CE2 3.71Å
24	V	95.8	Very high	93.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.7	171.1	63.7	0	0	0	0	108.7	F5 L15 S16 F17 W36 Y38 A307 M314 V316	F5-V24 HydrophobicContact CE1-CG1 4.37Å; L15-V24 HydrophobicContact CD2-CG2 4.04Å; S16-V24 WeakPolarHBondContact O-CA 3.42Å; F17-V24 HydrophobicContact CD1-CB 4.12Å; F17-V24 HydrophobicContact CD1-CG2 4.26Å; F17-V24 HydrophobicContact CE1-CB 4.15Å; F17-V24 HydrophobicContact CE1-CG2 4.25Å; V24-W36 HydrophobicContact CG1-CB 3.98Å; V24-W36 PolarHBondContact N-O 3.5Å; V24-W36 PolarHBondContact O-N 3.43Å; V24-Y38 HydrophobicContact CB-CD1 4.18Å; V24-Y38 HydrophobicContact CG1-CD1 4.25Å; V24-A307 HydrophobicContact CG2-CB 4.35Å; V24-M314 HydrophobicContact CG1-SD 3.95Å; V24-M314 HydrophobicContact CG2-SD 4.44Å; V24-V316 HydrophobicContact CG1-CG2 4.26Å
25	L	96.4	Very high	94	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.8	166.1	-82.4	168.5	0	0	0	108.6	L15 S16 I33 Q34 L35 I57 F59 F66	L15-L25 WeakPolarHBondContact CA-O 3.44Å; S16-L25 PolarHBondContact N-O 2.98Å; S16-L25 VanDerWaalsContact N-O 3.11Å; S16-L25 PolarHBondContact O-N 2.84Å; L25-I33 HydrophobicContact CD2-CG2 3.81Å; L25-Q34 WeakPolarHBondContact CA-O 3.48Å; L25-L35 HydrophobicContact CD2-CB 3.92Å; L25-L35 HydrophobicContact CD2-CD1 3.87Å; L25-L35 HydrophobicContact CD2-CG 4.47Å; L25-L35 HydrophobicContact CG-CD1 4.02Å; L25-I57 HydrophobicContact CB-CD1 3.77Å; L25-I57 HydrophobicContact CB-CG1 4.25Å; L25-I57 HydrophobicContact CD1-CD1 4.13Å; L25-I57 HydrophobicContact CD1-CG1 4.22Å; L25-I57 HydrophobicContact CD2-CD1 4.31Å; L25-I57 HydrophobicContact CG-CD1 4.29Å; L25-F59 HydrophobicContact CB-CE2 3.95Å; L25-F59 HydrophobicContact CB-CZ 4.43Å; L25-F59 HydrophobicContact CD1-CD1 3.95Å; L25-F59 HydrophobicContact CD1-CD2 3.77Å; L25-F59 HydrophobicContact CD1-CE1 3.66Å; L25-F59 HydrophobicContact CD1-CE2 3.48Å; L25-F59 VanDerWaalsContact CD1-CE2 3.48Å; L25-F59 HydrophobicContact CD1-CG 4.01Å; L25-F59 HydrophobicContact CD1-CZ 3.44Å; L25-F59 VanDerWaalsContact CD1-CZ 3.44Å; L25-F59 HydrophobicContact CD2-CZ 4.49Å; L25-F59 HydrophobicContact CG-CD2 4.21Å; L25-F59 HydrophobicContact CG-CE1 4.18Å; L25-F59 HydrophobicContact CG-CE2 3.48Å; L25-F59 VanDerWaalsContact CG-CE2 3.48Å; L25-F59 HydrophobicContact CG-CZ 3.47Å; L25-F59 VanDerWaalsContact CG-CZ 3.47Å; L25-F66 HydrophobicContact CD1-CB 3.54Å; L25-F66 HydrophobicContact CD1-CD1 4.02Å; L25-F66 HydrophobicContact CD1-CD2 3.81Å; L25-F66 HydrophobicContact CD1-CG 3.53Å
26	A	97.1	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125.5	169.9	0	0	0	0	0	109.8	V12 G14 L15 Q34 M314	V12-A26 HydrophobicContact CG1-CB 3.99Å; V12-A26 HydrophobicContact CG2-CB 4.31Å; G14-A26 WeakPolarHBondContact O-CA 3.49Å; L15-A26 HydrophobicContact CD2-CB 3.77Å; A26-Q34 PolarHBondContact N-O 2.89Å; A26-Q34 PolarHBondContact O-N 2.7Å; A26-M314 HydrophobicContact CB-CE 3.33Å; A26-M314 HydrophobicContact CB-SD 3.93Å
27	S	96.7	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.4	172.7	69.8	0	0	0	0	110.2	V12 K13 G14 V54	V12-S27 WeakPolarHBondContact CA-O 3.41Å; K13-S27 PolarHBondContact N-O 2.84Å; G14-S27 WeakPolarHBondContact CA-OG 3.48Å; G14-S27 PolarHBondContact N-O 3.29Å; G14-S27 PolarHBondContact N-OG 3.5Å; G14-S27 PolarHBondContact O-N 3.29Å; S27-V54 VanDerWaalsContact CB-O 3.29Å; S27-V54 WeakPolarHBondContact CB-O 3.45Å; S27-V54 PolarHBondContact OG-O 3.48Å
28	L	96.8	Very high	93.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	156.8	-172	-53.5	-166.5	0	0	0	111.6	A10 R11 V12 N30 G31 V32 Q34 V54	A10-L28 HydrophobicContact CB-CB 4.47Å; A10-L28 HydrophobicContact CB-CD1 4.28Å; R11-L28 CarbonylContact O-C 3.54Å; R11-L28 WeakPolarHBondContact O-CA 3.42Å; V12-L28 HydrophobicContact CB-CD2 4.41Å; V12-L28 HydrophobicContact CG2-CD2 3.5Å; L28-N30 WeakPolarHBondContact CB-OD1 3.46Å; L28-N30 PolarHBondContact O-N 3.14Å; L28-N30 VanDerWaalsContact O-N 3.16Å; L28-G31 PolarHBondContact O-N 3.46Å; L28-V32 HydrophobicContact CB-CB 4.35Å; L28-V32 VanDerWaalsContact CB-O 3.23Å; L28-V32 WeakPolarHBondContact CB-O 3.16Å; L28-V32 HydrophobicContact CD1-CB 4.09Å; L28-V32 HydrophobicContact CD1-CG1 4.12Å; L28-V32 HydrophobicContact CG-CB 4.36Å; L28-V32 WeakPolarHBondContact CG-O 3.22Å; L28-V32 PolarHBondContact N-O 3.21Å; L28-Q34 HydrophobicContact CD1-CG 4.16Å; L28-Q34 HydrophobicContact CG-CG 4.5Å; L28-V54 PolarHBondContact O-N 3.43Å; L28-V54 VanDerWaalsContact O-N 3.16Å
29	H	95.3	Very high	92.8	Very high	69 Å²	69	33.5 Å²	33.5	32%	0.319	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.5	177.2	-170.2	49.2	0	0	0	114	R11 K13 P53	R11-H29 HydrophobicContact CB-CB 3.84Å; R11-H29 HydrophobicContact CG-CB 4.23Å; R11-H29 PolarHBondContact NH1-CD2 3.04Å; R11-H29 PolarHBondContact NH1-NE2 3.26Å; R11-H29 WeakPolarHBondContact O-CB 3.37Å; R11-H29 PolarHBondContact O-N 3.11Å; K13-H29 HydrophobicContact CG-CB 4.45Å; H29-P53 WeakPolarHBondContact ND1-CB 3.23Å; H29-P53 VanDerWaalsContact ND1-CG 3.27Å; H29-P53 WeakPolarHBondContact ND1-CG 3.39Å; H29-P53 WeakPolarHBondContact O-CA 3.49Å; H29-P53 VanDerWaalsContact O-CG 3.3Å; H29-P53 WeakPolarHBondContact O-CG 3.33Å
30	N	94.5	Very high	92.4	Very high	91 Å²	91	37.3 Å²	37.3	49%	0.487	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	22.1	178	71.3	-34.8	0	0	0	113.6	L28 V32	L28-N30 WeakPolarHBondContact CB-OD1 3.46Å; L28-N30 PolarHBondContact O-N 3.14Å; L28-N30 VanDerWaalsContact O-N 3.16Å; N30-V32 PolarHBondContact O-N 3.42Å
31	G	93.9	Very high	92.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	86.7	-23.5	-180	0	0	0	0	0	115.6	L28 G52	L28-G31 PolarHBondContact O-N 3.46Å; G31-G52 WeakPolarHBondContact CA-O 3.28Å; G31-G52 PolarHBondContact N-O 3Å
32	V	96.2	Very high	92.5	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	15%	0.15	C	C	.	.			trans	-69.5	138.2	-178.8	176.5	0	0	0	0	111.9	L28 N30 Q34 K46 F47 D48	L28-V32 HydrophobicContact CB-CB 4.35Å; L28-V32 VanDerWaalsContact CB-O 3.23Å; L28-V32 WeakPolarHBondContact CB-O 3.16Å; L28-V32 HydrophobicContact CD1-CB 4.09Å; L28-V32 HydrophobicContact CD1-CG1 4.12Å; L28-V32 HydrophobicContact CG-CB 4.36Å; L28-V32 WeakPolarHBondContact CG-O 3.22Å; L28-V32 PolarHBondContact N-O 3.21Å; N30-V32 PolarHBondContact O-N 3.42Å; V32-Q34 HydrophobicContact CG1-CG 3.89Å; V32-K46 HydrophobicContact CG1-CD 4.03Å; V32-K46 HydrophobicContact CG1-CG 3.58Å; V32-K46 VanDerWaalsContact CG2-CE 3.45Å; V32-F47 WeakPolarHBondContact CA-O 3.46Å; V32-D48 WeakPolarHBondContact CG2-OD1 3.27Å
33	I	96.8	Very high	92.7	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134	165.6	-59.6	167.9	0	0	0	108.7	L25 K46 F47 V54 I57 F66 S68 W78	L25-I33 HydrophobicContact CD2-CG2 3.81Å; I33-K46 WeakPolarHBondContact O-CA 3.42Å; I33-F47 HydrophobicContact CB-CB 4.23Å; I33-F47 HydrophobicContact CB-CD2 4.41Å; I33-F47 HydrophobicContact CG2-CD2 4.24Å; I33-F47 PolarHBondContact N-O 2.94Å; I33-F47 PolarHBondContact O-N 3.29Å; I33-V54 HydrophobicContact CD1-CG1 4.12Å; I33-V54 HydrophobicContact CG1-CB 4.5Å; I33-V54 HydrophobicContact CG1-CG1 4.17Å; I33-I57 HydrophobicContact CB-CD1 4.42Å; I33-I57 HydrophobicContact CD1-CD1 4.23Å; I33-I57 HydrophobicContact CG1-CD1 4.24Å; I33-I57 HydrophobicContact CG2-CD1 3.37Å; I33-F66 HydrophobicContact CD1-CE2 4.02Å; I33-F66 HydrophobicContact CG2-CE2 4.08Å; I33-F66 HydrophobicContact CG2-CZ 4.41Å; I33-S68 VanDerWaalsContact CD1-CB 3.46Å; I33-S68 WeakPolarHBondContact CD1-OG 3.25Å; I33-W78 HydrophobicContact CD1-CZ2 4.36Å
34	Q	96.2	Very high	92.7	Very high	27 Å²	27	32.5 Å²	32.5	13%	0.126	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.1	179.9	-60.4	-174	-23.5	0	0	111.5	L25 A26 L28 V32 W36 L43	L25-Q34 WeakPolarHBondContact CA-O 3.48Å; A26-Q34 PolarHBondContact N-O 2.89Å; A26-Q34 PolarHBondContact O-N 2.7Å; L28-Q34 HydrophobicContact CD1-CG 4.16Å; L28-Q34 HydrophobicContact CG-CG 4.5Å; V32-Q34 HydrophobicContact CG1-CG 3.89Å; Q34-W36 VanDerWaalsContact CB-NE1 3.35Å; Q34-L43 HydrophobicContact CB-CD1 3.89Å; Q34-L43 HydrophobicContact CG-CD1 4.32Å
35	L	96.4	Very high	92.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.6	173.6	178	62.6	0	0	0	110	W23 L25 I44 D45 F47 F59	W23-L35 HydrophobicContact CB-CD1 4.04Å; W23-L35 HydrophobicContact CE3-CD1 4.22Å; W23-L35 HydrophobicContact CE3-CD2 4.31Å; W23-L35 HydrophobicContact CZ3-CD2 4.37Å; L25-L35 HydrophobicContact CD2-CB 3.92Å; L25-L35 HydrophobicContact CD2-CD1 3.87Å; L25-L35 HydrophobicContact CD2-CG 4.47Å; L25-L35 HydrophobicContact CG-CD1 4.02Å; L35-I44 HydrophobicContact CD2-CB 4.21Å; L35-I44 HydrophobicContact CD2-CD1 4.4Å; L35-I44 HydrophobicContact CD2-CG2 4.07Å; L35-I44 HydrophobicContact CG-CB 4.08Å; L35-I44 HydrophobicContact CG-CD1 4.05Å; L35-I44 HydrophobicContact CG-CG2 4.49Å; L35-I44 WeakPolarHBondContact O-CB 3.39Å; L35-I44 PolarHBondContact O-N 2.9Å; L35-D45 HydrophobicContact CB-CB 4.44Å; L35-D45 PolarHBondContact N-O 3.46Å; L35-D45 PolarHBondContact O-N 3.17Å; L35-F47 HydrophobicContact CB-CE2 4.22Å; L35-F59 HydrophobicContact CD1-CZ 3.72Å
36	W	95.1	Very high	92.6	Very high	33 Å²	33	39.2 Å²	39.2	13%	0.125	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.9	-174.6	-71.8	90.3	0	0	0	113	F5 T7 W23 V24 Q34 T42 L43 M314	F5-W36 HydrophobicContact CE1-CB 4.26Å; F5-W36 HydrophobicContact CE1-CG 4.43Å; F5-W36 HydrophobicContact CE2-CD2 4.32Å; F5-W36 AromaticContact CE2-CE3 3.72Å; F5-W36 HydrophobicContact CE2-CE3 3.72Å; F5-W36 HydrophobicContact CE2-CZ3 4.22Å; F5-W36 HydrophobicContact CZ-CB 3.82Å; F5-W36 AromaticContact CZ-CD2 3.63Å; F5-W36 HydrophobicContact CZ-CD2 3.63Å; F5-W36 AromaticContact CZ-CE3 3.51Å; F5-W36 HydrophobicContact CZ-CE3 3.51Å; F5-W36 AromaticContact CZ-CG 3.8Å; F5-W36 HydrophobicContact CZ-CG 3.8Å; F5-W36 HydrophobicContact CZ-CZ3 4.26Å; T7-W36 HydrophobicContact CG2-CD2 4.18Å; T7-W36 HydrophobicContact CG2-CE3 3.93Å; T7-W36 HydrophobicContact CG2-CH2 3.52Å; T7-W36 HydrophobicContact CG2-CZ2 3.76Å; T7-W36 HydrophobicContact CG2-CZ3 3.6Å; W23-W36 CarbonylContact C-O 3.49Å; W23-W36 VanDerWaalsContact CA-O 3.23Å; W23-W36 WeakPolarHBondContact CA-O 3.38Å; V24-W36 HydrophobicContact CG1-CB 3.98Å; V24-W36 PolarHBondContact N-O 3.5Å; V24-W36 PolarHBondContact O-N 3.43Å; Q34-W36 VanDerWaalsContact CB-NE1 3.35Å; W36-T42 VanDerWaalsContact CE3-C 3.42Å; W36-L43 HydrophobicContact CD2-CB 4.21Å; W36-L43 HydrophobicContact CD2-CD1 3.92Å; W36-L43 HydrophobicContact CE3-CB 3.94Å; W36-L43 HydrophobicContact CG-CD1 4.27Å; W36-L43 HydrophobicContact CH2-CB 3.87Å; W36-L43 HydrophobicContact CH2-CD1 4.49Å; W36-L43 HydrophobicContact CZ2-CB 4.15Å; W36-L43 HydrophobicContact CZ2-CD1 3.9Å; W36-L43 HydrophobicContact CZ2-CG 4.49Å; W36-L43 HydrophobicContact CZ3-CB 3.77Å; W36-L43 VanDerWaalsContact CZ3-N 3.32Å; W36-M314 HydrophobicContact CG-CE 4.05Å
37	D	91.6	Very high	92.5	Very high	14 Å²	14	39.6 Å²	39.6	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	110.4	162.6	-166.8	-62.5	0	0	0	110.1	P22 W23 R39 M40 C41 T42 I44	P22-D37 WeakPolarHBondContact CG-OD2 3.44Å; W23-D37 PolarHBondContact NE1-OD2 3.29Å; D37-R39 VanDerWaalsContact C-N 3.3Å; D37-R39 PolarHBondContact O-N 3.21Å; D37-R39 WeakPolarHBondContact OD1-CA 3.41Å; D37-R39 WeakPolarHBondContact OD1-CB 3.4Å; D37-R39 PolarHBondContact OD1-N 3.12Å; D37-M40 HydrophobicContact CB-CB 4.27Å; D37-M40 PolarHBondContact OD1-N 2.99Å; D37-C41 VanDerWaalsContact O-CA 3.28Å; D37-C41 WeakPolarHBondContact O-CA 3.47Å; D37-C41 PolarHBondContact O-N 3.24Å; D37-T42 PolarHBondContact N-O 3.12Å; D37-T42 PolarHBondContact O-N 2.85Å; D37-I44 HydrophobicContact CB-CD1 4.02Å; D37-I44 HydrophobicContact CB-CG1 4.29Å
38	Y	88.1	Confident	92.4	Very high	18 Å²	18	43.9 Å²	43.9	7%	0.071	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1	-177.4	64.4	-108.1	0	0	0	113.9	F17 P22 V24 L305 V316	F17-Y38 HydrophobicContact CD1-CD1 4.28Å; F17-Y38 AromaticContact CD1-CE1 3.69Å; F17-Y38 HydrophobicContact CD1-CE1 3.69Å; F17-Y38 AromaticContact CE1-CD1 3.91Å; F17-Y38 HydrophobicContact CE1-CD1 3.91Å; F17-Y38 AromaticContact CE1-CE1 3.61Å; F17-Y38 HydrophobicContact CE1-CE1 3.61Å; P22-Y38 VanDerWaalsContact C-CD1 3.48Å; P22-Y38 HydrophobicContact CB-CE1 4.44Å; P22-Y38 HydrophobicContact CB-CE2 4.16Å; P22-Y38 WeakPolarHBondContact O-CD1 3.4Å; P22-Y38 VanDerWaalsContact O-CE1 3.27Å; P22-Y38 WeakPolarHBondContact O-CE1 3.35Å; P22-Y38 PolarHBondContact O-N 2.97Å; P22-Y38 VanDerWaalsContact O-N 3.08Å; V24-Y38 HydrophobicContact CB-CD1 4.18Å; V24-Y38 HydrophobicContact CG1-CD1 4.25Å; Y38-L305 HydrophobicContact CE2-CD1 3.59Å; Y38-V316 HydrophobicContact CD2-CG1 4.45Å; Y38-V316 HydrophobicContact CG-CG1 4.34Å
39	R	80.8	Confident	92.2	Very high	56 Å²	56	47.9 Å²	47.9	21%	0.211	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-39.8	170.4	-77.4	167	75.2	171.7	0.3	111.8	P22 D37 S546 N547 L564 D565	P22-R39 HydrophobicContact CB-CB 4.36Å; P22-R39 HydrophobicContact CB-CG 3.79Å; D37-R39 VanDerWaalsContact C-N 3.3Å; D37-R39 PolarHBondContact O-N 3.21Å; D37-R39 WeakPolarHBondContact OD1-CA 3.41Å; D37-R39 WeakPolarHBondContact OD1-CB 3.4Å; D37-R39 PolarHBondContact OD1-N 3.12Å; R39-S546 PolarHBondContact NH2-O 2.89Å; R39-N547 VanDerWaalsContact CZ-OD1 3.29Å; R39-N547 PolarHBondContact NE-OD1 3.08Å; R39-N547 PolarHBondContact NH2-OD1 3.45Å; R39-L564 PolarHBondContact NH2-O 2.96Å; R39-L564 VanDerWaalsContact NH2-O 3.09Å; R39-D565 PolarHBondContact NH1-O 2.91Å; R39-D565 PolarHBondContact NH2-O 3.07Å
40	M	78.2	Confident	92.1	Very high	104 Å²	104	45.1 Å²	45.1	51%	0.512	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-15.7	179	-66.4	-177.3	59.1	0	0	112.7	D37 T42	D37-M40 HydrophobicContact CB-CB 4.27Å; D37-M40 PolarHBondContact OD1-N 2.99Å; M40-T42 VanDerWaalsContact C-N 3.3Å; M40-T42 HydrophobicContact CB-CG2 4.19Å
41	C	84.9	Confident	91.9	Very high	71 Å²	71	47.1 Å²	47.1	48%	0.48	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	34.7	-175.7	-53.9	0	0	0	0	113	F5 D37	F5-C41 HydrophobicContact CD2-CB 3.87Å; F5-C41 HydrophobicContact CE2-CB 4.26Å; D37-C41 VanDerWaalsContact O-CA 3.28Å; D37-C41 WeakPolarHBondContact O-CA 3.47Å; D37-C41 PolarHBondContact O-N 3.24Å
42	T	89.6	Confident	91.8	Very high	61 Å²	61	48.2 Å²	48.2	37%	0.374	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.2	-175.3	50.1	0	0	0	0	111.1	W36 D37 M40	W36-T42 VanDerWaalsContact CE3-C 3.42Å; D37-T42 PolarHBondContact N-O 3.12Å; D37-T42 PolarHBondContact O-N 2.85Å; M40-T42 VanDerWaalsContact C-N 3.3Å; M40-T42 HydrophobicContact CB-CG2 4.19Å
43	L	93.8	Very high	91.8	Very high	80 Å²	80	49 Å²	49	42%	0.419	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.3	165.2	-177.3	69.2	0	0	0	107.8	Q34 W36	Q34-L43 HydrophobicContact CB-CD1 3.89Å; Q34-L43 HydrophobicContact CG-CD1 4.32Å; W36-L43 HydrophobicContact CD2-CB 4.21Å; W36-L43 HydrophobicContact CD2-CD1 3.92Å; W36-L43 HydrophobicContact CE3-CB 3.94Å; W36-L43 HydrophobicContact CG-CD1 4.27Å; W36-L43 HydrophobicContact CH2-CB 3.87Å; W36-L43 HydrophobicContact CH2-CD1 4.49Å; W36-L43 HydrophobicContact CZ2-CB 4.15Å; W36-L43 HydrophobicContact CZ2-CD1 3.9Å; W36-L43 HydrophobicContact CZ2-CG 4.49Å; W36-L43 HydrophobicContact CZ3-CB 3.77Å; W36-L43 VanDerWaalsContact CZ3-N 3.32Å
44	I	93.6	Very high	91.9	Very high	47 Å²	47	49 Å²	49	24%	0.241	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-53.3	178.3	-60.7	165.6	0	0	0	109.4	W23 L35 D37	W23-I44 HydrophobicContact CD2-CD1 3.8Å; W23-I44 VanDerWaalsContact CE2-CD1 3.48Å; W23-I44 HydrophobicContact CG-CD1 3.83Å; W23-I44 HydrophobicContact CZ2-CD1 4Å; W23-I44 VanDerWaalsContact NE1-CD1 3.34Å; L35-I44 HydrophobicContact CD2-CB 4.21Å; L35-I44 HydrophobicContact CD2-CD1 4.4Å; L35-I44 HydrophobicContact CD2-CG2 4.07Å; L35-I44 HydrophobicContact CG-CB 4.08Å; L35-I44 HydrophobicContact CG-CD1 4.05Å; L35-I44 HydrophobicContact CG-CG2 4.49Å; L35-I44 WeakPolarHBondContact O-CB 3.39Å; L35-I44 PolarHBondContact O-N 2.9Å; D37-I44 HydrophobicContact CB-CD1 4.02Å; D37-I44 HydrophobicContact CB-CG1 4.29Å
45	D	94.6	Very high	91.8	Very high	28 Å²	28	49.9 Å²	49.9	15%	0.15	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	157	-174.4	-82.7	-54.4	0	0	0	111.4	L35 F47 R83	L35-D45 HydrophobicContact CB-CB 4.44Å; L35-D45 PolarHBondContact N-O 3.46Å; L35-D45 PolarHBondContact O-N 3.17Å; D45-F47 HydrophobicContact CB-CE2 4.09Å; D45-F47 HydrophobicContact CB-CZ 4.09Å; D45-R83 WeakPolarHBondContact OD1-CD 3.48Å; D45-R83 IonicContact OD1-CZ 3.37Å; D45-R83 IonicContact OD1-NE 3.83Å; D45-R83 PolarHBondContact OD1-NE 3.06Å; D45-R83 IonicContact OD1-NH1 2.83Å; D45-R83 IonicContact OD1-NH2 3.18Å; D45-R83 PolarHBondContact OD1-NH2 3.34Å; D45-R83 IonicContact OD2-CZ 2.68Å; D45-R83 IonicContact OD2-NE 2.66Å; D45-R83 PolarHBondContact OD2-NE 2.96Å; D45-R83 IonicContact OD2-NH2 2.71Å; D45-R83 PolarHBondContact OD2-NH2 2.97Å
46	K	94.8	Very high	91.7	Very high	113 Å²	113	49.9 Å²	49.9	49%	0.491	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.3	176.7	-176.2	-161.6	167.6	-159.9	0	108.6	V32 I33 D48	V32-K46 HydrophobicContact CG1-CD 4.03Å; V32-K46 HydrophobicContact CG1-CG 3.58Å; V32-K46 VanDerWaalsContact CG2-CE 3.45Å; I33-K46 WeakPolarHBondContact O-CA 3.42Å; K46-D48 WeakPolarHBondContact CE-OD2 3.41Å; K46-D48 IonicContact NZ-OD2 2.93Å; K46-D48 PolarHBondContact NZ-OD2 3.4Å
47	F	95.6	Very high	91.8	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.4	175.6	-48.3	-96.5	0	0	0	109.1	V32 I33 L35 D45 F66 W78	V32-F47 WeakPolarHBondContact CA-O 3.46Å; I33-F47 HydrophobicContact CB-CB 4.23Å; I33-F47 HydrophobicContact CB-CD2 4.41Å; I33-F47 HydrophobicContact CG2-CD2 4.24Å; I33-F47 PolarHBondContact N-O 2.94Å; I33-F47 PolarHBondContact O-N 3.29Å; L35-F47 HydrophobicContact CB-CE2 4.22Å; D45-F47 HydrophobicContact CB-CE2 4.09Å; D45-F47 HydrophobicContact CB-CZ 4.09Å; F47-F66 HydrophobicContact CD1-CE1 4.39Å; F47-F66 HydrophobicContact CD1-CZ 4.02Å; F47-F66 HydrophobicContact CD2-CE1 4.18Å; F47-F66 AromaticContact CD2-CZ 3.65Å; F47-F66 HydrophobicContact CD2-CZ 3.65Å; F47-F66 AromaticContact CE1-CE1 3.96Å; F47-F66 HydrophobicContact CE1-CE1 3.96Å; F47-F66 HydrophobicContact CE1-CZ 4.06Å; F47-F66 AromaticContact CE2-CE1 3.76Å; F47-F66 HydrophobicContact CE2-CE1 3.76Å; F47-F66 AromaticContact CE2-CZ 3.73Å; F47-F66 HydrophobicContact CE2-CZ 3.73Å; F47-F66 HydrophobicContact CG-CE1 4.5Å; F47-F66 AromaticContact CG-CZ 3.83Å; F47-F66 HydrophobicContact CG-CZ 3.83Å; F47-F66 AromaticContact CZ-CE1 3.65Å; F47-F66 HydrophobicContact CZ-CE1 3.65Å; F47-F66 AromaticContact CZ-CZ 3.94Å; F47-F66 HydrophobicContact CZ-CZ 3.94Å; F47-W78 HydrophobicContact CB-CE3 4.16Å; F47-W78 HydrophobicContact CB-CH2 3.89Å; F47-W78 HydrophobicContact CB-CZ2 4.4Å; F47-W78 HydrophobicContact CB-CZ3 3.78Å; F47-W78 HydrophobicContact CD1-CD2 4.41Å; F47-W78 AromaticContact CD1-CE3 3.65Å; F47-W78 HydrophobicContact CD1-CE3 3.65Å; F47-W78 AromaticContact CD1-CZ3 3.9Å; F47-W78 HydrophobicContact CD1-CZ3 3.9Å; F47-W78 HydrophobicContact CE1-CE3 4.46Å; F47-W78 HydrophobicContact CG-CE3 4.21Å; F47-W78 HydrophobicContact CG-CZ3 4.27Å
48	D	93.4	Very high	92.1	Very high	90 Å²	90	49.2 Å²	49.2	48%	0.481	26%	0.256	S	S	.	.			trans	-151.2	66.9	-164.6	-152.7	2.3	0	0	0	110.4	V32 K46	V32-D48 WeakPolarHBondContact CG2-OD1 3.27Å; K46-D48 WeakPolarHBondContact CE-OD2 3.41Å; K46-D48 IonicContact NZ-OD2 2.93Å; K46-D48 PolarHBondContact NZ-OD2 3.4Å
49	E	92.3	Very high	92.4	Very high	89 Å²	89	48.5 Å²	48.5	42%	0.416	25%	0.254	S	S	.	.			trans	-129.2	0.4	176.8	-56	176.2	-162.3	0	0	113.9	K76 W78 C85	E49-K76 HydrophobicContact CB-CD 4.28Å; E49-K76 WeakPolarHBondContact O-CE 3.4Å; E49-K76 PolarHBondContact O-NZ 3.06Å; E49-K76 IonicContact OE2-NZ 2.89Å; E49-K76 PolarHBondContact OE2-NZ 3.03Å; E49-W78 HydrophobicContact CB-CH2 3.69Å; E49-W78 HydrophobicContact CB-CZ2 4.43Å; E49-W78 HydrophobicContact CG-CH2 3.58Å; E49-W78 HydrophobicContact CG-CZ3 3.95Å; E49-W78 WeakPolarHBondContact OE1-CZ3 3.45Å; E49-C85 WeakPolarHBondContact OE1-CB 3.34Å; E49-C85 PolarHBondContact OE1-N 2.96Å; E49-C85 WeakPolarHBondContact OE2-CB 3.45Å
50	H	93.8	Very high	93.1	Very high	11 Å²	11	47 Å²	47	5%	0.051	25%	0.249	C	C	.	.			trans	-90.2	138.1	175.9	-86.3	-73.5	0	0	0	109.7	G52 V54 S68 D72 K74	H50-G52 PolarHBondContact O-N 3.22Å; H50-V54 HydrophobicContact CB-CG2 3.44Å; H50-V54 VanDerWaalsContact CB-CG2 3.44Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.39Å; H50-V54 VanDerWaalsContact CG-CG2 3.46Å; H50-S68 PolarHBondContact CD2-OG 3.24Å; H50-S68 PolarHBondContact NE2-OG 2.83Å; H50-D72 WeakPolarHBondContact CA-OD2 3.42Å; H50-D72 IonicContact CE1-OD1 2.69Å; H50-D72 IonicContact CE1-OD2 3.71Å; H50-D72 IonicContact CG-OD2 3.53Å; H50-D72 VanDerWaalsContact ND1-CG 3.27Å; H50-D72 IonicContact ND1-OD1 3.59Å; H50-D72 PolarHBondContact ND1-OD1 3.26Å; H50-D72 IonicContact ND1-OD2 3.54Å; H50-D72 PolarHBondContact ND1-OD2 3.14Å; H50-K74 PolarHBondContact CE1-O 3.04Å
51	D	91.2	Very high	93.6	Very high	133 Å²	133	47.2 Å²	47.2	71%	0.711	25%	0.247	S	C	*	.	S	Bend	trans	-95	96	178.4	-165.3	3.9	0	0	0	110.2	D72	D51-D72 HydrophobicContact CB-CB 4.15Å; D51-D72 PolarHBondContact N-OD2 3.11Å; D51-D72 WeakPolarHBondContact O-CB 3.39Å
52	G	91.9	Very high	93.8	Very high	23 Å²	23	51.8 Å²	51.8	24%	0.237	26%	0.261	C	S	.	.	S	Bend	trans	94.6	-175.4	-174.1	0	0	0	0	0	114.5	G31 H50	G31-G52 WeakPolarHBondContact CA-O 3.28Å; G31-G52 PolarHBondContact N-O 3Å; H50-G52 PolarHBondContact O-N 3.22Å
53	P	96.2	Very high	93.9	Very high	22 Å²	22	52.7 Å²	52.7	14%	0.143	26%	0.262	C	S	.	.			trans	-56.6	138.2	-166	-24.3	29.9	0	0	0	115.3	H29 G70 D71	H29-P53 WeakPolarHBondContact ND1-CB 3.23Å; H29-P53 VanDerWaalsContact ND1-CG 3.27Å; H29-P53 WeakPolarHBondContact ND1-CG 3.39Å; H29-P53 WeakPolarHBondContact O-CA 3.49Å; H29-P53 VanDerWaalsContact O-CG 3.3Å; H29-P53 WeakPolarHBondContact O-CG 3.33Å; P53-G70 CarbonylContact O-C 3.57Å; P53-G70 WeakPolarHBondContact O-CA 3.24Å; P53-D71 HydrophobicContact CB-CB 4.42Å; P53-D71 VanDerWaalsContact CB-OD2 3.3Å; P53-D71 WeakPolarHBondContact CB-OD2 3.48Å; P53-D71 WeakPolarHBondContact CD-OD2 3.26Å; P53-D71 HydrophobicContact CG-CB 4.43Å; P53-D71 WeakPolarHBondContact CG-OD2 3.19Å; P53-D71 PolarHBondContact O-N 3.26Å
54	V	97.1	Very high	93.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.7	172.4	179.1	0	0	0	0	110.2	S27 L28 I33 H50	S27-V54 VanDerWaalsContact CB-O 3.29Å; S27-V54 WeakPolarHBondContact CB-O 3.45Å; S27-V54 PolarHBondContact OG-O 3.48Å; L28-V54 PolarHBondContact O-N 3.43Å; L28-V54 VanDerWaalsContact O-N 3.16Å; I33-V54 HydrophobicContact CD1-CG1 4.12Å; I33-V54 HydrophobicContact CG1-CB 4.5Å; I33-V54 HydrophobicContact CG1-CG1 4.17Å; H50-V54 HydrophobicContact CB-CG2 3.44Å; H50-V54 VanDerWaalsContact CB-CG2 3.44Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.39Å; H50-V54 VanDerWaalsContact CG-CG2 3.46Å
55	R	95.5	Very high	94	Very high	45 Å²	45	48.6 Å²	48.6	17%	0.17	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-48.4	-172.1	-53.2	-179.9	-173.7	-117.7	-1.8	112.3	K13 G14 G69 D71 R97	K13-R55 HydrophobicContact CB-CG 4.44Å; G14-R55 WeakPolarHBondContact CA-O 3.33Å; R55-G69 PolarHBondContact N-O 3.44Å; R55-D71 WeakPolarHBondContact CD-OD1 3.34Å; R55-D71 IonicContact CZ-OD1 2.65Å; R55-D71 IonicContact CZ-OD2 3.43Å; R55-D71 IonicContact NE-OD1 3.14Å; R55-D71 PolarHBondContact NE-OD1 3.33Å; R55-D71 IonicContact NE-OD2 2.73Å; R55-D71 PolarHBondContact NE-OD2 3.4Å; R55-D71 IonicContact NH2-OD1 3.29Å; R55-D71 IonicContact NH2-OD2 2.75Å; R55-D71 PolarHBondContact NH2-OD2 3.44Å; R55-R97 CarbonylContact C-O 3.57Å; R55-R97 WeakPolarHBondContact CB-O 3.46Å
56	G	94.3	Very high	94.1	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.4	172.9	0	0	0	0	0	110.9	S68 G69 T99	G56-S68 CarbonylContact O-C 3.53Å; G56-S68 VanDerWaalsContact O-CA 3.25Å; G56-S68 WeakPolarHBondContact O-CA 3.39Å; G56-G69 PolarHBondContact N-O 3.15Å; G56-G69 PolarHBondContact O-N 2.76Å; G56-T99 WeakPolarHBondContact CA-OG1 3.46Å
57	I	97	Very high	94.2	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	133.1	168.9	-168.5	160.1	0	0	0	111.4	G14 L25 I33 F66 V67 T99	G14-I57 VanDerWaalsContact C-CG2 3.43Å; L25-I57 HydrophobicContact CB-CD1 3.77Å; L25-I57 HydrophobicContact CB-CG1 4.25Å; L25-I57 HydrophobicContact CD1-CD1 4.13Å; L25-I57 HydrophobicContact CD1-CG1 4.22Å; L25-I57 HydrophobicContact CD2-CD1 4.31Å; L25-I57 HydrophobicContact CG-CD1 4.29Å; I33-I57 HydrophobicContact CB-CD1 4.42Å; I33-I57 HydrophobicContact CD1-CD1 4.23Å; I33-I57 HydrophobicContact CG1-CD1 4.24Å; I33-I57 HydrophobicContact CG2-CD1 3.37Å; I57-F66 HydrophobicContact CD1-CD2 4.4Å; I57-F66 HydrophobicContact CG1-CD2 4.41Å; I57-V67 VanDerWaalsContact CA-O 3.31Å; I57-V67 WeakPolarHBondContact CA-O 3.43Å; I57-T99 PolarHBondContact N-OG1 3.33Å
58	D	96.8	Very high	94.3	Very high	25 Å²	25	41.5 Å²	41.5	13%	0.134	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.2	175.1	-166.9	31	0	0	0	114.7	S16 F66 V67 F100 F101	S16-D58 PolarHBondContact OG-OD1 2.92Å; D58-F66 CarbonylContact O-C 3.57Å; D58-F66 WeakPolarHBondContact O-CA 3.43Å; D58-F66 VanDerWaalsContact O-CB 3.29Å; D58-F66 WeakPolarHBondContact O-CB 3.23Å; D58-V67 HydrophobicContact CB-CG1 4.06Å; D58-V67 PolarHBondContact N-O 3.31Å; D58-V67 PolarHBondContact O-N 3.03Å; D58-F100 HydrophobicContact CB-CD1 4.1Å; D58-F101 HydrophobicContact CB-CD2 4.5Å; D58-F101 PolarHBondContact OD2-N 2.89Å
59	F	96.2	Very high	94.5	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.4	175.2	-91.2	-69	0	0	0	111.5	S16 F17 H18 L25 L35 K61 F66 Y80	S16-F59 PolarHBondContact OG-N 3.07Å; F17-F59 VanDerWaalsContact C-CD2 3.45Å; H18-F59 HydrophobicContact CB-CD1 4.48Å; H18-F59 HydrophobicContact CB-CD2 4.03Å; H18-F59 HydrophobicContact CB-CE1 4.24Å; H18-F59 HydrophobicContact CB-CE2 3.74Å; H18-F59 HydrophobicContact CB-CG 4.36Å; H18-F59 HydrophobicContact CB-CZ 3.84Å; H18-F59 AromaticContact CD2-CE1 3.89Å; H18-F59 VanDerWaalsContact N-CD2 3.34Å; L25-F59 HydrophobicContact CB-CE2 3.95Å; L25-F59 HydrophobicContact CB-CZ 4.43Å; L25-F59 HydrophobicContact CD1-CD1 3.95Å; L25-F59 HydrophobicContact CD1-CD2 3.77Å; L25-F59 HydrophobicContact CD1-CE1 3.66Å; L25-F59 HydrophobicContact CD1-CE2 3.48Å; L25-F59 VanDerWaalsContact CD1-CE2 3.48Å; L25-F59 HydrophobicContact CD1-CG 4.01Å; L25-F59 HydrophobicContact CD1-CZ 3.44Å; L25-F59 VanDerWaalsContact CD1-CZ 3.44Å; L25-F59 HydrophobicContact CD2-CZ 4.49Å; L25-F59 HydrophobicContact CG-CD2 4.21Å; L25-F59 HydrophobicContact CG-CE1 4.18Å; L25-F59 HydrophobicContact CG-CE2 3.48Å; L25-F59 VanDerWaalsContact CG-CE2 3.48Å; L25-F59 HydrophobicContact CG-CZ 3.47Å; L25-F59 VanDerWaalsContact CG-CZ 3.47Å; L35-F59 HydrophobicContact CD1-CZ 3.72Å; F59-K61 PolarHBondContact O-N 3.11Å; F59-F66 HydrophobicContact CD1-CB 4.18Å; F59-Y80 HydrophobicContact CD1-CD1 4.34Å; F59-Y80 HydrophobicContact CD1-CE1 4.11Å; F59-Y80 AromaticContact CE1-CD1 3.89Å; F59-Y80 HydrophobicContact CE1-CD1 3.89Å; F59-Y80 AromaticContact CE1-CE1 3.88Å; F59-Y80 HydrophobicContact CE1-CE1 3.88Å
60	H	94.7	Very high	94.6	Very high	24 Å²	24	33 Å²	33	11%	0.111	17%	0.167	C	C	.	.			trans	-67.8	135.3	167.9	-172.9	-76.8	0	0	0	110.4	Q62 Q63 L65 F101	H60-Q62 VanDerWaalsContact C-N 3.33Å; H60-Q62 PolarHBondContact ND1-N 2.76Å; H60-Q62 VanDerWaalsContact ND1-N 3.19Å; H60-Q62 PolarHBondContact O-N 3.44Å; H60-Q63 PolarHBondContact ND1-N 3.29Å; H60-L65 HydrophobicContact CB-CB 3.9Å; H60-L65 WeakPolarHBondContact CB-O 3.36Å; H60-L65 PolarHBondContact N-O 3.3Å; H60-F101 HydrophobicContact CB-CD2 3.9Å; H60-F101 HydrophobicContact CB-CE1 4.43Å; H60-F101 HydrophobicContact CB-CE2 3.79Å; H60-F101 HydrophobicContact CB-CG 4.25Å; H60-F101 HydrophobicContact CB-CZ 4.07Å; H60-F101 AromaticContact CD2-CD1 3.68Å; H60-F101 AromaticContact CD2-CE1 3.82Å
61	K	88.5	Confident	94.7	Very high	110 Å²	110	33.2 Å²	33.2	48%	0.478	17%	0.169	S	C	.	.	S	Bend	trans	-64.6	-31.5	-170.4	-66.3	-171.6	-178.5	-173.3	0	114.9	F59 H103	F59-K61 PolarHBondContact O-N 3.11Å; K61-H103 HydrophobicContact CD-CB 4.15Å
62	Q	88.4	Confident	94.9	Very high	166 Å²	166	27.8 Å²	27.8	78%	0.776	14%	0.14	S	C	*	.	S	Bend	trans	-118.9	-60	-173.1	-54.8	-176.2	10.1	0	0	114	H60	H60-Q62 VanDerWaalsContact C-N 3.33Å; H60-Q62 PolarHBondContact ND1-N 2.76Å; H60-Q62 VanDerWaalsContact ND1-N 3.19Å; H60-Q62 PolarHBondContact O-N 3.44Å
63	Q	91.8	Very high	95	Very high	81 Å²	81	31.3 Å²	31.3	38%	0.379	15%	0.147	S	C	.	.	S	Bend	trans	-67.2	157	178.8	-58.6	-164.7	10.3	0	0	113	H60 L65 W122	H60-Q63 PolarHBondContact ND1-N 3.29Å; Q63-L65 HydrophobicContact CB-CD1 4.26Å; Q63-L65 HydrophobicContact CB-CG 4.12Å; Q63-L65 PolarHBondContact O-N 2.96Å; Q63-W122 VanDerWaalsContact OE1-CH2 3.22Å
64	P	93.9	Very high	95	Very high	34 Å²	34	33.8 Å²	33.8	22%	0.221	16%	0.155	C	C	.	.	S	Bend	trans	-78.7	47.7	-178.5	34.7	-37	0	0	0	113.3	N79 Y80 K81	P64-N79 WeakPolarHBondContact O-CA 3.49Å; P64-Y80 VanDerWaalsContact CA-CZ 3.44Å; P64-Y80 HydrophobicContact CB-CD2 4.5Å; P64-Y80 HydrophobicContact CB-CE1 4.08Å; P64-Y80 HydrophobicContact CB-CE2 3.93Å; P64-Y80 WeakPolarHBondContact O-CD1 3.47Å; P64-Y80 PolarHBondContact O-N 3.27Å; P64-K81 HydrophobicContact CB-CD 3.85Å; P64-K81 HydrophobicContact CB-CG 3.92Å; P64-K81 HydrophobicContact CG-CD 4.19Å
65	L	95.3	Very high	95	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152.6	-175.1	-55.8	178.6	0	0	0	111.7	H60 Q63 W78 N79 L86 F101 W122	H60-L65 HydrophobicContact CB-CB 3.9Å; H60-L65 WeakPolarHBondContact CB-O 3.36Å; H60-L65 PolarHBondContact N-O 3.3Å; Q63-L65 HydrophobicContact CB-CD1 4.26Å; Q63-L65 HydrophobicContact CB-CG 4.12Å; Q63-L65 PolarHBondContact O-N 2.96Å; L65-W78 VanDerWaalsContact CA-O 3.23Å; L65-W78 WeakPolarHBondContact CA-O 3.28Å; L65-W78 WeakPolarHBondContact CD2-O 3.45Å; L65-N79 HydrophobicContact CD2-CB 4.09Å; L65-L86 HydrophobicContact CD2-CD1 3.59Å; L65-F101 HydrophobicContact CB-CZ 4.49Å; L65-W122 HydrophobicContact CD1-CE3 4.38Å; L65-W122 HydrophobicContact CD1-CH2 4.2Å; L65-W122 HydrophobicContact CD1-CZ3 4.08Å
66	F	97	Very high	95	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156	160.1	71.9	-91.5	0	0	0	109.9	L25 I33 F47 I57 D58 F59 W78 Y80	L25-F66 HydrophobicContact CD1-CB 3.54Å; L25-F66 HydrophobicContact CD1-CD1 4.02Å; L25-F66 HydrophobicContact CD1-CD2 3.81Å; L25-F66 HydrophobicContact CD1-CG 3.53Å; I33-F66 HydrophobicContact CD1-CE2 4.02Å; I33-F66 HydrophobicContact CG2-CE2 4.08Å; I33-F66 HydrophobicContact CG2-CZ 4.41Å; F47-F66 HydrophobicContact CD1-CE1 4.39Å; F47-F66 HydrophobicContact CD1-CZ 4.02Å; F47-F66 HydrophobicContact CD2-CE1 4.18Å; F47-F66 AromaticContact CD2-CZ 3.65Å; F47-F66 HydrophobicContact CD2-CZ 3.65Å; F47-F66 AromaticContact CE1-CE1 3.96Å; F47-F66 HydrophobicContact CE1-CE1 3.96Å; F47-F66 HydrophobicContact CE1-CZ 4.06Å; F47-F66 AromaticContact CE2-CE1 3.76Å; F47-F66 HydrophobicContact CE2-CE1 3.76Å; F47-F66 AromaticContact CE2-CZ 3.73Å; F47-F66 HydrophobicContact CE2-CZ 3.73Å; F47-F66 HydrophobicContact CG-CE1 4.5Å; F47-F66 AromaticContact CG-CZ 3.83Å; F47-F66 HydrophobicContact CG-CZ 3.83Å; F47-F66 AromaticContact CZ-CE1 3.65Å; F47-F66 HydrophobicContact CZ-CE1 3.65Å; F47-F66 AromaticContact CZ-CZ 3.94Å; F47-F66 HydrophobicContact CZ-CZ 3.94Å; I57-F66 HydrophobicContact CD1-CD2 4.4Å; I57-F66 HydrophobicContact CG1-CD2 4.41Å; D58-F66 CarbonylContact O-C 3.57Å; D58-F66 WeakPolarHBondContact O-CA 3.43Å; D58-F66 VanDerWaalsContact O-CB 3.29Å; D58-F66 WeakPolarHBondContact O-CB 3.23Å; F59-F66 HydrophobicContact CD1-CB 4.18Å; F66-W78 HydrophobicContact CD1-CB 3.74Å; F66-W78 HydrophobicContact CD1-CG 4.48Å; F66-W78 HydrophobicContact CD2-CB 4.09Å; F66-W78 AromaticContact CD2-CD1 3.65Å; F66-W78 HydrophobicContact CD2-CG 4.05Å; F66-W78 HydrophobicContact CE1-CB 3.37Å; F66-W78 AromaticContact CE1-CG 3.94Å; F66-W78 HydrophobicContact CE1-CG 3.94Å; F66-W78 HydrophobicContact CE2-CB 3.74Å; F66-W78 AromaticContact CE2-CD1 3.22Å; F66-W78 HydrophobicContact CE2-CD2 4.07Å; F66-W78 AromaticContact CE2-CG 3.42Å; F66-W78 HydrophobicContact CE2-CG 3.42Å; F66-W78 VanDerWaalsContact CE2-CG 3.42Å; F66-W78 AromaticContact CE2-NE1 3.73Å; F66-W78 HydrophobicContact CG-CB 4.08Å; F66-W78 HydrophobicContact CZ-CB 3.37Å; F66-W78 AromaticContact CZ-CD1 3.7Å; F66-W78 AromaticContact CZ-CD2 3.85Å; F66-W78 HydrophobicContact CZ-CD2 3.85Å; F66-W78 HydrophobicContact CZ-CE3 4.46Å; F66-W78 AromaticContact CZ-CG 3.36Å; F66-W78 HydrophobicContact CZ-CG 3.36Å; F66-W78 PolarHBondContact N-O 3.26Å; F66-W78 VanDerWaalsContact N-O 3.1Å; F66-W78 PolarHBondContact O-N 3.31Å; F66-Y80 HydrophobicContact CD1-CD1 4.32Å
67	V	97.4	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.4	176.6	63.1	0	0	0	0	109.1	I57 D58 I75 K76 V77 F101 I108	I57-V67 VanDerWaalsContact CA-O 3.31Å; I57-V67 WeakPolarHBondContact CA-O 3.43Å; D58-V67 HydrophobicContact CB-CG1 4.06Å; D58-V67 PolarHBondContact N-O 3.31Å; D58-V67 PolarHBondContact O-N 3.03Å; V67-I75 HydrophobicContact CG2-CG2 3.43Å; V67-I75 VanDerWaalsContact CG2-CG2 3.43Å; V67-K76 WeakPolarHBondContact CA-O 3.03Å; V67-V77 HydrophobicContact CG2-CG2 4.39Å; V67-F101 HydrophobicContact CB-CD2 4.42Å; V67-F101 HydrophobicContact CB-CE2 3.68Å; V67-F101 HydrophobicContact CB-CZ 3.83Å; V67-F101 HydrophobicContact CG1-CD2 3.8Å; V67-F101 HydrophobicContact CG1-CE2 3.54Å; V67-F101 HydrophobicContact CG1-CZ 4.11Å; V67-I108 HydrophobicContact CB-CD1 4.33Å; V67-I108 HydrophobicContact CG2-CD1 3.97Å; V67-I108 HydrophobicContact CG2-CG2 4.07Å
68	S	97.5	Very high	95.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.8	167.9	57.5	0	0	0	0	112.1	I33 H50 G56 I75 K76 W78	I33-S68 VanDerWaalsContact CD1-CB 3.46Å; I33-S68 WeakPolarHBondContact CD1-OG 3.25Å; H50-S68 PolarHBondContact CD2-OG 3.24Å; H50-S68 PolarHBondContact NE2-OG 2.83Å; G56-S68 CarbonylContact O-C 3.53Å; G56-S68 VanDerWaalsContact O-CA 3.25Å; G56-S68 WeakPolarHBondContact O-CA 3.39Å; S68-I75 CarbonylContact O-C 3.59Å; S68-I75 VanDerWaalsContact O-CA 3.3Å; S68-I75 WeakPolarHBondContact O-CA 3.27Å; S68-K76 PolarHBondContact N-O 3.16Å; S68-K76 PolarHBondContact O-N 3.35Å; S68-W78 PolarHBondContact OG-NE1 2.93Å
69	G	96.8	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.4	173.3	0	0	0	0	0	110.7	R55 G56	R55-G69 PolarHBondContact N-O 3.44Å; G56-G69 PolarHBondContact N-O 3.15Å; G56-G69 PolarHBondContact O-N 2.76Å
70	G	95.6	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	172.1	-175.3	0	0	0	0	0	114.9	P53 D72 Y73 K74 I96	P53-G70 CarbonylContact O-C 3.57Å; P53-G70 WeakPolarHBondContact O-CA 3.24Å; G70-D72 WeakPolarHBondContact CA-OD1 3.41Å; G70-D72 PolarHBondContact O-N 3.22Å; G70-Y73 PolarHBondContact O-N 3.43Å; G70-K74 PolarHBondContact N-O 3.44Å; G70-I96 PolarHBondContact O-N 3.41Å
71	D	95.9	Very high	94.8	Very high	16 Å²	16	38 Å²	38	9%	0.086	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.2	169.1	-71.8	7.7	0	0	0	112	P53 R55 Y73 Y95	P53-D71 HydrophobicContact CB-CB 4.42Å; P53-D71 VanDerWaalsContact CB-OD2 3.3Å; P53-D71 WeakPolarHBondContact CB-OD2 3.48Å; P53-D71 WeakPolarHBondContact CD-OD2 3.26Å; P53-D71 HydrophobicContact CG-CB 4.43Å; P53-D71 WeakPolarHBondContact CG-OD2 3.19Å; P53-D71 PolarHBondContact O-N 3.26Å; R55-D71 WeakPolarHBondContact CD-OD1 3.34Å; R55-D71 IonicContact CZ-OD1 2.65Å; R55-D71 IonicContact CZ-OD2 3.43Å; R55-D71 IonicContact NE-OD1 3.14Å; R55-D71 PolarHBondContact NE-OD1 3.33Å; R55-D71 IonicContact NE-OD2 2.73Å; R55-D71 PolarHBondContact NE-OD2 3.4Å; R55-D71 IonicContact NH2-OD1 3.29Å; R55-D71 IonicContact NH2-OD2 2.75Å; R55-D71 PolarHBondContact NH2-OD2 3.44Å; D71-Y73 WeakPolarHBondContact O-CD1 3.16Å; D71-Y73 WeakPolarHBondContact O-CE1 3.36Å; D71-Y73 PolarHBondContact O-N 3.09Å; D71-Y95 VanDerWaalsContact CA-CD1 3.47Å; D71-Y95 HydrophobicContact CB-CD1 3.45Å; D71-Y95 VanDerWaalsContact CB-CD1 3.45Å; D71-Y95 HydrophobicContact CB-CE1 3.73Å; D71-Y95 HydrophobicContact CB-CG 4.17Å; D71-Y95 VanDerWaalsContact O-CD1 3.24Å; D71-Y95 WeakPolarHBondContact O-CD1 3.46Å; D71-Y95 WeakPolarHBondContact O-CE1 3.24Å
72	D	94.6	Very high	95	Very high	18 Å²	18	37.5 Å²	37.5	10%	0.096	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	12.9	169.2	60.7	-6.7	0	0	0	114	H50 D51 G70 K74	H50-D72 WeakPolarHBondContact CA-OD2 3.42Å; H50-D72 IonicContact CE1-OD1 2.69Å; H50-D72 IonicContact CE1-OD2 3.71Å; H50-D72 IonicContact CG-OD2 3.53Å; H50-D72 VanDerWaalsContact ND1-CG 3.27Å; H50-D72 IonicContact ND1-OD1 3.59Å; H50-D72 PolarHBondContact ND1-OD1 3.26Å; H50-D72 IonicContact ND1-OD2 3.54Å; H50-D72 PolarHBondContact ND1-OD2 3.14Å; D51-D72 HydrophobicContact CB-CB 4.15Å; D51-D72 PolarHBondContact N-OD2 3.11Å; D51-D72 WeakPolarHBondContact O-CB 3.39Å; G70-D72 WeakPolarHBondContact CA-OD1 3.41Å; G70-D72 PolarHBondContact O-N 3.22Å; D72-K74 HydrophobicContact CB-CD 4.28Å; D72-K74 WeakPolarHBondContact O-CG 3.36Å; D72-K74 PolarHBondContact O-N 3.22Å; D72-K74 PolarHBondContact OD1-N 3.44Å
73	Y	94.9	Very high	95.1	Very high	97 Å²	97	37.2 Å²	37.2	38%	0.38	17%	0.167	S	C	.	.	S	Bend	trans	59.1	14.1	-177.9	-38.9	-37.9	0	0	0	114.4	G70 D71 D94 Y95 I96	G70-Y73 PolarHBondContact O-N 3.43Å; D71-Y73 WeakPolarHBondContact O-CD1 3.16Å; D71-Y73 WeakPolarHBondContact O-CE1 3.36Å; D71-Y73 PolarHBondContact O-N 3.09Å; Y73-D94 VanDerWaalsContact CD1-CA 3.49Å; Y73-D94 WeakPolarHBondContact CD1-O 3.32Å; Y73-D94 VanDerWaalsContact CE1-C 3.47Å; Y73-D94 VanDerWaalsContact CE1-CA 3.44Å; Y73-Y95 HydrophobicContact CD1-CD1 4.15Å; Y73-Y95 AromaticContact CE1-CD1 3.52Å; Y73-Y95 HydrophobicContact CE1-CD1 3.52Å; Y73-Y95 AromaticContact CE1-CE1 3.83Å; Y73-Y95 HydrophobicContact CE1-CE1 3.83Å; Y73-Y95 HydrophobicContact CE1-CG 4.43Å; Y73-I96 VanDerWaalsContact C-CD1 3.44Å
74	K	95.4	Very high	95.1	Very high	75 Å²	75	40.5 Å²	40.5	33%	0.326	18%	0.176	S	C	.	.			trans	-103.5	139.5	-176.2	-70.8	162.4	-156.5	156.2	0	111.1	H50 G70 D72 T88 L90 I96	H50-K74 PolarHBondContact CE1-O 3.04Å; G70-K74 PolarHBondContact N-O 3.44Å; D72-K74 HydrophobicContact CB-CD 4.28Å; D72-K74 WeakPolarHBondContact O-CG 3.36Å; D72-K74 PolarHBondContact O-N 3.22Å; D72-K74 PolarHBondContact OD1-N 3.44Å; K74-T88 HydrophobicContact CB-CG2 3.66Å; K74-T88 HydrophobicContact CD-CG2 4.28Å; K74-T88 HydrophobicContact CG-CG2 3.77Å; K74-L90 HydrophobicContact CG-CD2 3.68Å; K74-I96 WeakPolarHBondContact O-CD1 3.34Å
75	I	96.9	Very high	95.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.3	164.7	-56.8	168.7	0	0	0	107.4	V67 S68 T88 L89 I96 T99 I108 S110 W120	V67-I75 HydrophobicContact CG2-CG2 3.43Å; V67-I75 VanDerWaalsContact CG2-CG2 3.43Å; S68-I75 CarbonylContact O-C 3.59Å; S68-I75 VanDerWaalsContact O-CA 3.3Å; S68-I75 WeakPolarHBondContact O-CA 3.27Å; I75-T88 CarbonylContact O-C 3.54Å; I75-T88 WeakPolarHBondContact O-CA 3.48Å; I75-L89 HydrophobicContact CB-CB 4.22Å; I75-L89 HydrophobicContact CG2-CD1 4.44Å; I75-L89 PolarHBondContact N-O 3.01Å; I75-L89 VanDerWaalsContact N-O 3.16Å; I75-L89 PolarHBondContact O-N 2.93Å; I75-I96 HydrophobicContact CG1-CD1 3.63Å; I75-T99 HydrophobicContact CG1-CG2 4.49Å; I75-I108 HydrophobicContact CG2-CG2 4.5Å; I75-S110 WeakPolarHBondContact CD1-OG 3.39Å; I75-W120 HydrophobicContact CD1-CD2 4.41Å; I75-W120 HydrophobicContact CD1-CZ2 3.95Å; I75-W120 VanDerWaalsContact CD1-NE1 3.3Å
76	K	96.4	Very high	95.1	Very high	17 Å²	17	42.8 Å²	42.8	7%	0.074	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.4	178.1	-72	179.6	-177.6	-93.9	0	110.5	E49 V67 S68 W78 T88	E49-K76 HydrophobicContact CB-CD 4.28Å; E49-K76 WeakPolarHBondContact O-CE 3.4Å; E49-K76 PolarHBondContact O-NZ 3.06Å; E49-K76 IonicContact OE2-NZ 2.89Å; E49-K76 PolarHBondContact OE2-NZ 3.03Å; V67-K76 WeakPolarHBondContact CA-O 3.03Å; S68-K76 PolarHBondContact N-O 3.16Å; S68-K76 PolarHBondContact O-N 3.35Å; K76-W78 HydrophobicContact CB-CZ2 4.06Å; K76-W78 HydrophobicContact CD-CH2 4.15Å; K76-W78 HydrophobicContact CD-CZ2 3.51Å; K76-W78 HydrophobicContact CG-CZ2 4.45Å; K76-T88 HydrophobicContact CG-CG2 4.21Å
77	V	96.9	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.1	172.7	-178.7	0	0	0	0	108.9	V67 L86 F87 I108	V67-V77 HydrophobicContact CG2-CG2 4.39Å; V77-L86 WeakPolarHBondContact O-CB 3.47Å; V77-L86 PolarHBondContact O-N 3.1Å; V77-F87 HydrophobicContact CB-CD2 4.3Å; V77-F87 HydrophobicContact CB-CE1 4.33Å; V77-F87 HydrophobicContact CB-CE2 3.82Å; V77-F87 HydrophobicContact CB-CZ 3.83Å; V77-F87 HydrophobicContact CG1-CE1 4.37Å; V77-F87 HydrophobicContact CG1-CE2 4.47Å; V77-F87 HydrophobicContact CG1-CZ 3.99Å; V77-F87 HydrophobicContact CG2-CD2 4.33Å; V77-F87 HydrophobicContact CG2-CE2 3.63Å; V77-F87 HydrophobicContact CG2-CZ 3.95Å; V77-F87 PolarHBondContact N-O 3.46Å; V77-I108 HydrophobicContact CG2-CD1 3.72Å
78	W	96.6	Very high	94.9	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.7	-169.4	-56.1	84.6	0	0	0	111.5	I33 F47 E49 L65 F66 S68 K76 C85	I33-W78 HydrophobicContact CD1-CZ2 4.36Å; F47-W78 HydrophobicContact CB-CE3 4.16Å; F47-W78 HydrophobicContact CB-CH2 3.89Å; F47-W78 HydrophobicContact CB-CZ2 4.4Å; F47-W78 HydrophobicContact CB-CZ3 3.78Å; F47-W78 HydrophobicContact CD1-CD2 4.41Å; F47-W78 AromaticContact CD1-CE3 3.65Å; F47-W78 HydrophobicContact CD1-CE3 3.65Å; F47-W78 AromaticContact CD1-CZ3 3.9Å; F47-W78 HydrophobicContact CD1-CZ3 3.9Å; F47-W78 HydrophobicContact CE1-CE3 4.46Å; F47-W78 HydrophobicContact CG-CE3 4.21Å; F47-W78 HydrophobicContact CG-CZ3 4.27Å; E49-W78 HydrophobicContact CB-CH2 3.69Å; E49-W78 HydrophobicContact CB-CZ2 4.43Å; E49-W78 HydrophobicContact CG-CH2 3.58Å; E49-W78 HydrophobicContact CG-CZ3 3.95Å; E49-W78 WeakPolarHBondContact OE1-CZ3 3.45Å; L65-W78 VanDerWaalsContact CA-O 3.23Å; L65-W78 WeakPolarHBondContact CA-O 3.28Å; L65-W78 WeakPolarHBondContact CD2-O 3.45Å; F66-W78 HydrophobicContact CD1-CB 3.74Å; F66-W78 HydrophobicContact CD1-CG 4.48Å; F66-W78 HydrophobicContact CD2-CB 4.09Å; F66-W78 AromaticContact CD2-CD1 3.65Å; F66-W78 HydrophobicContact CD2-CG 4.05Å; F66-W78 HydrophobicContact CE1-CB 3.37Å; F66-W78 AromaticContact CE1-CG 3.94Å; F66-W78 HydrophobicContact CE1-CG 3.94Å; F66-W78 HydrophobicContact CE2-CB 3.74Å; F66-W78 AromaticContact CE2-CD1 3.22Å; F66-W78 HydrophobicContact CE2-CD2 4.07Å; F66-W78 AromaticContact CE2-CG 3.42Å; F66-W78 HydrophobicContact CE2-CG 3.42Å; F66-W78 VanDerWaalsContact CE2-CG 3.42Å; F66-W78 AromaticContact CE2-NE1 3.73Å; F66-W78 HydrophobicContact CG-CB 4.08Å; F66-W78 HydrophobicContact CZ-CB 3.37Å; F66-W78 AromaticContact CZ-CD1 3.7Å; F66-W78 AromaticContact CZ-CD2 3.85Å; F66-W78 HydrophobicContact CZ-CD2 3.85Å; F66-W78 HydrophobicContact CZ-CE3 4.46Å; F66-W78 AromaticContact CZ-CG 3.36Å; F66-W78 HydrophobicContact CZ-CG 3.36Å; F66-W78 PolarHBondContact N-O 3.26Å; F66-W78 VanDerWaalsContact N-O 3.1Å; F66-W78 PolarHBondContact O-N 3.31Å; S68-W78 PolarHBondContact OG-NE1 2.93Å; K76-W78 HydrophobicContact CB-CZ2 4.06Å; K76-W78 HydrophobicContact CD-CH2 4.15Å; K76-W78 HydrophobicContact CD-CZ2 3.51Å; K76-W78 HydrophobicContact CG-CZ2 4.45Å; W78-C85 HydrophobicContact CD2-CB 4.21Å; W78-C85 HydrophobicContact CE3-CB 3.77Å; W78-C85 VanDerWaalsContact CE3-N 3.3Å; W78-C85 HydrophobicContact CH2-CB 4.35Å; W78-C85 HydrophobicContact CZ3-CB 3.81Å
79	N	95.5	Very high	94.7	Very high	20 Å²	20	47.1 Å²	47.1	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.9	167.4	-175.3	-39.5	0	0	0	109.8	P64 L65 K81 L82 R83 R84 L86	P64-N79 WeakPolarHBondContact O-CA 3.49Å; L65-N79 HydrophobicContact CD2-CB 4.09Å; N79-K81 PolarHBondContact O-N 3.49Å; N79-K81 WeakPolarHBondContact OD1-CB 3.37Å; N79-K81 PolarHBondContact OD1-N 3.23Å; N79-L82 HydrophobicContact CB-CB 4.13Å; N79-L82 HydrophobicContact CB-CD1 4.34Å; N79-L82 HydrophobicContact CB-CG 4.36Å; N79-L82 PolarHBondContact O-N 3.41Å; N79-L82 PolarHBondContact OD1-N 3.48Å; N79-L82 VanDerWaalsContact OD1-N 3.08Å; N79-R83 PolarHBondContact O-N 2.9Å; N79-R84 PolarHBondContact N-O 3.02Å; N79-L86 HydrophobicContact CB-CD1 4.05Å; N79-L86 HydrophobicContact CB-CD2 3.87Å; N79-L86 HydrophobicContact CB-CG 3.94Å
80	Y	93.1	Very high	94.5	Very high	16 Å²	16	52.9 Å²	52.9	6%	0.063	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.5	-176.2	63.9	-111.6	0	0	0	113.9	H18 W23 F59 P64 F66	H18-Y80 AromaticContact NE2-CZ 3.77Å; H18-Y80 PolarHBondContact NE2-OH 3.32Å; W23-Y80 HydrophobicContact CH2-CE2 4.5Å; W23-Y80 AromaticContact CZ3-CD2 3.89Å; W23-Y80 HydrophobicContact CZ3-CD2 3.89Å; W23-Y80 AromaticContact CZ3-CE2 3.71Å; W23-Y80 HydrophobicContact CZ3-CE2 3.71Å; F59-Y80 HydrophobicContact CD1-CD1 4.34Å; F59-Y80 HydrophobicContact CD1-CE1 4.11Å; F59-Y80 AromaticContact CE1-CD1 3.89Å; F59-Y80 HydrophobicContact CE1-CD1 3.89Å; F59-Y80 AromaticContact CE1-CE1 3.88Å; F59-Y80 HydrophobicContact CE1-CE1 3.88Å; P64-Y80 VanDerWaalsContact CA-CZ 3.44Å; P64-Y80 HydrophobicContact CB-CD2 4.5Å; P64-Y80 HydrophobicContact CB-CE1 4.08Å; P64-Y80 HydrophobicContact CB-CE2 3.93Å; P64-Y80 WeakPolarHBondContact O-CD1 3.47Å; P64-Y80 PolarHBondContact O-N 3.27Å; F66-Y80 HydrophobicContact CD1-CD1 4.32Å
81	K	92.4	Very high	94.2	Very high	139 Å²	139	54.4 Å²	54.4	60%	0.604	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-37.4	171.6	-70	-176.7	177.3	-177.3	0	111.9	P64 N79 R83	P64-K81 HydrophobicContact CB-CD 3.85Å; P64-K81 HydrophobicContact CB-CG 3.92Å; P64-K81 HydrophobicContact CG-CD 4.19Å; N79-K81 PolarHBondContact O-N 3.49Å; N79-K81 WeakPolarHBondContact OD1-CB 3.37Å; N79-K81 PolarHBondContact OD1-N 3.23Å; K81-R83 VanDerWaalsContact C-N 3.34Å
82	L	92.3	Very high	94.1	Very high	99 Å²	99	54.2 Å²	54.2	52%	0.518	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.3	178.5	-60.6	179.7	0	0	0	113.2	N79 R84 L86	N79-L82 HydrophobicContact CB-CB 4.13Å; N79-L82 HydrophobicContact CB-CD1 4.34Å; N79-L82 HydrophobicContact CB-CG 4.36Å; N79-L82 PolarHBondContact O-N 3.41Å; N79-L82 PolarHBondContact OD1-N 3.48Å; N79-L82 VanDerWaalsContact OD1-N 3.08Å; L82-R84 VanDerWaalsContact C-N 3.25Å; L82-R84 HydrophobicContact CB-CG 4.15Å; L82-R84 PolarHBondContact O-N 2.74Å; L82-L86 HydrophobicContact CD1-CD2 4.49Å
83	R	91.4	Very high	94.1	Very high	159 Å²	159	59.7 Å²	59.7	60%	0.6	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	33	177	-62.4	175.8	165.1	-178.1	-18	114.5	D45 N79 K81	D45-R83 WeakPolarHBondContact OD1-CD 3.48Å; D45-R83 IonicContact OD1-CZ 3.37Å; D45-R83 IonicContact OD1-NE 3.83Å; D45-R83 PolarHBondContact OD1-NE 3.06Å; D45-R83 IonicContact OD1-NH1 2.83Å; D45-R83 IonicContact OD1-NH2 3.18Å; D45-R83 PolarHBondContact OD1-NH2 3.34Å; D45-R83 IonicContact OD2-CZ 2.68Å; D45-R83 IonicContact OD2-NE 2.66Å; D45-R83 PolarHBondContact OD2-NE 2.96Å; D45-R83 IonicContact OD2-NH2 2.71Å; D45-R83 PolarHBondContact OD2-NH2 2.97Å; N79-R83 PolarHBondContact O-N 2.9Å; K81-R83 VanDerWaalsContact C-N 3.34Å
84	R	91.3	Very high	94.1	Very high	151 Å²	151	57.2 Å²	57.2	57%	0.57	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.4	-179.7	67.5	178.6	-174.2	-178.5	1.7	113.1	N79 L82	N79-R84 PolarHBondContact N-O 3.02Å; L82-R84 VanDerWaalsContact C-N 3.25Å; L82-R84 HydrophobicContact CB-CG 4.15Å; L82-R84 PolarHBondContact O-N 2.74Å
85	C	94.2	Very high	94.2	Very high	21 Å²	21	58 Å²	58	14%	0.142	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	139.6	162.1	-173.6	0	0	0	0	109.6	E49 W78 F87	E49-C85 WeakPolarHBondContact OE1-CB 3.34Å; E49-C85 PolarHBondContact OE1-N 2.96Å; E49-C85 WeakPolarHBondContact OE2-CB 3.45Å; W78-C85 HydrophobicContact CD2-CB 4.21Å; W78-C85 HydrophobicContact CE3-CB 3.77Å; W78-C85 VanDerWaalsContact CE3-N 3.3Å; W78-C85 HydrophobicContact CH2-CB 4.35Å; W78-C85 HydrophobicContact CZ3-CB 3.81Å; C85-F87 PolarHBondContact SG-O 2.96Å
86	L	94	Very high	94.2	Very high	68 Å²	68	57.9 Å²	57.9	36%	0.356	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-44.8	174.8	-65.3	-175.8	0	0	0	111.4	L65 V77 N79 L82	L65-L86 HydrophobicContact CD2-CD1 3.59Å; V77-L86 WeakPolarHBondContact O-CB 3.47Å; V77-L86 PolarHBondContact O-N 3.1Å; N79-L86 HydrophobicContact CB-CD1 4.05Å; N79-L86 HydrophobicContact CB-CD2 3.87Å; N79-L86 HydrophobicContact CB-CG 3.94Å; L82-L86 HydrophobicContact CD1-CD2 4.49Å
87	F	94.5	Very high	94.2	Very high	30 Å²	30	59.2 Å²	59.2	13%	0.132	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	162.2	177.8	53.5	-92.5	0	0	0	110.3	V77 C85 L89 W122 R125	V77-F87 HydrophobicContact CB-CD2 4.3Å; V77-F87 HydrophobicContact CB-CE1 4.33Å; V77-F87 HydrophobicContact CB-CE2 3.82Å; V77-F87 HydrophobicContact CB-CZ 3.83Å; V77-F87 HydrophobicContact CG1-CE1 4.37Å; V77-F87 HydrophobicContact CG1-CE2 4.47Å; V77-F87 HydrophobicContact CG1-CZ 3.99Å; V77-F87 HydrophobicContact CG2-CD2 4.33Å; V77-F87 HydrophobicContact CG2-CE2 3.63Å; V77-F87 HydrophobicContact CG2-CZ 3.95Å; V77-F87 PolarHBondContact N-O 3.46Å; C85-F87 PolarHBondContact SG-O 2.96Å; F87-L89 HydrophobicContact CD2-CD2 3.98Å; F87-L89 HydrophobicContact CD2-CG 4.29Å; F87-L89 HydrophobicContact CE2-CD2 3.95Å; F87-L89 HydrophobicContact CE2-CG 4.21Å; F87-W122 HydrophobicContact CZ-CB 4.31Å; F87-W122 WeakPolarHBondContact CZ-O 3.48Å; F87-R125 HydrophobicContact CD2-CG 4.23Å; F87-R125 HydrophobicContact CE2-CG 4.17Å; F87-R125 HydrophobicContact CZ-CG 4.44Å
88	T	95.8	Very high	94.2	Very high	54 Å²	54	59.5 Å²	59.5	33%	0.331	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.3	174.6	-54.7	0	0	0	0	109.1	K74 I75 K76 L90	K74-T88 HydrophobicContact CB-CG2 3.66Å; K74-T88 HydrophobicContact CD-CG2 4.28Å; K74-T88 HydrophobicContact CG-CG2 3.77Å; I75-T88 CarbonylContact O-C 3.54Å; I75-T88 WeakPolarHBondContact O-CA 3.48Å; K76-T88 HydrophobicContact CG-CG2 4.21Å; T88-L90 HydrophobicContact CG2-CD2 3.98Å; T88-L90 HydrophobicContact CG2-CG 4.46Å
89	L	94.3	Very high	94.2	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.7	169.2	-52.3	171.1	0	0	0	108.4	I75 F87 I108 W120 R125	I75-L89 HydrophobicContact CB-CB 4.22Å; I75-L89 HydrophobicContact CG2-CD1 4.44Å; I75-L89 PolarHBondContact N-O 3.01Å; I75-L89 VanDerWaalsContact N-O 3.16Å; I75-L89 PolarHBondContact O-N 2.93Å; F87-L89 HydrophobicContact CD2-CD2 3.98Å; F87-L89 HydrophobicContact CD2-CG 4.29Å; F87-L89 HydrophobicContact CE2-CD2 3.95Å; F87-L89 HydrophobicContact CE2-CG 4.21Å; L89-I108 HydrophobicContact CD1-CD1 4.36Å; L89-W120 HydrophobicContact CB-CD2 4.45Å; L89-W120 HydrophobicContact CB-CE3 4.05Å; L89-W120 HydrophobicContact CB-CZ3 4.24Å; L89-W120 HydrophobicContact CD1-CB 3.85Å; L89-W120 HydrophobicContact CD1-CD2 4.22Å; L89-W120 HydrophobicContact CD1-CE3 4.28Å; L89-W120 HydrophobicContact CD1-CG 4.04Å; L89-R125 HydrophobicContact CD2-CB 3.87Å
90	L	93.3	Very high	94.2	Very high	121 Å²	121	60.2 Å²	60.2	63%	0.634	29%	0.287	S	S	*	.			trans	-125.1	143.8	-175.4	-62.1	175.1	0	0	0	109.6	K74 T88 W120	K74-L90 HydrophobicContact CG-CD2 3.68Å; T88-L90 HydrophobicContact CG2-CD2 3.98Å; T88-L90 HydrophobicContact CG2-CG 4.46Å; L90-W120 WeakPolarHBondContact O-CH2 3.41Å; L90-W120 WeakPolarHBondContact O-CZ3 3.32Å
91	G	88	Confident	94.4	Very high	33 Å²	33	60.1 Å²	60.1	34%	0.34	29%	0.287	S	S	.	.			trans	151.6	-15.5	168.8	0	0	0	0	0	116	R118	G91-R118 PolarHBondContact O-NH1 3.49Å; G91-R118 PolarHBondContact O-NH2 3.18Å
92	H	94.2	Very high	94.4	Very high	11 Å²	11	53.8 Å²	53.8	5%	0.051	26%	0.26	C	S	.	.			trans	-66.8	150.5	162.7	-84.3	-62.6	0	0	0	110.4	I96 S110 S112 D114 T116	H92-I96 HydrophobicContact CB-CG1 4.31Å; H92-S110 PolarHBondContact CD2-OG 3.4Å; H92-S110 PolarHBondContact NE2-OG 3.01Å; H92-S112 VanDerWaalsContact CE1-CB 3.45Å; H92-S112 WeakPolarHBondContact CE1-CB 3.4Å; H92-S112 WeakPolarHBondContact ND1-CB 3.39Å; H92-D114 WeakPolarHBondContact CA-OD2 3.37Å; H92-D114 IonicContact CE1-OD1 2.76Å; H92-D114 IonicContact CE1-OD2 2.88Å; H92-D114 IonicContact CG-OD2 2.67Å; H92-D114 VanDerWaalsContact ND1-CG 3.32Å; H92-D114 IonicContact ND1-OD1 3.21Å; H92-D114 PolarHBondContact ND1-OD1 3.04Å; H92-D114 IonicContact ND1-OD2 2.81Å; H92-D114 PolarHBondContact ND1-OD2 3.45Å; H92-T116 PolarHBondContact CE1-OG1 3.27Å
93	L	93.9	Very high	94.3	Very high	134 Å²	134	50.8 Å²	50.8	70%	0.702	24%	0.243	S	C	*	.			trans	-105.4	-10.3	-175.7	-58.2	178.8	0	0	0	114	D114	L93-D114 HydrophobicContact CB-CB 4.04Å; L93-D114 PolarHBondContact N-OD2 3.23Å
94	D	96.1	Very high	94.2	Very high	44 Å²	44	49.6 Å²	49.6	24%	0.235	24%	0.244	C	C	.	.	S	Bend	trans	-148.8	177.6	-177.1	-152.9	-20.9	0	0	0	110.6	Y73 I96 S112 D113 D114	Y73-D94 VanDerWaalsContact CD1-CA 3.49Å; Y73-D94 WeakPolarHBondContact CD1-O 3.32Å; Y73-D94 VanDerWaalsContact CE1-C 3.47Å; Y73-D94 VanDerWaalsContact CE1-CA 3.44Å; D94-I96 PolarHBondContact O-N 2.81Å; D94-S112 PolarHBondContact O-OG 2.88Å; D94-D113 HydrophobicContact CB-CB 3.84Å; D94-D114 HydrophobicContact CB-CB 4.12Å
95	Y	96.9	Very high	94.1	Very high	91 Å²	91	44.5 Å²	44.5	36%	0.357	23%	0.225	S	C	.	.			trans	-49.8	135	-170.4	-59	-35.7	0	0	0	113.6	D71 Y73 S112 D113	D71-Y95 VanDerWaalsContact CA-CD1 3.47Å; D71-Y95 HydrophobicContact CB-CD1 3.45Å; D71-Y95 VanDerWaalsContact CB-CD1 3.45Å; D71-Y95 HydrophobicContact CB-CE1 3.73Å; D71-Y95 HydrophobicContact CB-CG 4.17Å; D71-Y95 VanDerWaalsContact O-CD1 3.24Å; D71-Y95 WeakPolarHBondContact O-CD1 3.46Å; D71-Y95 WeakPolarHBondContact O-CE1 3.24Å; Y73-Y95 HydrophobicContact CD1-CD1 4.15Å; Y73-Y95 AromaticContact CE1-CD1 3.52Å; Y73-Y95 HydrophobicContact CE1-CD1 3.52Å; Y73-Y95 AromaticContact CE1-CE1 3.83Å; Y73-Y95 HydrophobicContact CE1-CE1 3.83Å; Y73-Y95 HydrophobicContact CE1-CG 4.43Å; Y95-S112 CarbonylContact O-C 3.53Å; Y95-S112 WeakPolarHBondContact O-CA 3.32Å; Y95-S112 PolarHBondContact O-OG 2.8Å; Y95-D113 WeakPolarHBondContact CD2-OD2 3.36Å; Y95-D113 PolarHBondContact O-N 3.1Å
96	I	97.4	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.5	178.7	-61.2	156.4	0	0	0	109.2	G70 Y73 K74 I75 H92 D94 T99	G70-I96 PolarHBondContact O-N 3.41Å; Y73-I96 VanDerWaalsContact C-CD1 3.44Å; K74-I96 WeakPolarHBondContact O-CD1 3.34Å; I75-I96 HydrophobicContact CG1-CD1 3.63Å; H92-I96 HydrophobicContact CB-CG1 4.31Å; D94-I96 PolarHBondContact O-N 2.81Å; I96-T99 HydrophobicContact CG2-CG2 3.68Å
97	R	95.8	Very high	94.1	Very high	45 Å²	45	41.9 Å²	41.9	17%	0.17	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-45.2	-173.2	-63	-61.4	-176.9	140.2	-9.1	113.4	R55 A111 D113 M139	R55-R97 CarbonylContact C-O 3.57Å; R55-R97 WeakPolarHBondContact CB-O 3.46Å; R97-A111 PolarHBondContact N-O 2.82Å; R97-D113 WeakPolarHBondContact CG-OD1 3.38Å; R97-D113 IonicContact CZ-OD1 2.69Å; R97-D113 IonicContact CZ-OD2 3.34Å; R97-D113 VanDerWaalsContact CZ-OD2 3.29Å; R97-D113 VanDerWaalsContact NE-CG 3.3Å; R97-D113 IonicContact NE-OD1 2.81Å; R97-D113 PolarHBondContact NE-OD1 3.07Å; R97-D113 IonicContact NE-OD2 2.71Å; R97-D113 PolarHBondContact NE-OD2 3.25Å; R97-D113 VanDerWaalsContact NE-OD2 3.14Å; R97-D113 IonicContact NH2-OD1 3.4Å; R97-D113 PolarHBondContact NH2-OD1 3.19Å; R97-D113 IonicContact NH2-OD2 3.37Å; R97-D113 PolarHBondContact NH2-OD2 3.44Å; R97-M139 WeakPolarHBondContact CB-O 3.44Å; R97-M139 HydrophobicContact CG-SD 4.47Å
98	T	96.4	Very high	94.2	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149	177.4	52.9	0	0	0	0	111.7	F100 S110 A111 C140 A141 W210	T98-F100 HydrophobicContact CG2-CE2 4.28Å; T98-S110 WeakPolarHBondContact O-CA 3.34Å; T98-A111 PolarHBondContact O-N 3.23Å; T98-C140 HydrophobicContact CG2-CB 4.28Å; T98-A141 PolarHBondContact OG1-N 3.45Å; T98-A141 VanDerWaalsContact OG1-N 3.07Å; T98-W210 HydrophobicContact CG2-CH2 4.08Å; T98-W210 HydrophobicContact CG2-CZ3 3.75Å
99	T	96.9	Very high	94.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.8	171.8	55.7	0	0	0	0	110.1	G56 I57 I75 I96 L109	G56-T99 WeakPolarHBondContact CA-OG1 3.46Å; I57-T99 PolarHBondContact N-OG1 3.33Å; I75-T99 HydrophobicContact CG1-CG2 4.49Å; I96-T99 HydrophobicContact CG2-CG2 3.68Å; T99-L109 CarbonylContact C-O 3.52Å; T99-L109 WeakPolarHBondContact CA-O 3.24Å
100	F	96.4	Very high	94.4	Very high	36 Å²	36	37.6 Å²	37.6	16%	0.158	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	147.5	179.1	-67.6	-75.5	0	0	0	112.1	D58 T98 I108 L109 A141 Q142 W210	D58-F100 HydrophobicContact CB-CD1 4.1Å; T98-F100 HydrophobicContact CG2-CE2 4.28Å; F100-I108 CarbonylContact O-C 3.36Å; F100-I108 WeakPolarHBondContact O-CA 3.05Å; F100-L109 PolarHBondContact N-O 2.89Å; F100-L109 PolarHBondContact O-N 3.43Å; F100-A141 WeakPolarHBondContact CD2-O 3.38Å; F100-A141 VanDerWaalsContact CE2-O 3.28Å; F100-A141 WeakPolarHBondContact CE2-O 3.32Å; F100-Q142 HydrophobicContact CD2-CG 4.36Å; F100-Q142 HydrophobicContact CE2-CB 4.45Å; F100-Q142 HydrophobicContact CE2-CG 4.32Å; F100-W210 HydrophobicContact CZ-CH2 4.2Å; F100-W210 HydrophobicContact CZ-CZ2 4.35Å
101	F	96.1	Very high	94.5	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.057	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.7	167.5	-79.8	-74.7	0	0	0	111.4	D58 H60 L65 V67 I108 W122	D58-F101 HydrophobicContact CB-CD2 4.5Å; D58-F101 PolarHBondContact OD2-N 2.89Å; H60-F101 HydrophobicContact CB-CD2 3.9Å; H60-F101 HydrophobicContact CB-CE1 4.43Å; H60-F101 HydrophobicContact CB-CE2 3.79Å; H60-F101 HydrophobicContact CB-CG 4.25Å; H60-F101 HydrophobicContact CB-CZ 4.07Å; H60-F101 AromaticContact CD2-CD1 3.68Å; H60-F101 AromaticContact CD2-CE1 3.82Å; L65-F101 HydrophobicContact CB-CZ 4.49Å; V67-F101 HydrophobicContact CB-CD2 4.42Å; V67-F101 HydrophobicContact CB-CE2 3.68Å; V67-F101 HydrophobicContact CB-CZ 3.83Å; V67-F101 HydrophobicContact CG1-CD2 3.8Å; V67-F101 HydrophobicContact CG1-CE2 3.54Å; V67-F101 HydrophobicContact CG1-CZ 4.11Å; F101-I108 HydrophobicContact CD1-CD1 4.42Å; F101-I108 HydrophobicContact CD1-CG1 3.71Å; F101-I108 HydrophobicContact CE1-CD1 3.77Å; F101-I108 HydrophobicContact CE1-CG1 3.57Å; F101-I108 HydrophobicContact CZ-CD1 4.22Å; F101-I108 HydrophobicContact CZ-CG1 4.34Å; F101-W122 AromaticContact CE1-CD1 3.83Å; F101-W122 HydrophobicContact CE1-CG 4.35Å
102	H	93.8	Very high	95	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.032	14%	0.142	C	C	.	.			trans	-68.2	155.6	164.1	-168.9	-91.3	0	0	0	110.8	E104 Y105 W107 F143	H102-E104 PolarHBondContact ND1-N 3.26Å; H102-Y105 AromaticContact CE1-CD2 3.2Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.43Å; H102-Y105 AromaticContact CE1-CE2 3.58Å; H102-Y105 AromaticContact ND1-CD2 3.42Å; H102-Y105 WeakPolarHBondContact ND1-CD2 3.45Å; H102-Y105 AromaticContact ND1-CG 3.96Å; H102-Y105 PolarHBondContact ND1-N 3.09Å; H102-Y105 AromaticContact NE2-CD2 3.94Å; H102-W107 HydrophobicContact CB-CB 3.81Å; H102-W107 PolarHBondContact N-O 3.42Å; H102-F143 HydrophobicContact CB-CD2 3.94Å; H102-F143 HydrophobicContact CB-CE2 3.56Å; H102-F143 HydrophobicContact CB-CZ 3.94Å; H102-F143 AromaticContact CD2-CD1 3.62Å; H102-F143 AromaticContact CD2-CD2 3.87Å; H102-F143 AromaticContact CD2-CE1 3.79Å; H102-F143 AromaticContact CD2-CG 3.66Å; H102-F143 AromaticContact CD2-CZ 3.98Å
103	H	88.6	Confident	95.1	Very high	35 Å²	35	30 Å²	30	16%	0.162	14%	0.141	C	C	.	.	S	Bend	trans	-85	-25.8	-172.4	60.5	-82.9	0	0	0	114.6	K61 H144 P145	K61-H103 HydrophobicContact CD-CB 4.15Å; H103-H144 PolarHBondContact CE1-O 3.08Å; H103-P145 PolarHBondContact NE2-O 2.79Å
104	E	89.2	Confident	95.1	Very high	134 Å²	134	25 Å²	25	63%	0.626	12%	0.115	S	C	*	.	S	Bend	trans	-118.6	-68.4	177.2	-67.5	177.4	170.9	0	0	112.6	H102	H102-E104 PolarHBondContact ND1-N 3.26Å
105	Y	90.4	Very high	95.1	Very high	45 Å²	45	27.1 Å²	27.1	18%	0.176	12%	0.124	C	C	.	.	S	Bend	trans	-61.1	154.2	179.5	-50.2	-60.3	0	0	0	113.9	H102 W107 R168	H102-Y105 AromaticContact CE1-CD2 3.2Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.43Å; H102-Y105 AromaticContact CE1-CE2 3.58Å; H102-Y105 AromaticContact ND1-CD2 3.42Å; H102-Y105 WeakPolarHBondContact ND1-CD2 3.45Å; H102-Y105 AromaticContact ND1-CG 3.96Å; H102-Y105 PolarHBondContact ND1-N 3.09Å; H102-Y105 AromaticContact NE2-CD2 3.94Å; Y105-W107 AromaticContact CD2-CE3 3.88Å; Y105-W107 HydrophobicContact CD2-CE3 3.88Å; Y105-W107 HydrophobicContact CD2-CH2 4.05Å; Y105-W107 AromaticContact CD2-CZ3 3.6Å; Y105-W107 HydrophobicContact CD2-CZ3 3.6Å; Y105-W107 HydrophobicContact CG-CD2 4.34Å; Y105-W107 HydrophobicContact CG-CE3 4.14Å; Y105-W107 HydrophobicContact CG-CH2 4.27Å; Y105-W107 HydrophobicContact CG-CZ2 4.47Å; Y105-W107 HydrophobicContact CG-CZ3 4.09Å; Y105-W107 PolarHBondContact O-N 3.42Å; Y105-R168 HydrophobicContact CE1-CG 4.42Å; Y105-R168 HydrophobicContact CE2-CG 4.32Å; Y105-R168 PolarHBondContact OH-NE 2.81Å
106	P	92.6	Very high	95	Very high	32 Å²	32	23.7 Å²	23.7	21%	0.208	11%	0.112	C	C	.	.	S	Bend	trans	-76.7	48.7	178.8	34.5	-37.9	0	0	0	112.4	N121 W122 Q123	P106-N121 WeakPolarHBondContact O-CA 3.43Å; P106-W122 HydrophobicContact CB-CZ2 4.27Å; P106-W122 PolarHBondContact O-N 2.87Å; P106-Q123 HydrophobicContact CB-CG 3.86Å
107	W	94.4	Very high	94.9	Very high	1 Å²	1	23.7 Å²	23.7	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.4	-175.4	-63.3	-24.6	0	0	0	112.8	H102 Y105 I119 W120 F143 I164 L167 R168 N171	H102-W107 HydrophobicContact CB-CB 3.81Å; H102-W107 PolarHBondContact N-O 3.42Å; Y105-W107 AromaticContact CD2-CE3 3.88Å; Y105-W107 HydrophobicContact CD2-CE3 3.88Å; Y105-W107 HydrophobicContact CD2-CH2 4.05Å; Y105-W107 AromaticContact CD2-CZ3 3.6Å; Y105-W107 HydrophobicContact CD2-CZ3 3.6Å; Y105-W107 HydrophobicContact CG-CD2 4.34Å; Y105-W107 HydrophobicContact CG-CE3 4.14Å; Y105-W107 HydrophobicContact CG-CH2 4.27Å; Y105-W107 HydrophobicContact CG-CZ2 4.47Å; Y105-W107 HydrophobicContact CG-CZ3 4.09Å; Y105-W107 PolarHBondContact O-N 3.42Å; W107-I119 HydrophobicContact CB-CG2 4.01Å; W107-I119 HydrophobicContact CD2-CG2 4.09Å; W107-I119 HydrophobicContact CE3-CG2 4.49Å; W107-I119 HydrophobicContact CG-CG2 3.89Å; W107-W120 CarbonylContact C-O 3.59Å; W107-W120 WeakPolarHBondContact CA-O 3.44Å; W107-F143 HydrophobicContact CB-CZ 4.24Å; W107-I164 HydrophobicContact CZ3-CD1 3.99Å; W107-L167 HydrophobicContact CH2-CB 3.75Å; W107-L167 HydrophobicContact CZ2-CB 3.91Å; W107-L167 HydrophobicContact CZ2-CD2 4.23Å; W107-R168 HydrophobicContact CH2-CB 4.28Å; W107-N171 VanDerWaalsContact CZ2-ND2 3.35Å; W107-N171 WeakPolarHBondContact CZ2-ND2 3.5Å; W107-N171 PolarHBondContact NE1-ND2 3.06Å
108	I	96.9	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.8	167.5	-66.2	170.1	0	0	0	107.1	V67 I75 V77 L89 F100 F101 I119 W120 W122	V67-I108 HydrophobicContact CB-CD1 4.33Å; V67-I108 HydrophobicContact CG2-CD1 3.97Å; V67-I108 HydrophobicContact CG2-CG2 4.07Å; I75-I108 HydrophobicContact CG2-CG2 4.5Å; V77-I108 HydrophobicContact CG2-CD1 3.72Å; L89-I108 HydrophobicContact CD1-CD1 4.36Å; F100-I108 CarbonylContact O-C 3.36Å; F100-I108 WeakPolarHBondContact O-CA 3.05Å; F101-I108 HydrophobicContact CD1-CD1 4.42Å; F101-I108 HydrophobicContact CD1-CG1 3.71Å; F101-I108 HydrophobicContact CE1-CD1 3.77Å; F101-I108 HydrophobicContact CE1-CG1 3.57Å; F101-I108 HydrophobicContact CZ-CD1 4.22Å; F101-I108 HydrophobicContact CZ-CG1 4.34Å; I108-I119 WeakPolarHBondContact O-CA 3.18Å; I108-W120 HydrophobicContact CB-CB 4.4Å; I108-W120 PolarHBondContact N-O 3.21Å; I108-W120 PolarHBondContact O-N 3.39Å; I108-W122 HydrophobicContact CD1-CB 3.67Å; I108-W122 HydrophobicContact CD1-CG 4.32Å; I108-W122 HydrophobicContact CG1-CB 4.21Å
109	L	96.9	Very high	94.8	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.8	168.3	-169.6	67.8	0	0	0	109.1	T99 F100 I117 R118 I119 A141 F143 V150	T99-L109 CarbonylContact C-O 3.52Å; T99-L109 WeakPolarHBondContact CA-O 3.24Å; F100-L109 PolarHBondContact N-O 2.89Å; F100-L109 PolarHBondContact O-N 3.43Å; L109-I117 HydrophobicContact CD1-CG2 3.47Å; L109-I117 VanDerWaalsContact CD1-CG2 3.47Å; L109-I117 HydrophobicContact CG-CG2 4.07Å; L109-R118 CarbonylContact C-O 3.58Å; L109-R118 WeakPolarHBondContact CA-O 3.27Å; L109-I119 HydrophobicContact CD1-CD1 4.4Å; L109-I119 HydrophobicContact CD1-CG1 3.72Å; L109-A141 HydrophobicContact CD2-CB 3.82Å; L109-A141 HydrophobicContact CG-CB 4.29Å; L109-F143 HydrophobicContact CB-CD2 4.06Å; L109-F143 HydrophobicContact CB-CE1 4.4Å; L109-F143 HydrophobicContact CB-CE2 3.5Å; L109-F143 VanDerWaalsContact CB-CE2 3.5Å; L109-F143 HydrophobicContact CB-CZ 3.69Å; L109-F143 HydrophobicContact CD1-CE1 4.33Å; L109-F143 HydrophobicContact CD1-CZ 4.28Å; L109-F143 HydrophobicContact CD2-CD2 4.41Å; L109-F143 HydrophobicContact CD2-CG 4.41Å; L109-F143 HydrophobicContact CG-CZ 4.45Å; L109-V150 HydrophobicContact CD1-CG1 4.27Å; L109-V150 HydrophobicContact CD1-CG2 4.33Å; L109-V150 HydrophobicContact CD2-CG1 3.85Å; L109-V150 HydrophobicContact CD2-CG2 4.44Å
110	S	97.2	Very high	94.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.3	168.1	58.6	0	0	0	0	111.8	I75 H92 T98 I117 R118 W120	I75-S110 WeakPolarHBondContact CD1-OG 3.39Å; H92-S110 PolarHBondContact CD2-OG 3.4Å; H92-S110 PolarHBondContact NE2-OG 3.01Å; T98-S110 WeakPolarHBondContact O-CA 3.34Å; S110-I117 CarbonylContact O-C 3.58Å; S110-I117 VanDerWaalsContact O-CA 3.3Å; S110-I117 WeakPolarHBondContact O-CA 3.49Å; S110-I117 WeakPolarHBondContact O-CG2 3.23Å; S110-R118 PolarHBondContact N-O 3.28Å; S110-R118 PolarHBondContact O-N 3.27Å; S110-W120 PolarHBondContact OG-NE1 3.07Å
111	A	96.9	Very high	94.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142	173.7	0	0	0	0	0	109.8	R97 T98 I117 V138 A141	R97-A111 PolarHBondContact N-O 2.82Å; T98-A111 PolarHBondContact O-N 3.23Å; A111-I117 HydrophobicContact CB-CG1 4.42Å; A111-V138 HydrophobicContact CB-CB 4.1Å; A111-V138 HydrophobicContact CB-CG1 3.87Å; A111-A141 HydrophobicContact CB-CB 3.87Å
112	S	97.1	Very high	94.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	162.9	-172.2	173.2	0	0	0	0	112.9	H92 D94 Y95 D114 Q115 T116 V138	H92-S112 VanDerWaalsContact CE1-CB 3.45Å; H92-S112 WeakPolarHBondContact CE1-CB 3.4Å; H92-S112 WeakPolarHBondContact ND1-CB 3.39Å; D94-S112 PolarHBondContact O-OG 2.88Å; Y95-S112 CarbonylContact O-C 3.53Å; Y95-S112 WeakPolarHBondContact O-CA 3.32Å; Y95-S112 PolarHBondContact O-OG 2.8Å; S112-D114 WeakPolarHBondContact CB-OD1 3.37Å; S112-D114 PolarHBondContact O-N 3.24Å; S112-D114 PolarHBondContact OG-N 3.44Å; S112-Q115 PolarHBondContact O-N 3.44Å; S112-T116 PolarHBondContact N-O 3.13Å; S112-V138 PolarHBondContact O-N 3.24Å
113	D	96.6	Very high	94.1	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.032	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.2	167	-70.5	-1.2	0	0	0	112.4	D94 Y95 R97 Q115 Y137	D94-D113 HydrophobicContact CB-CB 3.84Å; Y95-D113 WeakPolarHBondContact CD2-OD2 3.36Å; Y95-D113 PolarHBondContact O-N 3.1Å; R97-D113 WeakPolarHBondContact CG-OD1 3.38Å; R97-D113 IonicContact CZ-OD1 2.69Å; R97-D113 IonicContact CZ-OD2 3.34Å; R97-D113 VanDerWaalsContact CZ-OD2 3.29Å; R97-D113 VanDerWaalsContact NE-CG 3.3Å; R97-D113 IonicContact NE-OD1 2.81Å; R97-D113 PolarHBondContact NE-OD1 3.07Å; R97-D113 IonicContact NE-OD2 2.71Å; R97-D113 PolarHBondContact NE-OD2 3.25Å; R97-D113 VanDerWaalsContact NE-OD2 3.14Å; R97-D113 IonicContact NH2-OD1 3.4Å; R97-D113 PolarHBondContact NH2-OD1 3.19Å; R97-D113 IonicContact NH2-OD2 3.37Å; R97-D113 PolarHBondContact NH2-OD2 3.44Å; D113-Q115 PolarHBondContact O-N 3.15Å; D113-Y137 HydrophobicContact CB-CD1 3.64Å; D113-Y137 HydrophobicContact CB-CE1 3.95Å; D113-Y137 HydrophobicContact CB-CG 3.96Å; D113-Y137 WeakPolarHBondContact O-CD1 3.49Å; D113-Y137 WeakPolarHBondContact OD1-CB 3.15Å
114	D	95	Very high	94.2	Very high	28 Å²	28	29.8 Å²	29.8	15%	0.15	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	10.6	172.5	80	2.8	0	0	0	114.3	H92 L93 D94 S112 T116 R118	H92-D114 WeakPolarHBondContact CA-OD2 3.37Å; H92-D114 IonicContact CE1-OD1 2.76Å; H92-D114 IonicContact CE1-OD2 2.88Å; H92-D114 IonicContact CG-OD2 2.67Å; H92-D114 VanDerWaalsContact ND1-CG 3.32Å; H92-D114 IonicContact ND1-OD1 3.21Å; H92-D114 PolarHBondContact ND1-OD1 3.04Å; H92-D114 IonicContact ND1-OD2 2.81Å; H92-D114 PolarHBondContact ND1-OD2 3.45Å; L93-D114 HydrophobicContact CB-CB 4.04Å; L93-D114 PolarHBondContact N-OD2 3.23Å; D94-D114 HydrophobicContact CB-CB 4.12Å; S112-D114 WeakPolarHBondContact CB-OD1 3.37Å; S112-D114 PolarHBondContact O-N 3.24Å; S112-D114 PolarHBondContact OG-N 3.44Å; D114-T116 PolarHBondContact O-N 2.88Å; D114-T116 VanDerWaalsContact O-N 3.12Å; D114-T116 WeakPolarHBondContact OD1-CA 3.5Å; D114-T116 WeakPolarHBondContact OD1-CB 3.04Å; D114-T116 PolarHBondContact OD1-N 3.21Å; D114-T116 PolarHBondContact OD1-OG1 3.13Å; D114-T116 PolarHBondContact OD2-OG1 3.19Å; D114-R118 IonicContact OD2-NH2 2.67Å; D114-R118 PolarHBondContact OD2-NH2 2.72Å
115	Q	94.8	Very high	94.3	Very high	89 Å²	89	31.1 Å²	31.1	42%	0.416	15%	0.147	S	C	.	.	S	Bend	trans	66.9	2.5	179	-46.6	176.5	9.8	0	0	114	S112 D113	S112-Q115 PolarHBondContact O-N 3.44Å; D113-Q115 PolarHBondContact O-N 3.15Å
116	T	94.7	Very high	94.2	Very high	18 Å²	18	32.4 Å²	32.4	11%	0.11	16%	0.159	C	C	.	.			trans	-105.2	152.4	178.7	77.1	0	0	0	0	112.9	H92 S112 D114 R118 V130 T132	H92-T116 PolarHBondContact CE1-OG1 3.27Å; S112-T116 PolarHBondContact N-O 3.13Å; D114-T116 PolarHBondContact O-N 2.88Å; D114-T116 VanDerWaalsContact O-N 3.12Å; D114-T116 WeakPolarHBondContact OD1-CA 3.5Å; D114-T116 WeakPolarHBondContact OD1-CB 3.04Å; D114-T116 PolarHBondContact OD1-N 3.21Å; D114-T116 PolarHBondContact OD1-OG1 3.13Å; D114-T116 PolarHBondContact OD2-OG1 3.19Å; T116-R118 PolarHBondContact OG1-NE 2.83Å; T116-V130 HydrophobicContact CG2-CG1 3.95Å; T116-T132 HydrophobicContact CG2-CG2 4.16Å
117	I	96.1	Very high	94.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.6	163.9	-53.4	151.1	0	0	0	106.6	L109 S110 A111 L131 V138 A141 W162	L109-I117 HydrophobicContact CD1-CG2 3.47Å; L109-I117 VanDerWaalsContact CD1-CG2 3.47Å; L109-I117 HydrophobicContact CG-CG2 4.07Å; S110-I117 CarbonylContact O-C 3.58Å; S110-I117 VanDerWaalsContact O-CA 3.3Å; S110-I117 WeakPolarHBondContact O-CA 3.49Å; S110-I117 WeakPolarHBondContact O-CG2 3.23Å; A111-I117 HydrophobicContact CB-CG1 4.42Å; I117-L131 HydrophobicContact CB-CB 4.15Å; I117-L131 HydrophobicContact CB-CD1 3.83Å; I117-L131 HydrophobicContact CG2-CD1 3.75Å; I117-L131 PolarHBondContact N-O 3.21Å; I117-L131 VanDerWaalsContact N-O 3.15Å; I117-L131 PolarHBondContact O-N 2.89Å; I117-V138 HydrophobicContact CD1-CG1 4.05Å; I117-V138 HydrophobicContact CG1-CB 4.33Å; I117-V138 HydrophobicContact CG1-CG1 3.78Å; I117-V138 HydrophobicContact CG1-CG2 4.27Å; I117-A141 HydrophobicContact CD1-CB 4.28Å; I117-A141 HydrophobicContact CG1-CB 4.2Å; I117-A141 HydrophobicContact CG2-CB 3.84Å; I117-W162 HydrophobicContact CD1-CZ2 4.21Å
118	R	95.3	Very high	93.8	Very high	37 Å²	37	35.1 Å²	35.1	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.2	-176.6	-63.7	-174.4	-173.2	-153.8	17.7	111.8	G91 L109 S110 D114 T116 W120 C129 V130	G91-R118 PolarHBondContact O-NH1 3.49Å; G91-R118 PolarHBondContact O-NH2 3.18Å; L109-R118 CarbonylContact C-O 3.58Å; L109-R118 WeakPolarHBondContact CA-O 3.27Å; S110-R118 PolarHBondContact N-O 3.28Å; S110-R118 PolarHBondContact O-N 3.27Å; D114-R118 IonicContact OD2-NH2 2.67Å; D114-R118 PolarHBondContact OD2-NH2 2.72Å; T116-R118 PolarHBondContact OG1-NE 2.83Å; R118-W120 HydrophobicContact CB-CZ2 4.04Å; R118-W120 HydrophobicContact CG-CZ2 4.49Å; R118-C129 WeakPolarHBondContact CA-O 3.47Å; R118-V130 HydrophobicContact CG-CB 4.46Å; R118-V130 HydrophobicContact CG-CG1 4.11Å; R118-V130 HydrophobicContact CG-CG2 4.14Å
119	I	94.8	Very high	93.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.1	173	-62	175.4	0	0	0	107.7	W107 I108 L109 V128 C129 L131 F143 I164 L167	W107-I119 HydrophobicContact CB-CG2 4.01Å; W107-I119 HydrophobicContact CD2-CG2 4.09Å; W107-I119 HydrophobicContact CE3-CG2 4.49Å; W107-I119 HydrophobicContact CG-CG2 3.89Å; I108-I119 WeakPolarHBondContact O-CA 3.18Å; L109-I119 HydrophobicContact CD1-CD1 4.4Å; L109-I119 HydrophobicContact CD1-CG1 3.72Å; I119-V128 PolarHBondContact O-N 3.06Å; I119-C129 HydrophobicContact CB-CB 4.46Å; I119-C129 PolarHBondContact N-O 3.43Å; I119-C129 PolarHBondContact O-N 2.89Å; I119-L131 HydrophobicContact CD1-CD1 4.13Å; I119-L131 HydrophobicContact CG1-CD1 4.21Å; I119-F143 HydrophobicContact CD1-CE1 4.37Å; I119-I164 HydrophobicContact CD1-CD1 4.43Å; I119-I164 HydrophobicContact CD1-CG2 3.94Å; I119-L167 HydrophobicContact CD1-CD1 4.08Å; I119-L167 HydrophobicContact CG2-CD2 4.42Å
120	W	94.4	Very high	93.2	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.8	-178.8	-48.6	80.3	0	0	0	110	I75 L89 L90 W107 I108 S110 R118 T126 C127	I75-W120 HydrophobicContact CD1-CD2 4.41Å; I75-W120 HydrophobicContact CD1-CZ2 3.95Å; I75-W120 VanDerWaalsContact CD1-NE1 3.3Å; L89-W120 HydrophobicContact CB-CD2 4.45Å; L89-W120 HydrophobicContact CB-CE3 4.05Å; L89-W120 HydrophobicContact CB-CZ3 4.24Å; L89-W120 HydrophobicContact CD1-CB 3.85Å; L89-W120 HydrophobicContact CD1-CD2 4.22Å; L89-W120 HydrophobicContact CD1-CE3 4.28Å; L89-W120 HydrophobicContact CD1-CG 4.04Å; L90-W120 WeakPolarHBondContact O-CH2 3.41Å; L90-W120 WeakPolarHBondContact O-CZ3 3.32Å; W107-W120 CarbonylContact C-O 3.59Å; W107-W120 WeakPolarHBondContact CA-O 3.44Å; I108-W120 HydrophobicContact CB-CB 4.4Å; I108-W120 PolarHBondContact N-O 3.21Å; I108-W120 PolarHBondContact O-N 3.39Å; S110-W120 PolarHBondContact OG-NE1 3.07Å; R118-W120 HydrophobicContact CB-CZ2 4.04Å; R118-W120 HydrophobicContact CG-CZ2 4.49Å; W120-T126 WeakPolarHBondContact CA-O 3.48Å; W120-C127 HydrophobicContact CD2-CB 4.3Å; W120-C127 HydrophobicContact CE3-CB 3.69Å; W120-C127 HydrophobicContact CH2-CB 4.27Å; W120-C127 HydrophobicContact CZ3-CB 3.68Å
121	N	92.9	Very high	93	Very high	27 Å²	27	38.9 Å²	38.9	14%	0.144	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.5	165.5	176	-17.4	0	0	0	108.1	P106 Q123 S124 R125 T126 V128	P106-N121 WeakPolarHBondContact O-CA 3.43Å; N121-Q123 VanDerWaalsContact C-N 3.29Å; N121-Q123 PolarHBondContact O-N 3.09Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.2Å; N121-Q123 PolarHBondContact OD1-N 3.23Å; N121-S124 VanDerWaalsContact CB-OG 3.27Å; N121-S124 WeakPolarHBondContact CB-OG 3.35Å; N121-S124 PolarHBondContact O-OG 3.18Å; N121-S124 PolarHBondContact OD1-N 3.29Å; N121-R125 VanDerWaalsContact O-CA 3.28Å; N121-R125 WeakPolarHBondContact O-CA 3.46Å; N121-R125 PolarHBondContact O-N 3.17Å; N121-T126 PolarHBondContact N-O 3.31Å; N121-T126 PolarHBondContact O-N 3.32Å; N121-V128 HydrophobicContact CB-CG2 3.55Å
122	W	91.8	Very high	92.6	Very high	24 Å²	24	43.6 Å²	43.6	9%	0.091	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.4	-174.4	67.4	-103.9	0	0	0	113.2	Q63 L65 F87 F101 P106 I108	Q63-W122 VanDerWaalsContact OE1-CH2 3.22Å; L65-W122 HydrophobicContact CD1-CE3 4.38Å; L65-W122 HydrophobicContact CD1-CH2 4.2Å; L65-W122 HydrophobicContact CD1-CZ3 4.08Å; F87-W122 HydrophobicContact CZ-CB 4.31Å; F87-W122 WeakPolarHBondContact CZ-O 3.48Å; F101-W122 AromaticContact CE1-CD1 3.83Å; F101-W122 HydrophobicContact CE1-CG 4.35Å; P106-W122 HydrophobicContact CB-CZ2 4.27Å; P106-W122 PolarHBondContact O-N 2.87Å; I108-W122 HydrophobicContact CD1-CB 3.67Å; I108-W122 HydrophobicContact CD1-CG 4.32Å; I108-W122 HydrophobicContact CG1-CB 4.21Å
123	Q	90.4	Very high	92.1	Very high	116 Å²	116	45.1 Å²	45.1	54%	0.542	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-49	174.8	-66.2	176.1	-14.3	0	0	111.2	P106 N121 R125	P106-Q123 HydrophobicContact CB-CG 3.86Å; N121-Q123 VanDerWaalsContact C-N 3.29Å; N121-Q123 PolarHBondContact O-N 3.09Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.2Å; N121-Q123 PolarHBondContact OD1-N 3.23Å; Q123-R125 VanDerWaalsContact C-N 3.31Å
124	S	89.8	Confident	92	Very high	60 Å²	60	45.1 Å²	45.1	42%	0.42	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.2	175.3	62.1	0	0	0	0	113.4	N121 T126	N121-S124 VanDerWaalsContact CB-OG 3.27Å; N121-S124 WeakPolarHBondContact CB-OG 3.35Å; N121-S124 PolarHBondContact O-OG 3.18Å; N121-S124 PolarHBondContact OD1-N 3.29Å; S124-T126 PolarHBondContact O-N 3.43Å; S124-T126 PolarHBondContact OG-OG1 3.1Å
125	R	91.9	Very high	91.9	Very high	161 Å²	161	49.7 Å²	49.7	61%	0.608	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	26.5	-176.1	-47.1	177.5	-168.5	167.7	4.2	113.7	F87 L89 N121 Q123	F87-R125 HydrophobicContact CD2-CG 4.23Å; F87-R125 HydrophobicContact CE2-CG 4.17Å; F87-R125 HydrophobicContact CZ-CG 4.44Å; L89-R125 HydrophobicContact CD2-CB 3.87Å; N121-R125 VanDerWaalsContact O-CA 3.28Å; N121-R125 WeakPolarHBondContact O-CA 3.46Å; N121-R125 PolarHBondContact O-N 3.17Å; Q123-R125 VanDerWaalsContact C-N 3.31Å
126	T	88.8	Confident	92	Very high	73 Å²	73	49 Å²	49	45%	0.448	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.9	-178.8	53.2	0	0	0	0	112	W120 N121 S124	W120-T126 WeakPolarHBondContact CA-O 3.48Å; N121-T126 PolarHBondContact N-O 3.31Å; N121-T126 PolarHBondContact O-N 3.32Å; S124-T126 PolarHBondContact O-N 3.43Å; S124-T126 PolarHBondContact OG-OG1 3.1Å
127	C	90.4	Very high	92.1	Very high	49 Å²	49	52.3 Å²	52.3	33%	0.331	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	124.9	164.3	-166.1	0	0	0	0	108	W120	W120-C127 HydrophobicContact CD2-CB 4.3Å; W120-C127 HydrophobicContact CE3-CB 3.69Å; W120-C127 HydrophobicContact CH2-CB 4.27Å; W120-C127 HydrophobicContact CZ3-CB 3.68Å
128	V	87.8	Confident	92.1	Very high	41 Å²	41	52.3 Å²	52.3	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-37.6	-176.3	-167.4	0	0	0	0	111.1	I119 N121 L167	I119-V128 PolarHBondContact O-N 3.06Å; N121-V128 HydrophobicContact CB-CG2 3.55Å; V128-L167 HydrophobicContact CB-CD2 4.01Å; V128-L167 HydrophobicContact CG1-CD2 3.52Å
129	C	89	Confident	92.2	Very high	14 Å²	14	52 Å²	52	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.2	177	178.7	0	0	0	0	110.8	R118 I119 L167	R118-C129 WeakPolarHBondContact CA-O 3.47Å; I119-C129 HydrophobicContact CB-CB 4.46Å; I119-C129 PolarHBondContact N-O 3.43Å; I119-C129 PolarHBondContact O-N 2.89Å; C129-L167 HydrophobicContact CB-CD1 3.74Å; C129-L167 HydrophobicContact CB-CD2 3.78Å; C129-L167 HydrophobicContact CB-CG 4.14Å
130	V	92.1	Very high	92.3	Very high	60 Å²	60	52 Å²	52	36%	0.364	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.9	171.3	-174.8	0	0	0	0	106.8	T116 R118 T132	T116-V130 HydrophobicContact CG2-CG1 3.95Å; R118-V130 HydrophobicContact CG-CB 4.46Å; R118-V130 HydrophobicContact CG-CG1 4.11Å; R118-V130 HydrophobicContact CG-CG2 4.14Å; V130-T132 HydrophobicContact CG1-CG2 4.01Å
131	L	91.7	Very high	92.4	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.2	175.6	-56.6	126.6	0	0	0	107.8	I117 I119 W162 A195	I117-L131 HydrophobicContact CB-CB 4.15Å; I117-L131 HydrophobicContact CB-CD1 3.83Å; I117-L131 HydrophobicContact CG2-CD1 3.75Å; I117-L131 PolarHBondContact N-O 3.21Å; I117-L131 VanDerWaalsContact N-O 3.15Å; I117-L131 PolarHBondContact O-N 2.89Å; I119-L131 HydrophobicContact CD1-CD1 4.13Å; I119-L131 HydrophobicContact CG1-CD1 4.21Å; L131-W162 HydrophobicContact CB-CD2 4.36Å; L131-W162 HydrophobicContact CB-CE3 4.02Å; L131-W162 HydrophobicContact CB-CH2 4.24Å; L131-W162 HydrophobicContact CB-CZ3 3.94Å; L131-W162 HydrophobicContact CD2-CB 3.87Å; L131-W162 HydrophobicContact CD2-CD2 3.67Å; L131-W162 HydrophobicContact CD2-CE3 3.41Å; L131-W162 VanDerWaalsContact CD2-CE3 3.41Å; L131-W162 HydrophobicContact CD2-CG 3.88Å; L131-W162 HydrophobicContact CD2-CZ3 4.15Å; L131-W162 HydrophobicContact CG-CE3 4.35Å; L131-A195 HydrophobicContact CD2-CB 3.43Å; L131-A195 VanDerWaalsContact CD2-CB 3.43Å; L131-A195 HydrophobicContact CG-CB 4.36Å
132	T	90.2	Very high	92.5	Very high	99 Å²	99	53.1 Å²	53.1	61%	0.607	28%	0.282	S	S	*	.			trans	-107.6	146.8	177	55.4	0	0	0	0	110.1	T116 V130 W162	T116-T132 HydrophobicContact CG2-CG2 4.16Å; V130-T132 HydrophobicContact CG1-CG2 4.01Å; T132-W162 WeakPolarHBondContact O-CH2 3.34Å
133	G	86.6	Confident	92.7	Very high	32 Å²	32	52.6 Å²	52.6	33%	0.33	28%	0.28	S	S	.	.			trans	144.6	-16.9	172.5	0	0	0	0	0	115.7	R160	G133-R160 PolarHBondContact O-NH1 2.95Å; G133-R160 PolarHBondContact O-NH2 2.86Å
134	H	93.6	Very high	92.9	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.028	26%	0.256	C	S	.	.			trans	-68.5	145.3	165	-86.3	-61.7	0	0	0	110.1	V138 S152 S154 D156 T158	H134-V138 HydrophobicContact CB-CG2 3.87Å; H134-S152 PolarHBondContact NE2-OG 3.08Å; H134-S154 VanDerWaalsContact CE1-CB 3.48Å; H134-S154 WeakPolarHBondContact CE1-CB 3.26Å; H134-S154 WeakPolarHBondContact ND1-CB 3.43Å; H134-D156 WeakPolarHBondContact CA-OD2 3.49Å; H134-D156 IonicContact CE1-OD1 3.98Å; H134-D156 IonicContact CE1-OD2 3.62Å; H134-D156 IonicContact CG-OD2 2.76Å; H134-D156 IonicContact ND1-OD1 3.67Å; H134-D156 PolarHBondContact ND1-OD1 3.28Å; H134-D156 IonicContact ND1-OD2 2.69Å; H134-D156 PolarHBondContact ND1-OD2 2.75Å; H134-T158 PolarHBondContact CE1-OG1 3.25Å; H134-T158 PolarHBondContact ND1-OG1 3.37Å
135	N	93.1	Very high	92.8	Very high	123 Å²	123	47.2 Å²	47.2	66%	0.658	25%	0.253	S	S	*	.	S	Bend	trans	-102.7	4.8	-175.1	-64.7	-25.5	0	0	0	113.2	D156	N135-D156 HydrophobicContact CB-CB 4.21Å; N135-D156 PolarHBondContact N-OD2 3Å
136	H	95.9	Very high	92.6	Very high	75 Å²	75	43.3 Å²	43.3	35%	0.347	25%	0.25	S	S	.	.	S	Bend	trans	-155.5	168.3	177.9	-151.4	-67	0	0	0	109.8	V138 S154 L155 D156	H136-V138 PolarHBondContact O-N 3.02Å; H136-S154 PolarHBondContact O-OG 2.93Å; H136-L155 HydrophobicContact CB-CB 4.19Å; H136-D156 HydrophobicContact CB-CB 3.96Å
137	Y	96.8	Very high	92.6	Very high	88 Å²	88	44.4 Å²	44.4	35%	0.345	25%	0.25	S	S	.	.			trans	-32.1	122.6	173.7	-55.2	-15.4	0	0	0	113.9	D113 M139 S154 L155	D113-Y137 HydrophobicContact CB-CD1 3.64Å; D113-Y137 HydrophobicContact CB-CE1 3.95Å; D113-Y137 HydrophobicContact CB-CG 3.96Å; D113-Y137 WeakPolarHBondContact O-CD1 3.49Å; D113-Y137 WeakPolarHBondContact OD1-CB 3.15Å; Y137-M139 PolarHBondContact O-N 3.24Å; Y137-S154 WeakPolarHBondContact O-CA 3.46Å; Y137-S154 PolarHBondContact O-OG 3.48Å; Y137-S154 VanDerWaalsContact O-OG 3.09Å; Y137-L155 HydrophobicContact CD2-CD1 3.83Å; Y137-L155 HydrophobicContact CG-CD1 4.42Å; Y137-L155 PolarHBondContact O-N 3.35Å; Y137-L155 VanDerWaalsContact O-N 3.09Å
138	V	97.4	Very high	92.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	101.4	178.5	-168.5	0	0	0	0	108.7	A111 S112 I117 H134 H136 A153	A111-V138 HydrophobicContact CB-CB 4.1Å; A111-V138 HydrophobicContact CB-CG1 3.87Å; S112-V138 PolarHBondContact O-N 3.24Å; I117-V138 HydrophobicContact CD1-CG1 4.05Å; I117-V138 HydrophobicContact CG1-CB 4.33Å; I117-V138 HydrophobicContact CG1-CG1 3.78Å; I117-V138 HydrophobicContact CG1-CG2 4.27Å; H134-V138 HydrophobicContact CB-CG2 3.87Å; H136-V138 PolarHBondContact O-N 3.02Å; V138-A153 CarbonylContact C-O 3.58Å; V138-A153 WeakPolarHBondContact CG1-O 3.43Å
139	M	96.4	Very high	92.9	Very high	32 Å²	32	42.1 Å²	42.1	16%	0.158	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-28.4	-170.9	-66.1	-67.3	-78.5	0	0	113.1	R97 Y137 A153 L155 N209	R97-M139 WeakPolarHBondContact CB-O 3.44Å; R97-M139 HydrophobicContact CG-SD 4.47Å; Y137-M139 PolarHBondContact O-N 3.24Å; M139-A153 PolarHBondContact N-O 3.45Å; M139-L155 HydrophobicContact CE-CD2 4.45Å; M139-L155 HydrophobicContact CG-CD1 4.39Å; M139-L155 HydrophobicContact CG-CD2 3.73Å; M139-L155 HydrophobicContact CG-CG 3.68Å; M139-L155 HydrophobicContact SD-CD1 4.16Å; M139-L155 HydrophobicContact SD-CD2 4.33Å; M139-L155 HydrophobicContact SD-CG 4.12Å; M139-N209 VanDerWaalsContact CB-O 3.28Å; M139-N209 WeakPolarHBondContact CB-O 3.17Å; M139-N209 WeakPolarHBondContact CE-OD1 3.39Å
140	C	96.8	Very high	93.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	140	178.5	-173.1	0	0	0	0	110.1	T98 S152 A153 W210	T98-C140 HydrophobicContact CG2-CB 4.28Å; C140-S152 CarbonylContact O-C 3.52Å; C140-S152 VanDerWaalsContact O-CA 3.24Å; C140-S152 WeakPolarHBondContact O-CA 3.48Å; C140-A153 HydrophobicContact CB-CB 4.31Å; C140-A153 PolarHBondContact N-O 2.88Å; C140-A153 PolarHBondContact O-N 3.49Å; C140-W210 HydrophobicContact CB-CD2 4.23Å; C140-W210 HydrophobicContact CB-CE3 3.96Å; C140-W210 HydrophobicContact CB-CZ3 4.43Å
141	A	96.9	Very high	93.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.1	160	0	0	0	0	0	110.3	T98 F100 L109 A111 I117 V150 V151	T98-A141 PolarHBondContact OG1-N 3.45Å; T98-A141 VanDerWaalsContact OG1-N 3.07Å; F100-A141 WeakPolarHBondContact CD2-O 3.38Å; F100-A141 VanDerWaalsContact CE2-O 3.28Å; F100-A141 WeakPolarHBondContact CE2-O 3.32Å; L109-A141 HydrophobicContact CD2-CB 3.82Å; L109-A141 HydrophobicContact CG-CB 4.29Å; A111-A141 HydrophobicContact CB-CB 3.87Å; I117-A141 HydrophobicContact CD1-CB 4.28Å; I117-A141 HydrophobicContact CG1-CB 4.2Å; I117-A141 HydrophobicContact CG2-CB 3.84Å; A141-V150 HydrophobicContact CB-CG1 4.36Å; A141-V151 CarbonylContact C-O 3.6Å; A141-V151 WeakPolarHBondContact CA-O 3.38Å
142	Q	95.7	Very high	93.6	Very high	56 Å²	56	38.3 Å²	38.3	26%	0.262	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	136.7	-177.3	-160.7	-176.5	17.5	0	0	111.4	F100 V150 V151	F100-Q142 HydrophobicContact CD2-CG 4.36Å; F100-Q142 HydrophobicContact CE2-CB 4.45Å; F100-Q142 HydrophobicContact CE2-CG 4.32Å; Q142-V150 WeakPolarHBondContact O-CA 3.39Å; Q142-V151 HydrophobicContact CB-CG1 4.13Å; Q142-V151 PolarHBondContact N-O 3.3Å; Q142-V151 PolarHBondContact O-N 2.85Å
143	F	95.5	Very high	94	Very high	13 Å²	13	33.6 Å²	33.6	6%	0.057	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	145.8	167.5	-68.9	-63.8	0	0	0	111.3	H102 W107 L109 I119 V150 I164	H102-F143 HydrophobicContact CB-CD2 3.94Å; H102-F143 HydrophobicContact CB-CE2 3.56Å; H102-F143 HydrophobicContact CB-CZ 3.94Å; H102-F143 AromaticContact CD2-CD1 3.62Å; H102-F143 AromaticContact CD2-CD2 3.87Å; H102-F143 AromaticContact CD2-CE1 3.79Å; H102-F143 AromaticContact CD2-CG 3.66Å; H102-F143 AromaticContact CD2-CZ 3.98Å; W107-F143 HydrophobicContact CB-CZ 4.24Å; L109-F143 HydrophobicContact CB-CD2 4.06Å; L109-F143 HydrophobicContact CB-CE1 4.4Å; L109-F143 HydrophobicContact CB-CE2 3.5Å; L109-F143 VanDerWaalsContact CB-CE2 3.5Å; L109-F143 HydrophobicContact CB-CZ 3.69Å; L109-F143 HydrophobicContact CD1-CE1 4.33Å; L109-F143 HydrophobicContact CD1-CZ 4.28Å; L109-F143 HydrophobicContact CD2-CD2 4.41Å; L109-F143 HydrophobicContact CD2-CG 4.41Å; L109-F143 HydrophobicContact CG-CZ 4.45Å; I119-F143 HydrophobicContact CD1-CE1 4.37Å; F143-V150 HydrophobicContact CD1-CG2 3.58Å; F143-V150 HydrophobicContact CE1-CG2 3.88Å; F143-I164 HydrophobicContact CD1-CD1 3.96Å; F143-I164 HydrophobicContact CE1-CD1 3.77Å
144	H	93.4	Very high	94.5	Very high	9 Å²	9	32 Å²	32	4%	0.042	17%	0.165	C	C	.	.			trans	-68.2	149.3	168.5	-175.3	-95	0	0	0	111.1	H103 S146 E147 L149 F213	H103-H144 PolarHBondContact CE1-O 3.08Å; H144-S146 VanDerWaalsContact C-N 3.29Å; H144-S146 PolarHBondContact CE1-OG 2.98Å; H144-S146 VanDerWaalsContact CE1-OG 3.28Å; H144-S146 PolarHBondContact ND1-N 3.13Å; H144-S146 PolarHBondContact O-N 2.97Å; H144-E147 WeakPolarHBondContact CB-O 3.44Å; H144-E147 IonicContact CE1-OE1 3.6Å; H144-E147 VanDerWaalsContact ND1-CB 3.34Å; H144-E147 WeakPolarHBondContact ND1-CB 3.38Å; H144-E147 PolarHBondContact ND1-N 3.03Å; H144-L149 HydrophobicContact CB-CB 3.86Å; H144-L149 WeakPolarHBondContact CB-O 3.38Å; H144-L149 PolarHBondContact N-O 2.79Å; H144-F213 HydrophobicContact CB-CD2 3.79Å; H144-F213 HydrophobicContact CB-CE2 3.55Å; H144-F213 HydrophobicContact CB-CG 4.41Å; H144-F213 HydrophobicContact CB-CZ 4.02Å; H144-F213 AromaticContact CD2-CD1 3.52Å; H144-F213 AromaticContact CD2-CD2 3.83Å; H144-F213 AromaticContact CD2-CE1 3.74Å; H144-F213 AromaticContact CD2-CG 3.54Å; H144-F213 AromaticContact CD2-CZ 3.96Å
145	P	88.8	Confident	94.6	Very high	55 Å²	55	33.8 Å²	33.8	36%	0.357	17%	0.174	S	C	.	.	S	Bend	trans	-70.6	-14.3	-173.5	-23.4	36.4	0	0	0	116.5	H103 F213	H103-P145 PolarHBondContact NE2-O 2.79Å; P145-F213 HydrophobicContact CG-CB 4.48Å
146	S	87.1	Confident	94.7	Very high	78 Å²	78	29.4 Å²	29.4	55%	0.545	15%	0.151	S	C	.	.	S	Bend	trans	-147.7	-54.6	-175.2	55.4	0	0	0	0	114.2	H144	H144-S146 VanDerWaalsContact C-N 3.29Å; H144-S146 PolarHBondContact CE1-OG 2.98Å; H144-S146 VanDerWaalsContact CE1-OG 3.28Å; H144-S146 PolarHBondContact ND1-N 3.13Å; H144-S146 PolarHBondContact O-N 2.97Å
147	E	89.2	Confident	94.7	Very high	96 Å²	96	30.4 Å²	30.4	45%	0.449	16%	0.156	S	C	.	.	S	Bend	trans	-67.8	154.9	173.7	-55.9	169.8	-154.6	0	0	113.1	H144 L149	H144-E147 WeakPolarHBondContact CB-O 3.44Å; H144-E147 IonicContact CE1-OE1 3.6Å; H144-E147 VanDerWaalsContact ND1-CB 3.34Å; H144-E147 WeakPolarHBondContact ND1-CB 3.38Å; H144-E147 PolarHBondContact ND1-N 3.03Å; E147-L149 HydrophobicContact CB-CD1 4.34Å; E147-L149 HydrophobicContact CB-CG 4.2Å; E147-L149 PolarHBondContact O-N 2.85Å; E147-L149 VanDerWaalsContact OE2-CD1 3.3Å; E147-L149 WeakPolarHBondContact OE2-CD1 3.45Å
148	D	90.9	Very high	94.6	Very high	36 Å²	36	26.8 Å²	26.8	19%	0.193	14%	0.143	C	C	.	.	S	Bend	trans	-75	55.9	176.7	-69.5	-41	0	0	0	112.5	I164 R168	D148-I164 VanDerWaalsContact C-CG1 3.49Å; D148-I164 HydrophobicContact CB-CG1 4.21Å; D148-I164 WeakPolarHBondContact O-CG1 3.17Å; D148-I164 PolarHBondContact O-N 2.97Å; D148-R168 WeakPolarHBondContact OD1-CD 3.47Å; D148-R168 WeakPolarHBondContact OD2-CD 3.45Å; D148-R168 IonicContact OD2-NE 2.69Å
149	L	93.4	Very high	94.5	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.9	-178.9	-60	178.3	0	0	0	112.5	H144 E147 V161 W162 D163 K198 F213 M234	H144-L149 HydrophobicContact CB-CB 3.86Å; H144-L149 WeakPolarHBondContact CB-O 3.38Å; H144-L149 PolarHBondContact N-O 2.79Å; E147-L149 HydrophobicContact CB-CD1 4.34Å; E147-L149 HydrophobicContact CB-CG 4.2Å; E147-L149 PolarHBondContact O-N 2.85Å; E147-L149 VanDerWaalsContact OE2-CD1 3.3Å; E147-L149 WeakPolarHBondContact OE2-CD1 3.45Å; L149-V161 HydrophobicContact CB-CG1 4.37Å; L149-V161 HydrophobicContact CD1-CG1 4.19Å; L149-V161 HydrophobicContact CD2-CG1 4.36Å; L149-W162 VanDerWaalsContact CA-O 3.31Å; L149-W162 WeakPolarHBondContact CA-O 3.13Å; L149-D163 HydrophobicContact CD2-CB 4.24Å; L149-K198 HydrophobicContact CD2-CD 3.96Å; L149-F213 HydrophobicContact CB-CZ 4.26Å; L149-M234 HydrophobicContact CD1-CE 3.62Å
150	V	95.6	Very high	94.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.9	168.4	173.5	0	0	0	0	108.9	L109 A141 Q142 F143 V161 W162 I164	L109-V150 HydrophobicContact CD1-CG1 4.27Å; L109-V150 HydrophobicContact CD1-CG2 4.33Å; L109-V150 HydrophobicContact CD2-CG1 3.85Å; L109-V150 HydrophobicContact CD2-CG2 4.44Å; A141-V150 HydrophobicContact CB-CG1 4.36Å; Q142-V150 WeakPolarHBondContact O-CA 3.39Å; F143-V150 HydrophobicContact CD1-CG2 3.58Å; F143-V150 HydrophobicContact CE1-CG2 3.88Å; V150-V161 CarbonylContact O-C 3.39Å; V150-V161 WeakPolarHBondContact O-CA 3.22Å; V150-W162 HydrophobicContact CB-CB 4.33Å; V150-W162 PolarHBondContact N-O 2.91Å; V150-W162 PolarHBondContact O-N 2.78Å; V150-I164 HydrophobicContact CG2-CD1 4.02Å; V150-I164 HydrophobicContact CG2-CG2 4.06Å
151	V	96.2	Very high	94.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.8	165.4	66.4	0	0	0	0	109.5	A141 Q142 V159 R160 A211 F213 I220	A141-V151 CarbonylContact C-O 3.6Å; A141-V151 WeakPolarHBondContact CA-O 3.38Å; Q142-V151 HydrophobicContact CB-CG1 4.13Å; Q142-V151 PolarHBondContact N-O 3.3Å; Q142-V151 PolarHBondContact O-N 2.85Å; V151-V159 HydrophobicContact CG2-CG1 3.51Å; V151-R160 CarbonylContact C-O 3.55Å; V151-R160 WeakPolarHBondContact CA-O 3.37Å; V151-A211 HydrophobicContact CG1-CB 4.39Å; V151-A211 HydrophobicContact CG2-CB 3.74Å; V151-F213 HydrophobicContact CB-CD2 4.09Å; V151-F213 HydrophobicContact CB-CE1 4.19Å; V151-F213 HydrophobicContact CB-CE2 3.5Å; V151-F213 VanDerWaalsContact CB-CE2 3.5Å; V151-F213 HydrophobicContact CB-CZ 3.57Å; V151-F213 HydrophobicContact CG1-CD2 3.6Å; V151-F213 HydrophobicContact CG1-CE2 3.49Å; V151-F213 VanDerWaalsContact CG1-CE2 3.49Å; V151-F213 HydrophobicContact CG1-CG 4.27Å; V151-F213 HydrophobicContact CG1-CZ 4.06Å; V151-I220 HydrophobicContact CG2-CD1 4.27Å; V151-I220 HydrophobicContact CG2-CG2 4.1Å
152	S	96.9	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.6	171.8	59.1	0	0	0	0	112.5	H134 C140 V159 R160 W162	H134-S152 PolarHBondContact NE2-OG 3.08Å; C140-S152 CarbonylContact O-C 3.52Å; C140-S152 VanDerWaalsContact O-CA 3.24Å; C140-S152 WeakPolarHBondContact O-CA 3.48Å; S152-V159 CarbonylContact O-C 3.55Å; S152-V159 VanDerWaalsContact O-CA 3.23Å; S152-V159 WeakPolarHBondContact O-CA 3.16Å; S152-V159 WeakPolarHBondContact O-CG1 3.42Å; S152-R160 PolarHBondContact N-O 3.16Å; S152-R160 PolarHBondContact O-N 3.26Å; S152-W162 PolarHBondContact OG-NE1 2.98Å
153	A	96.9	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.5	174.2	0	0	0	0	0	109.4	V138 M139 C140 V159 V208 A211	V138-A153 CarbonylContact C-O 3.58Å; V138-A153 WeakPolarHBondContact CG1-O 3.43Å; M139-A153 PolarHBondContact N-O 3.45Å; C140-A153 HydrophobicContact CB-CB 4.31Å; C140-A153 PolarHBondContact N-O 2.88Å; C140-A153 PolarHBondContact O-N 3.49Å; A153-V159 HydrophobicContact CB-CG2 4.36Å; A153-V208 HydrophobicContact CB-CB 3.99Å; A153-V208 HydrophobicContact CB-CG1 3.75Å; A153-A211 HydrophobicContact CB-CB 3.88Å
154	S	97.3	Very high	93.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	158.9	179.5	172	0	0	0	0	111.6	H134 H136 Y137 D156 Q157 T158 V208	H134-S154 VanDerWaalsContact CE1-CB 3.48Å; H134-S154 WeakPolarHBondContact CE1-CB 3.26Å; H134-S154 WeakPolarHBondContact ND1-CB 3.43Å; H136-S154 PolarHBondContact O-OG 2.93Å; Y137-S154 WeakPolarHBondContact O-CA 3.46Å; Y137-S154 PolarHBondContact O-OG 3.48Å; Y137-S154 VanDerWaalsContact O-OG 3.09Å; S154-D156 WeakPolarHBondContact CB-OD1 3.44Å; S154-D156 PolarHBondContact O-N 2.87Å; S154-D156 PolarHBondContact OG-N 3.37Å; S154-D156 VanDerWaalsContact OG-N 3.07Å; S154-Q157 PolarHBondContact O-N 3.39Å; S154-T158 PolarHBondContact N-O 3.17Å; S154-V208 CarbonylContact C-O 3.52Å; S154-V208 PolarHBondContact O-N 3.31Å
155	L	96.3	Very high	93.6	Very high	42 Å²	42	26.8 Å²	26.8	22%	0.22	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-5.8	168.3	-60.5	-176.2	0	0	0	113.3	H136 Y137 M139 Q157	H136-L155 HydrophobicContact CB-CB 4.19Å; Y137-L155 HydrophobicContact CD2-CD1 3.83Å; Y137-L155 HydrophobicContact CG-CD1 4.42Å; Y137-L155 PolarHBondContact O-N 3.35Å; Y137-L155 VanDerWaalsContact O-N 3.09Å; M139-L155 HydrophobicContact CE-CD2 4.45Å; M139-L155 HydrophobicContact CG-CD1 4.39Å; M139-L155 HydrophobicContact CG-CD2 3.73Å; M139-L155 HydrophobicContact CG-CG 3.68Å; M139-L155 HydrophobicContact SD-CD1 4.16Å; M139-L155 HydrophobicContact SD-CD2 4.33Å; M139-L155 HydrophobicContact SD-CG 4.12Å; L155-Q157 PolarHBondContact O-N 3.14Å
156	D	94.8	Very high	93.3	Very high	31 Å²	31	25.5 Å²	25.5	17%	0.166	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	10.1	168.7	77.1	5.5	0	0	0	114.3	H134 N135 H136 S154 T158 R160	H134-D156 WeakPolarHBondContact CA-OD2 3.49Å; H134-D156 IonicContact CE1-OD1 3.98Å; H134-D156 IonicContact CE1-OD2 3.62Å; H134-D156 IonicContact CG-OD2 2.76Å; H134-D156 IonicContact ND1-OD1 3.67Å; H134-D156 PolarHBondContact ND1-OD1 3.28Å; H134-D156 IonicContact ND1-OD2 2.69Å; H134-D156 PolarHBondContact ND1-OD2 2.75Å; N135-D156 HydrophobicContact CB-CB 4.21Å; N135-D156 PolarHBondContact N-OD2 3Å; H136-D156 HydrophobicContact CB-CB 3.96Å; S154-D156 WeakPolarHBondContact CB-OD1 3.44Å; S154-D156 PolarHBondContact O-N 2.87Å; S154-D156 PolarHBondContact OG-N 3.37Å; S154-D156 VanDerWaalsContact OG-N 3.07Å; D156-T158 PolarHBondContact O-N 3.43Å; D156-T158 WeakPolarHBondContact OD1-CB 3.33Å; D156-T158 PolarHBondContact OD1-N 3.38Å; D156-T158 PolarHBondContact OD1-OG1 3.45Å; D156-T158 PolarHBondContact OD2-OG1 2.91Å; D156-R160 IonicContact OD2-NH2 3.48Å; D156-R160 PolarHBondContact OD2-NH2 3.36Å
157	Q	95.4	Very high	93.1	Very high	96 Å²	96	21.8 Å²	21.8	45%	0.449	12%	0.117	S	C	.	.	S	Bend	trans	71.8	-1.5	178.9	-43.8	177.3	11.6	0	0	114.2	S154 L155	S154-Q157 PolarHBondContact O-N 3.39Å; L155-Q157 PolarHBondContact O-N 3.14Å
158	T	95.3	Very high	92.6	Very high	12 Å²	12	21.5 Å²	21.5	7%	0.074	11%	0.111	C	C	.	.			trans	-100.3	148.4	-179.6	76.8	0	0	0	0	112.9	H134 S154 D156 R160 V200 L201 E202	H134-T158 PolarHBondContact CE1-OG1 3.25Å; H134-T158 PolarHBondContact ND1-OG1 3.37Å; S154-T158 PolarHBondContact N-O 3.17Å; D156-T158 PolarHBondContact O-N 3.43Å; D156-T158 WeakPolarHBondContact OD1-CB 3.33Å; D156-T158 PolarHBondContact OD1-N 3.38Å; D156-T158 PolarHBondContact OD1-OG1 3.45Å; D156-T158 PolarHBondContact OD2-OG1 2.91Å; T158-R160 PolarHBondContact OG1-NE 3.04Å; T158-V200 HydrophobicContact CG2-CG1 4.16Å; T158-L201 WeakPolarHBondContact CA-O 3.37Å; T158-E202 HydrophobicContact CG2-CG 4.08Å
159	V	96.3	Very high	92	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.7	158.6	175.8	0	0	0	0	107.5	V151 S152 A153 L201 V208 A211 I220	V151-V159 HydrophobicContact CG2-CG1 3.51Å; S152-V159 CarbonylContact O-C 3.55Å; S152-V159 VanDerWaalsContact O-CA 3.23Å; S152-V159 WeakPolarHBondContact O-CA 3.16Å; S152-V159 WeakPolarHBondContact O-CG1 3.42Å; A153-V159 HydrophobicContact CB-CG2 4.36Å; V159-L201 HydrophobicContact CB-CB 4.06Å; V159-L201 HydrophobicContact CB-CD1 4.21Å; V159-L201 HydrophobicContact CG1-CD1 4.04Å; V159-L201 PolarHBondContact N-O 3.32Å; V159-L201 WeakPolarHBondContact O-CA 3.41Å; V159-L201 VanDerWaalsContact O-CB 3.29Å; V159-L201 WeakPolarHBondContact O-CB 3.45Å; V159-L201 PolarHBondContact O-N 3.24Å; V159-V208 HydrophobicContact CG2-CB 4.3Å; V159-V208 HydrophobicContact CG2-CG1 3.79Å; V159-V208 HydrophobicContact CG2-CG2 4.23Å; V159-A211 HydrophobicContact CG1-CB 3.87Å; V159-A211 HydrophobicContact CG2-CB 4.3Å; V159-I220 HydrophobicContact CG1-CG2 4.49Å
160	R	95.8	Very high	90.9	Very high	30 Å²	30	31.7 Å²	31.7	11%	0.113	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143	-179.4	-63.2	-173.1	-169	-168.8	15.4	111.3	G133 V151 S152 D156 T158 W162 H199 V200	G133-R160 PolarHBondContact O-NH1 2.95Å; G133-R160 PolarHBondContact O-NH2 2.86Å; V151-R160 CarbonylContact C-O 3.55Å; V151-R160 WeakPolarHBondContact CA-O 3.37Å; S152-R160 PolarHBondContact N-O 3.16Å; S152-R160 PolarHBondContact O-N 3.26Å; D156-R160 IonicContact OD2-NH2 3.48Å; D156-R160 PolarHBondContact OD2-NH2 3.36Å; T158-R160 PolarHBondContact OG1-NE 3.04Å; R160-W162 HydrophobicContact CB-CZ2 4.33Å; R160-H199 WeakPolarHBondContact CA-O 3.38Å; R160-V200 HydrophobicContact CG-CG1 4.29Å; R160-V200 HydrophobicContact CG-CG2 4.32Å
161	V	95.3	Very high	89.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.2	171.2	-176.5	0	0	0	0	107.7	L149 V150 K198 H199 F213 I220	L149-V161 HydrophobicContact CB-CG1 4.37Å; L149-V161 HydrophobicContact CD1-CG1 4.19Å; L149-V161 HydrophobicContact CD2-CG1 4.36Å; V150-V161 CarbonylContact O-C 3.39Å; V150-V161 WeakPolarHBondContact O-CA 3.22Å; V161-K198 WeakPolarHBondContact O-CA 3.44Å; V161-K198 WeakPolarHBondContact O-CB 3.38Å; V161-K198 PolarHBondContact O-N 3.29Å; V161-H199 HydrophobicContact CB-CB 4.18Å; V161-H199 HydrophobicContact CG2-CB 4.41Å; V161-H199 PolarHBondContact N-O 3.14Å; V161-H199 PolarHBondContact O-N 2.99Å; V161-H199 VanDerWaalsContact O-N 3.15Å; V161-F213 HydrophobicContact CG1-CZ 4.43Å; V161-I220 HydrophobicContact CG2-CD1 3.61Å
162	W	94.3	Very high	87.7	Confident	7 Å²	7	40.8 Å²	40.8	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.6	-178.3	-49.4	76.9	0	0	0	109.5	I117 L131 T132 L149 V150 S152 R160 V196 V197	I117-W162 HydrophobicContact CD1-CZ2 4.21Å; L131-W162 HydrophobicContact CB-CD2 4.36Å; L131-W162 HydrophobicContact CB-CE3 4.02Å; L131-W162 HydrophobicContact CB-CH2 4.24Å; L131-W162 HydrophobicContact CB-CZ3 3.94Å; L131-W162 HydrophobicContact CD2-CB 3.87Å; L131-W162 HydrophobicContact CD2-CD2 3.67Å; L131-W162 HydrophobicContact CD2-CE3 3.41Å; L131-W162 VanDerWaalsContact CD2-CE3 3.41Å; L131-W162 HydrophobicContact CD2-CG 3.88Å; L131-W162 HydrophobicContact CD2-CZ3 4.15Å; L131-W162 HydrophobicContact CG-CE3 4.35Å; T132-W162 WeakPolarHBondContact O-CH2 3.34Å; L149-W162 VanDerWaalsContact CA-O 3.31Å; L149-W162 WeakPolarHBondContact CA-O 3.13Å; V150-W162 HydrophobicContact CB-CB 4.33Å; V150-W162 PolarHBondContact N-O 2.91Å; V150-W162 PolarHBondContact O-N 2.78Å; S152-W162 PolarHBondContact OG-NE1 2.98Å; R160-W162 HydrophobicContact CB-CZ2 4.33Å; W162-V196 CarbonylContact C-O 3.5Å; W162-V196 VanDerWaalsContact CA-O 3.28Å; W162-V196 WeakPolarHBondContact CA-O 3.27Å; W162-V197 HydrophobicContact CD2-CG2 4.09Å; W162-V197 HydrophobicContact CE3-CB 4.4Å; W162-V197 HydrophobicContact CE3-CG2 3.49Å; W162-V197 VanDerWaalsContact CE3-CG2 3.49Å; W162-V197 HydrophobicContact CH2-CG2 3.61Å; W162-V197 HydrophobicContact CZ2-CG2 4.17Å; W162-V197 HydrophobicContact CZ3-CG2 3.24Å
163	D	91.6	Very high	85.4	Confident	42 Å²	42	43.5 Å²	43.5	23%	0.225	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123	170.5	-161.2	-52.8	0	0	0	109.2	L149 S165 A195 V196 K198	L149-D163 HydrophobicContact CD2-CB 4.24Å; D163-S165 WeakPolarHBondContact OD1-CB 3.39Å; D163-S165 PolarHBondContact OD1-N 3.33Å; D163-S165 PolarHBondContact OD1-OG 3.16Å; D163-A195 VanDerWaalsContact O-CA 3.26Å; D163-A195 WeakPolarHBondContact O-CA 3.47Å; D163-A195 WeakPolarHBondContact O-CB 3.19Å; D163-V196 PolarHBondContact N-O 2.87Å; D163-V196 PolarHBondContact O-N 3.12Å; D163-V196 VanDerWaalsContact O-N 3.09Å; D163-K198 HydrophobicContact CB-CB 4.41Å; D163-K198 HydrophobicContact CB-CD 4.42Å; D163-K198 IonicContact OD2-NZ 3.35Å
164	I	90.7	Very high	83	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.261	C	S	.	.			trans	-114.3	15	-179.8	61.7	163.6	0	0	0	112.1	W107 I119 F143 D148 V150 G166 L167 R168 A195	W107-I164 HydrophobicContact CZ3-CD1 3.99Å; I119-I164 HydrophobicContact CD1-CD1 4.43Å; I119-I164 HydrophobicContact CD1-CG2 3.94Å; F143-I164 HydrophobicContact CD1-CD1 3.96Å; F143-I164 HydrophobicContact CE1-CD1 3.77Å; D148-I164 VanDerWaalsContact C-CG1 3.49Å; D148-I164 HydrophobicContact CB-CG1 4.21Å; D148-I164 WeakPolarHBondContact O-CG1 3.17Å; D148-I164 PolarHBondContact O-N 2.97Å; V150-I164 HydrophobicContact CG2-CD1 4.02Å; V150-I164 HydrophobicContact CG2-CG2 4.06Å; I164-G166 PolarHBondContact O-N 2.96Å; I164-L167 HydrophobicContact CB-CD1 4.04Å; I164-L167 HydrophobicContact CG2-CD1 4.22Å; I164-L167 WeakPolarHBondContact O-CB 3.33Å; I164-L167 PolarHBondContact O-N 2.96Å; I164-R168 PolarHBondContact O-N 3.06Å; I164-A195 HydrophobicContact CG2-CB 3.96Å
165	S	86.8	Confident	80.6	Confident	30 Å²	30	53.4 Å²	53.4	21%	0.21	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-22.8	178.1	65.5	0	0	0	0	113.1	D163 R168 K169	D163-S165 WeakPolarHBondContact OD1-CB 3.39Å; D163-S165 PolarHBondContact OD1-N 3.33Å; D163-S165 PolarHBondContact OD1-OG 3.16Å; S165-R168 PolarHBondContact O-N 3.38Å; S165-K169 WeakPolarHBondContact O-CG 3.35Å; S165-K169 PolarHBondContact O-N 2.95Å
166	G	82.9	Confident	77.9	Confident	27 Å²	27	54.8 Å²	54.8	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-54.1	171.9	0	0	0	0	0	112.7	I164 R168 K169 K170	I164-G166 PolarHBondContact O-N 2.96Å; G166-R168 VanDerWaalsContact C-N 3.26Å; G166-R168 PolarHBondContact O-N 3.5Å; G166-K169 PolarHBondContact O-N 2.73Å; G166-K170 WeakPolarHBondContact O-CB 3.29Å; G166-K170 PolarHBondContact O-N 3.04Å
167	L	82.9	Confident	75.7	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-50.6	-43.8	171.8	-86	123.2	0	0	0	113.1	W107 I119 V128 C129 I164 N171 D194 A195	W107-L167 HydrophobicContact CH2-CB 3.75Å; W107-L167 HydrophobicContact CZ2-CB 3.91Å; W107-L167 HydrophobicContact CZ2-CD2 4.23Å; I119-L167 HydrophobicContact CD1-CD1 4.08Å; I119-L167 HydrophobicContact CG2-CD2 4.42Å; V128-L167 HydrophobicContact CB-CD2 4.01Å; V128-L167 HydrophobicContact CG1-CD2 3.52Å; C129-L167 HydrophobicContact CB-CD1 3.74Å; C129-L167 HydrophobicContact CB-CD2 3.78Å; C129-L167 HydrophobicContact CB-CG 4.14Å; I164-L167 HydrophobicContact CB-CD1 4.04Å; I164-L167 HydrophobicContact CG2-CD1 4.22Å; I164-L167 WeakPolarHBondContact O-CB 3.33Å; I164-L167 PolarHBondContact O-N 2.96Å; L167-N171 PolarHBondContact O-N 2.98Å; L167-N171 VanDerWaalsContact O-N 3.12Å; L167-D194 HydrophobicContact CD1-CB 4.41Å; L167-D194 WeakPolarHBondContact CD1-O 3.43Å; L167-D194 HydrophobicContact CG-CB 4.23Å; L167-D194 PolarHBondContact N-O 3.12Å; L167-D194 VanDerWaalsContact N-O 3.09Å; L167-A195 HydrophobicContact CD1-CB 4.04Å
168	R	78.7	Confident	73.4	Confident	90 Å²	90	64 Å²	64	34%	0.34	37%	0.368	S	S	.	.	H	α-helix	trans	-65.3	-47.1	-178.4	-176	-177.4	174.9	-98.8	-3	111.3	Y105 W107 D148 I164 S165 G166 K170 N171 L172	Y105-R168 HydrophobicContact CE1-CG 4.42Å; Y105-R168 HydrophobicContact CE2-CG 4.32Å; Y105-R168 PolarHBondContact OH-NE 2.81Å; W107-R168 HydrophobicContact CH2-CB 4.28Å; D148-R168 WeakPolarHBondContact OD1-CD 3.47Å; D148-R168 WeakPolarHBondContact OD2-CD 3.45Å; D148-R168 IonicContact OD2-NE 2.69Å; I164-R168 PolarHBondContact O-N 3.06Å; S165-R168 PolarHBondContact O-N 3.38Å; G166-R168 VanDerWaalsContact C-N 3.26Å; G166-R168 PolarHBondContact O-N 3.5Å; R168-K170 PolarHBondContact O-N 2.83Å; R168-N171 PolarHBondContact O-N 3.25Å; R168-L172 HydrophobicContact CG-CD1 3.89Å; R168-L172 WeakPolarHBondContact O-CG 3.33Å; R168-L172 PolarHBondContact O-N 3.24Å; R168-L172 VanDerWaalsContact O-N 3.16Å
169	K	77.9	Confident	71.1	Confident	135 Å²	135	69.8 Å²	69.8	59%	0.587	40%	0.404	S	S	*	.	H	α-helix	trans	-58.6	-48	177.2	-70.6	166.5	-176.6	171.1	0	110.9	S165 G166 N171 L172 S173	S165-K169 WeakPolarHBondContact O-CG 3.35Å; S165-K169 PolarHBondContact O-N 2.95Å; G166-K169 PolarHBondContact O-N 2.73Å; K169-N171 VanDerWaalsContact C-N 3.31Å; K169-N171 PolarHBondContact O-N 3.25Å; K169-L172 PolarHBondContact O-N 3.46Å; K169-L172 VanDerWaalsContact O-N 3.1Å; K169-S173 PolarHBondContact O-N 3.27Å; K169-S173 PolarHBondContact O-OG 3.18Å
170	K	71.9	Confident	68.4	Low	120 Å²	120	77 Å²	77	52%	0.522	44%	0.443	S	S	.	.	H	α-helix	trans	-57.2	-38.6	178.3	-166.8	172.5	-172.7	170.4	0	113.4	G166 R168 D194	G166-K170 WeakPolarHBondContact O-CB 3.29Å; G166-K170 PolarHBondContact O-N 3.04Å; R168-K170 PolarHBondContact O-N 2.83Å; K170-D194 WeakPolarHBondContact CD-OD1 3.48Å; K170-D194 IonicContact NZ-OD1 3.91Å; K170-D194 PolarHBondContact NZ-OD1 2.91Å; K170-D194 IonicContact NZ-OD2 3.59Å; K170-D194 PolarHBondContact NZ-OD2 3.41Å
171	N	65	Low	65.8	Low	81 Å²	81	82.4 Å²	82.4	43%	0.433	48%	0.478	S	S	.	.	H	α-helix	trans	-80	-18.5	177.9	-79.1	-15.6	0	0	0	114.7	W107 L167 R168 K169	W107-N171 VanDerWaalsContact CZ2-ND2 3.35Å; W107-N171 WeakPolarHBondContact CZ2-ND2 3.5Å; W107-N171 PolarHBondContact NE1-ND2 3.06Å; L167-N171 PolarHBondContact O-N 2.98Å; L167-N171 VanDerWaalsContact O-N 3.12Å; R168-N171 PolarHBondContact O-N 3.25Å; K169-N171 VanDerWaalsContact C-N 3.31Å; K169-N171 PolarHBondContact O-N 3.25Å
172	L	57.8	Low	63.1	Low	110 Å²	110	94.4 Å²	94.4	58%	0.576	52%	0.523	S	S	*	.	H	α-helix	trans	-88.5	-20.8	179.5	-74.3	169	0	0	0	113.4	R168 K169	R168-L172 HydrophobicContact CG-CD1 3.89Å; R168-L172 WeakPolarHBondContact O-CG 3.33Å; R168-L172 PolarHBondContact O-N 3.24Å; R168-L172 VanDerWaalsContact O-N 3.16Å; K169-L172 PolarHBondContact O-N 3.46Å; K169-L172 VanDerWaalsContact O-N 3.1Å
173	S	50.1	Low	60.5	Low	57 Å²	57	97.2 Å²	97.2	40%	0.399	56%	0.555	S	S	.	*			trans	-136	75.3	-177.9	59	0	0	0	0	112.7	K169 G175	K169-S173 PolarHBondContact O-N 3.27Å; K169-S173 PolarHBondContact O-OG 3.18Å; S173-G175 PolarHBondContact O-N 3.45Å
174	P	46.5	Very low	58	Low	130 Å²	130	102.8 Å²	102.8	84%	0.844	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	35.8	-177.9	33.8	-38.1	0	0	0	114.1
175	G	46.3	Very low	55.3	Low	78 Å²	78	110.1 Å²	110.1	80%	0.804	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.4	9.4	-175.8	0	0	0	0	0	116.3	S173	S173-G175 PolarHBondContact O-N 3.45Å
176	A	39.5	Very low	52.9	Low	71 Å²	71	111.7 Å²	111.7	59%	0.587	65%	0.649	S	S	*	*			trans	-119.4	73.6	178.7	0	0	0	0	0	110.7
177	V	49.1	Very low	50.6	Low	143 Å²	143	117 Å²	117	87%	0.867	68%	0.675	S	S	*	*			trans	-124.9	59.7	166.8	-167.5	0	0	0	0	108.9
178	E	47.6	Very low	48.3	Very low	178 Å²	178	123.3 Å²	123.3	83%	0.832	71%	0.709	S	S	*	*	S	Bend	trans	-156.8	146.6	157.2	-115.2	170.3	-153.5	0	0	108.5
179	T	45.2	Very low	46.4	Very low	134 Å²	134	126.5 Å²	126.5	82%	0.822	73%	0.732	S	S	*	*	S	Bend	trans	55.2	80.6	-179	49	0	0	0	0	117.4
180	D	40.3	Very low	44.6	Very low	153 Å²	153	128.3 Å²	128.3	82%	0.818	74%	0.74	S	S	*	*				-174.3	93.6	103.8	-109.5	-15	0	0	0	113
181	V	42	Very low	43.1	Very low	142 Å²	142	126 Å²	126	86%	0.861	75%	0.751	S	S	*	*			trans	-139.7	79.8	162.4	-172.1	0	0	0	0	109
182	R	37.8	Very low	42.3	Very low	252 Å²	252	126.9 Å²	126.9	95%	0.951	77%	0.769	S	S	*	*			trans	-109.8	94.6	161.9	-83.6	-168.9	174.8	-167.8	1	109.4
183	G	40.8	Very low	42.5	Very low	66 Å²	66	125.5 Å²	125.5	68%	0.68	77%	0.769	S	S	*	*	S	Bend	trans	138.2	64	168	0	0	0	0	0	116
184	I	38	Very low	43.5	Very low	160 Å²	160	124.8 Å²	124.8	82%	0.821	76%	0.76	S	S	*	*			trans	-160.1	125.9	139.2	-92.4	139.1	0	0	0	106.2	G186	I184-G186 PolarHBondContact O-N 2.91Å
185	T	34.2	Very low	45.2	Very low	155 Å²	155	119.5 Å²	119.5	95%	0.951	73%	0.728	S	S	*	*			trans	-86.8	102.2	179.9	46.8	0	0	0	0	110.3
186	G	35.8	Very low	47.2	Very low	63 Å²	63	119.4 Å²	119.4	65%	0.649	71%	0.711	S	S	*	*			trans	-178.2	109.8	173.7	0	0	0	0	0	108.8	I184 D188	I184-G186 PolarHBondContact O-N 2.91Å; G186-D188 PolarHBondContact O-N 2.68Å; G186-D188 VanDerWaalsContact O-N 3.15Å
187	V	36	Very low	49.6	Very low	137 Å²	137	118.4 Å²	118.4	83%	0.83	70%	0.698	S	S	*	*			trans	-76.7	101.5	-179	-177.6	0	0	0	0	108.2	L189	V187-L189 HydrophobicContact CG1-CD1 4.2Å
188	D	34.2	Very low	51.6	Low	135 Å²	135	115.1 Å²	115.1	72%	0.722	67%	0.672	S	S	*	*			trans	-89.2	110	169.7	-150.4	-15.7	0	0	0	109.1	G186 F190	G186-D188 PolarHBondContact O-N 2.68Å; G186-D188 VanDerWaalsContact O-N 3.15Å; D188-F190 PolarHBondContact O-N 3.11Å
189	L	38.2	Very low	53.7	Low	156 Å²	156	107.8 Å²	107.8	82%	0.817	64%	0.638	S	S	*	*			trans	-83.1	6.2	-173.2	-149	74.3	0	0	0	112.4	V187	V187-L189 HydrophobicContact CG1-CD1 4.2Å
190	F	40.1	Very low	56	Low	174 Å²	174	104.6 Å²	104.6	76%	0.763	62%	0.618	S	S	*	*	S	Bend	trans	-113.5	130.9	171.9	-70.4	-89.9	0	0	0	109.1	D188	D188-F190 PolarHBondContact O-N 3.11Å
191	G	40.9	Very low	58.5	Low	72 Å²	72	97.5 Å²	97.5	74%	0.742	58%	0.58	S	S	*	*			trans	-60.7	152.1	-174.8	0	0	0	0	0	113.2	S193	G191-S193 PolarHBondContact O-N 2.92Å; G191-S193 VanDerWaalsContact O-N 3.1Å
192	A	48.5	Very low	60.8	Low	99 Å²	99	97.7 Å²	97.7	82%	0.818	57%	0.571	S	S	*	*			trans	-43.7	116.7	-177.7	0	0	0	0	0	112.1	D194	A192-D194 PolarHBondContact O-N 3.04Å
193	S	60.7	Low	63.2	Low	81 Å²	81	87.4 Å²	87.4	57%	0.566	54%	0.544	S	S	*	.			trans	-68.1	116.1	-176.3	36.3	0	0	0	0	110.5	G191 A195 V196	G191-S193 PolarHBondContact O-N 2.92Å; G191-S193 VanDerWaalsContact O-N 3.1Å; S193-A195 PolarHBondContact O-N 3.01Å; S193-V196 VanDerWaalsContact OG-CG2 3.3Å; S193-V196 WeakPolarHBondContact OG-CG2 3.33Å
194	D	72.2	Confident	65.7	Low	41 Å²	41	84.7 Å²	84.7	22%	0.219	51%	0.513	C	S	.	.	S	Bend	trans	-58.4	-24.6	-176.2	-79.4	-25.6	0	0	0	113.1	L167 K170 A192	L167-D194 HydrophobicContact CD1-CB 4.41Å; L167-D194 WeakPolarHBondContact CD1-O 3.43Å; L167-D194 HydrophobicContact CG-CB 4.23Å; L167-D194 PolarHBondContact N-O 3.12Å; L167-D194 VanDerWaalsContact N-O 3.09Å; K170-D194 WeakPolarHBondContact CD-OD1 3.48Å; K170-D194 IonicContact NZ-OD1 3.91Å; K170-D194 PolarHBondContact NZ-OD1 2.91Å; K170-D194 IonicContact NZ-OD2 3.59Å; K170-D194 PolarHBondContact NZ-OD2 3.41Å; A192-D194 PolarHBondContact O-N 3.04Å
195	A	82.1	Confident	68.3	Low	20 Å²	20	82.6 Å²	82.6	17%	0.165	50%	0.504	C	S	.	.	S	Bend	trans	-147.1	150.7	169.6	0	0	0	0	0	111.7	L131 D163 I164 L167 S193	L131-A195 HydrophobicContact CD2-CB 3.43Å; L131-A195 VanDerWaalsContact CD2-CB 3.43Å; L131-A195 HydrophobicContact CG-CB 4.36Å; D163-A195 VanDerWaalsContact O-CA 3.26Å; D163-A195 WeakPolarHBondContact O-CA 3.47Å; D163-A195 WeakPolarHBondContact O-CB 3.19Å; I164-A195 HydrophobicContact CG2-CB 3.96Å; L167-A195 HydrophobicContact CD1-CB 4.04Å; S193-A195 PolarHBondContact O-N 3.01Å
196	V	88.6	Confident	71.2	Confident	75 Å²	75	81.9 Å²	81.9	46%	0.455	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145	-174.1	-178.5	0	0	0	0	111.3	W162 D163 S193 K198	W162-V196 CarbonylContact C-O 3.5Å; W162-V196 VanDerWaalsContact CA-O 3.28Å; W162-V196 WeakPolarHBondContact CA-O 3.27Å; D163-V196 PolarHBondContact N-O 2.87Å; D163-V196 PolarHBondContact O-N 3.12Å; D163-V196 VanDerWaalsContact O-N 3.09Å; S193-V196 VanDerWaalsContact OG-CG2 3.3Å; S193-V196 WeakPolarHBondContact OG-CG2 3.33Å; V196-K198 PolarHBondContact O-N 3.28Å
197	V	89.6	Confident	74	Confident	50 Å²	50	79.3 Å²	79.3	30%	0.303	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	114	169.3	-177.6	0	0	0	0	109.2	W162 V200	W162-V197 HydrophobicContact CD2-CG2 4.09Å; W162-V197 HydrophobicContact CE3-CB 4.4Å; W162-V197 HydrophobicContact CE3-CG2 3.49Å; W162-V197 VanDerWaalsContact CE3-CG2 3.49Å; W162-V197 HydrophobicContact CH2-CG2 3.61Å; W162-V197 HydrophobicContact CZ2-CG2 4.17Å; W162-V197 HydrophobicContact CZ3-CG2 3.24Å; V197-V200 HydrophobicContact CG1-CG2 3.66Å
198	K	90	Very high	76.9	Confident	75 Å²	75	72.8 Å²	72.8	33%	0.326	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-46.4	178	-168.7	172.6	-173.7	158.7	0	112	L149 V161 D163 V196	L149-K198 HydrophobicContact CD2-CD 3.96Å; V161-K198 WeakPolarHBondContact O-CA 3.44Å; V161-K198 WeakPolarHBondContact O-CB 3.38Å; V161-K198 PolarHBondContact O-N 3.29Å; D163-K198 HydrophobicContact CB-CB 4.41Å; D163-K198 HydrophobicContact CB-CD 4.42Å; D163-K198 IonicContact OD2-NZ 3.35Å; V196-K198 PolarHBondContact O-N 3.28Å
199	H	92.8	Very high	79.9	Confident	24 Å²	24	67.2 Å²	67.2	11%	0.111	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.9	178.9	-58.7	-53.9	0	0	0	111	R160 V161 N235 E236 S237 K238 A239	R160-H199 WeakPolarHBondContact CA-O 3.38Å; V161-H199 HydrophobicContact CB-CB 4.18Å; V161-H199 HydrophobicContact CG2-CB 4.41Å; V161-H199 PolarHBondContact N-O 3.14Å; V161-H199 PolarHBondContact O-N 2.99Å; V161-H199 VanDerWaalsContact O-N 3.15Å; H199-N235 PolarHBondContact NE2-O 2.8Å; H199-E236 PolarHBondContact CE1-O 2.74Å; H199-E236 PolarHBondContact NE2-O 3.27Å; H199-S237 WeakPolarHBondContact CE1-CA 3.27Å; H199-S237 PolarHBondContact CE1-N 3.03Å; H199-S237 PolarHBondContact CE1-O 3.01Å; H199-K238 WeakPolarHBondContact CE1-CA 3.49Å; H199-K238 PolarHBondContact CE1-N 3.37Å; H199-A239 HydrophobicContact CB-CB 4.14Å
200	V	93.1	Very high	82.7	Confident	66 Å²	66	61.3 Å²	61.3	40%	0.4	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.9	166.3	-173.7	0	0	0	0	107.7	T158 R160 V197 E202	T158-V200 HydrophobicContact CG2-CG1 4.16Å; R160-V200 HydrophobicContact CG-CG1 4.29Å; R160-V200 HydrophobicContact CG-CG2 4.32Å; V197-V200 HydrophobicContact CG1-CG2 3.66Å; V200-E202 HydrophobicContact CG1-CG 4.08Å
201	L	93.5	Very high	85.4	Confident	5 Å²	5	53 Å²	53	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.4	-179.8	-64.3	173.3	0	0	0	108.8	T158 V159 I220 W232 A239	T158-L201 WeakPolarHBondContact CA-O 3.37Å; V159-L201 HydrophobicContact CB-CB 4.06Å; V159-L201 HydrophobicContact CB-CD1 4.21Å; V159-L201 HydrophobicContact CG1-CD1 4.04Å; V159-L201 PolarHBondContact N-O 3.32Å; V159-L201 WeakPolarHBondContact O-CA 3.41Å; V159-L201 VanDerWaalsContact O-CB 3.29Å; V159-L201 WeakPolarHBondContact O-CB 3.45Å; V159-L201 PolarHBondContact O-N 3.24Å; L201-I220 HydrophobicContact CD1-CD1 4.09Å; L201-W232 HydrophobicContact CB-CD2 4.26Å; L201-W232 HydrophobicContact CB-CE3 4.04Å; L201-W232 HydrophobicContact CB-CH2 4.27Å; L201-W232 HydrophobicContact CB-CZ2 4.48Å; L201-W232 HydrophobicContact CB-CZ3 4.04Å; L201-W232 HydrophobicContact CD1-CB 4.02Å; L201-W232 HydrophobicContact CD1-CD2 3.88Å; L201-W232 HydrophobicContact CD1-CE3 4.18Å; L201-W232 HydrophobicContact CD1-CG 3.79Å; L201-W232 HydrophobicContact CD2-CD2 4.19Å; L201-W232 HydrophobicContact CD2-CE3 3.62Å; L201-W232 HydrophobicContact CD2-CZ3 4.13Å; L201-W232 HydrophobicContact CG-CD2 4.35Å; L201-W232 HydrophobicContact CG-CE3 4.17Å; L201-A239 HydrophobicContact CD2-CB 3.5Å; L201-A239 VanDerWaalsContact CD2-CB 3.5Å; L201-A239 HydrophobicContact CG-CB 4.4Å
202	E	90.4	Very high	87.9	Confident	146 Å²	146	49.9 Å²	49.9	68%	0.682	29%	0.285	S	S	*	.			trans	-113.8	139.7	178.2	-62.7	178.3	176	0	0	108.8	T158 V200	T158-E202 HydrophobicContact CG2-CG 4.08Å; V200-E202 HydrophobicContact CG1-CG 4.08Å
203	G	87.2	Confident	90.1	Very high	36 Å²	36	45.8 Å²	45.8	37%	0.371	25%	0.249	S	C	.	.			trans	150.9	-4.3	-179.6	0	0	0	0	0	116.1	K230	G203-K230 WeakPolarHBondContact O-CE 3.24Å; G203-K230 PolarHBondContact O-NZ 3.18Å
204	H	94.1	Very high	91.6	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.037	23%	0.225	C	C	.	.			trans	-83.6	140.2	162.6	-83.1	-66.6	0	0	0	110.2	R206 V208 S222 A224 D226	H204-R206 VanDerWaalsContact C-N 3.27Å; H204-R206 PolarHBondContact O-N 2.99Å; H204-V208 HydrophobicContact CB-CG2 4.01Å; H204-S222 PolarHBondContact NE2-OG 2.61Å; H204-A224 HydrophobicContact CB-CB 4.27Å; H204-A224 WeakPolarHBondContact ND1-CB 3.49Å; H204-D226 IonicContact CE1-OD1 2.71Å; H204-D226 IonicContact CE1-OD2 3.18Å; H204-D226 IonicContact CG-OD2 3.67Å; H204-D226 IonicContact ND1-OD1 3.25Å; H204-D226 PolarHBondContact ND1-OD1 3.49Å; H204-D226 IonicContact ND1-OD2 2.71Å; H204-D226 PolarHBondContact ND1-OD2 2.93Å
205	D	92.3	Very high	92.3	Very high	117 Å²	117	43.1 Å²	43.1	63%	0.626	23%	0.231	S	C	*	.	S	Bend	trans	-83	-4.2	-178	-57.3	-50.8	0	0	0	113.2	D226	D205-D226 HydrophobicContact CB-CB 4.2Å; D205-D226 PolarHBondContact N-OD2 3.15Å
206	R	95	Very high	92.4	Very high	139 Å²	139	48 Å²	48	53%	0.525	26%	0.259	S	S	.	.	S	Bend	trans	-152	170.4	-175.9	-64.6	-172	170.5	-154.9	-7.3	110.5	H204 D225 D226	H204-R206 VanDerWaalsContact C-N 3.27Å; H204-R206 PolarHBondContact O-N 2.99Å; R206-D225 HydrophobicContact CB-CB 3.8Å; R206-D225 WeakPolarHBondContact CD-O 3.39Å; R206-D226 HydrophobicContact CB-CB 4.2Å; R206-D226 HydrophobicContact CG-CB 4.31Å
207	G	94	Very high	92.4	Very high	10 Å²	10	47.6 Å²	47.6	10%	0.103	25%	0.253	C	S	.	.			trans	-53	140.1	-179.2	0	0	0	0	0	114.2	A224 D225	G207-A224 WeakPolarHBondContact O-CA 3.22Å; G207-A224 WeakPolarHBondContact O-CB 3.24Å; G207-D225 PolarHBondContact O-N 3.1Å
208	V	97.3	Very high	92.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.8	-176.1	-165.9	0	0	0	0	109.5	A153 S154 V159 H204 G223 A224	A153-V208 HydrophobicContact CB-CB 3.99Å; A153-V208 HydrophobicContact CB-CG1 3.75Å; S154-V208 CarbonylContact C-O 3.52Å; S154-V208 PolarHBondContact O-N 3.31Å; V159-V208 HydrophobicContact CG2-CB 4.3Å; V159-V208 HydrophobicContact CG2-CG1 3.79Å; V159-V208 HydrophobicContact CG2-CG2 4.23Å; H204-V208 HydrophobicContact CB-CG2 4.01Å; V208-G223 WeakPolarHBondContact CG1-O 3.35Å; V208-A224 HydrophobicContact CB-CB 4.4Å; V208-A224 HydrophobicContact CG1-CB 4.33Å; V208-A224 HydrophobicContact CG2-CB 4.28Å
209	N	96.6	Very high	92.7	Very high	18 Å²	18	44.9 Å²	44.9	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-32.6	-176.5	-67.8	-53.7	0	0	0	112.8	M139 G223 D225 V252	M139-N209 VanDerWaalsContact CB-O 3.28Å; M139-N209 WeakPolarHBondContact CB-O 3.17Å; M139-N209 WeakPolarHBondContact CE-OD1 3.39Å; N209-G223 PolarHBondContact N-O 3.4Å; N209-D225 PolarHBondContact ND2-OD1 3.37Å; N209-V252 PolarHBondContact ND2-O 3.16Å
210	W	97.1	Very high	92.8	Very high	32 Å²	32	43.8 Å²	43.8	12%	0.121	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	140.4	-170.7	-160.3	-91	0	0	0	111.5	T98 F100 C140 S222 G223 C254 A255	T98-W210 HydrophobicContact CG2-CH2 4.08Å; T98-W210 HydrophobicContact CG2-CZ3 3.75Å; F100-W210 HydrophobicContact CZ-CH2 4.2Å; F100-W210 HydrophobicContact CZ-CZ2 4.35Å; C140-W210 HydrophobicContact CB-CD2 4.23Å; C140-W210 HydrophobicContact CB-CE3 3.96Å; C140-W210 HydrophobicContact CB-CZ3 4.43Å; W210-S222 CarbonylContact O-C 3.58Å; W210-S222 WeakPolarHBondContact O-CA 3.3Å; W210-G223 PolarHBondContact N-O 3.06Å; W210-G223 PolarHBondContact O-N 2.81Å; W210-C254 HydrophobicContact CD2-CB 4.26Å; W210-C254 HydrophobicContact CG-CB 4.32Å; W210-A255 PolarHBondContact NE1-O 3.38Å
211	A	96.6	Very high	92.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.8	165.8	0	0	0	0	0	109.7	V151 A153 V159 I220 V221	V151-A211 HydrophobicContact CG1-CB 4.39Å; V151-A211 HydrophobicContact CG2-CB 3.74Å; A153-A211 HydrophobicContact CB-CB 3.88Å; V159-A211 HydrophobicContact CG1-CB 3.87Å; V159-A211 HydrophobicContact CG2-CB 4.3Å; A211-I220 HydrophobicContact CB-CG2 4.37Å; A211-V221 CarbonylContact C-O 3.5Å; A211-V221 VanDerWaalsContact CA-O 3.27Å; A211-V221 WeakPolarHBondContact CA-O 3.48Å
212	A	95.1	Very high	93	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.6	178.6	0	0	0	0	0	111.5	I220 V221	A212-I220 WeakPolarHBondContact O-CA 3.49Å; A212-V221 HydrophobicContact CB-CG1 4.09Å; A212-V221 PolarHBondContact N-O 2.95Å; A212-V221 PolarHBondContact O-N 3.07Å
213	F	94.3	Very high	93.3	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.057	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	149	173.6	-71.9	-69.2	0	0	0	112.2	H144 P145 L149 V151 V161 I220 M234 F257	H144-F213 HydrophobicContact CB-CD2 3.79Å; H144-F213 HydrophobicContact CB-CE2 3.55Å; H144-F213 HydrophobicContact CB-CG 4.41Å; H144-F213 HydrophobicContact CB-CZ 4.02Å; H144-F213 AromaticContact CD2-CD1 3.52Å; H144-F213 AromaticContact CD2-CD2 3.83Å; H144-F213 AromaticContact CD2-CE1 3.74Å; H144-F213 AromaticContact CD2-CG 3.54Å; H144-F213 AromaticContact CD2-CZ 3.96Å; P145-F213 HydrophobicContact CG-CB 4.48Å; L149-F213 HydrophobicContact CB-CZ 4.26Å; V151-F213 HydrophobicContact CB-CD2 4.09Å; V151-F213 HydrophobicContact CB-CE1 4.19Å; V151-F213 HydrophobicContact CB-CE2 3.5Å; V151-F213 VanDerWaalsContact CB-CE2 3.5Å; V151-F213 HydrophobicContact CB-CZ 3.57Å; V151-F213 HydrophobicContact CG1-CD2 3.6Å; V151-F213 HydrophobicContact CG1-CE2 3.49Å; V151-F213 VanDerWaalsContact CG1-CE2 3.49Å; V151-F213 HydrophobicContact CG1-CG 4.27Å; V151-F213 HydrophobicContact CG1-CZ 4.06Å; V161-F213 HydrophobicContact CG1-CZ 4.43Å; F213-I220 HydrophobicContact CD1-CD1 4.24Å; F213-I220 HydrophobicContact CD1-CG1 3.58Å; F213-I220 HydrophobicContact CE1-CD1 3.83Å; F213-I220 HydrophobicContact CE1-CG1 3.71Å; F213-M234 HydrophobicContact CE1-CE 4.13Å; F213-M234 HydrophobicContact CE1-SD 3.95Å; F213-F257 WeakPolarHBondContact O-CD2 3.46Å
214	H	91.9	Very high	93.8	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	17%	0.168	C	C	.	.			trans	-71.9	139.2	166.1	-174.2	-88	0	0	0	110.2	T216 M217 L219 F257	H214-T216 PolarHBondContact CE1-OG1 3.18Å; H214-T216 VanDerWaalsContact CE1-OG1 3.28Å; H214-T216 PolarHBondContact ND1-N 3.11Å; H214-T216 PolarHBondContact O-N 3.23Å; H214-T216 VanDerWaalsContact O-N 3.08Å; H214-M217 HydrophobicContact CB-CB 4.33Å; H214-M217 WeakPolarHBondContact CE1-CE 3.35Å; H214-M217 WeakPolarHBondContact ND1-CB 3.28Å; H214-M217 PolarHBondContact ND1-N 3.34Å; H214-M217 WeakPolarHBondContact NE2-CE 3.4Å; H214-L219 HydrophobicContact CB-CB 4Å; H214-L219 PolarHBondContact N-O 2.86Å; H214-F257 VanDerWaalsContact CA-CD2 3.44Å; H214-F257 HydrophobicContact CB-CD2 3.85Å; H214-F257 HydrophobicContact CB-CE1 4.43Å; H214-F257 HydrophobicContact CB-CE2 3.72Å; H214-F257 HydrophobicContact CB-CG 4.23Å; H214-F257 HydrophobicContact CB-CZ 4.03Å; H214-F257 AromaticContact CD2-CD1 3.54Å; H214-F257 AromaticContact CD2-CE1 3.95Å; H214-F257 AromaticContact CD2-CG 3.64Å
215	P	86.4	Confident	93.9	Very high	53 Å²	53	33.1 Å²	33.1	34%	0.344	18%	0.175	S	C	.	.	S	Bend	trans	-57.7	-25.7	-175.2	-29.9	37	0	0	0	116.9
216	T	85.6	Confident	94	Very high	122 Å²	122	28.5 Å²	28.5	75%	0.748	15%	0.15	S	C	*	.	S	Bend	trans	-144.3	0.6	-170.5	59.2	0	0	0	0	115.6	H214	H214-T216 PolarHBondContact CE1-OG1 3.18Å; H214-T216 VanDerWaalsContact CE1-OG1 3.28Å; H214-T216 PolarHBondContact ND1-N 3.11Å; H214-T216 PolarHBondContact O-N 3.23Å; H214-T216 VanDerWaalsContact O-N 3.08Å
217	M	88.6	Confident	94	Very high	67 Å²	67	27.8 Å²	27.8	33%	0.33	15%	0.148	S	C	.	.	S	Bend	trans	-127.7	149.3	-176.1	-66.4	-166.9	-82.6	0	0	108.2	H214 L219 M278	H214-M217 HydrophobicContact CB-CB 4.33Å; H214-M217 WeakPolarHBondContact CE1-CE 3.35Å; H214-M217 WeakPolarHBondContact ND1-CB 3.28Å; H214-M217 PolarHBondContact ND1-N 3.34Å; H214-M217 WeakPolarHBondContact NE2-CE 3.4Å; M217-L219 HydrophobicContact CB-CD1 3.85Å; M217-L219 HydrophobicContact CB-CG 4.03Å; M217-L219 HydrophobicContact CE-CD1 4.06Å; M217-L219 PolarHBondContact O-N 3.41Å; M217-L219 HydrophobicContact SD-CD1 4.08Å; M217-M278 HydrophobicContact CE-CE 3.85Å; M217-M278 HydrophobicContact CE-SD 4.16Å
218	P	91.2	Very high	94	Very high	54 Å²	54	28.8 Å²	28.8	35%	0.351	15%	0.15	S	C	.	.	S	Bend	trans	-78.9	64.8	-178.1	34.6	-37.6	0	0	0	110.5	M234	P218-M234 HydrophobicContact CB-CG 3.92Å; P218-M234 WeakPolarHBondContact CB-O 3.43Å; P218-M234 PolarHBondContact O-N 2.88Å
219	L	92.7	Very high	93.9	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.073	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.1	-171.9	-61.8	174.5	0	0	0	109.9	H214 M217 W232 R233 L242 F257 M278	H214-L219 HydrophobicContact CB-CB 4Å; H214-L219 PolarHBondContact N-O 2.86Å; M217-L219 HydrophobicContact CB-CD1 3.85Å; M217-L219 HydrophobicContact CB-CG 4.03Å; M217-L219 HydrophobicContact CE-CD1 4.06Å; M217-L219 PolarHBondContact O-N 3.41Å; M217-L219 HydrophobicContact SD-CD1 4.08Å; L219-W232 VanDerWaalsContact CA-O 3.27Å; L219-W232 WeakPolarHBondContact CA-O 3.43Å; L219-R233 HydrophobicContact CD2-CB 3.69Å; L219-R233 HydrophobicContact CD2-CG 3.76Å; L219-L242 HydrophobicContact CD2-CD2 4.21Å; L219-F257 HydrophobicContact CB-CZ 4.44Å; L219-M278 HydrophobicContact CD1-CE 3.21Å; L219-M278 HydrophobicContact CG-CE 4.48Å
220	I	95.3	Very high	93.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.1	176.9	-60.6	164.3	0	0	0	107.6	V151 V159 V161 L201 A211 A212 F213 I231 W232 M234	V151-I220 HydrophobicContact CG2-CD1 4.27Å; V151-I220 HydrophobicContact CG2-CG2 4.1Å; V159-I220 HydrophobicContact CG1-CG2 4.49Å; V161-I220 HydrophobicContact CG2-CD1 3.61Å; L201-I220 HydrophobicContact CD1-CD1 4.09Å; A211-I220 HydrophobicContact CB-CG2 4.37Å; A212-I220 WeakPolarHBondContact O-CA 3.49Å; F213-I220 HydrophobicContact CD1-CD1 4.24Å; F213-I220 HydrophobicContact CD1-CG1 3.58Å; F213-I220 HydrophobicContact CE1-CD1 3.83Å; F213-I220 HydrophobicContact CE1-CG1 3.71Å; I220-I231 WeakPolarHBondContact O-CA 3.47Å; I220-W232 HydrophobicContact CB-CB 4.24Å; I220-W232 PolarHBondContact N-O 3.29Å; I220-W232 PolarHBondContact O-N 2.91Å; I220-M234 HydrophobicContact CD1-SD 4.1Å; I220-M234 HydrophobicContact CG1-SD 4.49Å
221	V	95.7	Very high	93.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138	165.5	65.4	0	0	0	0	109.2	A211 A212 V229 K230 A255 F257 I264	A211-V221 CarbonylContact C-O 3.5Å; A211-V221 VanDerWaalsContact CA-O 3.27Å; A211-V221 WeakPolarHBondContact CA-O 3.48Å; A212-V221 HydrophobicContact CB-CG1 4.09Å; A212-V221 PolarHBondContact N-O 2.95Å; A212-V221 PolarHBondContact O-N 3.07Å; V221-V229 HydrophobicContact CG2-CG1 3.46Å; V221-V229 VanDerWaalsContact CG2-CG1 3.46Å; V221-K230 WeakPolarHBondContact CA-O 3.41Å; V221-A255 HydrophobicContact CG1-CB 4.24Å; V221-A255 HydrophobicContact CG2-CB 3.85Å; V221-F257 HydrophobicContact CB-CD2 4.41Å; V221-F257 HydrophobicContact CB-CE1 4.31Å; V221-F257 HydrophobicContact CB-CE2 3.68Å; V221-F257 HydrophobicContact CB-CZ 3.63Å; V221-F257 HydrophobicContact CG1-CD2 3.81Å; V221-F257 HydrophobicContact CG1-CE2 3.5Å; V221-F257 VanDerWaalsContact CG1-CE2 3.5Å; V221-F257 HydrophobicContact CG1-CZ 3.96Å; V221-I264 HydrophobicContact CG2-CD1 4.34Å; V221-I264 HydrophobicContact CG2-CG2 3.96Å
222	S	96.8	Very high	93.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.3	171.9	59.7	0	0	0	0	112	H204 W210 V229 K230 W232	H204-S222 PolarHBondContact NE2-OG 2.61Å; W210-S222 CarbonylContact O-C 3.58Å; W210-S222 WeakPolarHBondContact O-CA 3.3Å; S222-V229 CarbonylContact O-C 3.51Å; S222-V229 VanDerWaalsContact O-CA 3.27Å; S222-V229 WeakPolarHBondContact O-CA 3.4Å; S222-K230 PolarHBondContact N-O 3.31Å; S222-K230 PolarHBondContact O-N 2.84Å; S222-W232 PolarHBondContact OG-NE1 3.32Å
223	G	96.6	Very high	93.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	133.6	174.9	0	0	0	0	0	110.8	V208 N209 W210	V208-G223 WeakPolarHBondContact CG1-O 3.35Å; N209-G223 PolarHBondContact N-O 3.4Å; W210-G223 PolarHBondContact N-O 3.06Å; W210-G223 PolarHBondContact O-N 2.81Å
224	A	96.8	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	173.8	-169.3	0	0	0	0	0	113.9	H204 G207 V208 D226 R227 Q228 V252	H204-A224 HydrophobicContact CB-CB 4.27Å; H204-A224 WeakPolarHBondContact ND1-CB 3.49Å; G207-A224 WeakPolarHBondContact O-CA 3.22Å; G207-A224 WeakPolarHBondContact O-CB 3.24Å; V208-A224 HydrophobicContact CB-CB 4.4Å; V208-A224 HydrophobicContact CG1-CB 4.33Å; V208-A224 HydrophobicContact CG2-CB 4.28Å; A224-D226 WeakPolarHBondContact CB-OD1 3.38Å; A224-D226 PolarHBondContact O-N 2.98Å; A224-R227 PolarHBondContact O-N 2.92Å; A224-Q228 PolarHBondContact N-O 3.15Å; A224-V252 PolarHBondContact O-N 2.95Å; A224-V252 VanDerWaalsContact O-N 3.07Å
225	D	95.9	Very high	93.1	Very high	38 Å²	38	35.4 Å²	35.4	20%	0.203	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.6	177.6	-80.9	3.1	0	0	0	113.8	R206 G207 N209 R227 N251	R206-D225 HydrophobicContact CB-CB 3.8Å; R206-D225 WeakPolarHBondContact CD-O 3.39Å; G207-D225 PolarHBondContact O-N 3.1Å; N209-D225 PolarHBondContact ND2-OD1 3.37Å; D225-R227 PolarHBondContact O-N 3.4Å; D225-N251 VanDerWaalsContact OD1-CB 3.29Å; D225-N251 WeakPolarHBondContact OD1-CB 3.49Å; D225-N251 PolarHBondContact OD1-ND2 3.17Å; D225-N251 PolarHBondContact OD2-ND2 2.99Å
226	D	94.8	Very high	92.9	Very high	19 Å²	19	41 Å²	41	10%	0.102	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	0.6	170.2	68.5	3	0	0	0	113	H204 D205 R206 A224 Q228	H204-D226 IonicContact CE1-OD1 2.71Å; H204-D226 IonicContact CE1-OD2 3.18Å; H204-D226 IonicContact CG-OD2 3.67Å; H204-D226 IonicContact ND1-OD1 3.25Å; H204-D226 PolarHBondContact ND1-OD1 3.49Å; H204-D226 IonicContact ND1-OD2 2.71Å; H204-D226 PolarHBondContact ND1-OD2 2.93Å; D205-D226 HydrophobicContact CB-CB 4.2Å; D205-D226 PolarHBondContact N-OD2 3.15Å; R206-D226 HydrophobicContact CB-CB 4.2Å; R206-D226 HydrophobicContact CG-CB 4.31Å; A224-D226 WeakPolarHBondContact CB-OD1 3.38Å; A224-D226 PolarHBondContact O-N 2.98Å; D226-Q228 HydrophobicContact CB-CG 4.5Å; D226-Q228 PolarHBondContact O-N 3.37Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.28Å; D226-Q228 VanDerWaalsContact OD1-CB 3.25Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.21Å; D226-Q228 PolarHBondContact OD1-N 3.07Å
227	R	94.8	Very high	92.8	Very high	124 Å²	124	39.9 Å²	39.9	47%	0.468	20%	0.197	S	C	.	.	S	Bend	trans	71.6	12.1	180	-41.3	168.9	-178.1	162.5	0.3	113.6	A224 D225 Y249	A224-R227 PolarHBondContact O-N 2.92Å; D225-R227 PolarHBondContact O-N 3.4Å; R227-Y249 PolarHBondContact NE-O 3.34Å
228	Q	93.6	Very high	92.7	Very high	31 Å²	31	42.9 Å²	42.9	15%	0.145	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	152	-178.4	-55.5	-179.9	30	0	0	111.1	A224 D226 T244	A224-Q228 PolarHBondContact N-O 3.15Å; D226-Q228 HydrophobicContact CB-CG 4.5Å; D226-Q228 PolarHBondContact O-N 3.37Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.28Å; D226-Q228 VanDerWaalsContact OD1-CB 3.25Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.21Å; D226-Q228 PolarHBondContact OD1-N 3.07Å; Q228-T244 HydrophobicContact CB-CG2 3.96Å; Q228-T244 HydrophobicContact CG-CG2 4.07Å
229	V	95.3	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.3	164.2	173.4	0	0	0	0	107	V221 S222 C245 V252 A255 I264	V221-V229 HydrophobicContact CG2-CG1 3.46Å; V221-V229 VanDerWaalsContact CG2-CG1 3.46Å; S222-V229 CarbonylContact O-C 3.51Å; S222-V229 VanDerWaalsContact O-CA 3.27Å; S222-V229 WeakPolarHBondContact O-CA 3.4Å; V229-C245 HydrophobicContact CB-CB 4.08Å; V229-C245 PolarHBondContact N-O 2.79Å; V229-C245 PolarHBondContact O-N 2.7Å; V229-V252 HydrophobicContact CG2-CG1 3.85Å; V229-V252 HydrophobicContact CG2-CG2 4.19Å; V229-A255 HydrophobicContact CG1-CB 4.36Å; V229-I264 HydrophobicContact CG1-CG2 4.38Å
230	K	94.6	Very high	92.7	Very high	11 Å²	11	44.9 Å²	44.9	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	145	179.6	-73.6	179.2	-177.4	-88.4	0	110.9	G203 V221 S222 W232 E241 T244	G203-K230 WeakPolarHBondContact O-CE 3.24Å; G203-K230 PolarHBondContact O-NZ 3.18Å; V221-K230 WeakPolarHBondContact CA-O 3.41Å; S222-K230 PolarHBondContact N-O 3.31Å; S222-K230 PolarHBondContact O-N 2.84Å; K230-W232 HydrophobicContact CB-CZ2 4.04Å; K230-W232 HydrophobicContact CD-CH2 4.22Å; K230-W232 HydrophobicContact CD-CZ2 3.74Å; K230-E241 IonicContact NZ-OE1 2.7Å; K230-E241 PolarHBondContact NZ-OE1 3.21Å; K230-E241 VanDerWaalsContact NZ-OE1 3.13Å; K230-E241 IonicContact NZ-OE2 3.83Å; K230-E241 PolarHBondContact NZ-OE2 3.23Å; K230-T244 PolarHBondContact NZ-OG1 3.09Å
231	I	94.3	Very high	92.5	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.4	173.6	-52.7	172.1	0	0	0	106.6	I220 L242 D243 I264	I220-I231 WeakPolarHBondContact O-CA 3.47Å; I231-L242 HydrophobicContact CG2-CB 4.42Å; I231-L242 HydrophobicContact CG2-CD2 4.2Å; I231-L242 WeakPolarHBondContact O-CA 3.3Å; I231-L242 WeakPolarHBondContact O-CB 3.4Å; I231-L242 PolarHBondContact O-N 3.47Å; I231-D243 PolarHBondContact N-O 3.04Å; I231-D243 PolarHBondContact O-N 2.53Å; I231-I264 HydrophobicContact CD1-CD1 3.47Å; I231-I264 VanDerWaalsContact CD1-CD1 3.47Å; I231-I264 HydrophobicContact CG1-CD1 3.72Å
232	W	94.3	Very high	92.2	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.019	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147.1	177.8	-47	83.8	0	0	0	109.4	L201 L219 I220 S222 K230 W240 E241	L201-W232 HydrophobicContact CB-CD2 4.26Å; L201-W232 HydrophobicContact CB-CE3 4.04Å; L201-W232 HydrophobicContact CB-CH2 4.27Å; L201-W232 HydrophobicContact CB-CZ2 4.48Å; L201-W232 HydrophobicContact CB-CZ3 4.04Å; L201-W232 HydrophobicContact CD1-CB 4.02Å; L201-W232 HydrophobicContact CD1-CD2 3.88Å; L201-W232 HydrophobicContact CD1-CE3 4.18Å; L201-W232 HydrophobicContact CD1-CG 3.79Å; L201-W232 HydrophobicContact CD2-CD2 4.19Å; L201-W232 HydrophobicContact CD2-CE3 3.62Å; L201-W232 HydrophobicContact CD2-CZ3 4.13Å; L201-W232 HydrophobicContact CG-CD2 4.35Å; L201-W232 HydrophobicContact CG-CE3 4.17Å; L219-W232 VanDerWaalsContact CA-O 3.27Å; L219-W232 WeakPolarHBondContact CA-O 3.43Å; I220-W232 HydrophobicContact CB-CB 4.24Å; I220-W232 PolarHBondContact N-O 3.29Å; I220-W232 PolarHBondContact O-N 2.91Å; S222-W232 PolarHBondContact OG-NE1 3.32Å; K230-W232 HydrophobicContact CB-CZ2 4.04Å; K230-W232 HydrophobicContact CD-CH2 4.22Å; K230-W232 HydrophobicContact CD-CZ2 3.74Å; W232-W240 CarbonylContact C-O 3.5Å; W232-W240 WeakPolarHBondContact CA-O 3.39Å; W232-E241 HydrophobicContact CE3-CB 3.86Å; W232-E241 HydrophobicContact CH2-CB 4.42Å; W232-E241 HydrophobicContact CZ3-CB 3.75Å; W232-E241 HydrophobicContact CZ3-CG 4.48Å
233	R	92.9	Very high	91.7	Very high	119 Å²	119	53.3 Å²	53.3	45%	0.449	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.9	168.7	-174.1	168.4	-172.8	173.1	2.7	109.5	L219 A239 W240	L219-R233 HydrophobicContact CD2-CB 3.69Å; L219-R233 HydrophobicContact CD2-CG 3.76Å; R233-A239 CarbonylContact O-C 3.52Å; R233-A239 VanDerWaalsContact O-CA 3.23Å; R233-A239 WeakPolarHBondContact O-CA 3.39Å; R233-W240 HydrophobicContact CB-CZ2 4.16Å; R233-W240 HydrophobicContact CG-CH2 4.1Å; R233-W240 HydrophobicContact CG-CZ2 4.03Å; R233-W240 PolarHBondContact N-O 3.45Å; R233-W240 PolarHBondContact O-N 3.16Å
234	M	90.8	Very high	91.4	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.8	173.5	70.2	-170.3	-148.2	0	0	111	L149 F213 P218 I220 A239	L149-M234 HydrophobicContact CD1-CE 3.62Å; F213-M234 HydrophobicContact CE1-CE 4.13Å; F213-M234 HydrophobicContact CE1-SD 3.95Å; P218-M234 HydrophobicContact CB-CG 3.92Å; P218-M234 WeakPolarHBondContact CB-O 3.43Å; P218-M234 PolarHBondContact O-N 2.88Å; I220-M234 HydrophobicContact CD1-SD 4.1Å; I220-M234 HydrophobicContact CG1-SD 4.49Å; M234-A239 HydrophobicContact CB-CB 3.75Å
235	N	88.9	Confident	91.2	Very high	74 Å²	74	53.7 Å²	53.7	40%	0.396	26%	0.255	S	S	.	.			trans	-131.1	-168.4	157.4	67.8	18.9	0	0	0	107.7	H199 S237 K238	H199-N235 PolarHBondContact NE2-O 2.8Å; N235-S237 VanDerWaalsContact C-N 3.29Å; N235-S237 PolarHBondContact O-N 2.97Å; N235-S237 PolarHBondContact OD1-N 3.12Å; N235-S237 PolarHBondContact OD1-OG 3.03Å; N235-K238 PolarHBondContact N-O 2.74Å; N235-K238 PolarHBondContact OD1-N 3.44Å; N235-K238 PolarHBondContact OD1-O 2.71Å
236	E	82.4	Confident	90.9	Very high	170 Å²	170	60 Å²	60	79%	0.794	28%	0.277	S	S	*	.	S	Bend	trans	-63.6	-31.8	-177.9	-64	-176.4	158.8	0	0	113.7	H199	H199-E236 PolarHBondContact CE1-O 2.74Å; H199-E236 PolarHBondContact NE2-O 3.27Å
237	S	82.9	Confident	90.6	Very high	100 Å²	100	60.4 Å²	60.4	70%	0.699	29%	0.285	S	S	*	.	S	Bend	trans	-110.5	-19.3	-169.2	60.1	0	0	0	0	115.5	H199 N235	H199-S237 WeakPolarHBondContact CE1-CA 3.27Å; H199-S237 PolarHBondContact CE1-N 3.03Å; H199-S237 PolarHBondContact CE1-O 3.01Å; N235-S237 VanDerWaalsContact C-N 3.29Å; N235-S237 PolarHBondContact O-N 2.97Å; N235-S237 PolarHBondContact OD1-N 3.12Å; N235-S237 PolarHBondContact OD1-OG 3.03Å
238	K	87.3	Confident	90.6	Very high	130 Å²	130	55 Å²	55	57%	0.565	27%	0.265	S	S	*	.			trans	-152.7	148.3	179.6	-174	172.1	-178	177.7	0	111.7	H199 N235 W240	H199-K238 WeakPolarHBondContact CE1-CA 3.49Å; H199-K238 PolarHBondContact CE1-N 3.37Å; N235-K238 PolarHBondContact N-O 2.74Å; N235-K238 PolarHBondContact OD1-N 3.44Å; N235-K238 PolarHBondContact OD1-O 2.71Å; K238-W240 HydrophobicContact CG-CE3 4.39Å
239	A	89.7	Confident	90.5	Very high	14 Å²	14	61.3 Å²	61.3	12%	0.116	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.4	161.7	0	0	0	0	0	111	H199 L201 R233 M234	H199-A239 HydrophobicContact CB-CB 4.14Å; L201-A239 HydrophobicContact CD2-CB 3.5Å; L201-A239 VanDerWaalsContact CD2-CB 3.5Å; L201-A239 HydrophobicContact CG-CB 4.4Å; R233-A239 CarbonylContact O-C 3.52Å; R233-A239 VanDerWaalsContact O-CA 3.23Å; R233-A239 WeakPolarHBondContact O-CA 3.39Å; M234-A239 HydrophobicContact CB-CB 3.75Å
240	W	92.5	Very high	90.5	Very high	96 Å²	96	63.9 Å²	63.9	36%	0.364	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.5	-176	68.6	97.2	0	0	0	112.5	W232 R233 K238 L242	W232-W240 CarbonylContact C-O 3.5Å; W232-W240 WeakPolarHBondContact CA-O 3.39Å; R233-W240 HydrophobicContact CB-CZ2 4.16Å; R233-W240 HydrophobicContact CG-CH2 4.1Å; R233-W240 HydrophobicContact CG-CZ2 4.03Å; R233-W240 PolarHBondContact N-O 3.45Å; R233-W240 PolarHBondContact O-N 3.16Å; K238-W240 HydrophobicContact CG-CE3 4.39Å; W240-L242 PolarHBondContact O-N 3.27Å
241	E	91.1	Very high	90.6	Very high	71 Å²	71	64.9 Å²	64.9	33%	0.332	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.3	175	-170.8	-179.6	148.1	0	0	110.4	K230 W232 T244	K230-E241 IonicContact NZ-OE1 2.7Å; K230-E241 PolarHBondContact NZ-OE1 3.21Å; K230-E241 VanDerWaalsContact NZ-OE1 3.13Å; K230-E241 IonicContact NZ-OE2 3.83Å; K230-E241 PolarHBondContact NZ-OE2 3.23Å; W232-E241 HydrophobicContact CE3-CB 3.86Å; W232-E241 HydrophobicContact CH2-CB 4.42Å; W232-E241 HydrophobicContact CZ3-CB 3.75Å; W232-E241 HydrophobicContact CZ3-CG 4.48Å; E241-T244 PolarHBondContact OE1-OG1 3.15Å
242	L	89.4	Confident	90.7	Very high	65 Å²	65	64.7 Å²	64.7	34%	0.34	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-43.2	176.4	-172.9	70.2	0	0	0	111.9	L219 I231 W240	L219-L242 HydrophobicContact CD2-CD2 4.21Å; I231-L242 HydrophobicContact CG2-CB 4.42Å; I231-L242 HydrophobicContact CG2-CD2 4.2Å; I231-L242 WeakPolarHBondContact O-CA 3.3Å; I231-L242 WeakPolarHBondContact O-CB 3.4Å; I231-L242 PolarHBondContact O-N 3.47Å; W240-L242 PolarHBondContact O-N 3.27Å
243	D	86.3	Confident	90.8	Very high	40 Å²	40	65 Å²	65	21%	0.214	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	166	174	-147.3	-25	0	0	0	112.6	I231 R281	I231-D243 PolarHBondContact N-O 3.04Å; I231-D243 PolarHBondContact O-N 2.53Å; D243-R281 HydrophobicContact CB-CG 4.29Å; D243-R281 WeakPolarHBondContact OD2-CB 3.41Å; D243-R281 WeakPolarHBondContact OD2-CD 3.29Å; D243-R281 WeakPolarHBondContact OD2-CG 3.46Å; D243-R281 IonicContact OD2-CZ 3.31Å; D243-R281 IonicContact OD2-NE 2.85Å; D243-R281 IonicContact OD2-NH1 2.92Å; D243-R281 PolarHBondContact OD2-NH1 2.86Å
244	T	91.3	Very high	91	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.8	175.6	-71.4	0	0	0	0	110.8	Q228 K230 E241 R246	Q228-T244 HydrophobicContact CB-CG2 3.96Å; Q228-T244 HydrophobicContact CG-CG2 4.07Å; K230-T244 PolarHBondContact NZ-OG1 3.09Å; E241-T244 PolarHBondContact OE1-OG1 3.15Å; T244-R246 HydrophobicContact CG2-CG 3.71Å; T244-R246 PolarHBondContact O-N 2.96Å
245	C	91.5	Very high	91.2	Very high	2 Å²	2	59 Å²	59	1%	0.014	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.4	168	-70.5	0	0	0	0	110.7	V229 W276	V229-C245 HydrophobicContact CB-CB 4.08Å; V229-C245 PolarHBondContact N-O 2.79Å; V229-C245 PolarHBondContact O-N 2.7Å; C245-W276 HydrophobicContact CB-CD2 3.83Å; C245-W276 HydrophobicContact CB-CE3 3.75Å; C245-W276 HydrophobicContact CB-CG 4.35Å; C245-W276 HydrophobicContact CB-CH2 4.37Å; C245-W276 HydrophobicContact CB-CZ2 4.42Å; C245-W276 HydrophobicContact CB-CZ3 4.04Å
246	R	90.8	Very high	91.5	Very high	172 Å²	172	56.2 Å²	56.2	65%	0.649	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.9	-178.4	-60.2	-175.8	177.1	84.1	-0	111.7	T244 W276	T244-R246 HydrophobicContact CG2-CG 3.71Å; T244-R246 PolarHBondContact O-N 2.96Å; R246-W276 WeakPolarHBondContact O-CH2 3.23Å; R246-W276 WeakPolarHBondContact O-CZ3 3.48Å
247	G	88.6	Confident	91.9	Very high	27 Å²	27	48.6 Å²	48.6	28%	0.278	24%	0.237	S	C	.	.			trans	153.3	-9.6	168.4	0	0	0	0	0	116.9	R274	G247-R274 PolarHBondContact O-NE 3.19Å; G247-R274 PolarHBondContact O-NH2 2.97Å
248	H	93.6	Very high	92.3	Very high	10 Å²	10	44 Å²	44	5%	0.046	21%	0.205	C	C	.	.			trans	-69.4	145.7	169	-82.1	-63.3	0	0	0	110.8	V252 S266 S268 D270 S272	H248-V252 HydrophobicContact CB-CG2 4.06Å; H248-S266 PolarHBondContact NE2-OG 3.06Å; H248-S268 VanDerWaalsContact CE1-CB 3.45Å; H248-S268 WeakPolarHBondContact CE1-CB 3.48Å; H248-S268 WeakPolarHBondContact ND1-CB 3.24Å; H248-D270 WeakPolarHBondContact CA-OD2 3.46Å; H248-D270 IonicContact CE1-OD1 2.7Å; H248-D270 IonicContact CE1-OD2 3.16Å; H248-D270 IonicContact CG-OD2 2.88Å; H248-D270 IonicContact ND1-OD1 3.89Å; H248-D270 PolarHBondContact ND1-OD1 2.81Å; H248-D270 IonicContact ND1-OD2 2.74Å; H248-D270 PolarHBondContact ND1-OD2 3.44Å; H248-S272 PolarHBondContact CE1-OG 3.03Å; H248-S272 PolarHBondContact ND1-OG 3.41Å
249	Y	93	Very high	92	Very high	163 Å²	163	39.6 Å²	39.6	64%	0.639	19%	0.189	S	C	*	.	S	Bend	trans	-97.9	-7.3	-177.7	-63	-75.7	0	0	0	113.6	R227 D270	R227-Y249 PolarHBondContact NE-O 3.34Å; Y249-D270 PolarHBondContact N-OD2 2.99Å
250	N	95	Very high	91.4	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.294	21%	0.211	S	C	.	.	S	Bend	trans	-147.5	178.2	-178.1	-156.8	3	0	0	0	109.1	V252 S268 E269 D270	N250-V252 PolarHBondContact O-N 3.35Å; N250-S268 PolarHBondContact O-OG 2.91Å; N250-S268 VanDerWaalsContact O-OG 3.04Å; N250-E269 HydrophobicContact CB-CB 4.25Å; N250-E269 VanDerWaalsContact ND2-CB 3.32Å; N250-E269 WeakPolarHBondContact ND2-CB 3.19Å; N250-E269 PolarHBondContact ND2-O 3.17Å; N250-D270 HydrophobicContact CB-CB 3.82Å
251	N	96	Very high	90.8	Very high	31 Å²	31	44.7 Å²	44.7	17%	0.166	21%	0.208	C	C	.	.			trans	-49.3	137.5	-177.2	-60	15.7	0	0	0	112.1	D225 S268 E269	D225-N251 VanDerWaalsContact OD1-CB 3.29Å; D225-N251 WeakPolarHBondContact OD1-CB 3.49Å; D225-N251 PolarHBondContact OD1-ND2 3.17Å; D225-N251 PolarHBondContact OD2-ND2 2.99Å; N251-S268 VanDerWaalsContact O-CA 3.3Å; N251-S268 WeakPolarHBondContact O-CA 3.25Å; N251-S268 VanDerWaalsContact O-CB 3.3Å; N251-S268 WeakPolarHBondContact O-CB 3.18Å; N251-S268 PolarHBondContact O-OG 3.45Å; N251-E269 PolarHBondContact O-N 3.3Å; N251-E269 VanDerWaalsContact O-N 3.11Å
252	V	97	Very high	90.6	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.2	174.8	-179	0	0	0	0	108.1	N209 A224 V229 H248 N250 N267	N209-V252 PolarHBondContact ND2-O 3.16Å; A224-V252 PolarHBondContact O-N 2.95Å; A224-V252 VanDerWaalsContact O-N 3.07Å; V229-V252 HydrophobicContact CG2-CG1 3.85Å; V229-V252 HydrophobicContact CG2-CG2 4.19Å; H248-V252 HydrophobicContact CB-CG2 4.06Å; N250-V252 PolarHBondContact O-N 3.35Å; V252-N267 WeakPolarHBondContact CG1-O 3.35Å
253	S	95.7	Very high	90.6	Very high	13 Å²	13	45.2 Å²	45.2	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-33.4	-172.4	-49.1	0	0	0	0	112.8	N267 F294 W295	S253-N267 PolarHBondContact N-O 2.89Å; S253-N267 VanDerWaalsContact N-O 3.08Å; S253-F294 PolarHBondContact OG-O 3.06Å; S253-W295 WeakPolarHBondContact CB-O 3.43Å
254	C	96.4	Very high	90.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	144	-178	-175.3	0	0	0	0	111.1	W210 S266 N267 L297	W210-C254 HydrophobicContact CD2-CB 4.26Å; W210-C254 HydrophobicContact CG-CB 4.32Å; C254-S266 WeakPolarHBondContact O-CA 3.48Å; C254-N267 WeakPolarHBondContact CA-OD1 3.36Å; C254-N267 VanDerWaalsContact CB-OD1 3.29Å; C254-N267 WeakPolarHBondContact CB-OD1 3.43Å; C254-N267 PolarHBondContact N-OD1 2.82Å; C254-N267 PolarHBondContact O-N 2.81Å; C254-N267 PolarHBondContact O-OD1 2.87Å; C254-L297 PolarHBondContact SG-N 3.08Å; C254-L297 VanDerWaalsContact SG-N 3.41Å
255	A	96	Very high	91.1	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133	174.3	0	0	0	0	0	110.6	W210 V221 V229 L265	W210-A255 PolarHBondContact NE1-O 3.38Å; V221-A255 HydrophobicContact CG1-CB 4.24Å; V221-A255 HydrophobicContact CG2-CB 3.85Å; V229-A255 HydrophobicContact CG1-CB 4.36Å; A255-L265 CarbonylContact C-O 3.53Å; A255-L265 WeakPolarHBondContact CA-O 3.42Å
256	V	94.4	Very high	91.3	Very high	15 Å²	15	43 Å²	43	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.2	-177.1	-62.7	0	0	0	0	111.5	L265 L297	V256-L265 HydrophobicContact CG2-CB 4.11Å; V256-L265 PolarHBondContact N-O 2.83Å; V256-L265 PolarHBondContact O-N 2.69Å; V256-L297 HydrophobicContact CG1-CB 4.25Å; V256-L297 HydrophobicContact CG2-CB 3.94Å; V256-L297 HydrophobicContact CG2-CD1 4.02Å
257	F	92.6	Very high	91.5	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	149.3	172.2	-69.7	-75.4	0	0	0	112	F213 H214 L219 V221 I264 M278	F213-F257 WeakPolarHBondContact O-CD2 3.46Å; H214-F257 VanDerWaalsContact CA-CD2 3.44Å; H214-F257 HydrophobicContact CB-CD2 3.85Å; H214-F257 HydrophobicContact CB-CE1 4.43Å; H214-F257 HydrophobicContact CB-CE2 3.72Å; H214-F257 HydrophobicContact CB-CG 4.23Å; H214-F257 HydrophobicContact CB-CZ 4.03Å; H214-F257 AromaticContact CD2-CD1 3.54Å; H214-F257 AromaticContact CD2-CE1 3.95Å; H214-F257 AromaticContact CD2-CG 3.64Å; L219-F257 HydrophobicContact CB-CZ 4.44Å; V221-F257 HydrophobicContact CB-CD2 4.41Å; V221-F257 HydrophobicContact CB-CE1 4.31Å; V221-F257 HydrophobicContact CB-CE2 3.68Å; V221-F257 HydrophobicContact CB-CZ 3.63Å; V221-F257 HydrophobicContact CG1-CD2 3.81Å; V221-F257 HydrophobicContact CG1-CE2 3.5Å; V221-F257 VanDerWaalsContact CG1-CE2 3.5Å; V221-F257 HydrophobicContact CG1-CZ 3.96Å; F257-I264 HydrophobicContact CD1-CD1 4.32Å; F257-I264 HydrophobicContact CD1-CG1 3.69Å; F257-I264 HydrophobicContact CE1-CD1 3.82Å; F257-I264 HydrophobicContact CE1-CG1 3.72Å; F257-M278 HydrophobicContact CE1-CE 3.86Å; F257-M278 HydrophobicContact CE1-SD 4.25Å
258	H	89.8	Confident	91.9	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.014	15%	0.153	C	C	.	.			trans	-78.9	122.1	171.3	-177	-71.5	0	0	0	110.1	R260 Q261 L263 L265 N304 F306	H258-R260 PolarHBondContact ND1-N 3.34Å; H258-R260 PolarHBondContact O-N 2.86Å; H258-Q261 WeakPolarHBondContact ND1-CB 3.15Å; H258-Q261 PolarHBondContact ND1-N 3Å; H258-Q261 PolarHBondContact O-N 3.49Å; H258-Q261 VanDerWaalsContact O-O 3.09Å; H258-L263 HydrophobicContact CB-CB 3.82Å; H258-L263 VanDerWaalsContact CB-O 3.3Å; H258-L263 WeakPolarHBondContact CB-O 3.46Å; H258-L263 PolarHBondContact N-O 3.41Å; H258-L265 HydrophobicContact CB-CD1 4.04Å; H258-N304 PolarHBondContact NE2-ND2 3.48Å; H258-F306 HydrophobicContact CB-CZ 4.15Å; H258-F306 AromaticContact CD2-CE2 3.42Å; H258-F306 VanDerWaalsContact CD2-CE2 3.42Å; H258-F306 WeakPolarHBondContact CD2-CE2 3.22Å; H258-F306 AromaticContact CD2-CZ 3.22Å; H258-F306 WeakPolarHBondContact CD2-CZ 3.48Å; H258-F306 AromaticContact CG-CZ 3.78Å; H258-F306 AromaticContact NE2-CE2 3.75Å; H258-F306 AromaticContact NE2-CZ 3.85Å
259	P	82	Confident	92	Very high	37 Å²	37	34.9 Å²	34.9	24%	0.24	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-14.9	-169.2	-27	34.6	0	0	0	117.5	A299	P259-A299 HydrophobicContact CG-CB 4.23Å
260	R	76.9	Confident	92	Very high	152 Å²	152	27.5 Å²	27.5	57%	0.574	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-0.3	-173.1	-62.7	179.9	68.3	145.3	1	115.7	H258 E584	H258-R260 PolarHBondContact ND1-N 3.34Å; H258-R260 PolarHBondContact O-N 2.86Å; R260-E584 IonicContact CZ-OE1 2.85Å; R260-E584 VanDerWaalsContact CZ-OE1 3.25Å; R260-E584 IonicContact NH1-OE1 2.89Å; R260-E584 PolarHBondContact NH1-OE1 3.22Å; R260-E584 IonicContact NH2-OE1 3.97Å; R260-E584 PolarHBondContact NH2-OE1 2.95Å
261	Q	80.1	Confident	92	Very high	65 Å²	65	28.4 Å²	28.4	30%	0.304	13%	0.132	S	C	.	.	S	Bend	trans	-143.9	152.1	-173.1	-66.9	178.7	-25.1	0	0	108.1	H258 L263 E320	H258-Q261 WeakPolarHBondContact ND1-CB 3.15Å; H258-Q261 PolarHBondContact ND1-N 3Å; H258-Q261 PolarHBondContact O-N 3.49Å; H258-Q261 VanDerWaalsContact O-O 3.09Å; Q261-L263 HydrophobicContact CB-CD1 4.26Å; Q261-L263 HydrophobicContact CB-CG 4.15Å; Q261-L263 PolarHBondContact O-N 3.38Å; Q261-E320 PolarHBondContact NE2-OE2 2.85Å
262	E	85.8	Confident	91.9	Very high	120 Å²	120	27 Å²	27	56%	0.561	13%	0.125	S	C	*	.	S	Bend	trans	-75.4	58.5	178.7	-64.5	177.5	-176.9	0	0	111.3	M278	E262-M278 HydrophobicContact CB-CB 4.11Å; E262-M278 WeakPolarHBondContact O-CB 3.3Å; E262-M278 PolarHBondContact O-N 3.25Å
263	L	89.6	Confident	91.8	Very high	28 Å²	28	27 Å²	27	15%	0.147	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.4	-178.3	-61.1	178.2	0	0	0	110.8	H258 Q261 V275 W276 V284 L319	H258-L263 HydrophobicContact CB-CB 3.82Å; H258-L263 VanDerWaalsContact CB-O 3.3Å; H258-L263 WeakPolarHBondContact CB-O 3.46Å; H258-L263 PolarHBondContact N-O 3.41Å; Q261-L263 HydrophobicContact CB-CD1 4.26Å; Q261-L263 HydrophobicContact CB-CG 4.15Å; Q261-L263 PolarHBondContact O-N 3.38Å; L263-V275 HydrophobicContact CB-CG1 4.29Å; L263-V275 HydrophobicContact CD1-CG1 4.07Å; L263-V275 HydrophobicContact CD2-CG1 4.26Å; L263-V275 HydrophobicContact CG-CG1 4.45Å; L263-W276 VanDerWaalsContact CA-O 3.28Å; L263-W276 WeakPolarHBondContact CA-O 3.45Å; L263-W276 WeakPolarHBondContact CD2-O 3.34Å; L263-V284 HydrophobicContact CD2-CG2 4.42Å; L263-L319 HydrophobicContact CD1-CD1 3.82Å
264	I	92.9	Very high	91.7	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.8	170.7	-60.3	171.8	0	0	0	108	V221 V229 I231 F257 V275 W276	V221-I264 HydrophobicContact CG2-CD1 4.34Å; V221-I264 HydrophobicContact CG2-CG2 3.96Å; V229-I264 HydrophobicContact CG1-CG2 4.38Å; I231-I264 HydrophobicContact CD1-CD1 3.47Å; I231-I264 VanDerWaalsContact CD1-CD1 3.47Å; I231-I264 HydrophobicContact CG1-CD1 3.72Å; F257-I264 HydrophobicContact CD1-CD1 4.32Å; F257-I264 HydrophobicContact CD1-CG1 3.69Å; F257-I264 HydrophobicContact CE1-CD1 3.82Å; F257-I264 HydrophobicContact CE1-CG1 3.72Å; I264-V275 CarbonylContact O-C 3.6Å; I264-V275 WeakPolarHBondContact O-CA 3.32Å; I264-W276 HydrophobicContact CB-CB 4.29Å; I264-W276 PolarHBondContact N-O 2.93Å; I264-W276 PolarHBondContact O-N 3Å
265	L	94.9	Very high	91.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.5	170.1	-67.2	82.8	0	0	0	108.8	A255 V256 H258 R274 V275 L297 F306 F317 L319	A255-L265 CarbonylContact C-O 3.53Å; A255-L265 WeakPolarHBondContact CA-O 3.42Å; V256-L265 HydrophobicContact CG2-CB 4.11Å; V256-L265 PolarHBondContact N-O 2.83Å; V256-L265 PolarHBondContact O-N 2.69Å; H258-L265 HydrophobicContact CB-CD1 4.04Å; L265-R274 WeakPolarHBondContact CA-O 3.31Å; L265-V275 HydrophobicContact CG-CG2 4.39Å; L265-L297 HydrophobicContact CB-CD1 4.01Å; L265-L297 WeakPolarHBondContact O-CD1 3.44Å; L265-F306 HydrophobicContact CD1-CD1 4.35Å; L265-F306 HydrophobicContact CD1-CE1 3.83Å; L265-F306 HydrophobicContact CD1-CE2 4.4Å; L265-F306 HydrophobicContact CD1-CZ 3.88Å; L265-F306 HydrophobicContact CD2-CB 4.37Å; L265-F306 HydrophobicContact CD2-CD1 3.8Å; L265-F306 HydrophobicContact CD2-CD2 3.97Å; L265-F306 HydrophobicContact CD2-CE1 4.1Å; L265-F306 HydrophobicContact CD2-CE2 4.28Å; L265-F306 HydrophobicContact CD2-CG 3.75Å; L265-F306 HydrophobicContact CD2-CZ 4.35Å; L265-F317 HydrophobicContact CD2-CE2 3.99Å; L265-F317 HydrophobicContact CD2-CZ 4.03Å; L265-L319 HydrophobicContact CD1-CD1 4.29Å; L265-L319 HydrophobicContact CD2-CD1 4.45Å; L265-L319 HydrophobicContact CD2-CD2 4.31Å
266	S	96	Very high	91.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.7	171.6	61.8	0	0	0	0	110.8	H248 C254 I273 R274 W276	H248-S266 PolarHBondContact NE2-OG 3.06Å; C254-S266 WeakPolarHBondContact O-CA 3.48Å; S266-I273 CarbonylContact O-C 3.58Å; S266-I273 VanDerWaalsContact O-CA 3.28Å; S266-I273 WeakPolarHBondContact O-CA 3.46Å; S266-R274 PolarHBondContact N-O 2.93Å; S266-R274 PolarHBondContact O-N 2.89Å; S266-W276 PolarHBondContact OG-NE1 2.95Å
267	N	96.1	Very high	91	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	158.6	171.3	78.1	-2.7	0	0	0	111	V252 S253 C254 S272 I273 F294 V296 L297	V252-N267 WeakPolarHBondContact CG1-O 3.35Å; S253-N267 PolarHBondContact N-O 2.89Å; S253-N267 VanDerWaalsContact N-O 3.08Å; C254-N267 WeakPolarHBondContact CA-OD1 3.36Å; C254-N267 VanDerWaalsContact CB-OD1 3.29Å; C254-N267 WeakPolarHBondContact CB-OD1 3.43Å; C254-N267 PolarHBondContact N-OD1 2.82Å; C254-N267 PolarHBondContact O-N 2.81Å; C254-N267 PolarHBondContact O-OD1 2.87Å; N267-S272 WeakPolarHBondContact CA-O 3.38Å; N267-I273 HydrophobicContact CB-CG1 4.17Å; N267-F294 HydrophobicContact CB-CB 3.65Å; N267-F294 HydrophobicContact CB-CG 4.45Å; N267-V296 WeakPolarHBondContact ND2-CA 3.44Å; N267-V296 PolarHBondContact ND2-N 2.94Å; N267-V296 PolarHBondContact ND2-O 2.81Å; N267-L297 HydrophobicContact CB-CD1 4.05Å; N267-L297 HydrophobicContact CB-CD2 4.08Å; N267-L297 HydrophobicContact CB-CG 3.92Å
268	S	96	Very high	90.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.6	-174.9	172.7	0	0	0	0	112.7	H248 N250 N251 D270 K271 S272	H248-S268 VanDerWaalsContact CE1-CB 3.45Å; H248-S268 WeakPolarHBondContact CE1-CB 3.48Å; H248-S268 WeakPolarHBondContact ND1-CB 3.24Å; N250-S268 PolarHBondContact O-OG 2.91Å; N250-S268 VanDerWaalsContact O-OG 3.04Å; N251-S268 VanDerWaalsContact O-CA 3.3Å; N251-S268 WeakPolarHBondContact O-CA 3.25Å; N251-S268 VanDerWaalsContact O-CB 3.3Å; N251-S268 WeakPolarHBondContact O-CB 3.18Å; N251-S268 PolarHBondContact O-OG 3.45Å; S268-D270 WeakPolarHBondContact CB-OD1 3.4Å; S268-D270 PolarHBondContact O-N 3.16Å; S268-D270 VanDerWaalsContact O-N 3.17Å; S268-D270 PolarHBondContact OG-N 3.07Å; S268-D270 PolarHBondContact OG-OD1 3.05Å; S268-K271 PolarHBondContact O-N 3.45Å; S268-K271 VanDerWaalsContact O-N 3.11Å; S268-S272 PolarHBondContact N-O 2.82Å
269	E	95	Very high	90.1	Very high	39 Å²	39	32.4 Å²	32.4	18%	0.182	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-2.4	166.6	-63.1	-156.7	-136.8	0	0	113.7	N250 N251 K271 R293 W295	N250-E269 HydrophobicContact CB-CB 4.25Å; N250-E269 VanDerWaalsContact ND2-CB 3.32Å; N250-E269 WeakPolarHBondContact ND2-CB 3.19Å; N250-E269 PolarHBondContact ND2-O 3.17Å; N251-E269 PolarHBondContact O-N 3.3Å; N251-E269 VanDerWaalsContact O-N 3.11Å; E269-K271 PolarHBondContact O-N 2.91Å; E269-R293 HydrophobicContact CB-CG 4.33Å; E269-R293 VanDerWaalsContact OE2-CD 3.29Å; E269-R293 WeakPolarHBondContact OE2-CD 3.33Å; E269-R293 IonicContact OE2-CZ 2.69Å; E269-R293 IonicContact OE2-NE 2.73Å; E269-R293 IonicContact OE2-NH1 3.98Å; E269-R293 PolarHBondContact OE2-NH1 2.96Å; E269-W295 HydrophobicContact CG-CH2 4.44Å; E269-W295 HydrophobicContact CG-CZ3 4.19Å; E269-W295 VanDerWaalsContact OE1-CZ3 3.24Å; E269-W295 WeakPolarHBondContact OE1-CZ3 3.46Å
270	D	93.9	Very high	89.9	Confident	9 Å²	9	36.6 Å²	36.6	5%	0.048	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	2.1	165.9	74.6	7.3	0	0	0	113.3	H248 Y249 N250 S268 S272 R288	H248-D270 WeakPolarHBondContact CA-OD2 3.46Å; H248-D270 IonicContact CE1-OD1 2.7Å; H248-D270 IonicContact CE1-OD2 3.16Å; H248-D270 IonicContact CG-OD2 2.88Å; H248-D270 IonicContact ND1-OD1 3.89Å; H248-D270 PolarHBondContact ND1-OD1 2.81Å; H248-D270 IonicContact ND1-OD2 2.74Å; H248-D270 PolarHBondContact ND1-OD2 3.44Å; Y249-D270 PolarHBondContact N-OD2 2.99Å; N250-D270 HydrophobicContact CB-CB 3.82Å; S268-D270 WeakPolarHBondContact CB-OD1 3.4Å; S268-D270 PolarHBondContact O-N 3.16Å; S268-D270 VanDerWaalsContact O-N 3.17Å; S268-D270 PolarHBondContact OG-N 3.07Å; S268-D270 PolarHBondContact OG-OD1 3.05Å; D270-S272 VanDerWaalsContact C-N 3.34Å; D270-S272 VanDerWaalsContact CG-OG 3.31Å; D270-S272 WeakPolarHBondContact OD1-CA 3.19Å; D270-S272 VanDerWaalsContact OD1-CB 3.23Å; D270-S272 WeakPolarHBondContact OD1-CB 3.48Å; D270-S272 PolarHBondContact OD1-N 2.81Å; D270-S272 PolarHBondContact OD1-OG 3.12Å; D270-S272 PolarHBondContact OD2-OG 3.28Å; D270-R288 PolarHBondContact O-NE 3.4Å; D270-R288 PolarHBondContact O-NH2 3.38Å
271	K	94.5	Very high	89.7	Confident	73 Å²	73	34.9 Å²	34.9	32%	0.317	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	26.2	-179.7	-45.9	173	-176.2	170.8	0	113.1	S268 E269 R288 R289 D290 D292 R293	S268-K271 PolarHBondContact O-N 3.45Å; S268-K271 VanDerWaalsContact O-N 3.11Å; E269-K271 PolarHBondContact O-N 2.91Å; K271-R288 CarbonylContact O-C 3.52Å; K271-R288 WeakPolarHBondContact O-CA 3.43Å; K271-R288 WeakPolarHBondContact O-CG 3.42Å; K271-R289 WeakPolarHBondContact CB-O 3.34Å; K271-R289 WeakPolarHBondContact CD-O 3.3Å; K271-R289 PolarHBondContact O-N 3.31Å; K271-D290 VanDerWaalsContact CD-O 3.3Å; K271-D290 WeakPolarHBondContact CD-O 3.3Å; K271-D290 WeakPolarHBondContact CE-O 3.03Å; K271-D290 PolarHBondContact NZ-O 3.46Å; K271-D292 WeakPolarHBondContact CA-O 3.31Å; K271-D292 WeakPolarHBondContact CB-O 3.41Å; K271-R293 HydrophobicContact CG-CG 4.09Å
272	S	94.4	Very high	89.8	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.4	177.3	78.6	0	0	0	0	115	H248 N267 S268 D270 F287	H248-S272 PolarHBondContact CE1-OG 3.03Å; H248-S272 PolarHBondContact ND1-OG 3.41Å; N267-S272 WeakPolarHBondContact CA-O 3.38Å; S268-S272 PolarHBondContact N-O 2.82Å; D270-S272 VanDerWaalsContact C-N 3.34Å; D270-S272 VanDerWaalsContact CG-OG 3.31Å; D270-S272 WeakPolarHBondContact OD1-CA 3.19Å; D270-S272 VanDerWaalsContact OD1-CB 3.23Å; D270-S272 WeakPolarHBondContact OD1-CB 3.48Å; D270-S272 PolarHBondContact OD1-N 2.81Å; D270-S272 PolarHBondContact OD1-OG 3.12Å; D270-S272 PolarHBondContact OD2-OG 3.28Å; S272-F287 CarbonylContact C-O 3.42Å; S272-F287 WeakPolarHBondContact CA-O 3.1Å; S272-F287 WeakPolarHBondContact CB-O 3.47Å
273	I	94.9	Very high	89.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.7	161.6	-58.3	170.6	0	0	0	106.8	M1 S266 N267 F287 F294 L297 A308 I315 F317	M1-I273 HydrophobicContact CE-CD1 3.93Å; S266-I273 CarbonylContact O-C 3.58Å; S266-I273 VanDerWaalsContact O-CA 3.28Å; S266-I273 WeakPolarHBondContact O-CA 3.46Å; N267-I273 HydrophobicContact CB-CG1 4.17Å; I273-F287 HydrophobicContact CB-CB 4.48Å; I273-F287 PolarHBondContact N-O 3.01Å; I273-F287 PolarHBondContact O-N 3Å; I273-F294 HydrophobicContact CD1-CD1 3.98Å; I273-F294 HydrophobicContact CD1-CD2 4.46Å; I273-F294 HydrophobicContact CD1-CE1 3.77Å; I273-F294 HydrophobicContact CD1-CE2 4.26Å; I273-F294 HydrophobicContact CD1-CG 4.33Å; I273-F294 HydrophobicContact CD1-CZ 3.9Å; I273-F294 HydrophobicContact CG1-CD1 4.13Å; I273-F294 HydrophobicContact CG1-CD2 3.85Å; I273-F294 HydrophobicContact CG1-CE1 4.21Å; I273-F294 HydrophobicContact CG1-CE2 3.92Å; I273-F294 HydrophobicContact CG1-CG 3.96Å; I273-F294 HydrophobicContact CG1-CZ 4.1Å; I273-L297 HydrophobicContact CD1-CD2 4.37Å; I273-A308 HydrophobicContact CD1-CB 3.54Å; I273-I315 HydrophobicContact CD1-CD1 4.34Å; I273-F317 HydrophobicContact CD1-CE1 4.15Å; I273-F317 HydrophobicContact CD1-CZ 4.21Å; I273-F317 HydrophobicContact CG2-CZ 4.45Å
274	R	93.7	Very high	89.3	Confident	33 Å²	33	34.5 Å²	34.5	13%	0.125	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.6	176.5	-70.8	-177.3	176	-116.8	-0.4	110.7	G247 L265 S266 W276 T286	G247-R274 PolarHBondContact O-NE 3.19Å; G247-R274 PolarHBondContact O-NH2 2.97Å; L265-R274 WeakPolarHBondContact CA-O 3.31Å; S266-R274 PolarHBondContact N-O 2.93Å; S266-R274 PolarHBondContact O-N 2.89Å; R274-W276 HydrophobicContact CB-CZ2 3.75Å; R274-W276 HydrophobicContact CG-CZ2 4.2Å; R274-T286 HydrophobicContact CG-CG2 3.95Å
275	V	92.6	Very high	88.9	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122	173.4	-173.8	0	0	0	0	107.6	L263 I264 L265 G283 V284 Q285 F287 L319	L263-V275 HydrophobicContact CB-CG1 4.29Å; L263-V275 HydrophobicContact CD1-CG1 4.07Å; L263-V275 HydrophobicContact CD2-CG1 4.26Å; L263-V275 HydrophobicContact CG-CG1 4.45Å; I264-V275 CarbonylContact O-C 3.6Å; I264-V275 WeakPolarHBondContact O-CA 3.32Å; L265-V275 HydrophobicContact CG-CG2 4.39Å; V275-G283 CarbonylContact O-C 3.52Å; V275-V284 PolarHBondContact O-N 2.89Å; V275-Q285 HydrophobicContact CB-CB 4.23Å; V275-Q285 HydrophobicContact CG2-CB 4.24Å; V275-Q285 PolarHBondContact N-O 3.35Å; V275-Q285 PolarHBondContact O-N 3.35Å; V275-F287 HydrophobicContact CG2-CE2 4.16Å; V275-L319 HydrophobicContact CG1-CD1 3.91Å; V275-L319 HydrophobicContact CG2-CD1 4.28Å; V275-L319 HydrophobicContact CG2-CD2 3.82Å
276	W	91.3	Very high	88.7	Confident	5 Å²	5	40 Å²	40	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.9	-177.6	-47	89.6	0	0	0	110.3	C245 R246 L263 I264 S266 R274 T282	C245-W276 HydrophobicContact CB-CD2 3.83Å; C245-W276 HydrophobicContact CB-CE3 3.75Å; C245-W276 HydrophobicContact CB-CG 4.35Å; C245-W276 HydrophobicContact CB-CH2 4.37Å; C245-W276 HydrophobicContact CB-CZ2 4.42Å; C245-W276 HydrophobicContact CB-CZ3 4.04Å; R246-W276 WeakPolarHBondContact O-CH2 3.23Å; R246-W276 WeakPolarHBondContact O-CZ3 3.48Å; L263-W276 VanDerWaalsContact CA-O 3.28Å; L263-W276 WeakPolarHBondContact CA-O 3.45Å; L263-W276 WeakPolarHBondContact CD2-O 3.34Å; I264-W276 HydrophobicContact CB-CB 4.29Å; I264-W276 PolarHBondContact N-O 2.93Å; I264-W276 PolarHBondContact O-N 3Å; S266-W276 PolarHBondContact OG-NE1 2.95Å; R274-W276 HydrophobicContact CB-CZ2 3.75Å; R274-W276 HydrophobicContact CG-CZ2 4.2Å; W276-T282 WeakPolarHBondContact CA-O 3.4Å
277	D	87	Confident	88.3	Confident	26 Å²	26	42.1 Å²	42.1	14%	0.139	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.6	169.9	-176.3	-37.2	0	0	0	107.9	S279 K280 R281 T282 V284	D277-S279 VanDerWaalsContact C-N 3.32Å; D277-S279 PolarHBondContact O-N 2.64Å; D277-S279 WeakPolarHBondContact OD1-CA 3.29Å; D277-S279 WeakPolarHBondContact OD1-CB 3.39Å; D277-S279 PolarHBondContact OD1-N 2.88Å; D277-S279 PolarHBondContact OD1-OG 2.84Å; D277-K280 HydrophobicContact CB-CB 4.15Å; D277-K280 PolarHBondContact OD1-N 3.33Å; D277-K280 WeakPolarHBondContact OD2-CD 3.4Å; D277-K280 IonicContact OD2-NZ 3.5Å; D277-K280 PolarHBondContact OD2-NZ 2.91Å; D277-R281 WeakPolarHBondContact O-CA 3.31Å; D277-R281 PolarHBondContact O-N 2.65Å; D277-T282 PolarHBondContact N-O 3.29Å; D277-V284 HydrophobicContact CB-CG2 3.55Å
278	M	83.4	Confident	88	Confident	27 Å²	27	49.8 Å²	49.8	13%	0.133	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-28.5	-176.5	-171.2	174.6	-175.2	0	0	112.4	M217 L219 F257 E262	M217-M278 HydrophobicContact CE-CE 3.85Å; M217-M278 HydrophobicContact CE-SD 4.16Å; L219-M278 HydrophobicContact CD1-CE 3.21Å; L219-M278 HydrophobicContact CG-CE 4.48Å; F257-M278 HydrophobicContact CE1-CE 3.86Å; F257-M278 HydrophobicContact CE1-SD 4.25Å; E262-M278 HydrophobicContact CB-CB 4.11Å; E262-M278 WeakPolarHBondContact O-CB 3.3Å; E262-M278 PolarHBondContact O-N 3.25Å
279	S	81.8	Confident	87.6	Confident	63 Å²	63	52.7 Å²	52.7	44%	0.441	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-43.2	176.5	72.8	0	0	0	0	111.7	D277	D277-S279 VanDerWaalsContact C-N 3.32Å; D277-S279 PolarHBondContact O-N 2.64Å; D277-S279 WeakPolarHBondContact OD1-CA 3.29Å; D277-S279 WeakPolarHBondContact OD1-CB 3.39Å; D277-S279 PolarHBondContact OD1-N 2.88Å; D277-S279 PolarHBondContact OD1-OG 2.84Å
280	K	77.2	Confident	87.1	Confident	125 Å²	125	56.2 Å²	56.2	54%	0.543	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-2.1	-175.4	-57.8	-177	-163.8	68	0	114.5	D277 T282	D277-K280 HydrophobicContact CB-CB 4.15Å; D277-K280 PolarHBondContact OD1-N 3.33Å; D277-K280 WeakPolarHBondContact OD2-CD 3.4Å; D277-K280 IonicContact OD2-NZ 3.5Å; D277-K280 PolarHBondContact OD2-NZ 2.91Å; K280-T282 WeakPolarHBondContact CB-OG1 3.14Å; K280-T282 WeakPolarHBondContact O-CG2 3.37Å; K280-T282 PolarHBondContact O-N 3.22Å; K280-T282 PolarHBondContact O-OG1 2.85Å
281	R	73	Confident	86.8	Confident	116 Å²	116	63.8 Å²	63.8	44%	0.438	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	34.6	178.4	-50	114.7	176.3	-104.8	6.3	114.1	D243 D277	D243-R281 HydrophobicContact CB-CG 4.29Å; D243-R281 WeakPolarHBondContact OD2-CB 3.41Å; D243-R281 WeakPolarHBondContact OD2-CD 3.29Å; D243-R281 WeakPolarHBondContact OD2-CG 3.46Å; D243-R281 IonicContact OD2-CZ 3.31Å; D243-R281 IonicContact OD2-NE 2.85Å; D243-R281 IonicContact OD2-NH1 2.92Å; D243-R281 PolarHBondContact OD2-NH1 2.86Å; D277-R281 WeakPolarHBondContact O-CA 3.31Å; D277-R281 PolarHBondContact O-N 2.65Å
282	T	82.1	Confident	86.6	Confident	81 Å²	81	60.9 Å²	60.9	50%	0.497	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.9	-173.7	37.4	0	0	0	0	111.5	W276 D277 K280 V284	W276-T282 WeakPolarHBondContact CA-O 3.4Å; D277-T282 PolarHBondContact N-O 3.29Å; K280-T282 WeakPolarHBondContact CB-OG1 3.14Å; K280-T282 WeakPolarHBondContact O-CG2 3.37Å; K280-T282 PolarHBondContact O-N 3.22Å; K280-T282 PolarHBondContact O-OG1 2.85Å; T282-V284 PolarHBondContact O-N 3.02Å
283	G	81.8	Confident	86.6	Confident	43 Å²	43	64.4 Å²	64.4	44%	0.443	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	116	177.9	0	0	0	0	0	111.5	V275	V275-G283 CarbonylContact O-C 3.52Å
284	V	82.9	Confident	86.7	Confident	81 Å²	81	64.6 Å²	64.6	49%	0.491	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-43	179	-166.3	0	0	0	0	111.2	L263 V275 D277 T282	L263-V284 HydrophobicContact CD2-CG2 4.42Å; V275-V284 PolarHBondContact O-N 2.89Å; D277-V284 HydrophobicContact CB-CG2 3.55Å; T282-V284 PolarHBondContact O-N 3.02Å
285	Q	84.4	Confident	86.8	Confident	46 Å²	46	64.9 Å²	64.9	22%	0.215	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.4	-176.2	-58.6	-176.4	-4.4	0	0	109.6	V275 F287	V275-Q285 HydrophobicContact CB-CB 4.23Å; V275-Q285 HydrophobicContact CG2-CB 4.24Å; V275-Q285 PolarHBondContact N-O 3.35Å; V275-Q285 PolarHBondContact O-N 3.35Å; Q285-F287 HydrophobicContact CB-CE2 3.57Å; Q285-F287 HydrophobicContact CB-CZ 3.64Å; Q285-F287 HydrophobicContact CG-CZ 4.28Å
286	T	89.9	Confident	86.9	Confident	68 Å²	68	65.1 Å²	65.1	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.7	171.9	-58.9	0	0	0	0	108.3	R274	R274-T286 HydrophobicContact CG-CG2 3.95Å
287	F	89.1	Confident	87.2	Confident	46 Å²	46	65.2 Å²	65.2	20%	0.202	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.2	176.7	-61.5	-68	0	0	0	108.4	M1 S272 I273 V275 Q285	M1-F287 HydrophobicContact CB-CD1 3.52Å; M1-F287 HydrophobicContact CB-CD2 3.91Å; M1-F287 HydrophobicContact CB-CE1 3.39Å; M1-F287 HydrophobicContact CB-CE2 3.77Å; M1-F287 HydrophobicContact CB-CG 3.81Å; M1-F287 HydrophobicContact CB-CZ 3.54Å; M1-F287 HydrophobicContact CG-CD1 4.48Å; M1-F287 HydrophobicContact CG-CG 4.46Å; M1-F287 VanDerWaalsContact N-CE1 3.33Å; M1-F287 HydrophobicContact SD-CB 4.07Å; M1-F287 HydrophobicContact SD-CD1 4.16Å; M1-F287 HydrophobicContact SD-CD2 4.38Å; M1-F287 HydrophobicContact SD-CG 3.89Å; S272-F287 CarbonylContact C-O 3.42Å; S272-F287 WeakPolarHBondContact CA-O 3.1Å; S272-F287 WeakPolarHBondContact CB-O 3.47Å; I273-F287 HydrophobicContact CB-CB 4.48Å; I273-F287 PolarHBondContact N-O 3.01Å; I273-F287 PolarHBondContact O-N 3Å; V275-F287 HydrophobicContact CG2-CE2 4.16Å; Q285-F287 HydrophobicContact CB-CE2 3.57Å; Q285-F287 HydrophobicContact CB-CZ 3.64Å; Q285-F287 HydrophobicContact CG-CZ 4.28Å
288	R	90.1	Very high	87.5	Confident	160 Å²	160	64.4 Å²	64.4	60%	0.604	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	148.9	-179.1	-160.3	178.1	-165.4	-176.2	1.5	111.1	D270 K271	D270-R288 PolarHBondContact O-NE 3.4Å; D270-R288 PolarHBondContact O-NH2 3.38Å; K271-R288 CarbonylContact O-C 3.52Å; K271-R288 WeakPolarHBondContact O-CA 3.43Å; K271-R288 WeakPolarHBondContact O-CG 3.42Å
289	R	87	Confident	87.9	Confident	61 Å²	61	64.7 Å²	64.7	23%	0.23	33%	0.327	C	S	.	.			trans	-122.3	143.9	163.9	-72	-170.5	166	-149.2	-10.3	109.2	E6 K271 D292 F294	E6-R289 IonicContact OE1-CZ 2.77Å; E6-R289 IonicContact OE1-NH1 2.73Å; E6-R289 PolarHBondContact OE1-NH1 3.2Å; E6-R289 IonicContact OE1-NH2 2.82Å; E6-R289 PolarHBondContact OE1-NH2 2.99Å; E6-R289 IonicContact OE2-CZ 3.28Å; E6-R289 IonicContact OE2-NH2 2.98Å; E6-R289 PolarHBondContact OE2-NH2 3.19Å; K271-R289 WeakPolarHBondContact CB-O 3.34Å; K271-R289 WeakPolarHBondContact CD-O 3.3Å; K271-R289 PolarHBondContact O-N 3.31Å; R289-D292 HydrophobicContact CB-CB 4.03Å; R289-D292 IonicContact NH1-OD2 3.97Å; R289-D292 PolarHBondContact NH1-OD2 2.72Å; R289-F294 HydrophobicContact CG-CE2 4.45Å; R289-F294 HydrophobicContact CG-CZ 4.12Å
290	D	85.1	Confident	88.4	Confident	113 Å²	113	61.9 Å²	61.9	60%	0.604	31%	0.307	S	S	*	.	S	Bend	trans	-82.9	-22.2	-173.8	-57.6	-56.2	0	0	0	113.6	K271	K271-D290 VanDerWaalsContact CD-O 3.3Å; K271-D290 WeakPolarHBondContact CD-O 3.3Å; K271-D290 WeakPolarHBondContact CE-O 3.03Å; K271-D290 PolarHBondContact NZ-O 3.46Å
291	H	86.4	Confident	88.6	Confident	168 Å²	168	59.2 Å²	59.2	78%	0.778	30%	0.302	S	S	*	.	S	Bend	trans	-115.2	-10.9	-173.7	-56.4	-67	0	0	0	115.1
292	D	90.6	Very high	88.9	Confident	13 Å²	13	58.7 Å²	58.7	7%	0.07	31%	0.308	C	S	.	.			trans	-117.9	115.9	-169.4	-86.9	-49.7	0	0	0	112	K271 R289 H310 S312	K271-D292 WeakPolarHBondContact CA-O 3.31Å; K271-D292 WeakPolarHBondContact CB-O 3.41Å; R289-D292 HydrophobicContact CB-CB 4.03Å; R289-D292 IonicContact NH1-OD2 3.97Å; R289-D292 PolarHBondContact NH1-OD2 2.72Å; D292-H310 HydrophobicContact CB-CB 4.06Å; D292-H310 IonicContact OD1-CE1 3.68Å; D292-H310 IonicContact OD1-CG 3.59Å; D292-H310 IonicContact OD1-ND1 2.76Å; D292-H310 PolarHBondContact OD1-ND1 3.47Å; D292-H310 IonicContact OD2-CE1 2.66Å; D292-H310 PolarHBondContact OD2-CE1 3.13Å; D292-H310 IonicContact OD2-ND1 2.6Å; D292-H310 PolarHBondContact OD2-ND1 2.88Å; D292-S312 WeakPolarHBondContact OD1-CB 3.22Å; D292-S312 PolarHBondContact OD1-N 3.37Å; D292-S312 PolarHBondContact OD1-OG 3.37Å
293	R	94.7	Very high	88.9	Confident	75 Å²	75	56.9 Å²	56.9	28%	0.283	30%	0.295	S	S	.	.			trans	-76.3	145.8	162.6	-64.2	178.2	-71.4	-178	-10.7	110.2	E269 K271 W295 H310 D311	E269-R293 HydrophobicContact CB-CG 4.33Å; E269-R293 VanDerWaalsContact OE2-CD 3.29Å; E269-R293 WeakPolarHBondContact OE2-CD 3.33Å; E269-R293 IonicContact OE2-CZ 2.69Å; E269-R293 IonicContact OE2-NE 2.73Å; E269-R293 IonicContact OE2-NH1 3.98Å; E269-R293 PolarHBondContact OE2-NH1 2.96Å; K271-R293 HydrophobicContact CG-CG 4.09Å; R293-W295 VanDerWaalsContact CZ-CZ2 3.49Å; R293-H310 CarbonylContact O-C 3.49Å; R293-H310 WeakPolarHBondContact O-CA 3.29Å; R293-H310 WeakPolarHBondContact O-CB 3.38Å; R293-D311 VanDerWaalsContact CB-OD2 3.32Å; R293-D311 WeakPolarHBondContact CB-OD2 3.5Å; R293-D311 IonicContact CZ-OD2 3.91Å; R293-D311 PolarHBondContact N-OD2 3.36Å; R293-D311 IonicContact NE-OD2 3.31Å; R293-D311 PolarHBondContact NE-OD2 3.46Å; R293-D311 IonicContact NH2-OD1 2.95Å; R293-D311 IonicContact NH2-OD2 3.42Å; R293-D311 PolarHBondContact O-N 3.36Å
294	F	96.1	Very high	89	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	138.2	174.2	-67.6	-77	0	0	0	110.5	S253 N267 I273 R289 A308 G309 H310 I315	S253-F294 PolarHBondContact OG-O 3.06Å; N267-F294 HydrophobicContact CB-CB 3.65Å; N267-F294 HydrophobicContact CB-CG 4.45Å; I273-F294 HydrophobicContact CD1-CD1 3.98Å; I273-F294 HydrophobicContact CD1-CD2 4.46Å; I273-F294 HydrophobicContact CD1-CE1 3.77Å; I273-F294 HydrophobicContact CD1-CE2 4.26Å; I273-F294 HydrophobicContact CD1-CG 4.33Å; I273-F294 HydrophobicContact CD1-CZ 3.9Å; I273-F294 HydrophobicContact CG1-CD1 4.13Å; I273-F294 HydrophobicContact CG1-CD2 3.85Å; I273-F294 HydrophobicContact CG1-CE1 4.21Å; I273-F294 HydrophobicContact CG1-CE2 3.92Å; I273-F294 HydrophobicContact CG1-CG 3.96Å; I273-F294 HydrophobicContact CG1-CZ 4.1Å; R289-F294 HydrophobicContact CG-CE2 4.45Å; R289-F294 HydrophobicContact CG-CZ 4.12Å; F294-A308 HydrophobicContact CD1-CB 3.87Å; F294-A308 HydrophobicContact CE1-CB 4.09Å; F294-G309 CarbonylContact C-O 3.42Å; F294-G309 WeakPolarHBondContact CA-O 3.39Å; F294-H310 HydrophobicContact CD1-CB 3.75Å; F294-H310 HydrophobicContact CE1-CB 3.96Å; F294-H310 HydrophobicContact CG-CB 4.46Å; F294-I315 HydrophobicContact CE1-CD1 3.67Å; F294-I315 HydrophobicContact CE1-CG1 4.31Å; F294-I315 HydrophobicContact CZ-CD1 4Å
295	W	95.7	Very high	89.3	Confident	39 Å²	39	51.9 Å²	51.9	15%	0.148	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-37.5	-172.2	-65.8	107.2	0	0	0	113.8	K13 S253 E269 R293 G309 D311	K13-W295 HydrophobicContact CD-CB 4.22Å; K13-W295 HydrophobicContact CD-CD2 4.48Å; K13-W295 HydrophobicContact CD-CG 4.23Å; K13-W295 VanDerWaalsContact NZ-CD2 3.26Å; S253-W295 WeakPolarHBondContact CB-O 3.43Å; E269-W295 HydrophobicContact CG-CH2 4.44Å; E269-W295 HydrophobicContact CG-CZ3 4.19Å; E269-W295 VanDerWaalsContact OE1-CZ3 3.24Å; E269-W295 WeakPolarHBondContact OE1-CZ3 3.46Å; R293-W295 VanDerWaalsContact CZ-CZ2 3.49Å; W295-G309 PolarHBondContact N-O 3.46Å; W295-D311 PolarHBondContact NE1-OD1 3.39Å
296	V	96.3	Very high	89.8	Confident	7 Å²	7	49.8 Å²	49.8	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	147	-174.8	62.3	0	0	0	0	111	V12 K13 L15 N267 A308 G309	V12-V296 HydrophobicContact CG1-CG1 4.45Å; K13-V296 WeakPolarHBondContact O-CB 3.36Å; K13-V296 WeakPolarHBondContact O-CG1 3.38Å; L15-V296 HydrophobicContact CB-CG1 4.38Å; L15-V296 HydrophobicContact CD1-CG1 3.97Å; L15-V296 HydrophobicContact CG-CG1 3.97Å; N267-V296 WeakPolarHBondContact ND2-CA 3.44Å; N267-V296 PolarHBondContact ND2-N 2.94Å; N267-V296 PolarHBondContact ND2-O 2.81Å; V296-A308 WeakPolarHBondContact O-CA 3.4Å; V296-G309 PolarHBondContact O-N 2.88Å
297	L	96.1	Very high	90.1	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.7	169.6	-66.4	177.4	0	0	0	110	C254 V256 L265 N267 I273 A307 A308	C254-L297 PolarHBondContact SG-N 3.08Å; C254-L297 VanDerWaalsContact SG-N 3.41Å; V256-L297 HydrophobicContact CG1-CB 4.25Å; V256-L297 HydrophobicContact CG2-CB 3.94Å; V256-L297 HydrophobicContact CG2-CD1 4.02Å; L265-L297 HydrophobicContact CB-CD1 4.01Å; L265-L297 WeakPolarHBondContact O-CD1 3.44Å; N267-L297 HydrophobicContact CB-CD1 4.05Å; N267-L297 HydrophobicContact CB-CD2 4.08Å; N267-L297 HydrophobicContact CB-CG 3.92Å; I273-L297 HydrophobicContact CD1-CD2 4.37Å; L297-A307 CarbonylContact C-O 3.59Å; L297-A307 WeakPolarHBondContact CA-O 3.37Å; L297-A308 HydrophobicContact CD2-CB 3.56Å
298	G	93.9	Very high	90.4	Very high	9 Å²	9	44.4 Å²	44.4	9%	0.093	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.2	166.5	0	0	0	0	0	110.1	F306 A307	G298-F306 CarbonylContact O-C 3.53Å; G298-F306 VanDerWaalsContact O-CA 3.3Å; G298-F306 WeakPolarHBondContact O-CA 3.49Å; G298-A307 PolarHBondContact N-O 3.33Å; G298-A307 PolarHBondContact O-N 3.04Å
299	A	92.5	Very high	90.7	Very high	33 Å²	33	36.8 Å²	36.8	27%	0.273	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.7	170	0	0	0	0	0	109.6	P259 F306	P259-A299 HydrophobicContact CG-CB 4.23Å; A299-F306 HydrophobicContact CB-CD1 3.88Å; A299-F306 HydrophobicContact CB-CE1 3.67Å
300	H	90.6	Very high	91.1	Very high	5 Å²	5	34 Å²	34	2%	0.023	18%	0.177	C	C	.	.			trans	-74.2	129.3	175.5	-173.6	-62.4	0	0	0	109.7	F17 N302 L303 L305	F17-H300 HydrophobicContact CB-CB 4.45Å; F17-H300 HydrophobicContact CD1-CB 4.46Å; F17-H300 AromaticContact CD1-CD2 3.8Å; F17-H300 HydrophobicContact CD2-CB 3.81Å; F17-H300 HydrophobicContact CE2-CB 4.04Å; F17-H300 HydrophobicContact CG-CB 4.01Å; F17-H300 AromaticContact CG-CD2 3.88Å; F17-H300 HydrophobicContact CZ-CB 4.47Å; H300-N302 PolarHBondContact ND1-N 2.99Å; H300-N302 PolarHBondContact O-N 2.89Å; H300-N302 VanDerWaalsContact O-N 3.13Å; H300-L303 HydrophobicContact CB-CB 4.25Å; H300-L303 PolarHBondContact ND1-N 3.41Å; H300-L303 PolarHBondContact O-N 3.46Å; H300-L305 HydrophobicContact CB-CB 3.86Å; H300-L305 WeakPolarHBondContact CB-O 3.49Å; H300-L305 PolarHBondContact N-O 3.23Å
301	P	81.5	Confident	91.6	Very high	68 Å²	68	30.2 Å²	30.2	44%	0.442	16%	0.157	S	C	.	.	S	Bend	trans	-50.2	-47.5	-171.8	-30.9	34.8	0	0	0	115
302	N	79.8	Confident	92	Very high	106 Å²	106	24.7 Å²	24.7	57%	0.567	14%	0.138	S	C	*	.	S	Bend	trans	-109.4	-9.6	-172.5	-58.9	-15.5	0	0	0	115.6	H300	H300-N302 PolarHBondContact ND1-N 2.99Å; H300-N302 PolarHBondContact O-N 2.89Å; H300-N302 VanDerWaalsContact O-N 3.13Å
303	L	82	Confident	92.1	Very high	42 Å²	42	24.1 Å²	24.1	22%	0.22	13%	0.134	C	C	.	.	S	Bend	trans	-119.3	149.6	-168.3	-61.7	-179.7	0	0	0	110.7	H300 L305	H300-L303 HydrophobicContact CB-CB 4.25Å; H300-L303 PolarHBondContact ND1-N 3.41Å; H300-L303 PolarHBondContact O-N 3.46Å; L303-L305 HydrophobicContact CB-CB 4.39Å; L303-L305 HydrophobicContact CB-CD1 4.21Å; L303-L305 HydrophobicContact CB-CG 4.27Å; L303-L305 HydrophobicContact CD1-CD1 3.9Å; L303-L305 PolarHBondContact O-N 3.36Å
304	N	84.3	Confident	92.2	Very high	16 Å²	16	20.5 Å²	20.5	9%	0.086	12%	0.121	C	C	.	.	S	Bend	trans	-73.7	73.8	166.3	-172.3	-27.7	0	0	0	108.9	H258 K318 L319	H258-N304 PolarHBondContact NE2-ND2 3.48Å; N304-K318 WeakPolarHBondContact O-CB 3.18Å; N304-L319 PolarHBondContact OD1-N 2.89Å
305	L	89.7	Confident	92.1	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	12%	0.12	C	C	.	.			trans	-141.3	133.5	176.3	-75.2	174.8	0	0	0	108.6	K4 F17 Y38 H300 L303 V316 F317 K318	K4-L305 HydrophobicContact CG-CD2 4.01Å; F17-L305 HydrophobicContact CZ-CB 4.41Å; Y38-L305 HydrophobicContact CE2-CD1 3.59Å; H300-L305 HydrophobicContact CB-CB 3.86Å; H300-L305 WeakPolarHBondContact CB-O 3.49Å; H300-L305 PolarHBondContact N-O 3.23Å; L303-L305 HydrophobicContact CB-CB 4.39Å; L303-L305 HydrophobicContact CB-CD1 4.21Å; L303-L305 HydrophobicContact CB-CG 4.27Å; L303-L305 HydrophobicContact CD1-CD1 3.9Å; L303-L305 PolarHBondContact O-N 3.36Å; L305-V316 HydrophobicContact CD2-CG1 4.42Å; L305-F317 WeakPolarHBondContact CA-O 3.31Å; L305-K318 HydrophobicContact CD2-CB 4.37Å
306	F	94.1	Very high	92	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	146.7	178.3	-62.6	-81.9	0	0	0	108.7	H258 L265 G298 A299 V316 F317 L319	H258-F306 HydrophobicContact CB-CZ 4.15Å; H258-F306 AromaticContact CD2-CE2 3.42Å; H258-F306 VanDerWaalsContact CD2-CE2 3.42Å; H258-F306 WeakPolarHBondContact CD2-CE2 3.22Å; H258-F306 AromaticContact CD2-CZ 3.22Å; H258-F306 WeakPolarHBondContact CD2-CZ 3.48Å; H258-F306 AromaticContact CG-CZ 3.78Å; H258-F306 AromaticContact NE2-CE2 3.75Å; H258-F306 AromaticContact NE2-CZ 3.85Å; L265-F306 HydrophobicContact CD1-CD1 4.35Å; L265-F306 HydrophobicContact CD1-CE1 3.83Å; L265-F306 HydrophobicContact CD1-CE2 4.4Å; L265-F306 HydrophobicContact CD1-CZ 3.88Å; L265-F306 HydrophobicContact CD2-CB 4.37Å; L265-F306 HydrophobicContact CD2-CD1 3.8Å; L265-F306 HydrophobicContact CD2-CD2 3.97Å; L265-F306 HydrophobicContact CD2-CE1 4.1Å; L265-F306 HydrophobicContact CD2-CE2 4.28Å; L265-F306 HydrophobicContact CD2-CG 3.75Å; L265-F306 HydrophobicContact CD2-CZ 4.35Å; G298-F306 CarbonylContact O-C 3.53Å; G298-F306 VanDerWaalsContact O-CA 3.3Å; G298-F306 WeakPolarHBondContact O-CA 3.49Å; A299-F306 HydrophobicContact CB-CD1 3.88Å; A299-F306 HydrophobicContact CB-CE1 3.67Å; F306-V316 CarbonylContact O-C 3.59Å; F306-V316 WeakPolarHBondContact O-CA 3.41Å; F306-F317 HydrophobicContact CB-CD1 4.15Å; F306-F317 HydrophobicContact CB-CD2 4.18Å; F306-F317 HydrophobicContact CB-CE1 3.66Å; F306-F317 HydrophobicContact CB-CE2 3.71Å; F306-F317 HydrophobicContact CB-CG 4.41Å; F306-F317 HydrophobicContact CB-CZ 3.43Å; F306-F317 VanDerWaalsContact CB-CZ 3.43Å; F306-F317 HydrophobicContact CD2-CE2 4.32Å; F306-F317 HydrophobicContact CG-CE2 4.27Å; F306-F317 HydrophobicContact CG-CZ 4.28Å; F306-F317 PolarHBondContact N-O 3.19Å; F306-F317 WeakPolarHBondContact O-CD1 3.39Å; F306-F317 PolarHBondContact O-N 2.9Å; F306-L319 HydrophobicContact CD2-CG 4.49Å; F306-L319 HydrophobicContact CE2-CG 4.33Å
307	A	95.8	Very high	91.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.8	170.5	0	0	0	0	0	108.6	L15 F17 V24 L297 G298 I315 V316	L15-A307 HydrophobicContact CD1-CB 3.69Å; L15-A307 HydrophobicContact CD2-CB 4.41Å; F17-A307 HydrophobicContact CE2-CB 3.73Å; F17-A307 HydrophobicContact CZ-CB 3.64Å; V24-A307 HydrophobicContact CG2-CB 4.35Å; L297-A307 CarbonylContact C-O 3.59Å; L297-A307 WeakPolarHBondContact CA-O 3.37Å; G298-A307 PolarHBondContact N-O 3.33Å; G298-A307 PolarHBondContact O-N 3.04Å; A307-I315 CarbonylContact C-O 3.6Å; A307-I315 VanDerWaalsContact CA-O 3.29Å; A307-I315 WeakPolarHBondContact CA-O 3.43Å; A307-V316 HydrophobicContact CB-CG2 3.98Å
308	A	96.3	Very high	91.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.4	172.8	0	0	0	0	0	110.2	I273 F294 V296 L297 M314 I315 F317	I273-A308 HydrophobicContact CD1-CB 3.54Å; F294-A308 HydrophobicContact CD1-CB 3.87Å; F294-A308 HydrophobicContact CE1-CB 4.09Å; V296-A308 WeakPolarHBondContact O-CA 3.4Å; L297-A308 HydrophobicContact CD2-CB 3.56Å; A308-M314 WeakPolarHBondContact O-CA 3.27Å; A308-I315 HydrophobicContact CB-CD1 4.41Å; A308-I315 HydrophobicContact CB-CG1 3.9Å; A308-I315 PolarHBondContact N-O 2.89Å; A308-I315 PolarHBondContact O-N 3.37Å; A308-F317 HydrophobicContact CB-CE1 3.99Å
309	G	96.4	Very high	91	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.1	174.7	0	0	0	0	0	110.1	L15 F294 W295 V296	L15-G309 VanDerWaalsContact CD1-N 3.26Å; F294-G309 CarbonylContact C-O 3.42Å; F294-G309 WeakPolarHBondContact CA-O 3.39Å; W295-G309 PolarHBondContact N-O 3.46Å; V296-G309 PolarHBondContact O-N 2.88Å
310	H	95.7	Very high	90.3	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	174.9	-178.2	58.4	95.5	0	0	0	112.4	R11 V12 D292 R293 F294 S312 G313 M314	R11-H310 WeakPolarHBondContact CA-O 3.46Å; V12-H310 PolarHBondContact N-O 3.18Å; V12-H310 VanDerWaalsContact N-O 3.16Å; D292-H310 HydrophobicContact CB-CB 4.06Å; D292-H310 IonicContact OD1-CE1 3.68Å; D292-H310 IonicContact OD1-CG 3.59Å; D292-H310 IonicContact OD1-ND1 2.76Å; D292-H310 PolarHBondContact OD1-ND1 3.47Å; D292-H310 IonicContact OD2-CE1 2.66Å; D292-H310 PolarHBondContact OD2-CE1 3.13Å; D292-H310 IonicContact OD2-ND1 2.6Å; D292-H310 PolarHBondContact OD2-ND1 2.88Å; R293-H310 CarbonylContact O-C 3.49Å; R293-H310 WeakPolarHBondContact O-CA 3.29Å; R293-H310 WeakPolarHBondContact O-CB 3.38Å; F294-H310 HydrophobicContact CD1-CB 3.75Å; F294-H310 HydrophobicContact CE1-CB 3.96Å; F294-H310 HydrophobicContact CG-CB 4.46Å; H310-S312 VanDerWaalsContact C-N 3.3Å; H310-S312 PolarHBondContact ND1-N 3.25Å; H310-S312 PolarHBondContact O-N 3.05Å; H310-G313 PolarHBondContact CD2-O 3.44Å; H310-G313 VanDerWaalsContact CD2-O 3.27Å; H310-G313 PolarHBondContact CE1-N 3.12Å; H310-G313 PolarHBondContact N-O 2.82Å; H310-G313 PolarHBondContact ND1-N 3.28Å; H310-G313 PolarHBondContact O-N 3.14Å; H310-M314 PolarHBondContact NE2-N 2.66Å
311	D	95.3	Very high	89.8	Confident	33 Å²	33	22.9 Å²	22.9	18%	0.176	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-42.9	-179.5	-82.2	-37.8	0	0	0	113.4	R11 R293 W295	R11-D311 WeakPolarHBondContact CA-O 3.21Å; R11-D311 IonicContact CZ-OD1 3.9Å; R11-D311 PolarHBondContact N-O 2.82Å; R11-D311 IonicContact NE-OD1 2.71Å; R11-D311 PolarHBondContact NE-OD1 3.31Å; R11-D311 IonicContact NH2-OD1 2.76Å; R11-D311 PolarHBondContact NH2-OD1 3.41Å; R293-D311 VanDerWaalsContact CB-OD2 3.32Å; R293-D311 WeakPolarHBondContact CB-OD2 3.5Å; R293-D311 IonicContact CZ-OD2 3.91Å; R293-D311 PolarHBondContact N-OD2 3.36Å; R293-D311 IonicContact NE-OD2 3.31Å; R293-D311 PolarHBondContact NE-OD2 3.46Å; R293-D311 IonicContact NH2-OD1 2.95Å; R293-D311 IonicContact NH2-OD2 3.42Å; R293-D311 PolarHBondContact O-N 3.36Å; W295-D311 PolarHBondContact NE1-OD1 3.39Å
312	S	94.2	Very high	89.7	Confident	53 Å²	53	21.4 Å²	21.4	37%	0.371	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	8.1	-179.2	-42.2	0	0	0	0	115.5	K8 S9 D292 H310	K8-S312 VanDerWaalsContact CA-O 3.27Å; K8-S312 WeakPolarHBondContact CA-O 3.47Å; S9-S312 PolarHBondContact N-O 2.93Å; S9-S312 CarbonylContact O-C 3.53Å; S9-S312 VanDerWaalsContact O-O 3.09Å; D292-S312 WeakPolarHBondContact OD1-CB 3.22Å; D292-S312 PolarHBondContact OD1-N 3.37Å; D292-S312 PolarHBondContact OD1-OG 3.37Å; H310-S312 VanDerWaalsContact C-N 3.3Å; H310-S312 PolarHBondContact ND1-N 3.25Å; H310-S312 PolarHBondContact O-N 3.05Å
313	G	94.3	Very high	90	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.9	-137.4	177.5	0	0	0	0	0	115.7	T7 S9 V12 H310	T7-G313 WeakPolarHBondContact O-CA 3.44Å; S9-G313 VanDerWaalsContact OG-CA 3.3Å; S9-G313 WeakPolarHBondContact OG-CA 3.34Å; V12-G313 WeakPolarHBondContact CB-O 3.39Å; V12-G313 VanDerWaalsContact CG2-C 3.48Å; V12-G313 VanDerWaalsContact CG2-O 3.23Å; V12-G313 WeakPolarHBondContact CG2-O 3.31Å; H310-G313 PolarHBondContact CD2-O 3.44Å; H310-G313 VanDerWaalsContact CD2-O 3.27Å; H310-G313 PolarHBondContact CE1-N 3.12Å; H310-G313 PolarHBondContact N-O 2.82Å; H310-G313 PolarHBondContact ND1-N 3.28Å; H310-G313 PolarHBondContact O-N 3.14Å
314	M	94.9	Very high	90.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.9	177.1	84.1	-177.2	105.2	0	0	113.5	F5 E6 T7 V12 L15 V24 A26 W36 A308 H310	F5-M314 HydrophobicContact CE1-CE 4.31Å; F5-M314 HydrophobicContact CE1-CG 4.21Å; F5-M314 HydrophobicContact CE1-SD 4.03Å; E6-M314 WeakPolarHBondContact CA-O 3.33Å; T7-M314 PolarHBondContact N-O 3.2Å; T7-M314 PolarHBondContact O-N 2.94Å; V12-M314 HydrophobicContact CG2-CB 4.18Å; L15-M314 HydrophobicContact CD2-CB 4.43Å; L15-M314 HydrophobicContact CD2-SD 3.88Å; V24-M314 HydrophobicContact CG1-SD 3.95Å; V24-M314 HydrophobicContact CG2-SD 4.44Å; A26-M314 HydrophobicContact CB-CE 3.33Å; A26-M314 HydrophobicContact CB-SD 3.93Å; W36-M314 HydrophobicContact CG-CE 4.05Å; A308-M314 WeakPolarHBondContact O-CA 3.27Å; H310-M314 PolarHBondContact NE2-N 2.66Å
315	I	94.9	Very high	90.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.1	168.5	56.8	-175.1	0	0	0	111.1	M1 E6 I273 F294 A307 A308 F317	M1-I315 HydrophobicContact CE-CD1 3.48Å; M1-I315 VanDerWaalsContact CE-CD1 3.48Å; M1-I315 HydrophobicContact CE-CG1 4.29Å; E6-I315 HydrophobicContact CB-CG2 3.95Å; E6-I315 HydrophobicContact CG-CG2 3.7Å; I273-I315 HydrophobicContact CD1-CD1 4.34Å; F294-I315 HydrophobicContact CE1-CD1 3.67Å; F294-I315 HydrophobicContact CE1-CG1 4.31Å; F294-I315 HydrophobicContact CZ-CD1 4Å; A307-I315 CarbonylContact C-O 3.6Å; A307-I315 VanDerWaalsContact CA-O 3.29Å; A307-I315 WeakPolarHBondContact CA-O 3.43Å; A308-I315 HydrophobicContact CB-CD1 4.41Å; A308-I315 HydrophobicContact CB-CG1 3.9Å; A308-I315 PolarHBondContact N-O 2.89Å; A308-I315 PolarHBondContact O-N 3.37Å; I315-F317 HydrophobicContact CG1-CD1 4.34Å
316	V	94.4	Very high	90.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.1	166.6	176	0	0	0	0	108.4	K4 F5 F17 V24 Y38 L305 F306 A307	K4-V316 HydrophobicContact CB-CG1 4.36Å; K4-V316 WeakPolarHBondContact CB-O 3.43Å; K4-V316 PolarHBondContact N-O 3.47Å; F5-V316 HydrophobicContact CB-CB 4.25Å; F5-V316 HydrophobicContact CD1-CB 4.04Å; F5-V316 HydrophobicContact CD1-CG2 3.75Å; F5-V316 HydrophobicContact CE1-CG2 4.41Å; F5-V316 PolarHBondContact N-O 3.41Å; F5-V316 PolarHBondContact O-N 3.27Å; F17-V316 HydrophobicContact CE1-CG1 4.33Å; F17-V316 HydrophobicContact CZ-CG1 4.16Å; F17-V316 HydrophobicContact CZ-CG2 4.44Å; V24-V316 HydrophobicContact CG1-CG2 4.26Å; Y38-V316 HydrophobicContact CD2-CG1 4.45Å; Y38-V316 HydrophobicContact CG-CG1 4.34Å; L305-V316 HydrophobicContact CD2-CG1 4.42Å; F306-V316 CarbonylContact O-C 3.59Å; F306-V316 WeakPolarHBondContact O-CA 3.41Å; A307-V316 HydrophobicContact CB-CG2 3.98Å
317	F	92.5	Very high	90.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	177.1	-172.2	67.5	-84.3	0	0	0	111.8	M1 L2 L265 I273 L305 F306 A308 I315 L319	M1-F317 HydrophobicContact CE-CB 3.8Å; M1-F317 HydrophobicContact CE-CD1 3.33Å; M1-F317 HydrophobicContact CE-CD2 3.62Å; M1-F317 HydrophobicContact CE-CE1 3.66Å; M1-F317 HydrophobicContact CE-CE2 3.92Å; M1-F317 HydrophobicContact CE-CG 3.29Å; M1-F317 HydrophobicContact CE-CZ 3.93Å; M1-F317 HydrophobicContact CG-CB 3.8Å; M1-F317 HydrophobicContact CG-CD2 3.69Å; M1-F317 HydrophobicContact CG-CE2 4.46Å; M1-F317 HydrophobicContact CG-CG 3.89Å; M1-F317 HydrophobicContact SD-CD2 4.49Å; M1-F317 HydrophobicContact SD-CG 4.44Å; L2-F317 WeakPolarHBondContact O-CA 3.47Å; L265-F317 HydrophobicContact CD2-CE2 3.99Å; L265-F317 HydrophobicContact CD2-CZ 4.03Å; I273-F317 HydrophobicContact CD1-CE1 4.15Å; I273-F317 HydrophobicContact CD1-CZ 4.21Å; I273-F317 HydrophobicContact CG2-CZ 4.45Å; L305-F317 WeakPolarHBondContact CA-O 3.31Å; F306-F317 HydrophobicContact CB-CD1 4.15Å; F306-F317 HydrophobicContact CB-CD2 4.18Å; F306-F317 HydrophobicContact CB-CE1 3.66Å; F306-F317 HydrophobicContact CB-CE2 3.71Å; F306-F317 HydrophobicContact CB-CG 4.41Å; F306-F317 HydrophobicContact CB-CZ 3.43Å; F306-F317 VanDerWaalsContact CB-CZ 3.43Å; F306-F317 HydrophobicContact CD2-CE2 4.32Å; F306-F317 HydrophobicContact CG-CE2 4.27Å; F306-F317 HydrophobicContact CG-CZ 4.28Å; F306-F317 PolarHBondContact N-O 3.19Å; F306-F317 WeakPolarHBondContact O-CD1 3.39Å; F306-F317 PolarHBondContact O-N 2.9Å; A308-F317 HydrophobicContact CB-CE1 3.99Å; I315-F317 HydrophobicContact CG1-CD1 4.34Å; F317-L319 HydrophobicContact CD2-CD2 4.45Å; F317-L319 HydrophobicContact CE2-CD2 4.08Å
318	K	88.6	Confident	90.1	Very high	15 Å²	15	20.6 Å²	20.6	7%	0.065	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.3	167.3	62.4	175.6	-171.5	146.7	0	111.1	M1 L2 K4 N304 L305 E320 E322	M1-K318 CarbonylContact C-O 3.52Å; M1-K318 WeakPolarHBondContact CA-O 3.34Å; L2-K318 HydrophobicContact CB-CG 3.93Å; L2-K318 HydrophobicContact CD1-CG 4.43Å; L2-K318 PolarHBondContact N-O 3.35Å; L2-K318 PolarHBondContact O-N 3.45Å; L2-K318 VanDerWaalsContact O-N 3.13Å; K4-K318 VanDerWaalsContact CE-CD 3.5Å; N304-K318 WeakPolarHBondContact O-CB 3.18Å; L305-K318 HydrophobicContact CD2-CB 4.37Å; K318-E320 VanDerWaalsContact CD-O 3.27Å; K318-E320 WeakPolarHBondContact CD-O 3.39Å; K318-E320 WeakPolarHBondContact CE-O 3.46Å; K318-E320 PolarHBondContact NZ-O 3.15Å; K318-E322 WeakPolarHBondContact CD-OE2 3.4Å; K318-E322 WeakPolarHBondContact CE-OE2 3.21Å; K318-E322 IonicContact NZ-OE2 3.54Å; K318-E322 PolarHBondContact NZ-OE2 2.87Å
319	L	82.6	Confident	89.6	Confident	15 Å²	15	25.1 Å²	25.1	8%	0.079	13%	0.127	C	C	.	.	S	Bend	trans	-81.5	-43.9	179.2	-59.3	-173.8	0	0	0	111.7	L263 L265 V275 N304 F306 F317	L263-L319 HydrophobicContact CD1-CD1 3.82Å; L265-L319 HydrophobicContact CD1-CD1 4.29Å; L265-L319 HydrophobicContact CD2-CD1 4.45Å; L265-L319 HydrophobicContact CD2-CD2 4.31Å; V275-L319 HydrophobicContact CG1-CD1 3.91Å; V275-L319 HydrophobicContact CG2-CD1 4.28Å; V275-L319 HydrophobicContact CG2-CD2 3.82Å; N304-L319 PolarHBondContact OD1-N 2.89Å; F306-L319 HydrophobicContact CD2-CG 4.49Å; F306-L319 HydrophobicContact CE2-CG 4.33Å; F317-L319 HydrophobicContact CD2-CD2 4.45Å; F317-L319 HydrophobicContact CE2-CD2 4.08Å
320	E	77.8	Confident	89	Confident	71 Å²	71	27.2 Å²	27.2	33%	0.332	15%	0.149	S	C	.	.	S	Bend	trans	-125.3	169	-164.9	-59.8	-165.1	131.4	0	0	115.8	Q261 K318	Q261-E320 PolarHBondContact NE2-OE2 2.85Å; K318-E320 VanDerWaalsContact CD-O 3.27Å; K318-E320 WeakPolarHBondContact CD-O 3.39Å; K318-E320 WeakPolarHBondContact CE-O 3.46Å; K318-E320 PolarHBondContact NZ-O 3.15Å
321	R	80.3	Confident	88.6	Confident	51 Å²	51	30 Å²	30	19%	0.192	16%	0.164	C	C	.	.			trans	-95.9	94.1	180	-179	-176.2	171.6	-95.7	15.6	112.1	R323 V365 F366	R321-R323 HydrophobicContact CG-CB 4.2Å; R321-R323 PolarHBondContact NH1-O 3.43Å; R321-R323 VanDerWaalsContact NH1-O 3.11Å; R321-R323 PolarHBondContact O-N 2.82Å; R321-V365 PolarHBondContact NH1-O 3.3Å; R321-F366 PolarHBondContact NH1-O 2.9Å; R321-F366 PolarHBondContact NH2-O 3.4Å
322	E	80.3	Confident	88.3	Confident	37 Å²	37	32.1 Å²	32.1	17%	0.173	17%	0.174	C	C	.	.			trans	-66.9	20.7	173.2	-42.4	147.2	106.5	0	0	115.9	K318 R583	K318-E322 WeakPolarHBondContact CD-OE2 3.4Å; K318-E322 WeakPolarHBondContact CE-OE2 3.21Å; K318-E322 IonicContact NZ-OE2 3.54Å; K318-E322 PolarHBondContact NZ-OE2 2.87Å; E322-R583 HydrophobicContact CB-CB 4.22Å; E322-R583 HydrophobicContact CB-CG 4.48Å; E322-R583 WeakPolarHBondContact OE1-CD 3.36Å; E322-R583 IonicContact OE1-CZ 3.54Å; E322-R583 IonicContact OE1-NE 2.76Å; E322-R583 IonicContact OE1-NH1 2.81Å; E322-R583 PolarHBondContact OE1-NH1 2.72Å; E322-R583 IonicContact OE2-NH1 2.73Å; E322-R583 PolarHBondContact OE2-NH1 3.16Å
323	R	85.7	Confident	88.2	Confident	29 Å²	29	29.6 Å²	29.6	11%	0.109	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-94.3	122.8	177.9	172.2	171.4	-178	146.6	10	109	R321 Y326 Y493 K531 Y569	R321-R323 HydrophobicContact CG-CB 4.2Å; R321-R323 PolarHBondContact NH1-O 3.43Å; R321-R323 VanDerWaalsContact NH1-O 3.11Å; R321-R323 PolarHBondContact O-N 2.82Å; R323-Y326 PolarHBondContact NH2-OH 3.02Å; R323-Y493 VanDerWaalsContact NH1-CD2 3.32Å; R323-K531 PolarHBondContact NH1-O 3.22Å; R323-Y569 HydrophobicContact CB-CE1 3.93Å; R323-Y569 HydrophobicContact CG-CD1 4Å; R323-Y569 HydrophobicContact CG-CE1 3.67Å
324	P	87.9	Confident	88	Confident	4 Å²	4	30.1 Å²	30.1	3%	0.026	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-60.3	141.6	173	22.8	-31.3	0	0	0	111.5	Y326 Y569 L581	P324-Y326 HydrophobicContact CG-CD1 4.46Å; P324-Y569 HydrophobicContact CG-CD2 3.82Å; P324-Y569 HydrophobicContact CG-CE2 4.47Å; P324-Y569 HydrophobicContact CG-CG 4.11Å; P324-L581 HydrophobicContact CB-CD1 3.85Å; P324-L581 HydrophobicContact CG-CB 3.86Å; P324-L581 HydrophobicContact CG-CD1 3.84Å
325	A	88.7	Confident	87.9	Confident	6 Å²	6	30.2 Å²	30.2	5%	0.05	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-86.7	124.7	161.9	0	0	0	0	0	108.2	Y335 V336 V365 M368	A325-Y335 WeakPolarHBondContact O-CA 3.43Å; A325-V336 PolarHBondContact O-N 3.42Å; A325-V365 HydrophobicContact CB-CB 4.01Å; A325-V365 HydrophobicContact CB-CG1 3.59Å; A325-M368 HydrophobicContact CB-CB 4.1Å
326	Y	92	Very high	87.6	Confident	43 Å²	43	30.8 Å²	30.8	17%	0.169	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.4	-177.7	67.8	-90.1	0	0	0	111.2	R323 P324 V328 L333 Y334 V570 T571 L581	R323-Y326 PolarHBondContact NH2-OH 3.02Å; P324-Y326 HydrophobicContact CG-CD1 4.46Å; Y326-V328 HydrophobicContact CD2-CG2 4.42Å; Y326-L333 HydrophobicContact CD2-CD1 4.03Å; Y326-L333 HydrophobicContact CG-CD1 4.3Å; Y326-Y334 CarbonylContact C-O 3.58Å; Y326-Y334 VanDerWaalsContact CA-O 3.22Å; Y326-Y334 WeakPolarHBondContact CA-O 3.41Å; Y326-Y334 WeakPolarHBondContact CB-O 3.41Å; Y326-V570 PolarHBondContact OH-O 3.12Å; Y326-T571 HydrophobicContact CD2-CG2 3.8Å; Y326-T571 HydrophobicContact CE1-CG2 4.46Å; Y326-T571 HydrophobicContact CE2-CG2 3.75Å; Y326-T571 HydrophobicContact CG-CG2 4.2Å; Y326-L581 HydrophobicContact CD1-CD1 4.23Å; Y326-L581 HydrophobicContact CG-CD1 4.29Å
327	A	90.3	Very high	87.2	Confident	16 Å²	16	33.8 Å²	33.8	13%	0.132	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.3	168.4	0	0	0	0	0	108.9	Y334 M368	A327-Y334 PolarHBondContact N-O 3.46Å; A327-Y334 PolarHBondContact O-N 2.77Å; A327-M368 HydrophobicContact CB-CE 3.86Å; A327-M368 HydrophobicContact CB-CG 4.41Å
328	V	88.8	Confident	86.5	Confident	56 Å²	56	40.5 Å²	40.5	34%	0.339	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.3	177.2	174.2	0	0	0	0	108.4	Y326 L333 F346	Y326-V328 HydrophobicContact CD2-CG2 4.42Å; V328-L333 HydrophobicContact CG2-CD1 3.76Å; V328-F346 HydrophobicContact CG1-CE2 3.88Å; V328-F346 HydrophobicContact CG1-CZ 4.35Å; V328-F346 HydrophobicContact CG2-CZ 4.22Å
329	H	86.1	Confident	86.2	Confident	94 Å²	94	46.5 Å²	46.5	44%	0.435	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	126.7	170.9	-178.3	75.5	0	0	0	109.9	N331 M332 Y370 P372	H329-N331 PolarHBondContact O-N 3.44Å; H329-M332 PolarHBondContact N-O 2.85Å; H329-M332 PolarHBondContact O-N 3.18Å; H329-Y370 HydrophobicContact CB-CD1 3.7Å; H329-Y370 HydrophobicContact CB-CE1 3.8Å; H329-P372 WeakPolarHBondContact NE2-CB 3.37Å
330	G	84	Confident	86.4	Confident	45 Å²	45	48.9 Å²	48.9	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-133.4	-170.4	0	0	0	0	0	111.2	M332 R572	G330-M332 VanDerWaalsContact C-N 3.3Å; G330-R572 PolarHBondContact O-NH1 3.14Å
331	N	86.7	Confident	86.9	Confident	60 Å²	60	45.6 Å²	45.6	32%	0.321	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.6	178.5	-66.4	-9.2	0	0	0	113.9	H329 F346 N347 R572	H329-N331 PolarHBondContact O-N 3.44Å; N331-F346 WeakPolarHBondContact O-CD2 3.47Å; N331-F346 PolarHBondContact O-N 3.3Å; N331-N347 PolarHBondContact ND2-ND2 3.15Å; N331-R572 PolarHBondContact OD1-NH1 3.11Å
332	M	89.6	Confident	87.3	Confident	78 Å²	78	46 Å²	46	38%	0.384	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.6	-177.2	-67	167.3	169.7	0	0	111.4	H329 G330 Y334 Q343	H329-M332 PolarHBondContact N-O 2.85Å; H329-M332 PolarHBondContact O-N 3.18Å; G330-M332 VanDerWaalsContact C-N 3.3Å; M332-Y334 HydrophobicContact CB-CE2 3.91Å; M332-Q343 PolarHBondContact SD-NE2 2.95Å
333	L	91	Very high	87.8	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.5	169.7	166.2	64.2	0	0	0	108.7	Y326 V328 Y335 Q343 L344 F346 T571 L581	Y326-L333 HydrophobicContact CD2-CD1 4.03Å; Y326-L333 HydrophobicContact CG-CD1 4.3Å; V328-L333 HydrophobicContact CG2-CD1 3.76Å; L333-Y335 HydrophobicContact CD2-CD1 4.36Å; L333-Y335 HydrophobicContact CG-CD1 4.09Å; L333-Q343 WeakPolarHBondContact O-CA 3.45Å; L333-L344 HydrophobicContact CB-CB 4.23Å; L333-L344 HydrophobicContact CD2-CB 4.42Å; L333-L344 HydrophobicContact CD2-CD2 3.93Å; L333-L344 PolarHBondContact N-O 3.41Å; L333-L344 PolarHBondContact O-N 2.84Å; L333-F346 HydrophobicContact CB-CE1 3.86Å; L333-F346 HydrophobicContact CB-CE2 4.28Å; L333-F346 HydrophobicContact CB-CZ 3.62Å; L333-F346 HydrophobicContact CD2-CE1 4.17Å; L333-F346 HydrophobicContact CD2-CZ 4.44Å; L333-T571 HydrophobicContact CD1-CG2 3.91Å; L333-T571 HydrophobicContact CD2-CG2 4.03Å; L333-L581 HydrophobicContact CD2-CD1 4.47Å; L333-L581 HydrophobicContact CD2-CD2 4.24Å; L333-L581 HydrophobicContact CD2-CG 4.33Å
334	Y	91.1	Very high	87.9	Confident	11 Å²	11	45 Å²	45	4%	0.043	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.5	169.7	-60.7	-88.2	0	0	0	109.2	Y326 A327 M332 R342 Q343 M368 Y370 I396	Y326-Y334 CarbonylContact C-O 3.58Å; Y326-Y334 VanDerWaalsContact CA-O 3.22Å; Y326-Y334 WeakPolarHBondContact CA-O 3.41Å; Y326-Y334 WeakPolarHBondContact CB-O 3.41Å; A327-Y334 PolarHBondContact N-O 3.46Å; A327-Y334 PolarHBondContact O-N 2.77Å; M332-Y334 HydrophobicContact CB-CE2 3.91Å; Y334-R342 WeakPolarHBondContact CA-O 3.38Å; Y334-Q343 HydrophobicContact CD1-CB 3.98Å; Y334-Q343 HydrophobicContact CD1-CG 4.04Å; Y334-Q343 HydrophobicContact CE1-CB 4.01Å; Y334-Q343 VanDerWaalsContact CE1-CD 3.47Å; Y334-Q343 HydrophobicContact CE1-CG 3.71Å; Y334-Q343 PolarHBondContact OH-NE2 2.91Å; Y334-M368 VanDerWaalsContact O-CE 3.25Å; Y334-M368 WeakPolarHBondContact O-CE 3.41Å; Y334-Y370 HydrophobicContact CD2-CD1 4.21Å; Y334-Y370 HydrophobicContact CD2-CE1 4.34Å; Y334-Y370 HydrophobicContact CD2-CG 4.32Å; Y334-Y370 HydrophobicContact CE2-CD1 4.08Å; Y334-Y370 AromaticContact CE2-CE1 3.74Å; Y334-Y370 HydrophobicContact CE2-CE1 3.74Å; Y334-Y370 HydrophobicContact CE2-CE2 4.25Å; Y334-Y370 HydrophobicContact CE2-CG 4.46Å; Y334-Y370 AromaticContact CE2-CZ 3.82Å; Y334-I396 HydrophobicContact CD1-CD1 4.24Å; Y334-I396 HydrophobicContact CE1-CD1 3.97Å
335	Y	91.9	Very high	88	Confident	1 Å²	1	46.7 Å²	46.7	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.9	178.1	66.3	-78.9	0	0	0	112.4	A325 L333 K337 R342 L344 D351 L581 C585	A325-Y335 WeakPolarHBondContact O-CA 3.43Å; L333-Y335 HydrophobicContact CD2-CD1 4.36Å; L333-Y335 HydrophobicContact CG-CD1 4.09Å; Y335-K337 HydrophobicContact CD2-CB 4.27Å; Y335-K337 HydrophobicContact CE2-CB 4.05Å; Y335-R342 HydrophobicContact CD1-CB 4.27Å; Y335-R342 HydrophobicContact CE1-CB 3.84Å; Y335-R342 HydrophobicContact CE2-CB 4.11Å; Y335-R342 PolarHBondContact N-O 2.95Å; Y335-R342 PolarHBondContact O-N 2.59Å; Y335-L344 HydrophobicContact CE1-CB 4.23Å; Y335-D351 PolarHBondContact OH-OD1 3.4Å; Y335-D351 VanDerWaalsContact OH-OD1 3.07Å; Y335-D351 PolarHBondContact OH-OD2 2.85Å; Y335-L581 HydrophobicContact CD1-CD2 4.49Å; Y335-L581 HydrophobicContact CD2-CD1 4.44Å; Y335-L581 HydrophobicContact CD2-CD2 4.26Å; Y335-L581 HydrophobicContact CE2-CD2 4.29Å; Y335-L581 HydrophobicContact CG-CD1 4.19Å; Y335-L581 HydrophobicContact CG-CD2 4.34Å; Y335-C585 HydrophobicContact CD2-CB 4.35Å; Y335-C585 HydrophobicContact CE2-CB 4.39Å; Y335-C585 VanDerWaalsContact CE2-O 3.27Å; Y335-C585 WeakPolarHBondContact CE2-O 2.91Å
336	V	88.6	Confident	87.8	Confident	13 Å²	13	46.6 Å²	46.6	8%	0.079	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.2	174.8	-178.3	0	0	0	0	109.7	A325 L341 L357 V365 M368 L379	A325-V336 PolarHBondContact O-N 3.42Å; V336-L341 HydrophobicContact CG2-CD1 4.21Å; V336-L357 HydrophobicContact CB-CD1 4.44Å; V336-L357 HydrophobicContact CG1-CD1 3.61Å; V336-L357 HydrophobicContact CG2-CD1 3.98Å; V336-V365 HydrophobicContact CG1-CG2 4.06Å; V336-M368 HydrophobicContact CG2-SD 4.03Å; V336-L379 HydrophobicContact CG2-CD1 4.19Å; V336-L379 HydrophobicContact CG2-CD2 3.8Å
337	K	86	Confident	87.5	Confident	64 Å²	64	49.1 Å²	49.1	28%	0.278	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.3	169.5	-179.4	178.1	177.2	-167.9	0	109	Y335 R339 F340 C585	Y335-K337 HydrophobicContact CD2-CB 4.27Å; Y335-K337 HydrophobicContact CE2-CB 4.05Å; K337-R339 PolarHBondContact O-N 3.04Å; K337-F340 PolarHBondContact N-O 3.42Å; K337-F340 PolarHBondContact O-N 3.1Å; K337-C585 HydrophobicContact CB-CB 3.99Å; K337-C585 HydrophobicContact CD-CB 4.19Å; K337-C585 HydrophobicContact CG-CB 3.93Å
338	D	79.2	Confident	87.1	Confident	140 Å²	140	51.9 Å²	51.9	75%	0.749	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-105.4	-177.3	-51.4	-48.6	0	0	0	112.1
339	R	81.3	Confident	86.8	Confident	142 Å²	142	52.6 Å²	52.6	54%	0.536	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	13.7	176.1	-58.8	-174.9	-172	168	3.7	113.7	K337 L357 S359	K337-R339 PolarHBondContact O-N 3.04Å; R339-L357 WeakPolarHBondContact O-CB 3.19Å; R339-L357 PolarHBondContact O-N 2.59Å; R339-S359 VanDerWaalsContact CZ-OG 3.24Å; R339-S359 PolarHBondContact NH1-OG 3.35Å
340	F	86.8	Confident	86.8	Confident	65 Å²	65	54.7 Å²	54.7	29%	0.285	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	-176.5	-62.3	-82.8	0	0	0	111.5	K337 R342 M355 Q356 P405	K337-F340 PolarHBondContact N-O 3.42Å; K337-F340 PolarHBondContact O-N 3.1Å; F340-R342 HydrophobicContact CB-CG 4.29Å; F340-M355 WeakPolarHBondContact CA-O 3.48Å; F340-Q356 HydrophobicContact CD1-CB 4.07Å; F340-Q356 HydrophobicContact CD1-CG 4.13Å; F340-Q356 HydrophobicContact CE1-CB 3.85Å; F340-Q356 HydrophobicContact CE1-CG 3.72Å; F340-Q356 HydrophobicContact CZ-CG 4.23Å; F340-P405 HydrophobicContact CD1-CG 4.01Å; F340-P405 HydrophobicContact CE1-CG 3.89Å
341	L	88.1	Confident	86.9	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.6	159.4	-175.5	69.5	0	0	0	107.2	V336 V354 M355 L357 M368 V377 I396	V336-L341 HydrophobicContact CG2-CD1 4.21Å; L341-V354 PolarHBondContact O-N 2.91Å; L341-M355 HydrophobicContact CB-CG 3.51Å; L341-M355 HydrophobicContact CB-SD 4.23Å; L341-M355 HydrophobicContact CD2-CE 4.08Å; L341-M355 HydrophobicContact CD2-CG 3.93Å; L341-M355 HydrophobicContact CD2-SD 3.93Å; L341-M355 HydrophobicContact CG-CG 4.36Å; L341-M355 PolarHBondContact N-O 3.05Å; L341-L357 HydrophobicContact CB-CD2 4.39Å; L341-M368 HydrophobicContact CD1-CE 3.95Å; L341-M368 HydrophobicContact CD1-SD 3.91Å; L341-V377 HydrophobicContact CD2-CG2 4.16Å; L341-I396 HydrophobicContact CD2-CD1 3.93Å; L341-I396 HydrophobicContact CD2-CG1 4.14Å
342	R	89.4	Confident	87	Confident	59 Å²	59	54 Å²	54	22%	0.223	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	151.6	178.3	-60.4	-172.3	71.4	89.6	-2.9	110.6	Y334 Y335 F340 D351 T352	Y334-R342 WeakPolarHBondContact CA-O 3.38Å; Y335-R342 HydrophobicContact CD1-CB 4.27Å; Y335-R342 HydrophobicContact CE1-CB 3.84Å; Y335-R342 HydrophobicContact CE2-CB 4.11Å; Y335-R342 PolarHBondContact N-O 2.95Å; Y335-R342 PolarHBondContact O-N 2.59Å; F340-R342 HydrophobicContact CB-CG 4.29Å; R342-D351 IonicContact CZ-OD1 3.13Å; R342-D351 IonicContact CZ-OD2 3.09Å; R342-D351 VanDerWaalsContact CZ-OD2 3.28Å; R342-D351 VanDerWaalsContact NE-CG 3.29Å; R342-D351 IonicContact NE-OD1 3.2Å; R342-D351 PolarHBondContact NE-OD1 2.91Å; R342-D351 IonicContact NE-OD2 3.01Å; R342-D351 PolarHBondContact NE-OD2 3.02Å; R342-D351 PolarHBondContact NH2-O 3Å; R342-D351 IonicContact NH2-OD1 3.23Å; R342-D351 PolarHBondContact NH2-OD1 3.22Å; R342-D351 IonicContact NH2-OD2 3.37Å; R342-D351 PolarHBondContact NH2-OD2 3.24Å; R342-T352 CarbonylContact C-O 3.59Å; R342-T352 VanDerWaalsContact CA-O 3.25Å; R342-T352 WeakPolarHBondContact CA-O 3.39Å
343	Q	89.9	Confident	86.8	Confident	37 Å²	37	50.8 Å²	50.8	17%	0.173	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.3	-179.9	179.3	178.6	-1.7	0	0	108.7	M332 L333 Y334 D351 T352 V354	M332-Q343 PolarHBondContact SD-NE2 2.95Å; L333-Q343 WeakPolarHBondContact O-CA 3.45Å; Y334-Q343 HydrophobicContact CD1-CB 3.98Å; Y334-Q343 HydrophobicContact CD1-CG 4.04Å; Y334-Q343 HydrophobicContact CE1-CB 4.01Å; Y334-Q343 VanDerWaalsContact CE1-CD 3.47Å; Y334-Q343 HydrophobicContact CE1-CG 3.71Å; Y334-Q343 PolarHBondContact OH-NE2 2.91Å; Q343-D351 WeakPolarHBondContact O-CA 3.32Å; Q343-T352 PolarHBondContact N-O 2.96Å; Q343-T352 PolarHBondContact O-N 3.42Å; Q343-T352 PolarHBondContact O-OG1 3.03Å; Q343-V354 HydrophobicContact CB-CG2 3.49Å; Q343-V354 VanDerWaalsContact CB-CG2 3.49Å
344	L	89.1	Confident	86.5	Confident	10 Å²	10	50.9 Å²	50.9	5%	0.052	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.6	172.3	178.6	81.6	0	0	0	108.5	L333 Y335 F346 S349 K350 D351 P587	L333-L344 HydrophobicContact CB-CB 4.23Å; L333-L344 HydrophobicContact CD2-CB 4.42Å; L333-L344 HydrophobicContact CD2-CD2 3.93Å; L333-L344 PolarHBondContact N-O 3.41Å; L333-L344 PolarHBondContact O-N 2.84Å; Y335-L344 HydrophobicContact CE1-CB 4.23Å; L344-F346 HydrophobicContact CD2-CD1 4.31Å; L344-F346 HydrophobicContact CD2-CE1 4.36Å; L344-S349 WeakPolarHBondContact CD1-O 3.41Å; L344-K350 WeakPolarHBondContact CA-O 3.47Å; L344-D351 HydrophobicContact CD1-CB 3.98Å; L344-P587 HydrophobicContact CD1-CB 4.35Å; L344-P587 HydrophobicContact CD1-CG 4.29Å; L344-P587 HydrophobicContact CD2-CB 3.75Å
345	D	88.4	Confident	86.2	Confident	39 Å²	39	50.4 Å²	50.4	21%	0.209	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.9	164.9	165.9	35.6	0	0	0	109.9	N347 S348 S349 K350	D345-N347 VanDerWaalsContact C-N 3.29Å; D345-N347 PolarHBondContact O-N 3.22Å; D345-N347 PolarHBondContact OD1-N 3.38Å; D345-S348 VanDerWaalsContact OD2-CB 3.25Å; D345-S348 WeakPolarHBondContact OD2-CB 3.31Å; D345-S348 PolarHBondContact OD2-N 3.37Å; D345-S348 PolarHBondContact OD2-OG 3.16Å; D345-S349 WeakPolarHBondContact O-CA 3.43Å; D345-S349 PolarHBondContact O-N 2.84Å; D345-K350 PolarHBondContact N-O 3.03Å
346	F	85.6	Confident	85.9	Confident	4 Å²	4	54 Å²	54	2%	0.018	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.7	178.7	-64.2	-52.2	0	0	0	113.8	V328 N331 L333 L344 R572 Y579	V328-F346 HydrophobicContact CG1-CE2 3.88Å; V328-F346 HydrophobicContact CG1-CZ 4.35Å; V328-F346 HydrophobicContact CG2-CZ 4.22Å; N331-F346 WeakPolarHBondContact O-CD2 3.47Å; N331-F346 PolarHBondContact O-N 3.3Å; L333-F346 HydrophobicContact CB-CE1 3.86Å; L333-F346 HydrophobicContact CB-CE2 4.28Å; L333-F346 HydrophobicContact CB-CZ 3.62Å; L333-F346 HydrophobicContact CD2-CE1 4.17Å; L333-F346 HydrophobicContact CD2-CZ 4.44Å; L344-F346 HydrophobicContact CD2-CD1 4.31Å; L344-F346 HydrophobicContact CD2-CE1 4.36Å; F346-R572 HydrophobicContact CE1-CB 4.34Å; F346-R572 HydrophobicContact CE2-CB 3.81Å; F346-R572 HydrophobicContact CE2-CG 4.26Å; F346-R572 HydrophobicContact CZ-CB 3.65Å; F346-Y579 HydrophobicContact CB-CD1 4.47Å; F346-Y579 HydrophobicContact CB-CE1 4.09Å; F346-Y579 AromaticContact CD1-CD1 3.38Å; F346-Y579 HydrophobicContact CD1-CD1 3.38Å; F346-Y579 HydrophobicContact CD1-CD2 4.24Å; F346-Y579 AromaticContact CD1-CE1 3.88Å; F346-Y579 HydrophobicContact CD1-CE1 3.88Å; F346-Y579 AromaticContact CD1-CG 3.59Å; F346-Y579 HydrophobicContact CD1-CG 3.59Å; F346-Y579 AromaticContact CE1-CD1 3.96Å; F346-Y579 HydrophobicContact CE1-CD1 3.96Å; F346-Y579 AromaticContact CE1-CG 3.8Å; F346-Y579 HydrophobicContact CE1-CG 3.8Å; F346-Y579 HydrophobicContact CG-CD1 4.28Å; F346-Y579 HydrophobicContact CG-CE1 4.39Å; F346-Y579 HydrophobicContact CG-CG 4.43Å; F346-Y579 PolarHBondContact O-OH 3.11Å
347	N	84.9	Confident	85.6	Confident	95 Å²	95	54 Å²	54	51%	0.508	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-54.1	178.2	-76.8	-18.9	0	0	0	111.5	N331 D345 R574	N331-N347 PolarHBondContact ND2-ND2 3.15Å; D345-N347 VanDerWaalsContact C-N 3.29Å; D345-N347 PolarHBondContact O-N 3.22Å; D345-N347 PolarHBondContact OD1-N 3.38Å; N347-R574 PolarHBondContact OD1-NH1 2.76Å
348	S	82.4	Confident	85	Confident	74 Å²	74	57.6 Å²	57.6	52%	0.517	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-11.9	-179	61.6	0	0	0	0	114.6	D345 K350	D345-S348 VanDerWaalsContact OD2-CB 3.25Å; D345-S348 WeakPolarHBondContact OD2-CB 3.31Å; D345-S348 PolarHBondContact OD2-N 3.37Å; D345-S348 PolarHBondContact OD2-OG 3.16Å; S348-K350 PolarHBondContact O-N 3.5Å; S348-K350 VanDerWaalsContact O-N 3.08Å; S348-K350 WeakPolarHBondContact OG-CB 3.48Å; S348-K350 PolarHBondContact OG-N 2.95Å
349	S	82.6	Confident	83.9	Confident	71 Å²	71	54.7 Å²	54.7	50%	0.497	27%	0.274	S	S	.	.			trans	54.8	18	-169.2	-60.8	0	0	0	0	114.5	L344 D345	L344-S349 WeakPolarHBondContact CD1-O 3.41Å; D345-S349 WeakPolarHBondContact O-CA 3.43Å; D345-S349 PolarHBondContact O-N 2.84Å
350	K	85.8	Confident	82.5	Confident	139 Å²	139	50.2 Å²	50.2	60%	0.604	27%	0.272	S	S	*	.			trans	-77.4	123.3	179.1	-169.3	-179.1	179.3	-180	0	110.1	L344 D345 S348 T352	L344-K350 WeakPolarHBondContact CA-O 3.47Å; D345-K350 PolarHBondContact N-O 3.03Å; S348-K350 PolarHBondContact O-N 3.5Å; S348-K350 VanDerWaalsContact O-N 3.08Å; S348-K350 WeakPolarHBondContact OG-CB 3.48Å; S348-K350 PolarHBondContact OG-N 2.95Å; K350-T352 HydrophobicContact CD-CG2 4.32Å; K350-T352 HydrophobicContact CG-CG2 4.21Å
351	D	86.8	Confident	81	Confident	52 Å²	52	49.3 Å²	49.3	28%	0.278	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.1	177.7	170.1	27.8	0	0	0	110.6	Y335 R342 Q343 L344	Y335-D351 PolarHBondContact OH-OD1 3.4Å; Y335-D351 VanDerWaalsContact OH-OD1 3.07Å; Y335-D351 PolarHBondContact OH-OD2 2.85Å; R342-D351 IonicContact CZ-OD1 3.13Å; R342-D351 IonicContact CZ-OD2 3.09Å; R342-D351 VanDerWaalsContact CZ-OD2 3.28Å; R342-D351 VanDerWaalsContact NE-CG 3.29Å; R342-D351 IonicContact NE-OD1 3.2Å; R342-D351 PolarHBondContact NE-OD1 2.91Å; R342-D351 IonicContact NE-OD2 3.01Å; R342-D351 PolarHBondContact NE-OD2 3.02Å; R342-D351 PolarHBondContact NH2-O 3Å; R342-D351 IonicContact NH2-OD1 3.23Å; R342-D351 PolarHBondContact NH2-OD1 3.22Å; R342-D351 IonicContact NH2-OD2 3.37Å; R342-D351 PolarHBondContact NH2-OD2 3.24Å; Q343-D351 WeakPolarHBondContact O-CA 3.32Å; L344-D351 HydrophobicContact CD1-CB 3.98Å
352	T	87.7	Confident	79.6	Confident	38 Å²	38	58 Å²	58	23%	0.233	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.4	180	51.9	0	0	0	0	112	R342 Q343 K350	R342-T352 CarbonylContact C-O 3.59Å; R342-T352 VanDerWaalsContact CA-O 3.25Å; R342-T352 WeakPolarHBondContact CA-O 3.39Å; Q343-T352 PolarHBondContact N-O 2.96Å; Q343-T352 PolarHBondContact O-N 3.42Å; Q343-T352 PolarHBondContact O-OG1 3.03Å; K350-T352 HydrophobicContact CD-CG2 4.32Å; K350-T352 HydrophobicContact CG-CG2 4.21Å
353	A	86.8	Confident	78.6	Confident	11 Å²	11	58.7 Å²	58.7	9%	0.091	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	133.5	163.5	0	0	0	0	0	109	P405	A353-P405 HydrophobicContact CB-CG 4.12Å
354	V	84.6	Confident	77.9	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-38.9	-174	-172.5	0	0	0	0	112.3	L341 Q343 I396	L341-V354 PolarHBondContact O-N 2.91Å; Q343-V354 HydrophobicContact CB-CG2 3.49Å; Q343-V354 VanDerWaalsContact CB-CG2 3.49Å; V354-I396 HydrophobicContact CG1-CG2 3.45Å; V354-I396 VanDerWaalsContact CG1-CG2 3.45Å
355	M	84.7	Confident	77.7	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.5	176.2	59.9	168.5	67.2	0	0	111.1	F340 L341 L357 Y394 S395 I396 P408	F340-M355 WeakPolarHBondContact CA-O 3.48Å; L341-M355 HydrophobicContact CB-CG 3.51Å; L341-M355 HydrophobicContact CB-SD 4.23Å; L341-M355 HydrophobicContact CD2-CE 4.08Å; L341-M355 HydrophobicContact CD2-CG 3.93Å; L341-M355 HydrophobicContact CD2-SD 3.93Å; L341-M355 HydrophobicContact CG-CG 4.36Å; L341-M355 PolarHBondContact N-O 3.05Å; M355-L357 HydrophobicContact CG-CD2 4.27Å; M355-L357 HydrophobicContact SD-CD2 3.8Å; M355-Y394 HydrophobicContact SD-CD1 4.32Å; M355-Y394 HydrophobicContact SD-CG 4.25Å; M355-S395 WeakPolarHBondContact CE-O 3.49Å; M355-I396 VanDerWaalsContact CE-CA 3.5Å; M355-I396 HydrophobicContact CE-CB 3.99Å; M355-I396 HydrophobicContact CE-CG1 3.79Å; M355-I396 HydrophobicContact CE-CG2 4.21Å; M355-P408 HydrophobicContact CB-CG 4.04Å; M355-P408 HydrophobicContact CE-CG 4.02Å; M355-P408 HydrophobicContact SD-CG 3.83Å
356	Q	85	Confident	77.6	Confident	75 Å²	75	60.7 Å²	60.7	35%	0.35	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.8	166.4	-165.1	176.5	47.6	0	0	110.7	F340 D406 A407	F340-Q356 HydrophobicContact CD1-CB 4.07Å; F340-Q356 HydrophobicContact CD1-CG 4.13Å; F340-Q356 HydrophobicContact CE1-CB 3.85Å; F340-Q356 HydrophobicContact CE1-CG 3.72Å; F340-Q356 HydrophobicContact CZ-CG 4.23Å; Q356-D406 PolarHBondContact N-O 3.07Å; Q356-A407 HydrophobicContact CB-CB 4.42Å
357	L	82.6	Confident	77.7	Confident	15 Å²	15	62.4 Å²	62.4	8%	0.079	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-85.5	149.2	178.9	-58.1	175.3	0	0	0	110.9	V336 R339 L341 M355 S359 L379 Y394	V336-L357 HydrophobicContact CB-CD1 4.44Å; V336-L357 HydrophobicContact CG1-CD1 3.61Å; V336-L357 HydrophobicContact CG2-CD1 3.98Å; R339-L357 WeakPolarHBondContact O-CB 3.19Å; R339-L357 PolarHBondContact O-N 2.59Å; L341-L357 HydrophobicContact CB-CD2 4.39Å; M355-L357 HydrophobicContact CG-CD2 4.27Å; M355-L357 HydrophobicContact SD-CD2 3.8Å; L357-S359 PolarHBondContact O-N 3.08Å; L357-S359 VanDerWaalsContact O-N 3.14Å; L357-L379 HydrophobicContact CD1-CD1 3.65Å; L357-L379 HydrophobicContact CD2-CD1 3.7Å; L357-L379 HydrophobicContact CG-CD1 4.3Å; L357-Y394 HydrophobicContact CD2-CD2 4.11Å; L357-Y394 HydrophobicContact CD2-CE1 4.4Å; L357-Y394 HydrophobicContact CD2-CE2 3.93Å; L357-Y394 HydrophobicContact CD2-CG 4.44Å
358	R	73.6	Confident	78	Confident	139 Å²	139	58.9 Å²	58.9	53%	0.525	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-57.5	118.4	-177.3	-172.4	-175.4	-66.5	-152.5	0.9	112.1	G360 Y394 G410	R358-G360 VanDerWaalsContact C-N 3.31Å; R358-G360 PolarHBondContact O-N 3.24Å; R358-Y394 VanDerWaalsContact CB-OH 3.31Å; R358-Y394 WeakPolarHBondContact CB-OH 3.32Å; R358-Y394 PolarHBondContact N-OH 3.25Å; R358-G410 PolarHBondContact NH2-O 3.38Å
359	S	55.2	Low	78.3	Confident	78 Å²	78	56.5 Å²	56.5	55%	0.545	31%	0.307	S	S	.	.	S	Bend	trans	-69	80.5	173.3	179.6	0	0	0	0	111.9	R339 L357	R339-S359 VanDerWaalsContact CZ-OG 3.24Å; R339-S359 PolarHBondContact NH1-OG 3.35Å; L357-S359 PolarHBondContact O-N 3.08Å; L357-S359 VanDerWaalsContact O-N 3.14Å
360	G	52.3	Low	78.7	Confident	48 Å²	48	54.7 Å²	54.7	50%	0.495	29%	0.29	S	S	.	.			trans	-165.4	9.8	-179.3	0	0	0	0	0	116.8	R358 R412	R358-G360 VanDerWaalsContact C-N 3.31Å; R358-G360 PolarHBondContact O-N 3.24Å; G360-R412 PolarHBondContact O-NH1 2.96Å; G360-R412 VanDerWaalsContact O-NH1 3.16Å
361	S	55	Low	78.9	Confident	46 Å²	46	48.7 Å²	48.7	32%	0.322	26%	0.264	S	S	.	.			trans	-97.8	122.7	167	-179.9	0	0	0	0	109.1	F363	S361-F363 PolarHBondContact O-N 3.16Å; S361-F363 PolarHBondContact OG-N 2.71Å; S361-F363 VanDerWaalsContact OG-N 3.12Å; S361-F363 PolarHBondContact OG-O 2.89Å
362	K	60.1	Low	78.8	Confident	185 Å²	185	49.1 Å²	49.1	80%	0.804	27%	0.27	S	S	*	.	S	Bend	trans	-70	-7.2	169	-66.7	-176.5	-179.7	178.4	0	112.8
363	F	68.6	Low	78.6	Confident	72 Å²	72	49.4 Å²	49.4	32%	0.316	28%	0.276	S	S	.	.	S	Bend	trans	-121.1	141.4	-173.4	-55.4	-74.7	0	0	0	111	S361 A383	S361-F363 PolarHBondContact O-N 3.16Å; S361-F363 PolarHBondContact OG-N 2.71Å; S361-F363 VanDerWaalsContact OG-N 3.12Å; S361-F363 PolarHBondContact OG-O 2.89Å; F363-A383 HydrophobicContact CD2-CB 3.69Å; F363-A383 HydrophobicContact CE1-CB 4.33Å; F363-A383 HydrophobicContact CE2-CB 3.37Å; F363-A383 HydrophobicContact CG-CB 4.31Å; F363-A383 HydrophobicContact CZ-CB 3.73Å
364	P	75.1	Confident	78.4	Confident	62 Å²	62	52.2 Å²	52.2	40%	0.403	29%	0.287	S	S	.	.			trans	-64.4	151.4	175.9	27.5	-34.9	0	0	0	111.5	F366	P364-F366 PolarHBondContact O-N 2.93Å
365	V	84.4	Confident	78.5	Confident	27 Å²	27	53.7 Å²	53.7	16%	0.164	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127	177.2	-175.6	0	0	0	0	109.9	R321 A325 V336 S367 L379 T381	R321-V365 PolarHBondContact NH1-O 3.3Å; A325-V365 HydrophobicContact CB-CB 4.01Å; A325-V365 HydrophobicContact CB-CG1 3.59Å; V336-V365 HydrophobicContact CG1-CG2 4.06Å; V365-S367 WeakPolarHBondContact CG1-O 3.48Å; V365-L379 HydrophobicContact CG1-CB 4.13Å; V365-L379 HydrophobicContact CG1-CD2 4.22Å; V365-T381 HydrophobicContact CG2-CG2 4.31Å
366	F	85.9	Confident	78.7	Confident	39 Å²	39	53.8 Å²	53.8	17%	0.171	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-50.9	-176.2	-177.5	-97.2	0	0	0	111.5	R321 P364 C380 R382	R321-F366 PolarHBondContact NH1-O 2.9Å; R321-F366 PolarHBondContact NH2-O 3.4Å; P364-F366 PolarHBondContact O-N 2.93Å; F366-C380 WeakPolarHBondContact CA-O 3.2Å; F366-C380 WeakPolarHBondContact CB-O 3.34Å; F366-C380 PolarHBondContact N-O 2.84Å; F366-R382 HydrophobicContact CB-CB 3.87Å; F366-R382 HydrophobicContact CD2-CB 4.07Å; F366-R382 HydrophobicContact CG-CB 4Å
367	S	87.9	Confident	78.9	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161.6	-179.8	54.8	0	0	0	0	110.8	V365 C380	V365-S367 WeakPolarHBondContact CG1-O 3.48Å; S367-C380 PolarHBondContact N-O 3.04Å; S367-C380 PolarHBondContact O-N 3.31Å; S367-C380 WeakPolarHBondContact OG-CB 3.43Å
368	M	90.1	Very high	79.3	Confident	21 Å²	21	49.6 Å²	49.6	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	143.6	-178.2	176	165.6	129.9	0	0	109.7	A325 A327 Y334 V336 L341 V377 L378 L379	A325-M368 HydrophobicContact CB-CB 4.1Å; A327-M368 HydrophobicContact CB-CE 3.86Å; A327-M368 HydrophobicContact CB-CG 4.41Å; Y334-M368 VanDerWaalsContact O-CE 3.25Å; Y334-M368 WeakPolarHBondContact O-CE 3.41Å; V336-M368 HydrophobicContact CG2-SD 4.03Å; L341-M368 HydrophobicContact CD1-CE 3.95Å; L341-M368 HydrophobicContact CD1-SD 3.91Å; M368-V377 HydrophobicContact CE-CG1 4.37Å; M368-V377 HydrophobicContact CG-CG1 3.69Å; M368-V377 HydrophobicContact SD-CG1 3.94Å; M368-L378 CarbonylContact C-O 3.59Å; M368-L378 VanDerWaalsContact CA-O 3.31Å; M368-L378 WeakPolarHBondContact CA-O 3.14Å; M368-L379 HydrophobicContact CB-CD2 3.9Å; M368-L379 HydrophobicContact CG-CD2 3.59Å; M368-L379 HydrophobicContact SD-CD2 3.57Å; M368-L379 VanDerWaalsContact SD-CD2 3.57Å
369	S	90.1	Very high	80.1	Confident	24 Å²	24	43.2 Å²	43.2	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	118.6	175.2	-163.3	0	0	0	0	109.7	L378 W420	S369-L378 PolarHBondContact N-O 2.87Å; S369-L378 PolarHBondContact O-N 2.92Å; S369-W420 PolarHBondContact O-NE1 3.23Å
370	Y	90.3	Very high	81.7	Confident	34 Å²	34	39.6 Å²	39.6	13%	0.133	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.5	180	173.1	-115.3	0	0	0	110.9	H329 Y334 P372 N375 A376 V377 I396	H329-Y370 HydrophobicContact CB-CD1 3.7Å; H329-Y370 HydrophobicContact CB-CE1 3.8Å; Y334-Y370 HydrophobicContact CD2-CD1 4.21Å; Y334-Y370 HydrophobicContact CD2-CE1 4.34Å; Y334-Y370 HydrophobicContact CD2-CG 4.32Å; Y334-Y370 HydrophobicContact CE2-CD1 4.08Å; Y334-Y370 AromaticContact CE2-CE1 3.74Å; Y334-Y370 HydrophobicContact CE2-CE1 3.74Å; Y334-Y370 HydrophobicContact CE2-CE2 4.25Å; Y334-Y370 HydrophobicContact CE2-CG 4.46Å; Y334-Y370 AromaticContact CE2-CZ 3.82Å; Y370-P372 HydrophobicContact CE1-CB 3.91Å; Y370-N375 PolarHBondContact OH-OD1 2.92Å; Y370-A376 WeakPolarHBondContact CD2-O 3.46Å; Y370-V377 HydrophobicContact CD2-CG2 3.85Å; Y370-I396 HydrophobicContact CD2-CD1 4.17Å; Y370-I396 HydrophobicContact CE2-CD1 3.8Å
371	N	89.9	Confident	83.4	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.064	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.6	174.3	175.6	8.7	0	0	0	109.4	A373 N375 A376 W420 R423	N371-A373 VanDerWaalsContact C-N 3.33Å; N371-A373 PolarHBondContact O-N 2.89Å; N371-A373 PolarHBondContact OD1-N 2.87Å; N371-N375 WeakPolarHBondContact O-CA 3.46Å; N371-N375 PolarHBondContact O-N 2.89Å; N371-A376 PolarHBondContact N-O 2.89Å; N371-A376 PolarHBondContact O-N 2.72Å; N371-A376 VanDerWaalsContact O-N 3.1Å; N371-W420 HydrophobicContact CB-CD2 3.61Å; N371-W420 VanDerWaalsContact CB-CE2 3.44Å; N371-W420 HydrophobicContact CB-CE3 4.14Å; N371-W420 HydrophobicContact CB-CG 3.89Å; N371-W420 HydrophobicContact CB-CH2 4.4Å; N371-W420 HydrophobicContact CB-CZ2 3.88Å; N371-R423 PolarHBondContact ND2-O 3.27Å
372	P	84.5	Confident	84.6	Confident	62 Å²	62	38.9 Å²	38.9	40%	0.403	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.1	-175.6	30.1	-36.9	0	0	0	113.7	H329 Y370 E374	H329-P372 WeakPolarHBondContact NE2-CB 3.37Å; Y370-P372 HydrophobicContact CE1-CB 3.91Å; P372-E374 PolarHBondContact O-N 3.43Å
373	A	84.3	Confident	85.2	Confident	44 Å²	44	30.4 Å²	30.4	36%	0.364	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-31.3	-171	0	0	0	0	0	113.6	N371 R423	N371-A373 VanDerWaalsContact C-N 3.33Å; N371-A373 PolarHBondContact O-N 2.89Å; N371-A373 PolarHBondContact OD1-N 2.87Å; A373-R423 HydrophobicContact CB-CG 3.47Å; A373-R423 VanDerWaalsContact CB-CG 3.47Å
374	E	81.8	Confident	85.2	Confident	69 Å²	69	32.1 Å²	32.1	32%	0.322	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	13.6	-178.1	-54.3	-61.9	135.7	0	0	111.2	P372 A376 R423 N424 L440	P372-E374 PolarHBondContact O-N 3.43Å; E374-A376 VanDerWaalsContact C-N 3.33Å; E374-A376 PolarHBondContact O-N 3.27Å; E374-R423 IonicContact OE1-CZ 2.7Å; E374-R423 VanDerWaalsContact OE1-CZ 3.24Å; E374-R423 IonicContact OE1-NE 3.24Å; E374-R423 PolarHBondContact OE1-NE 2.91Å; E374-R423 IonicContact OE1-NH2 3.54Å; E374-R423 PolarHBondContact OE1-NH2 3.49Å; E374-N424 WeakPolarHBondContact CG-OD1 3.41Å; E374-N424 PolarHBondContact OE1-OD1 2.96Å; E374-L440 HydrophobicContact CB-CD1 4.38Å; E374-L440 HydrophobicContact CG-CD1 4.03Å
375	N	87.1	Confident	85.1	Confident	35 Å²	35	32.7 Å²	32.7	19%	0.187	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	49.6	-178.1	-158.2	23.4	0	0	0	113.2	Y370 N371 I396	Y370-N375 PolarHBondContact OH-OD1 2.92Å; N371-N375 WeakPolarHBondContact O-CA 3.46Å; N371-N375 PolarHBondContact O-N 2.89Å; N375-I396 PolarHBondContact ND2-O 2.9Å; N375-I396 VanDerWaalsContact ND2-O 3.09Å; N375-I396 WeakPolarHBondContact O-CB 3.48Å; N375-I396 WeakPolarHBondContact O-CG1 3.47Å; N375-I396 PolarHBondContact O-N 2.93Å
376	A	88.2	Confident	84.5	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.7	-169.7	0	0	0	0	0	113.1	Y370 N371 E374 L393 Y394 W420	Y370-A376 WeakPolarHBondContact CD2-O 3.46Å; N371-A376 PolarHBondContact N-O 2.89Å; N371-A376 PolarHBondContact O-N 2.72Å; N371-A376 VanDerWaalsContact O-N 3.1Å; E374-A376 VanDerWaalsContact C-N 3.33Å; E374-A376 PolarHBondContact O-N 3.27Å; A376-L393 HydrophobicContact CB-CD1 4.49Å; A376-Y394 CarbonylContact C-O 3.5Å; A376-Y394 WeakPolarHBondContact CA-O 3.21Å; A376-W420 HydrophobicContact CB-CH2 4.03Å; A376-W420 HydrophobicContact CB-CZ2 3.83Å
377	V	90.3	Very high	83.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.3	-177.6	-178.2	0	0	0	0	110.9	L341 M368 Y370 L379 Y394 I396	L341-V377 HydrophobicContact CD2-CG2 4.16Å; M368-V377 HydrophobicContact CE-CG1 4.37Å; M368-V377 HydrophobicContact CG-CG1 3.69Å; M368-V377 HydrophobicContact SD-CG1 3.94Å; Y370-V377 HydrophobicContact CD2-CG2 3.85Å; V377-L379 HydrophobicContact CG1-CD2 3.51Å; V377-L379 HydrophobicContact CG1-CG 3.93Å; V377-Y394 PolarHBondContact N-O 3.22Å; V377-Y394 PolarHBondContact O-N 2.93Å; V377-I396 HydrophobicContact CG2-CD1 3.68Å; V377-I396 HydrophobicContact CG2-CG1 3.9Å
378	L	90.9	Very high	83.4	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.8	164.8	-69.1	166.9	0	0	0	109.1	M368 S369 Y391 L393 A418 W420 F426	M368-L378 CarbonylContact C-O 3.59Å; M368-L378 VanDerWaalsContact CA-O 3.31Å; M368-L378 WeakPolarHBondContact CA-O 3.14Å; S369-L378 PolarHBondContact N-O 2.87Å; S369-L378 PolarHBondContact O-N 2.92Å; L378-Y391 HydrophobicContact CD2-CD2 3.98Å; L378-Y391 HydrophobicContact CD2-CE2 4.3Å; L378-L393 HydrophobicContact CD2-CB 3.98Å; L378-L393 HydrophobicContact CD2-CD1 3.79Å; L378-L393 HydrophobicContact CD2-CG 4.43Å; L378-L393 HydrophobicContact CG-CD1 4.33Å; L378-A418 HydrophobicContact CD1-CB 4.21Å; L378-A418 HydrophobicContact CD2-CB 4.41Å; L378-W420 HydrophobicContact CD1-CD2 3.92Å; L378-W420 HydrophobicContact CD1-CG 4.19Å; L378-W420 HydrophobicContact CD1-CZ2 3.95Å; L378-W420 HydrophobicContact CD2-CZ2 4.49Å; L378-W420 HydrophobicContact CG-CZ2 3.76Å; L378-F426 HydrophobicContact CD1-CB 3.71Å; L378-F426 HydrophobicContact CD1-CD2 4.04Å; L378-F426 HydrophobicContact CD1-CG 3.87Å; L378-F426 HydrophobicContact CD2-CD2 4.18Å; L378-F426 HydrophobicContact CD2-CE2 4.18Å; L378-F426 HydrophobicContact CD2-CG 4.4Å; L378-F426 HydrophobicContact CD2-CZ 4.39Å
379	L	89.8	Confident	83.2	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.9	173.9	-59.8	-176.5	0	0	0	109.4	V336 L357 V365 M368 V377 Y391 D392 Y394	V336-L379 HydrophobicContact CG2-CD1 4.19Å; V336-L379 HydrophobicContact CG2-CD2 3.8Å; L357-L379 HydrophobicContact CD1-CD1 3.65Å; L357-L379 HydrophobicContact CD2-CD1 3.7Å; L357-L379 HydrophobicContact CG-CD1 4.3Å; V365-L379 HydrophobicContact CG1-CB 4.13Å; V365-L379 HydrophobicContact CG1-CD2 4.22Å; M368-L379 HydrophobicContact CB-CD2 3.9Å; M368-L379 HydrophobicContact CG-CD2 3.59Å; M368-L379 HydrophobicContact SD-CD2 3.57Å; M368-L379 VanDerWaalsContact SD-CD2 3.57Å; V377-L379 HydrophobicContact CG1-CD2 3.51Å; V377-L379 HydrophobicContact CG1-CG 3.93Å; L379-Y391 CarbonylContact O-C 3.59Å; L379-Y391 VanDerWaalsContact O-CA 3.24Å; L379-Y391 WeakPolarHBondContact O-CA 3.45Å; L379-D392 PolarHBondContact N-O 2.95Å; L379-D392 PolarHBondContact O-N 2.92Å; L379-Y394 HydrophobicContact CD1-CD2 4.01Å; L379-Y394 HydrophobicContact CD1-CE2 3.94Å; L379-Y394 HydrophobicContact CG-CD2 4.37Å
380	C	89.4	Confident	83.2	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.02	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.8	176.3	-60.1	0	0	0	0	110.1	F366 S367 A418	F366-C380 WeakPolarHBondContact CA-O 3.2Å; F366-C380 WeakPolarHBondContact CB-O 3.34Å; F366-C380 PolarHBondContact N-O 2.84Å; S367-C380 PolarHBondContact N-O 3.04Å; S367-C380 PolarHBondContact O-N 3.31Å; S367-C380 WeakPolarHBondContact OG-CB 3.43Å; C380-A418 PolarHBondContact SG-N 3.37Å
381	T	87.1	Confident	83.2	Confident	8 Å²	8	39.9 Å²	39.9	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.2	175.4	49.7	0	0	0	0	109.8	V365 S389 T390	V365-T381 HydrophobicContact CG2-CG2 4.31Å; T381-S389 WeakPolarHBondContact O-CA 3.43Å; T381-T390 PolarHBondContact N-O 2.86Å; T381-T390 PolarHBondContact O-N 2.82Å; T381-T390 VanDerWaalsContact O-N 3.09Å; T381-T390 VanDerWaalsContact O-O 3.08Å; T381-T390 PolarHBondContact OG1-O 3.3Å; T381-T390 PolarHBondContact OG1-OG1 2.84Å
382	R	80.3	Confident	83.1	Confident	71 Å²	71	39.7 Å²	39.7	27%	0.268	22%	0.217	S	C	.	.			trans	-110.9	117.9	-174.4	-166.4	176.3	-169.2	155.2	5.7	110.7	F366 L386 E455	F366-R382 HydrophobicContact CB-CB 3.87Å; F366-R382 HydrophobicContact CD2-CB 4.07Å; F366-R382 HydrophobicContact CG-CB 4Å; R382-L386 HydrophobicContact CG-CD2 4.13Å; R382-E455 IonicContact CZ-OE1 3.17Å; R382-E455 IonicContact NH1-OE1 3.05Å; R382-E455 PolarHBondContact NH1-OE1 3.21Å; R382-E455 IonicContact NH2-OE1 3.78Å
383	A	73.8	Confident	83.4	Confident	7 Å²	7	37.2 Å²	37.2	6%	0.058	20%	0.2	C	C	.	.			trans	-83.6	166.1	177.5	0	0	0	0	0	111.9	F363 N385 N388	F363-A383 HydrophobicContact CD2-CB 3.69Å; F363-A383 HydrophobicContact CE1-CB 4.33Å; F363-A383 HydrophobicContact CE2-CB 3.37Å; F363-A383 HydrophobicContact CG-CB 4.31Å; F363-A383 HydrophobicContact CZ-CB 3.73Å; A383-N385 CarbonylContact C-O 3.54Å; A383-N385 WeakPolarHBondContact CB-O 3.24Å; A383-N388 HydrophobicContact CB-CB 3.65Å
384	T	67.9	Low	83.6	Confident	107 Å²	107	35.3 Å²	35.3	66%	0.656	18%	0.184	S	C	*	.	S	Bend	trans	-64.7	-42.6	177.6	-48	0	0	0	0	112.1
385	N	72.9	Confident	83.8	Confident	75 Å²	75	35.8 Å²	35.8	40%	0.401	20%	0.195	S	C	.	.	S	Bend	trans	-82.6	121.3	159	179.5	-0.5	0	0	0	107.6	A383 E387 N388	A383-N385 CarbonylContact C-O 3.54Å; A383-N385 WeakPolarHBondContact CB-O 3.24Å; N385-E387 PolarHBondContact ND2-OE2 2.77Å; N385-E387 PolarHBondContact O-N 2.85Å; N385-E387 WeakPolarHBondContact OD1-CG 3.45Å; N385-E387 PolarHBondContact OD1-N 2.78Å; N385-E387 VanDerWaalsContact OD1-N 3.11Å; N385-E387 PolarHBondContact OD1-OE2 3.33Å; N385-N388 PolarHBondContact O-N 2.83Å; N385-N388 VanDerWaalsContact O-N 3.08Å
386	L	72.6	Confident	83.6	Confident	82 Å²	82	34.7 Å²	34.7	43%	0.429	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59.2	-30.8	-177.2	-66.4	175.8	0	0	0	112.9	R382 N388 S389 L416	R382-L386 HydrophobicContact CG-CD2 4.13Å; L386-N388 PolarHBondContact O-N 2.94Å; L386-S389 WeakPolarHBondContact O-CB 3.42Å; L386-S389 PolarHBondContact O-N 3.32Å; L386-S389 PolarHBondContact O-OG 2.93Å; L386-L416 HydrophobicContact CB-CD2 4.09Å; L386-L416 WeakPolarHBondContact O-CD2 3.35Å
387	E	71.4	Confident	83.2	Confident	118 Å²	118	36.8 Å²	36.8	55%	0.551	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-59.1	-34.9	177.2	-60.7	173.6	142.2	0	0	111.8	N385 S389 R431	N385-E387 PolarHBondContact ND2-OE2 2.77Å; N385-E387 PolarHBondContact O-N 2.85Å; N385-E387 WeakPolarHBondContact OD1-CG 3.45Å; N385-E387 PolarHBondContact OD1-N 2.78Å; N385-E387 VanDerWaalsContact OD1-N 3.11Å; N385-E387 PolarHBondContact OD1-OE2 3.33Å; E387-S389 PolarHBondContact O-N 3.22Å; E387-S389 VanDerWaalsContact O-N 3.16Å; E387-R431 PolarHBondContact O-NE 3.38Å; E387-R431 PolarHBondContact O-NH2 2.98Å
388	N	79.4	Confident	82.2	Confident	103 Å²	103	46.3 Å²	46.3	55%	0.551	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-80.5	12.6	179	-70.4	-26.1	0	0	0	113.5	A383 N385 L386	A383-N388 HydrophobicContact CB-CB 3.65Å; N385-N388 PolarHBondContact O-N 2.83Å; N385-N388 VanDerWaalsContact O-N 3.08Å; L386-N388 PolarHBondContact O-N 2.94Å
389	S	85.6	Confident	80.9	Confident	1 Å²	1	55 Å²	55	1%	0.007	28%	0.284	C	S	.	.			trans	-74.6	140.5	173.7	-51.8	0	0	0	0	111.7	T381 L386 E387 G415	T381-S389 WeakPolarHBondContact O-CA 3.43Å; L386-S389 WeakPolarHBondContact O-CB 3.42Å; L386-S389 PolarHBondContact O-N 3.32Å; L386-S389 PolarHBondContact O-OG 2.93Å; E387-S389 PolarHBondContact O-N 3.22Å; E387-S389 VanDerWaalsContact O-N 3.16Å; S389-G415 CarbonylContact C-O 3.6Å; S389-G415 PolarHBondContact O-N 3.41Å
390	T	89	Confident	79.3	Confident	32 Å²	32	57.4 Å²	57.4	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.4	-179.9	49.3	0	0	0	0	110.3	T381 R412 S413	T381-T390 PolarHBondContact N-O 2.86Å; T381-T390 PolarHBondContact O-N 2.82Å; T381-T390 VanDerWaalsContact O-N 3.09Å; T381-T390 VanDerWaalsContact O-O 3.08Å; T381-T390 PolarHBondContact OG1-O 3.3Å; T381-T390 PolarHBondContact OG1-OG1 2.84Å; T390-R412 HydrophobicContact CG2-CG 4.39Å; T390-S413 CarbonylContact C-O 3.56Å; T390-S413 VanDerWaalsContact CA-O 3.31Å; T390-S413 WeakPolarHBondContact CA-O 3.36Å; T390-S413 WeakPolarHBondContact CB-O 3.42Å
391	Y	90.3	Very high	77.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.7	164	71.7	-83.7	0	0	0	110.3	L378 L379 S413 S414 A418 F426 V428 K438 N442	L378-Y391 HydrophobicContact CD2-CD2 3.98Å; L378-Y391 HydrophobicContact CD2-CE2 4.3Å; L379-Y391 CarbonylContact O-C 3.59Å; L379-Y391 VanDerWaalsContact O-CA 3.24Å; L379-Y391 WeakPolarHBondContact O-CA 3.45Å; Y391-S413 WeakPolarHBondContact CE1-OG 3.43Å; Y391-S413 PolarHBondContact N-O 2.87Å; Y391-S413 PolarHBondContact O-N 3.46Å; Y391-S413 PolarHBondContact OH-OG 2.9Å; Y391-S414 WeakPolarHBondContact CE1-O 3.45Å; Y391-A418 HydrophobicContact CD1-CB 4.25Å; Y391-A418 HydrophobicContact CD2-CB 3.97Å; Y391-A418 HydrophobicContact CG-CB 3.8Å; Y391-F426 AromaticContact CE2-CE2 3.61Å; Y391-F426 HydrophobicContact CE2-CE2 3.61Å; Y391-F426 HydrophobicContact CE2-CZ 4.06Å; Y391-F426 AromaticContact CZ-CE2 3.91Å; Y391-V428 HydrophobicContact CD1-CG1 4.02Å; Y391-V428 HydrophobicContact CD1-CG2 4.49Å; Y391-V428 HydrophobicContact CE1-CB 4.31Å; Y391-V428 HydrophobicContact CE1-CG1 3.53Å; Y391-V428 HydrophobicContact CE1-CG2 3.75Å; Y391-V428 HydrophobicContact CE2-CG2 4.29Å; Y391-K438 VanDerWaalsContact OH-CD 3.24Å; Y391-K438 WeakPolarHBondContact OH-CD 3.44Å; Y391-K438 WeakPolarHBondContact OH-CE 3.33Å; Y391-K438 PolarHBondContact OH-NZ 3.21Å; Y391-N442 PolarHBondContact OH-OD1 3.36Å
392	D	88.9	Confident	76.7	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.037	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.4	174.6	-65.6	-8.7	0	0	0	108.8	L379 Y394 K411 R412	L379-D392 PolarHBondContact N-O 2.95Å; L379-D392 PolarHBondContact O-N 2.92Å; D392-Y394 HydrophobicContact CB-CD2 4.01Å; D392-Y394 HydrophobicContact CB-CE2 3.37Å; D392-Y394 PolarHBondContact OD2-OH 2.98Å; D392-K411 WeakPolarHBondContact CA-O 3.37Å; D392-R412 VanDerWaalsContact OD1-CB 3.22Å; D392-R412 WeakPolarHBondContact OD1-CB 3.48Å; D392-R412 WeakPolarHBondContact OD1-CG 3.48Å; D392-R412 IonicContact OD1-CZ 2.71Å; D392-R412 IonicContact OD1-NE 2.69Å; D392-R412 PolarHBondContact OD1-NE 3.19Å; D392-R412 IonicContact OD1-NH2 2.93Å; D392-R412 IonicContact OD2-CZ 3.89Å; D392-R412 IonicContact OD2-NE 2.83Å; D392-R412 PolarHBondContact OD2-NE 3.27Å; D392-R412 IonicContact OD2-NH2 3.23Å; D392-R412 PolarHBondContact OD2-NH2 3.21Å
393	L	89.9	Confident	75.7	Confident	10 Å²	10	69.3 Å²	69.3	5%	0.052	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	122.5	169.7	171.9	63.5	0	0	0	109.1	A376 L378 G410 K411 W420 F426 L440	A376-L393 HydrophobicContact CB-CD1 4.49Å; L378-L393 HydrophobicContact CD2-CB 3.98Å; L378-L393 HydrophobicContact CD2-CD1 3.79Å; L378-L393 HydrophobicContact CD2-CG 4.43Å; L378-L393 HydrophobicContact CG-CD1 4.33Å; L393-G410 WeakPolarHBondContact O-CA 3.45Å; L393-K411 HydrophobicContact CB-CB 4.4Å; L393-K411 PolarHBondContact N-O 3.41Å; L393-K411 PolarHBondContact O-N 3.34Å; L393-W420 HydrophobicContact CD1-CH2 3.86Å; L393-W420 HydrophobicContact CD1-CZ2 3.88Å; L393-F426 HydrophobicContact CD2-CE1 3.97Å; L393-F426 HydrophobicContact CD2-CZ 4.26Å; L393-L440 WeakPolarHBondContact CD2-O 3.13Å
394	Y	88.4	Confident	75.1	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.016	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.8	174.3	-66.8	-85.8	0	0	0	110.4	M355 L357 R358 A376 V377 L379 D392 P408 G410	M355-Y394 HydrophobicContact SD-CD1 4.32Å; M355-Y394 HydrophobicContact SD-CG 4.25Å; L357-Y394 HydrophobicContact CD2-CD2 4.11Å; L357-Y394 HydrophobicContact CD2-CE1 4.4Å; L357-Y394 HydrophobicContact CD2-CE2 3.93Å; L357-Y394 HydrophobicContact CD2-CG 4.44Å; R358-Y394 VanDerWaalsContact CB-OH 3.31Å; R358-Y394 WeakPolarHBondContact CB-OH 3.32Å; R358-Y394 PolarHBondContact N-OH 3.25Å; A376-Y394 CarbonylContact C-O 3.5Å; A376-Y394 WeakPolarHBondContact CA-O 3.21Å; V377-Y394 PolarHBondContact N-O 3.22Å; V377-Y394 PolarHBondContact O-N 2.93Å; L379-Y394 HydrophobicContact CD1-CD2 4.01Å; L379-Y394 HydrophobicContact CD1-CE2 3.94Å; L379-Y394 HydrophobicContact CG-CD2 4.37Å; D392-Y394 HydrophobicContact CB-CD2 4.01Å; D392-Y394 HydrophobicContact CB-CE2 3.37Å; D392-Y394 PolarHBondContact OD2-OH 2.98Å; Y394-P408 HydrophobicContact CD1-CG 3.98Å; Y394-G410 VanDerWaalsContact CD1-CA 3.49Å
395	S	86	Confident	74.9	Confident	80 Å²	80	71.1 Å²	71.1	56%	0.559	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.2	165.3	-56.8	0	0	0	0	108.5	M355	M355-S395 WeakPolarHBondContact CE-O 3.49Å
396	I	84.5	Confident	74.5	Confident	12 Å²	12	73.7 Å²	73.7	6%	0.062	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-83.6	124.4	177.2	-50.2	-176.5	0	0	0	109	Y334 L341 V354 M355 Y370 N375 V377	Y334-I396 HydrophobicContact CD1-CD1 4.24Å; Y334-I396 HydrophobicContact CE1-CD1 3.97Å; L341-I396 HydrophobicContact CD2-CD1 3.93Å; L341-I396 HydrophobicContact CD2-CG1 4.14Å; V354-I396 HydrophobicContact CG1-CG2 3.45Å; V354-I396 VanDerWaalsContact CG1-CG2 3.45Å; M355-I396 VanDerWaalsContact CE-CA 3.5Å; M355-I396 HydrophobicContact CE-CB 3.99Å; M355-I396 HydrophobicContact CE-CG1 3.79Å; M355-I396 HydrophobicContact CE-CG2 4.21Å; Y370-I396 HydrophobicContact CD2-CD1 4.17Å; Y370-I396 HydrophobicContact CE2-CD1 3.8Å; N375-I396 PolarHBondContact ND2-O 2.9Å; N375-I396 VanDerWaalsContact ND2-O 3.09Å; N375-I396 WeakPolarHBondContact O-CB 3.48Å; N375-I396 WeakPolarHBondContact O-CG1 3.47Å; N375-I396 PolarHBondContact O-N 2.93Å; V377-I396 HydrophobicContact CG2-CD1 3.68Å; V377-I396 HydrophobicContact CG2-CG1 3.9Å
397	P	78.4	Confident	74.1	Confident	46 Å²	46	73.1 Å²	73.1	30%	0.299	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-53.7	147.5	171.4	-26	35.5	0	0	0	112.2	E399	P397-E399 WeakPolarHBondContact CB-O 3.28Å
398	K	70.6	Confident	74	Confident	201 Å²	201	69.1 Å²	69.1	87%	0.874	38%	0.381	S	S	*	.	S	Bend	trans	-81.4	-27.7	174.1	-69.4	-175.5	178.8	179.8	0	112.5
399	E	61.8	Low	73.4	Confident	182 Å²	182	73.2 Å²	73.2	85%	0.85	40%	0.397	S	S	*	.	S	Bend	trans	-117.3	129.8	171.3	-67.2	173.3	-178.6	0	0	106.8	P397	P397-E399 WeakPolarHBondContact CB-O 3.28Å
400	S	57.8	Low	72.8	Confident	57 Å²	57	73.4 Å²	73.4	40%	0.399	40%	0.399	S	S	.	.			trans	-143.3	120.1	-180	61.8	0	0	0	0	109.1	S402	S400-S402 PolarHBondContact O-N 2.97Å
401	D	60.1	Low	72.6	Confident	96 Å²	96	76.4 Å²	76.4	51%	0.513	41%	0.409	S	S	.	.			trans	-69.6	119.1	169.6	-174	-5.1	0	0	0	109.3	Q403 N404	D401-Q403 PolarHBondContact O-N 2.95Å; D401-Q403 PolarHBondContact OD1-N 2.86Å; D401-N404 CarbonylContact O-C 3.53Å; D401-N404 VanDerWaalsContact O-C 3.32Å
402	S	61.6	Low	72.4	Confident	72 Å²	72	80.2 Å²	80.2	50%	0.503	42%	0.424	S	S	.	.	S	Bend	trans	-67.9	-16.3	178.9	61.9	0	0	0	0	114.1	S400	S400-S402 PolarHBondContact O-N 2.97Å
403	Q	59	Low	72.4	Confident	164 Å²	164	80.9 Å²	80.9	77%	0.766	43%	0.429	S	S	*	.	S	Bend	trans	-86.2	-40.3	177.2	-61.1	-168.8	6.8	0	0	112.2	D401	D401-Q403 PolarHBondContact O-N 2.95Å; D401-Q403 PolarHBondContact OD1-N 2.86Å
404	N	60.1	Low	72.2	Confident	133 Å²	133	82.7 Å²	82.7	71%	0.711	44%	0.443	S	S	*	.	S	Bend	trans	-129.1	82.9	175.1	-90.6	-30	0	0	0	110.7	D401 D406	D401-N404 CarbonylContact O-C 3.53Å; D401-N404 VanDerWaalsContact O-C 3.32Å; N404-D406 PolarHBondContact O-N 3.49Å
405	P	64.4	Low	72.1	Confident	18 Å²	18	82.6 Å²	82.6	12%	0.117	44%	0.442	C	S	.	.			trans	-72.5	118.4	178.5	28.7	-34.7	0	0	0	111	F340 A353	F340-P405 HydrophobicContact CD1-CG 4.01Å; F340-P405 HydrophobicContact CE1-CG 3.89Å; A353-P405 HydrophobicContact CB-CG 4.12Å
406	D	64.4	Low	72	Confident	130 Å²	130	79.8 Å²	79.8	70%	0.695	42%	0.421	S	S	*	.			trans	-53.1	157.6	179.2	-80.1	-41.2	0	0	0	113.9	Q356 N404 P408	Q356-D406 PolarHBondContact N-O 3.07Å; N404-D406 PolarHBondContact O-N 3.49Å; D406-P408 WeakPolarHBondContact O-CD 3.36Å
407	A	64.2	Low	72.2	Confident	69 Å²	69	79.6 Å²	79.6	57%	0.57	42%	0.421	S	S	*	.			trans	-100	87.3	174.7	0	0	0	0	0	111	Q356	Q356-A407 HydrophobicContact CB-CB 4.42Å
408	P	68.9	Low	72.8	Confident	34 Å²	34	77.6 Å²	77.6	22%	0.221	41%	0.408	C	S	.	.			trans	-64.6	153.7	-176.2	24.6	-35.5	0	0	0	113.7	M355 Y394 D406 G410	M355-P408 HydrophobicContact CB-CG 4.04Å; M355-P408 HydrophobicContact CE-CG 4.02Å; M355-P408 HydrophobicContact SD-CG 3.83Å; Y394-P408 HydrophobicContact CD1-CG 3.98Å; D406-P408 WeakPolarHBondContact O-CD 3.36Å; P408-G410 VanDerWaalsContact C-N 3.3Å; P408-G410 PolarHBondContact O-N 2.91Å
409	E	67.9	Low	73.8	Confident	189 Å²	189	68.8 Å²	68.8	88%	0.883	37%	0.371	S	S	*	.			trans	-67	80	175.2	-68.7	-160	143.8	0	0	112.9
410	G	72.9	Confident	75.2	Confident	5 Å²	5	60.6 Å²	60.6	5%	0.052	33%	0.332	C	S	.	.			trans	-67.3	129.9	174.2	0	0	0	0	0	112.9	R358 L393 Y394 P408	R358-G410 PolarHBondContact NH2-O 3.38Å; L393-G410 WeakPolarHBondContact O-CA 3.45Å; Y394-G410 VanDerWaalsContact CD1-CA 3.49Å; P408-G410 VanDerWaalsContact C-N 3.3Å; P408-G410 PolarHBondContact O-N 2.91Å
411	K	84.1	Confident	76.7	Confident	95 Å²	95	58.3 Å²	58.3	41%	0.413	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	105	174.5	-68.9	-178.8	176.5	-178.3	0	110.5	D392 L393 K441 N442	D392-K411 WeakPolarHBondContact CA-O 3.37Å; L393-K411 HydrophobicContact CB-CB 4.4Å; L393-K411 PolarHBondContact N-O 3.41Å; L393-K411 PolarHBondContact O-N 3.34Å; K411-K441 PolarHBondContact NZ-O 3.02Å; K411-N442 HydrophobicContact CD-CB 4.23Å
412	R	86.2	Confident	78	Confident	80 Å²	80	55.5 Å²	55.5	30%	0.302	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	138.3	175.9	179.5	165.2	-66.5	175.8	2.4	111.8	G360 T390 D392	G360-R412 PolarHBondContact O-NH1 2.96Å; G360-R412 VanDerWaalsContact O-NH1 3.16Å; T390-R412 HydrophobicContact CG2-CG 4.39Å; D392-R412 VanDerWaalsContact OD1-CB 3.22Å; D392-R412 WeakPolarHBondContact OD1-CB 3.48Å; D392-R412 WeakPolarHBondContact OD1-CG 3.48Å; D392-R412 IonicContact OD1-CZ 2.71Å; D392-R412 IonicContact OD1-NE 2.69Å; D392-R412 PolarHBondContact OD1-NE 3.19Å; D392-R412 IonicContact OD1-NH2 2.93Å; D392-R412 IonicContact OD2-CZ 3.89Å; D392-R412 IonicContact OD2-NE 2.83Å; D392-R412 PolarHBondContact OD2-NE 3.27Å; D392-R412 IonicContact OD2-NH2 3.23Å; D392-R412 PolarHBondContact OD2-NH2 3.21Å
413	S	88	Confident	79.1	Confident	22 Å²	22	59.6 Å²	59.6	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	165.5	169.1	42	0	0	0	0	112.8	T390 Y391 N442	T390-S413 CarbonylContact C-O 3.56Å; T390-S413 VanDerWaalsContact CA-O 3.31Å; T390-S413 WeakPolarHBondContact CA-O 3.36Å; T390-S413 WeakPolarHBondContact CB-O 3.42Å; Y391-S413 WeakPolarHBondContact CE1-OG 3.43Å; Y391-S413 PolarHBondContact N-O 2.87Å; Y391-S413 PolarHBondContact O-N 3.46Å; Y391-S413 PolarHBondContact OH-OG 2.9Å; S413-N442 PolarHBondContact OG-ND2 3.24Å
414	S	86.9	Confident	80.5	Confident	48 Å²	48	55.3 Å²	55.3	34%	0.336	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.8	177.8	51.7	0	0	0	0	112.5	Y391	Y391-S414 WeakPolarHBondContact CE1-O 3.45Å
415	G	85.8	Confident	82	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.01	28%	0.283	C	S	.	.			trans	170.1	147.1	175.1	0	0	0	0	0	111.1	S389	S389-G415 CarbonylContact C-O 3.6Å; S389-G415 PolarHBondContact O-N 3.41Å
416	L	85	Confident	83.3	Confident	21 Å²	21	54.7 Å²	54.7	11%	0.11	28%	0.278	C	S	.	.	S	Bend	trans	-77.3	-46.1	-179.7	-69.6	171.8	0	0	0	111.7	L386 L429	L386-L416 HydrophobicContact CB-CD2 4.09Å; L386-L416 WeakPolarHBondContact O-CD2 3.35Å; L416-L429 HydrophobicContact CB-CD2 4.46Å; L416-L429 HydrophobicContact CD1-CD2 4.24Å; L416-L429 HydrophobicContact CD1-CG 4.31Å; L416-L429 PolarHBondContact N-O 2.93Å
417	T	87.6	Confident	84.6	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.4	178.6	41.8	0	0	0	0	109.7	V428 L429 E455 I456	T417-V428 WeakPolarHBondContact O-CA 3.33Å; T417-L429 PolarHBondContact O-N 3.05Å; T417-E455 HydrophobicContact CG2-CB 4.47Å; T417-E455 HydrophobicContact CG2-CG 4.24Å; T417-I456 WeakPolarHBondContact OG1-CG1 3.24Å; T417-I456 PolarHBondContact OG1-N 3.26Å
418	A	91.1	Very high	85.9	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	131.8	177.8	0	0	0	0	0	110.4	L378 C380 Y391 A427 V428	L378-A418 HydrophobicContact CD1-CB 4.21Å; L378-A418 HydrophobicContact CD2-CB 4.41Å; C380-A418 PolarHBondContact SG-N 3.37Å; Y391-A418 HydrophobicContact CD1-CB 4.25Å; Y391-A418 HydrophobicContact CD2-CB 3.97Å; Y391-A418 HydrophobicContact CG-CB 3.8Å; A418-A427 CarbonylContact C-O 3.6Å; A418-A427 VanDerWaalsContact CA-O 3.28Å; A418-A427 WeakPolarHBondContact CA-O 3.25Å; A418-V428 HydrophobicContact CB-CG2 4.16Å
419	V	92.1	Very high	86.9	Confident	15 Å²	15	43.6 Å²	43.6	9%	0.091	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	137.7	-171.7	-178.6	0	0	0	0	110.3	F426 A427 I456 Y458 L464	V419-F426 CarbonylContact O-C 3.49Å; V419-F426 WeakPolarHBondContact O-CA 3.44Å; V419-F426 WeakPolarHBondContact O-CB 3.25Å; V419-A427 PolarHBondContact N-O 3.18Å; V419-A427 PolarHBondContact O-N 3.09Å; V419-I456 HydrophobicContact CB-CD1 4.4Å; V419-I456 HydrophobicContact CG2-CD1 4.33Å; V419-I456 HydrophobicContact CG2-CG1 4.05Å; V419-Y458 HydrophobicContact CG1-CD2 4.32Å; V419-L464 HydrophobicContact CG1-CD2 4.4Å
420	W	91.7	Very high	87.7	Confident	11 Å²	11	36.1 Å²	36.1	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	137.3	175.4	-62.9	106.7	0	0	0	112.3	S369 N371 A376 L378 L393 F426 L440 Y458	S369-W420 PolarHBondContact O-NE1 3.23Å; N371-W420 HydrophobicContact CB-CD2 3.61Å; N371-W420 VanDerWaalsContact CB-CE2 3.44Å; N371-W420 HydrophobicContact CB-CE3 4.14Å; N371-W420 HydrophobicContact CB-CG 3.89Å; N371-W420 HydrophobicContact CB-CH2 4.4Å; N371-W420 HydrophobicContact CB-CZ2 3.88Å; A376-W420 HydrophobicContact CB-CH2 4.03Å; A376-W420 HydrophobicContact CB-CZ2 3.83Å; L378-W420 HydrophobicContact CD1-CD2 3.92Å; L378-W420 HydrophobicContact CD1-CG 4.19Å; L378-W420 HydrophobicContact CD1-CZ2 3.95Å; L378-W420 HydrophobicContact CD2-CZ2 4.49Å; L378-W420 HydrophobicContact CG-CZ2 3.76Å; L393-W420 HydrophobicContact CD1-CH2 3.86Å; L393-W420 HydrophobicContact CD1-CZ2 3.88Å; W420-F426 HydrophobicContact CD2-CB 4.16Å; W420-F426 HydrophobicContact CE3-CB 3.77Å; W420-F426 HydrophobicContact CE3-CD1 4.24Å; W420-F426 HydrophobicContact CE3-CG 4.47Å; W420-F426 HydrophobicContact CH2-CD1 4.07Å; W420-F426 HydrophobicContact CZ3-CB 4.15Å; W420-F426 AromaticContact CZ3-CD1 3.72Å; W420-F426 HydrophobicContact CZ3-CD1 3.72Å; W420-F426 HydrophobicContact CZ3-CG 4.37Å; W420-L440 HydrophobicContact CH2-CD2 3.57Å; W420-L440 HydrophobicContact CZ3-CD2 3.6Å; W420-Y458 WeakPolarHBondContact O-CD2 3.47Å
421	V	89.7	Confident	88	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-29.8	178.7	176.9	0	0	0	0	111.6	R425 A427 T461 G462 L464 V477	V421-R425 PolarHBondContact N-O 3.01Å; V421-A427 HydrophobicContact CG2-CB 3.6Å; V421-T461 CarbonylContact O-C 3.54Å; V421-T461 WeakPolarHBondContact O-CA 3.24Å; V421-G462 PolarHBondContact O-N 3.06Å; V421-L464 HydrophobicContact CG2-CD1 4.04Å; V421-L464 HydrophobicContact CG2-CD2 3.77Å; V421-L464 HydrophobicContact CG2-CG 3.96Å; V421-V477 HydrophobicContact CG1-CB 4.33Å; V421-V477 HydrophobicContact CG1-CG2 4.17Å
422	A	86.1	Confident	87.6	Confident	36 Å²	36	43.9 Å²	43.9	30%	0.298	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	170.1	173.7	0	0	0	0	0	109.9	N424 R425 T461	A422-N424 VanDerWaalsContact C-N 3.25Å; A422-N424 PolarHBondContact O-N 2.75Å; A422-R425 HydrophobicContact CB-CB 4.36Å; A422-R425 PolarHBondContact N-O 2.84Å; A422-R425 PolarHBondContact O-N 2.78Å; A422-T461 HydrophobicContact CB-CG2 4.39Å
423	R	85.9	Confident	87.3	Confident	159 Å²	159	44.1 Å²	44.1	60%	0.6	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-38.6	-51.2	-177.7	-163	-168.6	164.1	140.4	2.8	114.1	N371 A373 E374	N371-R423 PolarHBondContact ND2-O 3.27Å; A373-R423 HydrophobicContact CB-CG 3.47Å; A373-R423 VanDerWaalsContact CB-CG 3.47Å; E374-R423 IonicContact OE1-CZ 2.7Å; E374-R423 VanDerWaalsContact OE1-CZ 3.24Å; E374-R423 IonicContact OE1-NE 3.24Å; E374-R423 PolarHBondContact OE1-NE 2.91Å; E374-R423 IonicContact OE1-NH2 3.54Å; E374-R423 PolarHBondContact OE1-NH2 3.49Å
424	N	88.3	Confident	87.2	Confident	73 Å²	73	43.7 Å²	43.7	39%	0.39	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	18.3	-175.3	-60	4.8	0	0	0	112.7	E374 A422 L440	E374-N424 WeakPolarHBondContact CG-OD1 3.41Å; E374-N424 PolarHBondContact OE1-OD1 2.96Å; A422-N424 VanDerWaalsContact C-N 3.25Å; A422-N424 PolarHBondContact O-N 2.75Å; N424-L440 HydrophobicContact CB-CD1 4.1Å; N424-L440 HydrophobicContact CB-CG 4.33Å
425	R	90.2	Very high	87.4	Confident	138 Å²	138	41.4 Å²	41.4	52%	0.521	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.7	-176.4	-58.5	-178.8	-173.8	165.2	2	112.7	V421 A422 I437 K438	V421-R425 PolarHBondContact N-O 3.01Å; A422-R425 HydrophobicContact CB-CB 4.36Å; A422-R425 PolarHBondContact N-O 2.84Å; A422-R425 PolarHBondContact O-N 2.78Å; R425-I437 HydrophobicContact CB-CG2 4.2Å; R425-K438 VanDerWaalsContact CA-O 3.27Å; R425-K438 WeakPolarHBondContact CA-O 3.5Å
426	F	92.4	Very high	87.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.9	172.9	59.9	-86.7	0	0	0	111.1	L378 Y391 L393 V419 W420 V428 I437 K438 N439	L378-F426 HydrophobicContact CD1-CB 3.71Å; L378-F426 HydrophobicContact CD1-CD2 4.04Å; L378-F426 HydrophobicContact CD1-CG 3.87Å; L378-F426 HydrophobicContact CD2-CD2 4.18Å; L378-F426 HydrophobicContact CD2-CE2 4.18Å; L378-F426 HydrophobicContact CD2-CG 4.4Å; L378-F426 HydrophobicContact CD2-CZ 4.39Å; Y391-F426 AromaticContact CE2-CE2 3.61Å; Y391-F426 HydrophobicContact CE2-CE2 3.61Å; Y391-F426 HydrophobicContact CE2-CZ 4.06Å; Y391-F426 AromaticContact CZ-CE2 3.91Å; L393-F426 HydrophobicContact CD2-CE1 3.97Å; L393-F426 HydrophobicContact CD2-CZ 4.26Å; V419-F426 CarbonylContact O-C 3.49Å; V419-F426 WeakPolarHBondContact O-CA 3.44Å; V419-F426 WeakPolarHBondContact O-CB 3.25Å; W420-F426 HydrophobicContact CD2-CB 4.16Å; W420-F426 HydrophobicContact CE3-CB 3.77Å; W420-F426 HydrophobicContact CE3-CD1 4.24Å; W420-F426 HydrophobicContact CE3-CG 4.47Å; W420-F426 HydrophobicContact CH2-CD1 4.07Å; W420-F426 HydrophobicContact CZ3-CB 4.15Å; W420-F426 AromaticContact CZ3-CD1 3.72Å; W420-F426 HydrophobicContact CZ3-CD1 3.72Å; W420-F426 HydrophobicContact CZ3-CG 4.37Å; F426-V428 HydrophobicContact CD2-CG2 3.61Å; F426-V428 HydrophobicContact CE2-CG2 3.49Å; F426-V428 VanDerWaalsContact CE2-CG2 3.49Å; F426-I437 CarbonylContact O-C 3.56Å; F426-I437 WeakPolarHBondContact O-CA 3.46Å; F426-K438 HydrophobicContact CD2-CB 4.3Å; F426-K438 HydrophobicContact CE1-CB 4.12Å; F426-K438 HydrophobicContact CE2-CB 3.81Å; F426-K438 HydrophobicContact CE2-CD 4.06Å; F426-K438 HydrophobicContact CE2-CG 4.43Å; F426-K438 HydrophobicContact CZ-CB 3.7Å; F426-K438 HydrophobicContact CZ-CD 4.22Å; F426-K438 PolarHBondContact N-O 2.89Å; F426-K438 PolarHBondContact O-N 3.39Å; F426-N439 WeakPolarHBondContact CE1-O 3.39Å
427	A	91.9	Very high	87.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	144.9	170.1	0	0	0	0	0	110.3	A418 V419 V421 L435 L436 I437 I456 L464	A418-A427 CarbonylContact C-O 3.6Å; A418-A427 VanDerWaalsContact CA-O 3.28Å; A418-A427 WeakPolarHBondContact CA-O 3.25Å; V419-A427 PolarHBondContact N-O 3.18Å; V419-A427 PolarHBondContact O-N 3.09Å; V421-A427 HydrophobicContact CG2-CB 3.6Å; A427-L435 HydrophobicContact CB-CD1 3.96Å; A427-L435 HydrophobicContact CB-CG 4.43Å; A427-L436 CarbonylContact C-O 3.52Å; A427-L436 WeakPolarHBondContact CA-O 3.22Å; A427-I437 HydrophobicContact CB-CD1 3.64Å; A427-I456 HydrophobicContact CB-CD1 3.86Å; A427-L464 HydrophobicContact CB-CD1 3.68Å
428	V	91.8	Very high	88.1	Confident	1 Å²	1	42 Å²	42	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.6	173.1	-177.7	0	0	0	0	107.8	Y391 T417 A418 F426 L436 K438	Y391-V428 HydrophobicContact CD1-CG1 4.02Å; Y391-V428 HydrophobicContact CD1-CG2 4.49Å; Y391-V428 HydrophobicContact CE1-CB 4.31Å; Y391-V428 HydrophobicContact CE1-CG1 3.53Å; Y391-V428 HydrophobicContact CE1-CG2 3.75Å; Y391-V428 HydrophobicContact CE2-CG2 4.29Å; T417-V428 WeakPolarHBondContact O-CA 3.33Å; A418-V428 HydrophobicContact CB-CG2 4.16Å; F426-V428 HydrophobicContact CD2-CG2 3.61Å; F426-V428 HydrophobicContact CE2-CG2 3.49Å; F426-V428 VanDerWaalsContact CE2-CG2 3.49Å; V428-L436 HydrophobicContact CB-CB 4.47Å; V428-L436 PolarHBondContact N-O 3.44Å; V428-L436 PolarHBondContact O-N 3.46Å; V428-K438 HydrophobicContact CG2-CD 4.1Å
429	L	89.6	Confident	88.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.5	165.4	-175.4	62.3	0	0	0	108.9	L416 T417 E454 I456	L416-L429 HydrophobicContact CB-CD2 4.46Å; L416-L429 HydrophobicContact CD1-CD2 4.24Å; L416-L429 HydrophobicContact CD1-CG 4.31Å; L416-L429 PolarHBondContact N-O 2.93Å; T417-L429 PolarHBondContact O-N 3.05Å; L429-E454 VanDerWaalsContact CD2-O 3.3Å; L429-E454 WeakPolarHBondContact CD2-O 3.42Å; L429-I456 HydrophobicContact CB-CG1 4.45Å; L429-I456 HydrophobicContact CB-CG2 4.44Å
430	D	84.5	Confident	87.8	Confident	31 Å²	31	45.5 Å²	45.5	17%	0.166	21%	0.211	C	C	.	.			trans	-79.4	164.9	179.8	-169.8	21.6	0	0	0	112.1	M432 H433 S434 L436	D430-M432 PolarHBondContact O-N 2.81Å; D430-H433 WeakPolarHBondContact O-CA 3.48Å; D430-H433 PolarHBondContact O-N 3.48Å; D430-S434 WeakPolarHBondContact CB-O 3.16Å; D430-S434 PolarHBondContact N-O 3.23Å; D430-L436 HydrophobicContact CB-CD1 3.89Å; D430-L436 HydrophobicContact CB-CG 4.18Å
431	R	79.3	Confident	87.4	Confident	112 Å²	112	51.6 Å²	51.6	42%	0.423	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32	178.9	-64.5	172.3	174.9	166	-6.6	113.1	E387 H433	E387-R431 PolarHBondContact O-NE 3.38Å; E387-R431 PolarHBondContact O-NH2 2.98Å; R431-H433 PolarHBondContact O-N 2.92Å
432	M	76.4	Confident	87.3	Confident	152 Å²	152	52.5 Å²	52.5	75%	0.749	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	18.8	175.1	-57.1	-175.8	76.8	0	0	113.4	D430 S434	D430-M432 PolarHBondContact O-N 2.81Å; M432-S434 PolarHBondContact O-N 2.95Å; M432-S434 VanDerWaalsContact O-N 3.09Å
433	H	80	Confident	87.4	Confident	84 Å²	84	55.7 Å²	55.7	39%	0.389	25%	0.251	S	S	.	.	S	Bend	trans	53.8	28.1	-175.9	-63.1	-89.4	0	0	0	114.4	D430 R431 C453	D430-H433 WeakPolarHBondContact O-CA 3.48Å; D430-H433 PolarHBondContact O-N 3.48Å; R431-H433 PolarHBondContact O-N 2.92Å; H433-C453 PolarHBondContact ND1-O 3.35Å
434	S	86	Confident	87.6	Confident	14 Å²	14	53 Å²	53	10%	0.098	25%	0.248	C	C	.	.			trans	-104.7	145.3	178	82.3	0	0	0	0	111.6	D430 M432 K447	D430-S434 WeakPolarHBondContact CB-O 3.16Å; D430-S434 PolarHBondContact N-O 3.23Å; M432-S434 PolarHBondContact O-N 2.95Å; M432-S434 VanDerWaalsContact O-N 3.09Å; S434-K447 VanDerWaalsContact OG-CE 3.27Å; S434-K447 WeakPolarHBondContact OG-CE 3.12Å
435	L	89.3	Confident	87.6	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.5	-175.1	-168	72.8	0	0	0	110.7	A427 I437 V448 V450 I456 L464	A427-L435 HydrophobicContact CB-CD1 3.96Å; A427-L435 HydrophobicContact CB-CG 4.43Å; L435-I437 HydrophobicContact CD2-CD1 4.28Å; L435-I437 HydrophobicContact CG-CD1 4.32Å; L435-V448 HydrophobicContact CB-CB 4.29Å; L435-V448 WeakPolarHBondContact CB-O 3.48Å; L435-V448 HydrophobicContact CD2-CB 4.32Å; L435-V448 PolarHBondContact N-O 3.09Å; L435-V448 PolarHBondContact O-N 3.09Å; L435-V450 HydrophobicContact CB-CG1 4.06Å; L435-V450 HydrophobicContact CB-CG2 4.1Å; L435-V450 HydrophobicContact CD2-CG1 4.13Å; L435-I456 HydrophobicContact CD1-CD1 3.93Å; L435-I456 HydrophobicContact CD1-CG2 4.09Å; L435-L464 HydrophobicContact CD1-CD1 4.12Å; L435-L464 HydrophobicContact CD2-CD1 3.79Å
436	L	91.1	Very high	87.5	Confident	15 Å²	15	50 Å²	50	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.8	178.5	-56.9	179.8	0	0	0	109.9	A427 V428 D430 I444 K447	A427-L436 CarbonylContact C-O 3.52Å; A427-L436 WeakPolarHBondContact CA-O 3.22Å; V428-L436 HydrophobicContact CB-CB 4.47Å; V428-L436 PolarHBondContact N-O 3.44Å; V428-L436 PolarHBondContact O-N 3.46Å; D430-L436 HydrophobicContact CB-CD1 3.89Å; D430-L436 HydrophobicContact CB-CG 4.18Å; L436-I444 HydrophobicContact CD1-CD1 4.17Å; L436-K447 HydrophobicContact CD2-CB 4.14Å; L436-K447 HydrophobicContact CD2-CD 3.9Å; L436-K447 HydrophobicContact CD2-CG 3.8Å
437	I	91.4	Very high	87.2	Confident	8 Å²	8	56.2 Å²	56.2	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.8	171.4	-49.8	-55.1	0	0	0	108.6	R425 F426 A427 L435 V445 K446 V448 V477	R425-I437 HydrophobicContact CB-CG2 4.2Å; F426-I437 CarbonylContact O-C 3.56Å; F426-I437 WeakPolarHBondContact O-CA 3.46Å; A427-I437 HydrophobicContact CB-CD1 3.64Å; L435-I437 HydrophobicContact CD2-CD1 4.28Å; L435-I437 HydrophobicContact CG-CD1 4.32Å; I437-V445 PolarHBondContact O-N 3.01Å; I437-K446 HydrophobicContact CB-CB 4.15Å; I437-K446 WeakPolarHBondContact CB-O 3.38Å; I437-K446 HydrophobicContact CG1-CB 4.35Å; I437-K446 PolarHBondContact N-O 3.16Å; I437-K446 PolarHBondContact O-N 3.12Å; I437-V448 HydrophobicContact CG1-CG2 4.33Å; I437-V477 HydrophobicContact CD1-CG1 3.68Å; I437-V477 HydrophobicContact CG1-CG1 3.96Å
438	K	91.8	Very high	86.9	Confident	20 Å²	20	56.4 Å²	56.4	9%	0.087	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	157.4	-176.5	-65.7	-170.4	174.2	-166	0	112.8	Y391 R425 F426 V428 N442 E443 I444	Y391-K438 VanDerWaalsContact OH-CD 3.24Å; Y391-K438 WeakPolarHBondContact OH-CD 3.44Å; Y391-K438 WeakPolarHBondContact OH-CE 3.33Å; Y391-K438 PolarHBondContact OH-NZ 3.21Å; R425-K438 VanDerWaalsContact CA-O 3.27Å; R425-K438 WeakPolarHBondContact CA-O 3.5Å; F426-K438 HydrophobicContact CD2-CB 4.3Å; F426-K438 HydrophobicContact CE1-CB 4.12Å; F426-K438 HydrophobicContact CE2-CB 3.81Å; F426-K438 HydrophobicContact CE2-CD 4.06Å; F426-K438 HydrophobicContact CE2-CG 4.43Å; F426-K438 HydrophobicContact CZ-CB 3.7Å; F426-K438 HydrophobicContact CZ-CD 4.22Å; F426-K438 PolarHBondContact N-O 2.89Å; F426-K438 PolarHBondContact O-N 3.39Å; V428-K438 HydrophobicContact CG2-CD 4.1Å; K438-N442 VanDerWaalsContact CD-OD1 3.28Å; K438-N442 WeakPolarHBondContact CD-OD1 3.45Å; K438-N442 PolarHBondContact NZ-OD1 3.32Å; K438-E443 WeakPolarHBondContact CA-O 3.47Å; K438-E443 WeakPolarHBondContact CB-O 3.42Å; K438-I444 HydrophobicContact CG-CG1 4.24Å
439	N	90.4	Very high	86.3	Confident	37 Å²	37	65.3 Å²	65.3	20%	0.198	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	174.6	172.9	70.3	10.9	0	0	0	112.1	F426 K441 N442 E443 V445	F426-N439 WeakPolarHBondContact CE1-O 3.39Å; N439-K441 PolarHBondContact O-N 3.08Å; N439-K441 VanDerWaalsContact O-N 3.16Å; N439-K441 WeakPolarHBondContact OD1-CA 3.19Å; N439-K441 WeakPolarHBondContact OD1-CB 3.16Å; N439-K441 PolarHBondContact OD1-N 3.31Å; N439-N442 WeakPolarHBondContact O-CA 3.46Å; N439-N442 PolarHBondContact O-N 3.46Å; N439-N442 PolarHBondContact OD1-N 2.68Å; N439-N442 VanDerWaalsContact OD1-N 3.12Å; N439-E443 PolarHBondContact N-O 3.08Å; N439-E443 PolarHBondContact ND2-OE2 3.2Å; N439-E443 WeakPolarHBondContact OD1-CB 3.47Å; N439-E443 PolarHBondContact OD1-N 3.1Å; N439-V445 HydrophobicContact CB-CG2 3.84Å
440	L	85.8	Confident	85.8	Confident	56 Å²	56	66.5 Å²	66.5	29%	0.293	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.4	176	-60.2	172.8	0	0	0	114.2	E374 L393 W420 N424 N442	E374-L440 HydrophobicContact CB-CD1 4.38Å; E374-L440 HydrophobicContact CG-CD1 4.03Å; L393-L440 WeakPolarHBondContact CD2-O 3.13Å; W420-L440 HydrophobicContact CH2-CD2 3.57Å; W420-L440 HydrophobicContact CZ3-CD2 3.6Å; N424-L440 HydrophobicContact CB-CD1 4.1Å; N424-L440 HydrophobicContact CB-CG 4.33Å; L440-N442 PolarHBondContact O-N 3.25Å
441	K	84.5	Confident	85.3	Confident	138 Å²	138	69.4 Å²	69.4	60%	0.6	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-11	173.4	-68.9	-173.1	176.7	-176.1	0	113.1	K411 N439 E443	K411-K441 PolarHBondContact NZ-O 3.02Å; N439-K441 PolarHBondContact O-N 3.08Å; N439-K441 VanDerWaalsContact O-N 3.16Å; N439-K441 WeakPolarHBondContact OD1-CA 3.19Å; N439-K441 WeakPolarHBondContact OD1-CB 3.16Å; N439-K441 PolarHBondContact OD1-N 3.31Å; K441-E443 HydrophobicContact CB-CG 4.11Å; K441-E443 WeakPolarHBondContact CB-OE1 3.34Å; K441-E443 WeakPolarHBondContact CD-OE1 3.27Å
442	N	86.7	Confident	85.3	Confident	28 Å²	28	68.2 Å²	68.2	15%	0.15	35%	0.347	C	S	.	.	S	Bend	trans	79.2	15.7	-173.2	-157.7	26.9	0	0	0	114.9	Y391 K411 S413 K438 N439 L440	Y391-N442 PolarHBondContact OH-OD1 3.36Å; K411-N442 HydrophobicContact CD-CB 4.23Å; S413-N442 PolarHBondContact OG-ND2 3.24Å; K438-N442 VanDerWaalsContact CD-OD1 3.28Å; K438-N442 WeakPolarHBondContact CD-OD1 3.45Å; K438-N442 PolarHBondContact NZ-OD1 3.32Å; N439-N442 WeakPolarHBondContact O-CA 3.46Å; N439-N442 PolarHBondContact O-N 3.46Å; N439-N442 PolarHBondContact OD1-N 2.68Å; N439-N442 VanDerWaalsContact OD1-N 3.12Å; L440-N442 PolarHBondContact O-N 3.25Å
443	E	88.7	Confident	85.6	Confident	104 Å²	104	61.1 Å²	61.1	49%	0.486	31%	0.312	S	S	.	.			trans	-83.2	147.8	176.8	-59.8	150.7	-174.3	0	0	110.6	K438 N439 K441 V445	K438-E443 WeakPolarHBondContact CA-O 3.47Å; K438-E443 WeakPolarHBondContact CB-O 3.42Å; N439-E443 PolarHBondContact N-O 3.08Å; N439-E443 PolarHBondContact ND2-OE2 3.2Å; N439-E443 WeakPolarHBondContact OD1-CB 3.47Å; N439-E443 PolarHBondContact OD1-N 3.1Å; K441-E443 HydrophobicContact CB-CG 4.11Å; K441-E443 WeakPolarHBondContact CB-OE1 3.34Å; K441-E443 WeakPolarHBondContact CD-OE1 3.27Å; E443-V445 PolarHBondContact O-N 3.04Å
444	I	90.1	Very high	85.8	Confident	103 Å²	103	60.8 Å²	60.8	53%	0.528	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.2	179.5	-59.3	169.9	0	0	0	109.7	L436 K438	L436-I444 HydrophobicContact CD1-CD1 4.17Å; K438-I444 HydrophobicContact CG-CG1 4.24Å
445	V	88.5	Confident	85.9	Confident	72 Å²	72	60.7 Å²	60.7	44%	0.436	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-38.2	178.5	-178.7	0	0	0	0	111.5	I437 N439 E443	I437-V445 PolarHBondContact O-N 3.01Å; N439-V445 HydrophobicContact CB-CG2 3.84Å; E443-V445 PolarHBondContact O-N 3.04Å
446	K	86.7	Confident	86	Confident	74 Å²	74	60.9 Å²	60.9	32%	0.322	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	128.6	-176.4	-171.5	-176.4	-178	-172.8	0	109.8	I437 V448 V477	I437-K446 HydrophobicContact CB-CB 4.15Å; I437-K446 WeakPolarHBondContact CB-O 3.38Å; I437-K446 HydrophobicContact CG1-CB 4.35Å; I437-K446 PolarHBondContact N-O 3.16Å; I437-K446 PolarHBondContact O-N 3.12Å; K446-V448 HydrophobicContact CD-CG2 4.05Å; K446-V448 HydrophobicContact CG-CG2 4.04Å; K446-V477 PolarHBondContact NZ-O 3.44Å
447	K	87.6	Confident	86.1	Confident	132 Å²	132	61.7 Å²	61.7	57%	0.574	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.2	165	-173.8	162	-174	173.1	0	108.7	S434 L436	S434-K447 VanDerWaalsContact OG-CE 3.27Å; S434-K447 WeakPolarHBondContact OG-CE 3.12Å; L436-K447 HydrophobicContact CD2-CB 4.14Å; L436-K447 HydrophobicContact CD2-CD 3.9Å; L436-K447 HydrophobicContact CD2-CG 3.8Å
448	V	84.6	Confident	86	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.024	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.5	177.6	-175.9	0	0	0	0	107.9	L435 I437 K446 V450 F475	L435-V448 HydrophobicContact CB-CB 4.29Å; L435-V448 WeakPolarHBondContact CB-O 3.48Å; L435-V448 HydrophobicContact CD2-CB 4.32Å; L435-V448 PolarHBondContact N-O 3.09Å; L435-V448 PolarHBondContact O-N 3.09Å; I437-V448 HydrophobicContact CG1-CG2 4.33Å; K446-V448 HydrophobicContact CD-CG2 4.05Å; K446-V448 HydrophobicContact CG-CG2 4.04Å; V448-V450 HydrophobicContact CG1-CG1 4.14Å; V448-F475 HydrophobicContact CG1-CE1 4.02Å; V448-F475 HydrophobicContact CG1-CZ 3.96Å
449	Q	80.3	Confident	85.8	Confident	188 Å²	188	65.4 Å²	65.4	88%	0.879	33%	0.329	S	S	*	.			trans	-79.4	128.8	171.8	-165.5	162	-3.9	0	0	108
450	V	77.7	Confident	85.5	Confident	24 Å²	24	64.4 Å²	64.4	15%	0.145	33%	0.328	C	S	.	.			trans	-128.5	160.3	-175.8	-72.2	0	0	0	0	108.8	L435 V448 L466 F475	L435-V450 HydrophobicContact CB-CG1 4.06Å; L435-V450 HydrophobicContact CB-CG2 4.1Å; L435-V450 HydrophobicContact CD2-CG1 4.13Å; V448-V450 HydrophobicContact CG1-CG1 4.14Å; V450-L466 HydrophobicContact CB-CD1 4.1Å; V450-L466 HydrophobicContact CG1-CD1 3.99Å; V450-F475 HydrophobicContact CG1-CE1 4.13Å; V450-F475 HydrophobicContact CG1-CE2 4.45Å; V450-F475 HydrophobicContact CG1-CZ 4.02Å
451	P	74.9	Confident	85.4	Confident	92 Å²	92	66.9 Å²	66.9	60%	0.597	35%	0.345	S	S	*	.	S	Bend	trans	-55.4	163.2	166.3	-23	34.5	0	0	0	111.7	C453	P451-C453 PolarHBondContact O-N 3.07Å; P451-C453 VanDerWaalsContact O-N 3.07Å; P451-C453 PolarHBondContact O-SG 2.84Å
452	S	78.1	Confident	85.3	Confident	88 Å²	88	60.6 Å²	60.6	62%	0.615	32%	0.32	S	S	*	.	S	Bend	trans	-49.6	119	172.5	-177.3	0	0	0	0	109.9
453	C	83.3	Confident	85.4	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.02	32%	0.32	C	S	.	.			trans	-140.4	133.9	-179.2	56.9	0	0	0	0	110.2	H433 P451 L466 R467	H433-C453 PolarHBondContact ND1-O 3.35Å; P451-C453 PolarHBondContact O-N 3.07Å; P451-C453 VanDerWaalsContact O-N 3.07Å; P451-C453 PolarHBondContact O-SG 2.84Å; C453-L466 HydrophobicContact CB-CB 4.29Å; C453-R467 CarbonylContact C-O 3.59Å; C453-R467 WeakPolarHBondContact CA-O 3.31Å
454	E	84.9	Confident	85.6	Confident	76 Å²	76	55.5 Å²	55.5	36%	0.355	30%	0.297	S	S	.	.	S	Bend	trans	-86.4	-34.9	-178.6	-67.9	-175.7	-162	0	0	112.1	L429 R467	L429-E454 VanDerWaalsContact CD2-O 3.3Å; L429-E454 WeakPolarHBondContact CD2-O 3.42Å; E454-R467 VanDerWaalsContact CD-NH1 3.31Å; E454-R467 PolarHBondContact N-O 3.18Å; E454-R467 IonicContact OE1-NH1 2.82Å; E454-R467 IonicContact OE2-CZ 2.72Å; E454-R467 IonicContact OE2-NH1 2.69Å; E454-R467 PolarHBondContact OE2-NH1 3.04Å; E454-R467 IonicContact OE2-NH2 2.99Å; E454-R467 PolarHBondContact OE2-NH2 3.08Å
455	E	87.6	Confident	85.7	Confident	13 Å²	13	50.6 Å²	50.6	6%	0.061	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.8	-175.8	-70.8	173.2	157	0	0	111.4	R382 T417 F457 R467	R382-E455 IonicContact CZ-OE1 3.17Å; R382-E455 IonicContact NH1-OE1 3.05Å; R382-E455 PolarHBondContact NH1-OE1 3.21Å; R382-E455 IonicContact NH2-OE1 3.78Å; T417-E455 HydrophobicContact CG2-CB 4.47Å; T417-E455 HydrophobicContact CG2-CG 4.24Å; E455-F457 HydrophobicContact CB-CE2 4.42Å; E455-F457 HydrophobicContact CB-CZ 4.46Å; E455-R467 HydrophobicContact CB-CB 4.41Å; E455-R467 VanDerWaalsContact CD-NH2 3.34Å; E455-R467 PolarHBondContact O-N 3.36Å; E455-R467 IonicContact OE1-NH2 3.87Å; E455-R467 IonicContact OE2-CZ 3.02Å; E455-R467 VanDerWaalsContact OE2-CZ 3.31Å; E455-R467 IonicContact OE2-NE 3.26Å; E455-R467 PolarHBondContact OE2-NE 2.98Å; E455-R467 IonicContact OE2-NH2 2.87Å; E455-R467 PolarHBondContact OE2-NH2 3.22Å
456	I	92.2	Very high	85.8	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.1	172.5	62.5	171.7	0	0	0	111.9	T417 V419 A427 L429 L435 L465 L466	T417-I456 WeakPolarHBondContact OG1-CG1 3.24Å; T417-I456 PolarHBondContact OG1-N 3.26Å; V419-I456 HydrophobicContact CB-CD1 4.4Å; V419-I456 HydrophobicContact CG2-CD1 4.33Å; V419-I456 HydrophobicContact CG2-CG1 4.05Å; A427-I456 HydrophobicContact CB-CD1 3.86Å; L429-I456 HydrophobicContact CB-CG1 4.45Å; L429-I456 HydrophobicContact CB-CG2 4.44Å; L435-I456 HydrophobicContact CD1-CD1 3.93Å; L435-I456 HydrophobicContact CD1-CG2 4.09Å; I456-L465 CarbonylContact C-O 3.59Å; I456-L465 WeakPolarHBondContact CA-O 3.12Å; I456-L466 HydrophobicContact CG2-CD2 3.63Å
457	F	91.9	Very high	86	Confident	32 Å²	32	44.5 Å²	44.5	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.7	173.1	-52.6	-85.8	0	0	0	111.8	E455 L464 L465 R467 V491 V494	E455-F457 HydrophobicContact CB-CE2 4.42Å; E455-F457 HydrophobicContact CB-CZ 4.46Å; F457-L464 WeakPolarHBondContact O-CD2 3.43Å; F457-L465 HydrophobicContact CB-CB 4.15Å; F457-L465 PolarHBondContact N-O 3.18Å; F457-L465 PolarHBondContact O-N 3.02Å; F457-R467 HydrophobicContact CE2-CB 3.99Å; F457-V491 HydrophobicContact CE2-CG1 4.5Å; F457-V494 HydrophobicContact CB-CB 4.18Å; F457-V494 HydrophobicContact CB-CG2 3.77Å; F457-V494 HydrophobicContact CD1-CB 4.39Å; F457-V494 HydrophobicContact CD1-CG2 3.92Å; F457-V494 HydrophobicContact CD2-CG2 3.74Å; F457-V494 HydrophobicContact CE1-CG2 4.45Å; F457-V494 HydrophobicContact CE2-CG2 4.28Å; F457-V494 HydrophobicContact CG-CB 4.27Å; F457-V494 HydrophobicContact CG-CG2 3.54Å
458	Y	90.3	Very high	86	Confident	95 Å²	95	41.6 Å²	41.6	37%	0.373	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.1	177.3	-178.5	-106.9	0	0	0	111.5	V419 W420 G460 W496	V419-Y458 HydrophobicContact CG1-CD2 4.32Å; W420-Y458 WeakPolarHBondContact O-CD2 3.47Å; Y458-G460 VanDerWaalsContact CZ-CA 3.44Å; Y458-G460 WeakPolarHBondContact OH-CA 3.3Å; Y458-W496 PolarHBondContact O-NE1 2.89Å
459	A	86.8	Confident	86	Confident	11 Å²	11	42.9 Å²	42.9	9%	0.091	24%	0.241	C	C	.	.			trans	-138	23.2	180	0	0	0	0	0	114	L465 L474 W496	A459-L465 HydrophobicContact CB-CD2 4.48Å; A459-L465 HydrophobicContact CB-CG 3.82Å; A459-L474 HydrophobicContact CB-CD1 3.66Å; A459-W496 HydrophobicContact CB-CZ2 4.17Å
460	G	83.6	Confident	86.2	Confident	17 Å²	17	39.8 Å²	39.8	18%	0.175	23%	0.231	C	C	.	.	S	Bend	trans	95.2	175.8	-168.2	0	0	0	0	0	113	Y458 G462 S463	Y458-G460 VanDerWaalsContact CZ-CA 3.44Å; Y458-G460 WeakPolarHBondContact OH-CA 3.3Å; G460-G462 PolarHBondContact O-N 2.98Å; G460-S463 PolarHBondContact O-N 3.34Å
461	T	84.9	Confident	86.7	Confident	108 Å²	108	39 Å²	39	66%	0.663	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	125.5	179.8	-58.5	0	0	0	0	111.1	V421 A422 S463	V421-T461 CarbonylContact O-C 3.54Å; V421-T461 WeakPolarHBondContact O-CA 3.24Å; A422-T461 HydrophobicContact CB-CG2 4.39Å; T461-S463 VanDerWaalsContact C-N 3.32Å
462	G	83.1	Confident	87.6	Confident	6 Å²	6	34.6 Å²	34.6	6%	0.062	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	-11	-180	0	0	0	0	0	115.7	V421 G460 V477	V421-G462 PolarHBondContact O-N 3.06Å; G460-G462 PolarHBondContact O-N 2.98Å; G462-V477 WeakPolarHBondContact O-CB 3.3Å; G462-V477 PolarHBondContact O-N 3.1Å
463	S	88.8	Confident	88.2	Confident	24 Å²	24	31.8 Å²	31.8	17%	0.168	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.5	-175.5	-60.9	0	0	0	0	112.2	G460 T461 F475	G460-S463 PolarHBondContact O-N 3.34Å; T461-S463 VanDerWaalsContact C-N 3.32Å; S463-F475 WeakPolarHBondContact CA-O 3.33Å
464	L	91.3	Very high	88.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.9	176.3	-73.9	172.4	0	0	0	110.9	V419 V421 A427 L435 F457 L466 F475 V477	V419-L464 HydrophobicContact CG1-CD2 4.4Å; V421-L464 HydrophobicContact CG2-CD1 4.04Å; V421-L464 HydrophobicContact CG2-CD2 3.77Å; V421-L464 HydrophobicContact CG2-CG 3.96Å; A427-L464 HydrophobicContact CB-CD1 3.68Å; L435-L464 HydrophobicContact CD1-CD1 4.12Å; L435-L464 HydrophobicContact CD2-CD1 3.79Å; F457-L464 WeakPolarHBondContact O-CD2 3.43Å; L464-L466 HydrophobicContact CB-CD2 4.32Å; L464-F475 PolarHBondContact N-O 3.33Å; L464-F475 PolarHBondContact O-N 2.95Å; L464-V477 HydrophobicContact CB-CG2 4.42Å; L464-V477 HydrophobicContact CD1-CG2 3.69Å; L464-V477 HydrophobicContact CG-CG2 3.9Å
465	L	92.4	Very high	88.9	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.9	164.4	-68.8	169.6	0	0	0	107.9	I456 F457 A459 V472 T473 L474 V494 W496 L505 L518	I456-L465 CarbonylContact C-O 3.59Å; I456-L465 WeakPolarHBondContact CA-O 3.12Å; F457-L465 HydrophobicContact CB-CB 4.15Å; F457-L465 PolarHBondContact N-O 3.18Å; F457-L465 PolarHBondContact O-N 3.02Å; A459-L465 HydrophobicContact CB-CD2 4.48Å; A459-L465 HydrophobicContact CB-CG 3.82Å; L465-V472 HydrophobicContact CB-CG1 3.84Å; L465-V472 HydrophobicContact CD2-CG1 3.86Å; L465-V472 HydrophobicContact CG-CG1 4.26Å; L465-T473 CarbonylContact C-O 3.58Å; L465-T473 WeakPolarHBondContact CA-O 3.48Å; L465-L474 HydrophobicContact CD2-CB 4.15Å; L465-L474 HydrophobicContact CD2-CD1 4.04Å; L465-V494 HydrophobicContact CD1-CB 4.46Å; L465-V494 HydrophobicContact CD1-CG1 3.7Å; L465-V494 HydrophobicContact CD1-CG2 4.06Å; L465-W496 HydrophobicContact CD1-CZ2 4.15Å; L465-L505 HydrophobicContact CD1-CD2 4.39Å; L465-L518 HydrophobicContact CD2-CD1 3.72Å; L465-L518 HydrophobicContact CD2-CD2 4.04Å; L465-L518 HydrophobicContact CD2-CG 4.18Å
466	L	91.6	Very high	89	Confident	8 Å²	8	29.2 Å²	29.2	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.8	173.7	-52.5	-177.4	0	0	0	108.5	V450 C453 I456 L464 V472 T473 F475	V450-L466 HydrophobicContact CB-CD1 4.1Å; V450-L466 HydrophobicContact CG1-CD1 3.99Å; C453-L466 HydrophobicContact CB-CB 4.29Å; I456-L466 HydrophobicContact CG2-CD2 3.63Å; L464-L466 HydrophobicContact CB-CD2 4.32Å; L466-V472 CarbonylContact O-C 3.32Å; L466-V472 WeakPolarHBondContact O-CA 3.49Å; L466-T473 PolarHBondContact N-O 2.98Å; L466-T473 PolarHBondContact O-N 3.15Å; L466-F475 HydrophobicContact CD1-CB 3.74Å; L466-F475 HydrophobicContact CD1-CD1 4.33Å; L466-F475 HydrophobicContact CD1-CD2 4.02Å; L466-F475 HydrophobicContact CD1-CG 3.78Å; L466-F475 HydrophobicContact CG-CB 3.84Å; L466-F475 HydrophobicContact CG-CG 4.35Å
467	R	91	Very high	88.8	Confident	11 Å²	11	29.6 Å²	29.6	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.3	176.5	-175.1	-177.1	71.7	70.5	-7.6	111.2	C453 E454 E455 F457 V472 V491	C453-R467 CarbonylContact C-O 3.59Å; C453-R467 WeakPolarHBondContact CA-O 3.31Å; E454-R467 VanDerWaalsContact CD-NH1 3.31Å; E454-R467 PolarHBondContact N-O 3.18Å; E454-R467 IonicContact OE1-NH1 2.82Å; E454-R467 IonicContact OE2-CZ 2.72Å; E454-R467 IonicContact OE2-NH1 2.69Å; E454-R467 PolarHBondContact OE2-NH1 3.04Å; E454-R467 IonicContact OE2-NH2 2.99Å; E454-R467 PolarHBondContact OE2-NH2 3.08Å; E455-R467 HydrophobicContact CB-CB 4.41Å; E455-R467 VanDerWaalsContact CD-NH2 3.34Å; E455-R467 PolarHBondContact O-N 3.36Å; E455-R467 IonicContact OE1-NH2 3.87Å; E455-R467 IonicContact OE2-CZ 3.02Å; E455-R467 VanDerWaalsContact OE2-CZ 3.31Å; E455-R467 IonicContact OE2-NE 3.26Å; E455-R467 PolarHBondContact OE2-NE 2.98Å; E455-R467 IonicContact OE2-NH2 2.87Å; E455-R467 PolarHBondContact OE2-NH2 3.22Å; F457-R467 HydrophobicContact CE2-CB 3.99Å; R467-V472 HydrophobicContact CG-CG2 4.28Å; R467-V491 WeakPolarHBondContact CD-O 3.43Å; R467-V491 PolarHBondContact NE-O 3.47Å
468	D	87.4	Confident	88.4	Confident	71 Å²	71	35 Å²	35	38%	0.38	20%	0.195	S	C	.	.			trans	-104.3	-174.7	168.7	-163.5	3.2	0	0	0	110.3	G471	D468-G471 PolarHBondContact N-O 3.22Å
469	A	83.9	Confident	88.2	Confident	30 Å²	30	35.5 Å²	35.5	25%	0.248	20%	0.201	C	C	.	.	S	Bend	trans	-61.2	-45.5	174.6	0	0	0	0	0	111.9	A489 K490	A469-A489 WeakPolarHBondContact O-CA 3.2Å; A469-K490 PolarHBondContact O-N 2.88Å
470	D	85.6	Confident	88.1	Confident	123 Å²	123	41.3 Å²	41.3	66%	0.658	22%	0.224	S	C	*	.	S	Bend	trans	-106.6	-8.3	-168.4	-65.7	-30.4	0	0	0	114.8	I488	D470-I488 CarbonylContact O-C 3.6Å; D470-I488 PolarHBondContact O-N 3.31Å; D470-I488 VanDerWaalsContact O-N 3.11Å
471	G	87.9	Confident	88.3	Confident	7 Å²	7	47.3 Å²	47.3	7%	0.072	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	176.9	-176.5	0	0	0	0	0	116.2	D468 V486	D468-G471 PolarHBondContact N-O 3.22Å; G471-V486 CarbonylContact C-O 3.58Å; G471-V486 WeakPolarHBondContact CA-O 3.35Å
472	V	92.3	Very high	88.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.9	175.7	179.2	0	0	0	0	108.9	L465 L466 R467 T485 V486 I488 V491 L505	L465-V472 HydrophobicContact CB-CG1 3.84Å; L465-V472 HydrophobicContact CD2-CG1 3.86Å; L465-V472 HydrophobicContact CG-CG1 4.26Å; L466-V472 CarbonylContact O-C 3.32Å; L466-V472 WeakPolarHBondContact O-CA 3.49Å; R467-V472 HydrophobicContact CG-CG2 4.28Å; V472-T485 WeakPolarHBondContact O-CA 3.48Å; V472-V486 PolarHBondContact N-O 3.36Å; V472-V486 PolarHBondContact O-N 2.87Å; V472-I488 HydrophobicContact CG2-CG2 4.23Å; V472-V491 HydrophobicContact CG2-CB 3.98Å; V472-V491 HydrophobicContact CG2-CG1 4.44Å; V472-V491 HydrophobicContact CG2-CG2 3.71Å; V472-L505 HydrophobicContact CB-CD1 4.5Å
473	T	91.7	Very high	88.8	Confident	29 Å²	29	49.5 Å²	49.5	18%	0.178	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.5	-178	-64.4	0	0	0	0	110.6	L465 L466 A484 T485	L465-T473 CarbonylContact C-O 3.58Å; L465-T473 WeakPolarHBondContact CA-O 3.48Å; L466-T473 PolarHBondContact N-O 2.98Å; L466-T473 PolarHBondContact O-N 3.15Å; T473-A484 CarbonylContact C-O 3.51Å; T473-A484 WeakPolarHBondContact CA-O 3.47Å; T473-T485 WeakPolarHBondContact CG2-OG1 3.4Å; T473-T485 WeakPolarHBondContact OG1-CG2 3.45Å; T473-T485 PolarHBondContact OG1-OG1 3.23Å
474	L	92.4	Very high	88.8	Confident	13 Å²	13	49.8 Å²	49.8	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.8	167.7	-178.9	64.5	0	0	0	109.1	A459 L465 S482 L483 A484 L518	A459-L474 HydrophobicContact CB-CD1 3.66Å; L465-L474 HydrophobicContact CD2-CB 4.15Å; L465-L474 HydrophobicContact CD2-CD1 4.04Å; L474-S482 WeakPolarHBondContact O-CA 3.31Å; L474-L483 HydrophobicContact CD2-CB 4.17Å; L474-L483 HydrophobicContact CD2-CD1 4.07Å; L474-L483 HydrophobicContact CG-CB 4.26Å; L474-L483 HydrophobicContact CG-CD1 4.2Å; L474-L483 PolarHBondContact O-N 3.06Å; L474-A484 PolarHBondContact N-O 3.42Å; L474-L518 HydrophobicContact CB-CD1 3.57Å; L474-L518 HydrophobicContact CB-CG 4.05Å
475	F	91.3	Very high	88.8	Confident	9 Å²	9	54 Å²	54	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.5	-174.3	-176.6	-95	0	0	0	111	V448 V450 S463 L464 L466 V477 K480 R481	V448-F475 HydrophobicContact CG1-CE1 4.02Å; V448-F475 HydrophobicContact CG1-CZ 3.96Å; V450-F475 HydrophobicContact CG1-CE1 4.13Å; V450-F475 HydrophobicContact CG1-CE2 4.45Å; V450-F475 HydrophobicContact CG1-CZ 4.02Å; S463-F475 WeakPolarHBondContact CA-O 3.33Å; L464-F475 PolarHBondContact N-O 3.33Å; L464-F475 PolarHBondContact O-N 2.95Å; L466-F475 HydrophobicContact CD1-CB 3.74Å; L466-F475 HydrophobicContact CD1-CD1 4.33Å; L466-F475 HydrophobicContact CD1-CD2 4.02Å; L466-F475 HydrophobicContact CD1-CG 3.78Å; L466-F475 HydrophobicContact CG-CB 3.84Å; L466-F475 HydrophobicContact CG-CG 4.35Å; F475-V477 HydrophobicContact CD1-CG2 4.3Å; F475-K480 HydrophobicContact CZ-CB 4.45Å; F475-R481 WeakPolarHBondContact CD2-O 3.15Å
476	D	89.8	Confident	88.7	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.5	175.2	-176	-35.6	0	0	0	110	Q478 Q479 K480 R481 L483	D476-Q478 VanDerWaalsContact C-N 3.34Å; D476-Q478 WeakPolarHBondContact OD1-CA 3.38Å; D476-Q478 VanDerWaalsContact OD1-CB 3.32Å; D476-Q478 WeakPolarHBondContact OD1-CB 3.2Å; D476-Q478 PolarHBondContact OD1-N 2.91Å; D476-Q479 HydrophobicContact CB-CB 4.11Å; D476-Q479 PolarHBondContact OD1-N 2.83Å; D476-Q479 VanDerWaalsContact OD2-CG 3.27Å; D476-Q479 WeakPolarHBondContact OD2-CG 3.47Å; D476-Q479 PolarHBondContact OD2-OE1 3.3Å; D476-K480 VanDerWaalsContact O-CA 3.24Å; D476-K480 WeakPolarHBondContact O-CA 3.23Å; D476-K480 PolarHBondContact O-N 3.28Å; D476-R481 PolarHBondContact N-O 3.34Å; D476-L483 HydrophobicContact CB-CD1 4.31Å; D476-L483 HydrophobicContact CB-CG 4.41Å
477	V	86.4	Confident	88.7	Confident	10 Å²	10	63.3 Å²	63.3	6%	0.061	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-22.3	-176.6	-177	0	0	0	0	112.4	V421 I437 K446 G462 L464 F475	V421-V477 HydrophobicContact CG1-CB 4.33Å; V421-V477 HydrophobicContact CG1-CG2 4.17Å; I437-V477 HydrophobicContact CD1-CG1 3.68Å; I437-V477 HydrophobicContact CG1-CG1 3.96Å; K446-V477 PolarHBondContact NZ-O 3.44Å; G462-V477 WeakPolarHBondContact O-CB 3.3Å; G462-V477 PolarHBondContact O-N 3.1Å; L464-V477 HydrophobicContact CB-CG2 4.42Å; L464-V477 HydrophobicContact CD1-CG2 3.69Å; L464-V477 HydrophobicContact CG-CG2 3.9Å; F475-V477 HydrophobicContact CD1-CG2 4.3Å
478	Q	84.5	Confident	88.5	Confident	145 Å²	145	63.3 Å²	63.3	68%	0.678	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-56.2	175.3	-53.7	-170.7	7.6	0	0	109.6	D476 K480	D476-Q478 VanDerWaalsContact C-N 3.34Å; D476-Q478 WeakPolarHBondContact OD1-CA 3.38Å; D476-Q478 VanDerWaalsContact OD1-CB 3.32Å; D476-Q478 WeakPolarHBondContact OD1-CB 3.2Å; D476-Q478 PolarHBondContact OD1-N 2.91Å; Q478-K480 VanDerWaalsContact C-N 3.33Å; Q478-K480 PolarHBondContact O-N 3.2Å
479	Q	85.2	Confident	88.3	Confident	107 Å²	107	62.5 Å²	62.5	50%	0.5	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-13.1	-176.3	-59.1	178.6	5.8	0	0	113.6	D476 R481	D476-Q479 HydrophobicContact CB-CB 4.11Å; D476-Q479 PolarHBondContact OD1-N 2.83Å; D476-Q479 VanDerWaalsContact OD2-CG 3.27Å; D476-Q479 WeakPolarHBondContact OD2-CG 3.47Å; D476-Q479 PolarHBondContact OD2-OE1 3.3Å; Q479-R481 VanDerWaalsContact C-N 3.29Å; Q479-R481 HydrophobicContact CB-CG 4.04Å; Q479-R481 PolarHBondContact O-N 3.34Å
480	K	85.6	Confident	88.3	Confident	133 Å²	133	67.6 Å²	67.6	58%	0.578	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	31.3	-178.4	-53	178.6	-178.9	175.5	0	114.3	F475 D476 Q478	F475-K480 HydrophobicContact CZ-CB 4.45Å; D476-K480 VanDerWaalsContact O-CA 3.24Å; D476-K480 WeakPolarHBondContact O-CA 3.23Å; D476-K480 PolarHBondContact O-N 3.28Å; Q478-K480 VanDerWaalsContact C-N 3.33Å; Q478-K480 PolarHBondContact O-N 3.2Å
481	R	88.1	Confident	88.5	Confident	143 Å²	143	61.8 Å²	61.8	54%	0.54	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.8	-179.9	65.9	174.4	175	166.1	-1	112.7	F475 D476 Q479 L483	F475-R481 WeakPolarHBondContact CD2-O 3.15Å; D476-R481 PolarHBondContact N-O 3.34Å; Q479-R481 VanDerWaalsContact C-N 3.29Å; Q479-R481 HydrophobicContact CB-CG 4.04Å; Q479-R481 PolarHBondContact O-N 3.34Å; R481-L483 HydrophobicContact CG-CD2 4.17Å
482	S	87.8	Confident	88.5	Confident	76 Å²	76	65 Å²	65	53%	0.531	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	138.2	161.9	41.3	0	0	0	0	109.8	L474	L474-S482 WeakPolarHBondContact O-CA 3.31Å
483	L	89.1	Confident	88.4	Confident	84 Å²	84	67.5 Å²	67.5	44%	0.44	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-43.7	176.9	-62.1	179.9	0	0	0	111.3	L474 D476 R481	L474-L483 HydrophobicContact CD2-CB 4.17Å; L474-L483 HydrophobicContact CD2-CD1 4.07Å; L474-L483 HydrophobicContact CG-CB 4.26Å; L474-L483 HydrophobicContact CG-CD1 4.2Å; L474-L483 PolarHBondContact O-N 3.06Å; D476-L483 HydrophobicContact CB-CD1 4.31Å; D476-L483 HydrophobicContact CB-CG 4.41Å; R481-L483 HydrophobicContact CG-CD2 4.17Å
484	A	89	Confident	88.5	Confident	29 Å²	29	67.4 Å²	67.4	24%	0.24	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	152.1	-179	0	0	0	0	0	110.5	T473 L474 K517 L518	T473-A484 CarbonylContact C-O 3.51Å; T473-A484 WeakPolarHBondContact CA-O 3.47Å; L474-A484 PolarHBondContact N-O 3.42Å; A484-K517 VanDerWaalsContact CB-O 3.29Å; A484-K517 WeakPolarHBondContact CB-O 3Å; A484-L518 HydrophobicContact CB-CB 3.94Å
485	T	90.9	Very high	88.5	Confident	89 Å²	89	68.2 Å²	68.2	55%	0.546	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.1	178.1	-61.9	0	0	0	0	110.3	V472 T473	V472-T485 WeakPolarHBondContact O-CA 3.48Å; T473-T485 WeakPolarHBondContact CG2-OG1 3.4Å; T473-T485 WeakPolarHBondContact OG1-CG2 3.45Å; T473-T485 PolarHBondContact OG1-OG1 3.23Å
486	V	91.5	Very high	88.5	Confident	12 Å²	12	69.9 Å²	69.9	7%	0.073	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.5	-178.1	179	0	0	0	0	109.5	G471 V472 I488 L505 M512 L518	G471-V486 CarbonylContact C-O 3.58Å; G471-V486 WeakPolarHBondContact CA-O 3.35Å; V472-V486 PolarHBondContact N-O 3.36Å; V472-V486 PolarHBondContact O-N 2.87Å; V486-I488 HydrophobicContact CG1-CG2 4.18Å; V486-I488 PolarHBondContact O-N 3.48Å; V486-L505 HydrophobicContact CG1-CD1 4.42Å; V486-M512 HydrophobicContact CG1-CG 4.49Å; V486-M512 HydrophobicContact CG1-SD 3.16Å; V486-M512 WeakPolarHBondContact CG1-SD 3.48Å; V486-L518 HydrophobicContact CG2-CB 3.69Å; V486-L518 HydrophobicContact CG2-CD1 4.04Å; V486-L518 HydrophobicContact CG2-CD2 4.42Å; V486-L518 HydrophobicContact CG2-CG 4.29Å; V486-L518 WeakPolarHBondContact CG2-O 3.41Å
487	K	90.8	Very high	88.6	Confident	191 Å²	191	69.5 Å²	69.5	83%	0.83	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	101.2	178.8	-65.9	-173.1	179	-176.2	0	110.3
488	I	86.8	Confident	88.5	Confident	11 Å²	11	74.6 Å²	74.6	6%	0.056	38%	0.38	C	S	.	.			trans	-151.1	109.4	172.2	176.8	166.4	0	0	0	109.4	D470 V472 V486 V491 L505 A507 M512	D470-I488 CarbonylContact O-C 3.6Å; D470-I488 PolarHBondContact O-N 3.31Å; D470-I488 VanDerWaalsContact O-N 3.11Å; V472-I488 HydrophobicContact CG2-CG2 4.23Å; V486-I488 HydrophobicContact CG1-CG2 4.18Å; V486-I488 PolarHBondContact O-N 3.48Å; I488-V491 HydrophobicContact CB-CG2 4.12Å; I488-V491 HydrophobicContact CD1-CG2 3.86Å; I488-V491 HydrophobicContact CG1-CG2 3.65Å; I488-V491 HydrophobicContact CG2-CG2 3.5Å; I488-V491 VanDerWaalsContact CG2-CG2 3.5Å; I488-L505 HydrophobicContact CD1-CB 4.29Å; I488-L505 HydrophobicContact CG2-CD1 3.9Å; I488-A507 HydrophobicContact CD1-CB 4.25Å; I488-A507 HydrophobicContact CG1-CB 4.4Å; I488-M512 HydrophobicContact CB-CE 4.43Å; I488-M512 HydrophobicContact CB-SD 4.14Å; I488-M512 HydrophobicContact CD1-CB 3.66Å; I488-M512 HydrophobicContact CG2-SD 4.23Å
489	A	83.3	Confident	88.5	Confident	54 Å²	54	72.6 Å²	72.6	45%	0.446	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	135.8	-176	0	0	0	0	0	112.3	A469 V491	A469-A489 WeakPolarHBondContact O-CA 3.2Å; A489-V491 PolarHBondContact O-N 3.5Å
490	K	85.1	Confident	88.5	Confident	138 Å²	138	69.7 Å²	69.7	60%	0.6	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	43.6	167.6	-58.1	172.8	-177.5	171	0	114.3	A469 K492	A469-K490 PolarHBondContact O-N 2.88Å; K490-K492 VanDerWaalsContact O-CG 3.32Å; K490-K492 WeakPolarHBondContact O-CG 3.42Å
491	V	90.1	Very high	88.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.349	C	S	.	.			trans	-52	140.4	164.2	176.4	0	0	0	0	109.6	F457 R467 V472 I488 A489 V494 L505	F457-V491 HydrophobicContact CE2-CG1 4.5Å; R467-V491 WeakPolarHBondContact CD-O 3.43Å; R467-V491 PolarHBondContact NE-O 3.47Å; V472-V491 HydrophobicContact CG2-CB 3.98Å; V472-V491 HydrophobicContact CG2-CG1 4.44Å; V472-V491 HydrophobicContact CG2-CG2 3.71Å; I488-V491 HydrophobicContact CB-CG2 4.12Å; I488-V491 HydrophobicContact CD1-CG2 3.86Å; I488-V491 HydrophobicContact CG1-CG2 3.65Å; I488-V491 HydrophobicContact CG2-CG2 3.5Å; I488-V491 VanDerWaalsContact CG2-CG2 3.5Å; A489-V491 PolarHBondContact O-N 3.5Å; V491-V494 HydrophobicContact CG1-CG2 4.29Å; V491-L505 HydrophobicContact CG1-CB 4.27Å; V491-L505 HydrophobicContact CG2-CB 4.17Å
492	K	88	Confident	88.9	Confident	76 Å²	76	60.8 Å²	60.8	33%	0.33	34%	0.335	S	S	.	.			trans	-121.6	-26.7	-176	-55.3	-163.2	176.7	-162.6	0	113.2	K490 L506	K490-K492 VanDerWaalsContact O-CG 3.32Å; K490-K492 WeakPolarHBondContact O-CG 3.42Å; K492-L506 PolarHBondContact N-O 2.84Å
493	Y	89.9	Confident	89.2	Confident	51 Å²	51	57.1 Å²	57.1	20%	0.2	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147.5	-178.6	-50.7	-76.8	0	0	0	109	R323 L506	R323-Y493 VanDerWaalsContact NH1-CD2 3.32Å; Y493-L506 PolarHBondContact N-O 2.93Å; Y493-L506 PolarHBondContact O-N 2.86Å
494	V	92.8	Very high	89.4	Confident	28 Å²	28	53.1 Å²	53.1	17%	0.17	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.8	175.8	178	0	0	0	0	107.2	F457 L465 V491 V503 A504 L505	F457-V494 HydrophobicContact CB-CB 4.18Å; F457-V494 HydrophobicContact CB-CG2 3.77Å; F457-V494 HydrophobicContact CD1-CB 4.39Å; F457-V494 HydrophobicContact CD1-CG2 3.92Å; F457-V494 HydrophobicContact CD2-CG2 3.74Å; F457-V494 HydrophobicContact CE1-CG2 4.45Å; F457-V494 HydrophobicContact CE2-CG2 4.28Å; F457-V494 HydrophobicContact CG-CB 4.27Å; F457-V494 HydrophobicContact CG-CG2 3.54Å; L465-V494 HydrophobicContact CD1-CB 4.46Å; L465-V494 HydrophobicContact CD1-CG1 3.7Å; L465-V494 HydrophobicContact CD1-CG2 4.06Å; V491-V494 HydrophobicContact CG1-CG2 4.29Å; V494-V503 HydrophobicContact CG1-CG2 3.35Å; V494-A504 WeakPolarHBondContact CA-O 3.41Å; V494-L505 HydrophobicContact CB-CD2 4.48Å; V494-L505 HydrophobicContact CG1-CD2 4.1Å; V494-L505 HydrophobicContact CG2-CD2 3.8Å
495	V	92.7	Very high	89.7	Confident	30 Å²	30	51.8 Å²	51.8	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	111.5	179.2	-172.4	0	0	0	0	109.5	A504 L506 W535 F541	V495-A504 PolarHBondContact N-O 3.08Å; V495-A504 PolarHBondContact O-N 3.31Å; V495-L506 HydrophobicContact CG2-CD1 4.02Å; V495-W535 PolarHBondContact O-NE1 3.48Å; V495-F541 HydrophobicContact CB-CE2 4.13Å; V495-F541 HydrophobicContact CG1-CE2 4.16Å
496	W	91.5	Very high	89.8	Confident	44 Å²	44	47.6 Å²	47.6	17%	0.167	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	148.7	174.7	-70.6	93.7	0	0	0	111.2	Y458 A459 L465 V503 R516 W535	Y458-W496 PolarHBondContact O-NE1 2.89Å; A459-W496 HydrophobicContact CB-CZ2 4.17Å; L465-W496 HydrophobicContact CD1-CZ2 4.15Å; W496-V503 HydrophobicContact CD2-CB 3.93Å; W496-V503 HydrophobicContact CD2-CG2 3.86Å; W496-V503 HydrophobicContact CE3-CB 3.74Å; W496-V503 HydrophobicContact CE3-CG2 4.2Å; W496-V503 HydrophobicContact CG-CG2 4.33Å; W496-V503 HydrophobicContact CH2-CB 3.93Å; W496-V503 HydrophobicContact CH2-CG1 4.13Å; W496-V503 HydrophobicContact CH2-CG2 4.26Å; W496-V503 HydrophobicContact CZ2-CB 4.1Å; W496-V503 HydrophobicContact CZ2-CG2 3.91Å; W496-V503 HydrophobicContact CZ3-CB 3.75Å; W496-V503 HydrophobicContact CZ3-CG1 4.23Å; W496-V503 HydrophobicContact CZ3-CG2 4.4Å; W496-R516 HydrophobicContact CZ3-CB 4.43Å; W496-R516 HydrophobicContact CZ3-CG 4.37Å; W496-W535 VanDerWaalsContact O-CD1 3.24Å
497	S	90.8	Very high	89.9	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.063	25%	0.252	C	S	.	.			trans	-67.8	159.7	165.1	60.1	0	0	0	0	110.9	D499 T500 S501 H502 W535	S497-D499 VanDerWaalsContact C-N 3.26Å; S497-D499 WeakPolarHBondContact CB-OD1 3.2Å; S497-D499 PolarHBondContact O-N 2.98Å; S497-D499 PolarHBondContact OG-OD1 3.44Å; S497-T500 PolarHBondContact O-N 2.96Å; S497-T500 PolarHBondContact OG-N 3.43Å; S497-S501 PolarHBondContact OG-N 3.04Å; S497-S501 PolarHBondContact OG-OG 3.15Å; S497-H502 PolarHBondContact N-O 2.98Å; S497-H502 PolarHBondContact OG-N 3.33Å; S497-H502 PolarHBondContact OG-O 2.98Å; S497-W535 VanDerWaalsContact CA-CD1 3.45Å; S497-W535 VanDerWaalsContact N-CD1 3.34Å
498	S	85.1	Confident	89.8	Confident	117 Å²	117	43.3 Å²	43.3	82%	0.818	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.2	-177.3	43	0	0	0	0	113.6
499	D	84.6	Confident	90	Very high	102 Å²	102	45 Å²	45	55%	0.545	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.9	176	68.1	-20	0	0	0	113.6	S497 S501	S497-D499 VanDerWaalsContact C-N 3.26Å; S497-D499 WeakPolarHBondContact CB-OD1 3.2Å; S497-D499 PolarHBondContact O-N 2.98Å; S497-D499 PolarHBondContact OG-OD1 3.44Å; D499-S501 PolarHBondContact O-N 2.58Å; D499-S501 PolarHBondContact OD1-N 3.3Å; D499-S501 VanDerWaalsContact OD1-N 3.15Å; D499-S501 PolarHBondContact OD1-OG 3.06Å; D499-S501 WeakPolarHBondContact OD2-CB 3.42Å; D499-S501 PolarHBondContact OD2-OG 3.25Å
500	T	85.8	Confident	90.5	Very high	47 Å²	47	43.3 Å²	43.3	29%	0.288	23%	0.227	S	C	.	.	S	Bend	trans	61.6	16.8	-174.1	71.7	0	0	0	0	116.2	S497 R516	S497-T500 PolarHBondContact O-N 2.96Å; S497-T500 PolarHBondContact OG-N 3.43Å; T500-R516 WeakPolarHBondContact O-CD 3.36Å
501	S	89.1	Confident	90.9	Very high	39 Å²	39	36.7 Å²	36.7	27%	0.273	20%	0.198	S	C	.	.	S	Bend	trans	-71.5	-35.8	176	60.2	0	0	0	0	113.2	S497 D499 N515 R516	S497-S501 PolarHBondContact OG-N 3.04Å; S497-S501 PolarHBondContact OG-OG 3.15Å; D499-S501 PolarHBondContact O-N 2.58Å; D499-S501 PolarHBondContact OD1-N 3.3Å; D499-S501 VanDerWaalsContact OD1-N 3.15Å; D499-S501 PolarHBondContact OD1-OG 3.06Å; D499-S501 WeakPolarHBondContact OD2-CB 3.42Å; D499-S501 PolarHBondContact OD2-OG 3.25Å; S501-N515 CarbonylContact O-C 3.58Å; S501-N515 WeakPolarHBondContact O-CA 3.28Å; S501-R516 PolarHBondContact O-N 3Å
502	H	92.1	Very high	91.1	Very high	49 Å²	49	37.3 Å²	37.3	23%	0.227	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.3	-174.7	-63.6	-68.3	0	0	0	112.7	S497 C514 L521 W535	S497-H502 PolarHBondContact N-O 2.98Å; S497-H502 PolarHBondContact OG-N 3.33Å; S497-H502 PolarHBondContact OG-O 2.98Å; H502-C514 WeakPolarHBondContact CA-O 3.48Å; H502-L521 WeakPolarHBondContact ND1-CD1 3.46Å; H502-W535 HydrophobicContact CB-CH2 3.53Å; H502-W535 HydrophobicContact CB-CZ2 3.66Å; H502-W535 HydrophobicContact CB-CZ3 4.09Å
503	V	93.8	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.5	177.6	64.1	0	0	0	0	111	V494 W496 L505 I513 C514 L518	V494-V503 HydrophobicContact CG1-CG2 3.35Å; W496-V503 HydrophobicContact CD2-CB 3.93Å; W496-V503 HydrophobicContact CD2-CG2 3.86Å; W496-V503 HydrophobicContact CE3-CB 3.74Å; W496-V503 HydrophobicContact CE3-CG2 4.2Å; W496-V503 HydrophobicContact CG-CG2 4.33Å; W496-V503 HydrophobicContact CH2-CB 3.93Å; W496-V503 HydrophobicContact CH2-CG1 4.13Å; W496-V503 HydrophobicContact CH2-CG2 4.26Å; W496-V503 HydrophobicContact CZ2-CB 4.1Å; W496-V503 HydrophobicContact CZ2-CG2 3.91Å; W496-V503 HydrophobicContact CZ3-CB 3.75Å; W496-V503 HydrophobicContact CZ3-CG1 4.23Å; W496-V503 HydrophobicContact CZ3-CG2 4.4Å; V503-L505 HydrophobicContact CG2-CD2 4.17Å; V503-I513 WeakPolarHBondContact O-CA 3.31Å; V503-C514 HydrophobicContact CG1-CB 3.83Å; V503-C514 PolarHBondContact N-O 3.37Å; V503-C514 PolarHBondContact O-N 3.46Å; V503-L518 HydrophobicContact CG1-CD2 3.98Å
504	A	94.7	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.8	173.8	0	0	0	0	0	110.2	V494 V495 L506 W535 F541	V494-A504 WeakPolarHBondContact CA-O 3.41Å; V495-A504 PolarHBondContact N-O 3.08Å; V495-A504 PolarHBondContact O-N 3.31Å; A504-L506 HydrophobicContact CB-CD2 4.41Å; A504-W535 HydrophobicContact CB-CZ2 4Å; A504-F541 HydrophobicContact CB-CD1 4.12Å; A504-F541 HydrophobicContact CB-CD2 3.84Å; A504-F541 HydrophobicContact CB-CE1 3.81Å; A504-F541 HydrophobicContact CB-CE2 3.51Å; A504-F541 HydrophobicContact CB-CG 4.14Å; A504-F541 HydrophobicContact CB-CZ 3.5Å
505	L	94.6	Very high	91.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.5	175.3	-55	179.8	0	0	0	109	L465 V472 V486 I488 V491 V494 V503 I511 M512	L465-L505 HydrophobicContact CD1-CD2 4.39Å; V472-L505 HydrophobicContact CB-CD1 4.5Å; V486-L505 HydrophobicContact CG1-CD1 4.42Å; I488-L505 HydrophobicContact CD1-CB 4.29Å; I488-L505 HydrophobicContact CG2-CD1 3.9Å; V491-L505 HydrophobicContact CG1-CB 4.27Å; V491-L505 HydrophobicContact CG2-CB 4.17Å; V494-L505 HydrophobicContact CB-CD2 4.48Å; V494-L505 HydrophobicContact CG1-CD2 4.1Å; V494-L505 HydrophobicContact CG2-CD2 3.8Å; V503-L505 HydrophobicContact CG2-CD2 4.17Å; L505-I511 WeakPolarHBondContact O-CA 3.45Å; L505-M512 HydrophobicContact CB-CB 4.41Å; L505-M512 PolarHBondContact N-O 3.18Å; L505-M512 PolarHBondContact O-N 3.2Å
506	L	94	Very high	91.4	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	108.6	-174.2	-52.4	-178.1	0	0	0	111.4	K492 Y493 V495 A504 I511 V530 F541	K492-L506 PolarHBondContact N-O 2.84Å; Y493-L506 PolarHBondContact N-O 2.93Å; Y493-L506 PolarHBondContact O-N 2.86Å; V495-L506 HydrophobicContact CG2-CD1 4.02Å; A504-L506 HydrophobicContact CB-CD2 4.41Å; L506-I511 HydrophobicContact CD2-CB 4.28Å; L506-I511 HydrophobicContact CD2-CD1 4.24Å; L506-I511 HydrophobicContact CD2-CG1 3.83Å; L506-I511 HydrophobicContact CD2-CG2 3.82Å; L506-V530 HydrophobicContact CD2-CG1 4.45Å; L506-F541 HydrophobicContact CD1-CZ 4.32Å; L506-F541 HydrophobicContact CD2-CE1 3.76Å; L506-F541 HydrophobicContact CD2-CZ 3.8Å
507	A	92.6	Very high	91.3	Very high	10 Å²	10	42.3 Å²	42.3	8%	0.083	22%	0.217	C	C	.	.			trans	-88.4	-166	169.1	0	0	0	0	0	111.4	I488 A510	I488-A507 HydrophobicContact CD1-CB 4.25Å; I488-A507 HydrophobicContact CG1-CB 4.4Å; A507-A510 HydrophobicContact CB-CB 4.15Å; A507-A510 PolarHBondContact N-O 3.4Å
508	K	89.1	Confident	91.2	Very high	102 Å²	102	42.2 Å²	42.2	44%	0.443	22%	0.216	S	C	.	.	S	Bend	trans	-68.5	-41.4	177.3	-171.2	-168.8	169.8	-136.5	0	112.1	R529 V530	K508-R529 HydrophobicContact CG-CG 4.11Å; K508-R529 WeakPolarHBondContact O-CA 3.49Å; K508-V530 PolarHBondContact O-N 3.02Å
509	H	91.3	Very high	91.4	Very high	48 Å²	48	41.7 Å²	41.7	22%	0.222	20%	0.201	C	C	.	.	S	Bend	trans	-137.9	12.6	-171.4	-68.1	-76.6	0	0	0	112.3	H525 E526 N527	H509-H525 WeakPolarHBondContact O-CA 3.38Å; H509-H525 PolarHBondContact O-ND1 2.98Å; H509-E526 VanDerWaalsContact CB-O 3.28Å; H509-E526 WeakPolarHBondContact CB-O 3.27Å; H509-E526 PolarHBondContact ND1-O 2.85Å; H509-E526 PolarHBondContact O-N 3.2Å; H509-N527 PolarHBondContact CE1-O 2.92Å; H509-N527 PolarHBondContact ND1-O 3.43Å; H509-N527 VanDerWaalsContact ND1-O 3.13Å
510	A	92.3	Very high	91.7	Very high	17 Å²	17	40.2 Å²	40.2	14%	0.14	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.6	179.5	0	0	0	0	0	110.1	A507 I524	A507-A510 HydrophobicContact CB-CB 4.15Å; A507-A510 PolarHBondContact N-O 3.4Å; A510-I524 CarbonylContact C-O 3.55Å; A510-I524 VanDerWaalsContact CA-O 3.27Å; A510-I524 WeakPolarHBondContact CA-O 3.36Å
511	I	94.4	Very high	91.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.3	174.5	-58.9	178.3	0	0	0	106	L505 L506 I513 I524 V530 F541 Y543	L505-I511 WeakPolarHBondContact O-CA 3.45Å; L506-I511 HydrophobicContact CD2-CB 4.28Å; L506-I511 HydrophobicContact CD2-CD1 4.24Å; L506-I511 HydrophobicContact CD2-CG1 3.83Å; L506-I511 HydrophobicContact CD2-CG2 3.82Å; I511-I513 HydrophobicContact CG2-CG1 4.41Å; I511-I524 HydrophobicContact CB-CB 4.41Å; I511-I524 PolarHBondContact N-O 3.29Å; I511-I524 PolarHBondContact O-N 2.94Å; I511-V530 HydrophobicContact CD1-CG1 3.99Å; I511-V530 HydrophobicContact CD1-CG2 3.96Å; I511-V530 HydrophobicContact CG1-CG1 4.25Å; I511-V530 HydrophobicContact CG1-CG2 3.97Å; I511-F541 HydrophobicContact CD1-CE1 4.45Å; I511-F541 HydrophobicContact CG2-CD1 4.18Å; I511-F541 HydrophobicContact CG2-CE1 3.96Å; I511-Y543 HydrophobicContact CD1-CD1 3.81Å; I511-Y543 HydrophobicContact CD1-CD2 3.33Å; I511-Y543 HydrophobicContact CD1-CE1 3.93Å; I511-Y543 HydrophobicContact CD1-CE2 3.45Å; I511-Y543 VanDerWaalsContact CD1-CE2 3.45Å; I511-Y543 HydrophobicContact CD1-CG 3.5Å
512	M	93.9	Very high	92	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.064	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	175.6	-177.2	171.2	-79.5	0	0	109	V486 I488 L505 C522 N523	V486-M512 HydrophobicContact CG1-CG 4.49Å; V486-M512 HydrophobicContact CG1-SD 3.16Å; V486-M512 WeakPolarHBondContact CG1-SD 3.48Å; I488-M512 HydrophobicContact CB-CE 4.43Å; I488-M512 HydrophobicContact CB-SD 4.14Å; I488-M512 HydrophobicContact CD1-CB 3.66Å; I488-M512 HydrophobicContact CG2-SD 4.23Å; L505-M512 HydrophobicContact CB-CB 4.41Å; L505-M512 PolarHBondContact N-O 3.18Å; L505-M512 PolarHBondContact O-N 3.2Å; M512-C522 WeakPolarHBondContact CA-O 3.46Å; M512-N523 HydrophobicContact CE-CB 3.94Å
513	I	94.7	Very high	92.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.6	177	-61.8	-178	0	0	0	107.6	V503 I511 L521 C522 W535 F541 A552 T554	V503-I513 WeakPolarHBondContact O-CA 3.31Å; I511-I513 HydrophobicContact CG2-CG1 4.41Å; I513-L521 HydrophobicContact CG2-CB 4.47Å; I513-L521 HydrophobicContact CG2-CD1 4.3Å; I513-L521 WeakPolarHBondContact O-CB 3.26Å; I513-L521 PolarHBondContact O-N 3.45Å; I513-C522 PolarHBondContact N-O 3.43Å; I513-C522 PolarHBondContact O-N 2.98Å; I513-W535 HydrophobicContact CD1-CH2 4.07Å; I513-W535 HydrophobicContact CG1-CH2 4.41Å; I513-W535 HydrophobicContact CG2-CH2 3.65Å; I513-W535 HydrophobicContact CG2-CZ2 4.21Å; I513-F541 HydrophobicContact CD1-CB 3.95Å; I513-F541 HydrophobicContact CD1-CG 4.47Å; I513-A552 HydrophobicContact CD1-CB 4.08Å; I513-T554 HydrophobicContact CG2-CG2 4.42Å
514	C	94.1	Very high	92	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	163.6	173.5	-55.8	0	0	0	0	110.6	H502 V503 L518 E519	H502-C514 WeakPolarHBondContact CA-O 3.48Å; V503-C514 HydrophobicContact CG1-CB 3.83Å; V503-C514 PolarHBondContact N-O 3.37Å; V503-C514 PolarHBondContact O-N 3.46Å; C514-L518 HydrophobicContact CB-CD2 4.17Å; C514-E519 CarbonylContact C-O 3.6Å; C514-E519 WeakPolarHBondContact CA-O 3.39Å; C514-E519 VanDerWaalsContact CB-O 3.29Å; C514-E519 WeakPolarHBondContact CB-O 3.45Å
515	N	92.6	Very high	91.9	Very high	32 Å²	32	49.1 Å²	49.1	17%	0.171	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	176.5	162.2	72.5	14.3	0	0	0	111.4	S501 K517 L518 E519 L521	S501-N515 CarbonylContact O-C 3.58Å; S501-N515 WeakPolarHBondContact O-CA 3.28Å; N515-K517 PolarHBondContact O-N 3.05Å; N515-K517 VanDerWaalsContact O-N 3.12Å; N515-K517 WeakPolarHBondContact OD1-CA 3.16Å; N515-K517 WeakPolarHBondContact OD1-CB 3.27Å; N515-K517 PolarHBondContact OD1-N 3.32Å; N515-L518 WeakPolarHBondContact O-CA 3.44Å; N515-L518 PolarHBondContact O-N 3.16Å; N515-L518 PolarHBondContact OD1-N 3.5Å; N515-E519 PolarHBondContact N-O 3.42Å; N515-E519 PolarHBondContact ND2-OE2 3.48Å; N515-E519 WeakPolarHBondContact OD1-CB 3.28Å; N515-E519 PolarHBondContact OD1-N 3.15Å; N515-L521 HydrophobicContact CB-CD1 4.39Å
516	R	89.3	Confident	91.7	Very high	158 Å²	158	49.5 Å²	49.5	60%	0.596	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25	177.6	-175.4	172.1	169.8	171.4	-5.4	115.1	W496 T500 S501 L518	W496-R516 HydrophobicContact CZ3-CB 4.43Å; W496-R516 HydrophobicContact CZ3-CG 4.37Å; T500-R516 WeakPolarHBondContact O-CD 3.36Å; S501-R516 PolarHBondContact O-N 3Å; R516-L518 VanDerWaalsContact C-N 3.27Å
517	K	87.8	Confident	91.3	Very high	143 Å²	143	56.2 Å²	56.2	62%	0.622	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	2.8	175.4	-61.9	-177.3	-176.8	173.8	0	113.4	A484 N515 E519	A484-K517 VanDerWaalsContact CB-O 3.29Å; A484-K517 WeakPolarHBondContact CB-O 3Å; N515-K517 PolarHBondContact O-N 3.05Å; N515-K517 VanDerWaalsContact O-N 3.12Å; N515-K517 WeakPolarHBondContact OD1-CA 3.16Å; N515-K517 WeakPolarHBondContact OD1-CB 3.27Å; N515-K517 PolarHBondContact OD1-N 3.32Å; K517-E519 VanDerWaalsContact C-N 3.29Å; K517-E519 HydrophobicContact CB-CG 4.34Å; K517-E519 WeakPolarHBondContact CD-OE1 3.27Å
518	L	89	Confident	90.9	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.037	28%	0.28	C	S	.	.			trans	64.1	21.6	-169.5	-73.6	-167.8	0	0	0	115.4	L465 L474 A484 V486 V503 C514 N515 R516 S520	L465-L518 HydrophobicContact CD2-CD1 3.72Å; L465-L518 HydrophobicContact CD2-CD2 4.04Å; L465-L518 HydrophobicContact CD2-CG 4.18Å; L474-L518 HydrophobicContact CB-CD1 3.57Å; L474-L518 HydrophobicContact CB-CG 4.05Å; A484-L518 HydrophobicContact CB-CB 3.94Å; V486-L518 HydrophobicContact CG2-CB 3.69Å; V486-L518 HydrophobicContact CG2-CD1 4.04Å; V486-L518 HydrophobicContact CG2-CD2 4.42Å; V486-L518 HydrophobicContact CG2-CG 4.29Å; V486-L518 WeakPolarHBondContact CG2-O 3.41Å; V503-L518 HydrophobicContact CG1-CD2 3.98Å; C514-L518 HydrophobicContact CB-CD2 4.17Å; N515-L518 WeakPolarHBondContact O-CA 3.44Å; N515-L518 PolarHBondContact O-N 3.16Å; N515-L518 PolarHBondContact OD1-N 3.5Å; R516-L518 VanDerWaalsContact C-N 3.27Å; L518-S520 PolarHBondContact O-N 3.09Å
519	E	89.9	Confident	90.8	Very high	107 Å²	107	57 Å²	57	50%	0.5	28%	0.277	S	S	.	.			trans	-71	126.6	168	-62.7	158.6	-170.3	0	0	108.8	C514 N515 K517 L521	C514-E519 CarbonylContact C-O 3.6Å; C514-E519 WeakPolarHBondContact CA-O 3.39Å; C514-E519 VanDerWaalsContact CB-O 3.29Å; C514-E519 WeakPolarHBondContact CB-O 3.45Å; N515-E519 PolarHBondContact N-O 3.42Å; N515-E519 PolarHBondContact ND2-OE2 3.48Å; N515-E519 WeakPolarHBondContact OD1-CB 3.28Å; N515-E519 PolarHBondContact OD1-N 3.15Å; K517-E519 VanDerWaalsContact C-N 3.29Å; K517-E519 HydrophobicContact CB-CG 4.34Å; K517-E519 WeakPolarHBondContact CD-OE1 3.27Å; E519-L521 PolarHBondContact O-N 3.47Å
520	S	90.4	Very high	90.9	Very high	70 Å²	70	55.2 Å²	55.2	49%	0.49	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.7	-176.8	171	0	0	0	0	111	L518	L518-S520 PolarHBondContact O-N 3.09Å
521	L	90.8	Very high	90.8	Very high	73 Å²	73	55.7 Å²	55.7	38%	0.382	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-49.6	176.6	-57.7	178.4	0	0	0	111.1	H502 I513 N515 E519 T554	H502-L521 WeakPolarHBondContact ND1-CD1 3.46Å; I513-L521 HydrophobicContact CG2-CB 4.47Å; I513-L521 HydrophobicContact CG2-CD1 4.3Å; I513-L521 WeakPolarHBondContact O-CB 3.26Å; I513-L521 PolarHBondContact O-N 3.45Å; N515-L521 HydrophobicContact CB-CD1 4.39Å; E519-L521 PolarHBondContact O-N 3.47Å; L521-T554 HydrophobicContact CD1-CG2 4.33Å
522	C	90.9	Very high	90.7	Very high	11 Å²	11	55.7 Å²	55.7	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.5	175.8	77.5	0	0	0	0	113.1	M512 I513	M512-C522 WeakPolarHBondContact CA-O 3.46Å; I513-C522 PolarHBondContact N-O 3.43Å; I513-C522 PolarHBondContact O-N 2.98Å
523	N	93.1	Very high	90.7	Very high	102 Å²	102	55.2 Å²	55.2	55%	0.545	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.7	174.5	-176.9	14.9	0	0	0	109.2	M512	M512-N523 HydrophobicContact CE-CB 3.94Å
524	I	92.7	Very high	90.6	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	-174.9	-61	168.8	0	0	0	108.2	A510 I511 A552 H558	A510-I524 CarbonylContact C-O 3.55Å; A510-I524 VanDerWaalsContact CA-O 3.27Å; A510-I524 WeakPolarHBondContact CA-O 3.36Å; I511-I524 HydrophobicContact CB-CB 4.41Å; I511-I524 PolarHBondContact N-O 3.29Å; I511-I524 PolarHBondContact O-N 2.94Å; I524-A552 HydrophobicContact CD1-CB 3.32Å; I524-H558 HydrophobicContact CD1-CB 4.19Å
525	H	92.6	Very high	90.6	Very high	132 Å²	132	56.5 Å²	56.5	61%	0.611	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.5	176.3	-165	80.5	0	0	0	111.4	H509	H509-H525 WeakPolarHBondContact O-CA 3.38Å; H509-H525 PolarHBondContact O-ND1 2.98Å
526	E	89.6	Confident	90.5	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.037	27%	0.266	C	S	.	.			trans	-131.7	113.1	-173.3	-84.5	-67.4	155.9	0	0	111.5	H509 I528 V530 Y543 K550	H509-E526 VanDerWaalsContact CB-O 3.28Å; H509-E526 WeakPolarHBondContact CB-O 3.27Å; H509-E526 PolarHBondContact ND1-O 2.85Å; H509-E526 PolarHBondContact O-N 3.2Å; E526-I528 PolarHBondContact O-N 2.86Å; E526-V530 HydrophobicContact CB-CG2 4.08Å; E526-V530 HydrophobicContact CG-CG2 4.33Å; E526-Y543 HydrophobicContact CG-CE2 4.14Å; E526-Y543 PolarHBondContact OE1-OH 2.81Å; E526-Y543 VanDerWaalsContact OE1-OH 3.07Å; E526-K550 VanDerWaalsContact OE1-CD 3.28Å; E526-K550 WeakPolarHBondContact OE1-CD 3.45Å; E526-K550 WeakPolarHBondContact OE1-CE 3.35Å; E526-K550 IonicContact OE1-NZ 3.24Å; E526-K550 PolarHBondContact OE1-NZ 3.23Å; E526-K550 IonicContact OE2-NZ 3.41Å; E526-K550 PolarHBondContact OE2-NZ 3.05Å
527	N	86.3	Confident	90.3	Very high	143 Å²	143	53.6 Å²	53.6	77%	0.765	27%	0.265	S	S	*	.	S	Bend	trans	-55.1	-39.7	174.8	-63.4	-10.8	0	0	0	111.1	H509	H509-N527 PolarHBondContact CE1-O 2.92Å; H509-N527 PolarHBondContact ND1-O 3.43Å; H509-N527 VanDerWaalsContact ND1-O 3.13Å
528	I	85.3	Confident	90	Very high	30 Å²	30	49.1 Å²	49.1	15%	0.154	25%	0.251	C	S	.	.	S	Bend	trans	-88.4	126.8	178.7	-54.1	-179.8	0	0	0	110	E526 V530 N547	E526-I528 PolarHBondContact O-N 2.86Å; I528-V530 PolarHBondContact O-N 2.9Å; I528-V530 VanDerWaalsContact O-N 3.16Å; I528-N547 HydrophobicContact CD1-CB 4.17Å
529	R	86.9	Confident	89.9	Confident	100 Å²	100	50.2 Å²	50.2	38%	0.377	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-52.7	120.6	-178.6	175.8	173.4	175.9	177.4	1.2	113.6	K508 S546	K508-R529 HydrophobicContact CG-CG 4.11Å; K508-R529 WeakPolarHBondContact O-CA 3.49Å; R529-S546 PolarHBondContact O-N 2.93Å; R529-S546 PolarHBondContact O-OG 2.95Å
530	V	91.4	Very high	90	Very high	10 Å²	10	45.1 Å²	45.1	6%	0.061	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.9	142.2	173.7	-174.6	0	0	0	0	111	L506 K508 I511 E526 I528 Y543	L506-V530 HydrophobicContact CD2-CG1 4.45Å; K508-V530 PolarHBondContact O-N 3.02Å; I511-V530 HydrophobicContact CD1-CG1 3.99Å; I511-V530 HydrophobicContact CD1-CG2 3.96Å; I511-V530 HydrophobicContact CG1-CG1 4.25Å; I511-V530 HydrophobicContact CG1-CG2 3.97Å; E526-V530 HydrophobicContact CB-CG2 4.08Å; E526-V530 HydrophobicContact CG-CG2 4.33Å; I528-V530 PolarHBondContact O-N 2.9Å; I528-V530 VanDerWaalsContact O-N 3.16Å; V530-Y543 HydrophobicContact CG1-CD2 4.4Å
531	K	90.8	Very high	90.2	Very high	27 Å²	27	41.8 Å²	41.8	12%	0.117	22%	0.217	C	C	.	.			trans	-106.1	-59.1	177.5	-53.4	-56.9	176.1	-160.4	0	111.4	R323 T544 T545 S546 P567 Y569	R323-K531 PolarHBondContact NH1-O 3.22Å; K531-T544 PolarHBondContact N-O 3.07Å; K531-T545 WeakPolarHBondContact CG-O 3.16Å; K531-S546 VanDerWaalsContact CE-CA 3.46Å; K531-S546 WeakPolarHBondContact CE-OG 3.25Å; K531-S546 PolarHBondContact NZ-OG 2.86Å; K531-P567 HydrophobicContact CG-CB 4.39Å; K531-Y569 HydrophobicContact CB-CD1 4.28Å; K531-Y569 HydrophobicContact CB-CE1 4.21Å
532	S	92.5	Very high	90.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	162.7	-166.5	38.7	0	0	0	0	109.4	Y543 T544 Y569 V570	S532-Y543 CarbonylContact O-C 3.59Å; S532-Y543 VanDerWaalsContact O-CA 3.27Å; S532-Y543 WeakPolarHBondContact O-CA 3.36Å; S532-Y543 WeakPolarHBondContact O-CB 3.3Å; S532-T544 PolarHBondContact O-N 2.84Å; S532-T544 PolarHBondContact O-OG1 3.36Å; S532-T544 PolarHBondContact OG-OG1 2.81Å; S532-Y569 VanDerWaalsContact OG-CA 3.27Å; S532-Y569 WeakPolarHBondContact OG-CA 3.32Å; S532-V570 PolarHBondContact OG-N 3.38Å
533	G	93.7	Very high	90.6	Very high	3 Å²	3	37.8 Å²	37.8	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	171.2	163.6	0	0	0	0	0	110.7	I542	G533-I542 CarbonylContact C-O 3.55Å; G533-I542 WeakPolarHBondContact CA-O 2.92Å
534	A	93.9	Very high	90.7	Very high	6 Å²	6	33 Å²	33	5%	0.05	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.3	172.9	0	0	0	0	0	108.6	I542 V570 V573	A534-I542 PolarHBondContact N-O 3.24Å; A534-I542 PolarHBondContact O-N 3.47Å; A534-I542 VanDerWaalsContact O-O 3.12Å; A534-V570 HydrophobicContact CB-CG1 3.81Å; A534-V573 HydrophobicContact CB-CG2 4.37Å
535	W	93	Very high	90.6	Very high	21 Å²	21	32.8 Å²	32.8	8%	0.08	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.4	174	-65.1	89.8	0	0	0	110.1	V495 W496 S497 H502 A504 I513 G539 F541	V495-W535 PolarHBondContact O-NE1 3.48Å; W496-W535 VanDerWaalsContact O-CD1 3.24Å; S497-W535 VanDerWaalsContact CA-CD1 3.45Å; S497-W535 VanDerWaalsContact N-CD1 3.34Å; H502-W535 HydrophobicContact CB-CH2 3.53Å; H502-W535 HydrophobicContact CB-CZ2 3.66Å; H502-W535 HydrophobicContact CB-CZ3 4.09Å; A504-W535 HydrophobicContact CB-CZ2 4Å; I513-W535 HydrophobicContact CD1-CH2 4.07Å; I513-W535 HydrophobicContact CG1-CH2 4.41Å; I513-W535 HydrophobicContact CG2-CH2 3.65Å; I513-W535 HydrophobicContact CG2-CZ2 4.21Å; W535-G539 VanDerWaalsContact CZ3-O 3.28Å; W535-G539 WeakPolarHBondContact CZ3-O 3.49Å; W535-F541 AromaticContact CD1-CD2 3.98Å; W535-F541 HydrophobicContact CD2-CB 4.21Å; W535-F541 AromaticContact CD2-CD2 3.8Å; W535-F541 HydrophobicContact CD2-CD2 3.8Å; W535-F541 HydrophobicContact CD2-CG 4.47Å; W535-F541 AromaticContact CE2-CD2 3.63Å; W535-F541 HydrophobicContact CE3-CB 3.92Å; W535-F541 HydrophobicContact CE3-CD2 4.38Å; W535-F541 HydrophobicContact CG-CD2 4.04Å; W535-F541 HydrophobicContact CH2-CB 4.05Å; W535-F541 HydrophobicContact CZ2-CB 4.31Å; W535-F541 HydrophobicContact CZ2-CD2 4.1Å; W535-F541 HydrophobicContact CZ2-CG 4.41Å; W535-F541 HydrophobicContact CZ3-CB 3.85Å; W535-F541 AromaticContact NE1-CD2 3.73Å
536	D	90.4	Very high	90.2	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.032	14%	0.144	C	C	.	.			trans	-79.8	160.4	164.2	-177.6	42.5	0	0	0	110.5	S538 G539 V540 V573	D536-S538 PolarHBondContact O-N 3.13Å; D536-S538 WeakPolarHBondContact OD2-CB 3.35Å; D536-S538 PolarHBondContact OD2-N 3.48Å; D536-S538 PolarHBondContact OD2-OG 3.26Å; D536-G539 PolarHBondContact O-N 2.81Å; D536-V540 HydrophobicContact CB-CB 4.42Å; D536-V540 PolarHBondContact N-O 3.05Å; D536-V573 HydrophobicContact CB-CB 4.49Å; D536-V573 HydrophobicContact CB-CG1 4.15Å
537	E	84.9	Confident	90	Very high	123 Å²	123	27.5 Å²	27.5	58%	0.575	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.2	178.6	-66.7	171.2	179.4	0	0	112.2	G539 R572	E537-G539 VanDerWaalsContact C-N 3.29Å; E537-G539 PolarHBondContact O-N 3.11Å; E537-R572 IonicContact OE1-NH2 3.62Å
538	S	82.9	Confident	90.2	Very high	48 Å²	48	22.4 Å²	22.4	34%	0.336	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	1.5	173.9	64.3	0	0	0	0	115.4	D536 V540	D536-S538 PolarHBondContact O-N 3.13Å; D536-S538 WeakPolarHBondContact OD2-CB 3.35Å; D536-S538 PolarHBondContact OD2-N 3.48Å; D536-S538 PolarHBondContact OD2-OG 3.26Å; S538-V540 WeakPolarHBondContact OG-CG2 3.39Å
539	G	86.1	Confident	90.6	Very high	30 Å²	30	21 Å²	21	31%	0.309	11%	0.111	S	C	.	.	S	Bend	trans	80.1	14.3	-176.6	0	0	0	0	0	114.4	W535 D536 E537	W535-G539 VanDerWaalsContact CZ3-O 3.28Å; W535-G539 WeakPolarHBondContact CZ3-O 3.49Å; D536-G539 PolarHBondContact O-N 2.81Å; E537-G539 VanDerWaalsContact C-N 3.29Å; E537-G539 PolarHBondContact O-N 3.11Å
540	V	91.8	Very high	91	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.098	C	C	.	.			trans	-90.1	135.3	175.2	176.8	0	0	0	0	110.6	D536 S538 I542 L553 Y597 L601	D536-V540 HydrophobicContact CB-CB 4.42Å; D536-V540 PolarHBondContact N-O 3.05Å; S538-V540 WeakPolarHBondContact OG-CG2 3.39Å; V540-I542 HydrophobicContact CG1-CG1 4.41Å; V540-L553 HydrophobicContact CB-CD2 4.32Å; V540-L553 HydrophobicContact CG1-CD2 3.95Å; V540-L553 HydrophobicContact CG2-CD2 3.55Å; V540-Y597 HydrophobicContact CB-CD2 4.2Å; V540-Y597 HydrophobicContact CB-CE2 4.2Å; V540-Y597 HydrophobicContact CG1-CD2 3.92Å; V540-Y597 HydrophobicContact CG1-CE2 4.17Å; V540-Y597 HydrophobicContact CG1-CG 4.28Å; V540-Y597 HydrophobicContact CG2-CD2 3.86Å; V540-Y597 HydrophobicContact CG2-CE2 4.13Å; V540-L601 HydrophobicContact CG2-CD2 3.92Å
541	F	95	Very high	91.1	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.1	177.9	-173.9	-112.4	0	0	0	111.1	V495 A504 L506 I511 I513 W535 Y543 Y551 A552	V495-F541 HydrophobicContact CB-CE2 4.13Å; V495-F541 HydrophobicContact CG1-CE2 4.16Å; A504-F541 HydrophobicContact CB-CD1 4.12Å; A504-F541 HydrophobicContact CB-CD2 3.84Å; A504-F541 HydrophobicContact CB-CE1 3.81Å; A504-F541 HydrophobicContact CB-CE2 3.51Å; A504-F541 HydrophobicContact CB-CG 4.14Å; A504-F541 HydrophobicContact CB-CZ 3.5Å; L506-F541 HydrophobicContact CD1-CZ 4.32Å; L506-F541 HydrophobicContact CD2-CE1 3.76Å; L506-F541 HydrophobicContact CD2-CZ 3.8Å; I511-F541 HydrophobicContact CD1-CE1 4.45Å; I511-F541 HydrophobicContact CG2-CD1 4.18Å; I511-F541 HydrophobicContact CG2-CE1 3.96Å; I513-F541 HydrophobicContact CD1-CB 3.95Å; I513-F541 HydrophobicContact CD1-CG 4.47Å; W535-F541 AromaticContact CD1-CD2 3.98Å; W535-F541 HydrophobicContact CD2-CB 4.21Å; W535-F541 AromaticContact CD2-CD2 3.8Å; W535-F541 HydrophobicContact CD2-CD2 3.8Å; W535-F541 HydrophobicContact CD2-CG 4.47Å; W535-F541 AromaticContact CE2-CD2 3.63Å; W535-F541 HydrophobicContact CE3-CB 3.92Å; W535-F541 HydrophobicContact CE3-CD2 4.38Å; W535-F541 HydrophobicContact CG-CD2 4.04Å; W535-F541 HydrophobicContact CH2-CB 4.05Å; W535-F541 HydrophobicContact CZ2-CB 4.31Å; W535-F541 HydrophobicContact CZ2-CD2 4.1Å; W535-F541 HydrophobicContact CZ2-CG 4.41Å; W535-F541 HydrophobicContact CZ3-CB 3.85Å; W535-F541 AromaticContact NE1-CD2 3.73Å; F541-Y543 HydrophobicContact CD1-CD1 4.04Å; F541-Y543 HydrophobicContact CE1-CD1 4.24Å; F541-Y543 HydrophobicContact CE1-CG 4.28Å; F541-Y551 CarbonylContact O-C 3.19Å; F541-Y551 WeakPolarHBondContact O-CA 3.2Å; F541-A552 HydrophobicContact CB-CB 4.37Å; F541-A552 HydrophobicContact CD1-CB 4.49Å; F541-A552 PolarHBondContact N-O 3.27Å; F541-A552 PolarHBondContact O-N 2.85Å
542	I	94.9	Very high	91.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.8	176.9	-55.2	-166.5	0	0	0	109.4	G533 A534 V540 I549 K550 I561 V573 I592 Y597	G533-I542 CarbonylContact C-O 3.55Å; G533-I542 WeakPolarHBondContact CA-O 2.92Å; A534-I542 PolarHBondContact N-O 3.24Å; A534-I542 PolarHBondContact O-N 3.47Å; A534-I542 VanDerWaalsContact O-O 3.12Å; V540-I542 HydrophobicContact CG1-CG1 4.41Å; I542-I549 HydrophobicContact CG2-CG2 3.59Å; I542-K550 WeakPolarHBondContact CA-O 3.49Å; I542-I561 HydrophobicContact CD1-CD1 4.12Å; I542-I561 HydrophobicContact CG2-CD1 4.19Å; I542-V573 HydrophobicContact CB-CG2 4.04Å; I542-V573 HydrophobicContact CD1-CG1 3.94Å; I542-V573 HydrophobicContact CD1-CG2 4.13Å; I542-V573 HydrophobicContact CG1-CG2 4.37Å; I542-V573 HydrophobicContact CG2-CG2 4.47Å; I542-I592 HydrophobicContact CD1-CD1 3.6Å; I542-Y597 HydrophobicContact CD1-CE1 4.03Å
543	Y	94.8	Very high	91.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	162.5	-177.1	68.6	-84.9	0	0	0	112.9	I511 E526 V530 S532 F541 T545 K550 A552	I511-Y543 HydrophobicContact CD1-CD1 3.81Å; I511-Y543 HydrophobicContact CD1-CD2 3.33Å; I511-Y543 HydrophobicContact CD1-CE1 3.93Å; I511-Y543 HydrophobicContact CD1-CE2 3.45Å; I511-Y543 VanDerWaalsContact CD1-CE2 3.45Å; I511-Y543 HydrophobicContact CD1-CG 3.5Å; E526-Y543 HydrophobicContact CG-CE2 4.14Å; E526-Y543 PolarHBondContact OE1-OH 2.81Å; E526-Y543 VanDerWaalsContact OE1-OH 3.07Å; V530-Y543 HydrophobicContact CG1-CD2 4.4Å; S532-Y543 CarbonylContact O-C 3.59Å; S532-Y543 VanDerWaalsContact O-CA 3.27Å; S532-Y543 WeakPolarHBondContact O-CA 3.36Å; S532-Y543 WeakPolarHBondContact O-CB 3.3Å; F541-Y543 HydrophobicContact CD1-CD1 4.04Å; F541-Y543 HydrophobicContact CE1-CD1 4.24Å; F541-Y543 HydrophobicContact CE1-CG 4.28Å; Y543-T545 HydrophobicContact CD2-CG2 4.41Å; Y543-T545 HydrophobicContact CE2-CG2 4.04Å; Y543-K550 HydrophobicContact CD1-CB 4.28Å; Y543-K550 HydrophobicContact CD2-CB 4.22Å; Y543-K550 HydrophobicContact CE1-CB 3.73Å; Y543-K550 HydrophobicContact CE2-CB 3.68Å; Y543-K550 HydrophobicContact CE2-CD 3.91Å; Y543-K550 HydrophobicContact CE2-CG 4.27Å; Y543-K550 HydrophobicContact CG-CB 4.5Å; Y543-K550 VanDerWaalsContact CZ-CB 3.41Å; Y543-K550 PolarHBondContact N-O 2.87Å; Y543-K550 PolarHBondContact O-N 3.24Å; Y543-K550 VanDerWaalsContact O-O 3.08Å; Y543-K550 WeakPolarHBondContact OH-CD 3.42Å; Y543-A552 HydrophobicContact CD1-CB 4.32Å; Y543-A552 HydrophobicContact CE1-CB 3.9Å
544	T	94.3	Very high	90.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.8	-179.3	34.9	0	0	0	0	110.5	K531 S532 H548 I549 L564 I568 V570	K531-T544 PolarHBondContact N-O 3.07Å; S532-T544 PolarHBondContact O-N 2.84Å; S532-T544 PolarHBondContact O-OG1 3.36Å; S532-T544 PolarHBondContact OG-OG1 2.81Å; T544-H548 WeakPolarHBondContact CA-O 3.37Å; T544-I549 HydrophobicContact CG2-CB 4.45Å; T544-I549 HydrophobicContact CG2-CG1 3.99Å; T544-L564 HydrophobicContact CG2-CD1 4.01Å; T544-I568 HydrophobicContact CG2-CD1 4Å; T544-I568 HydrophobicContact CG2-CG1 3.74Å; T544-I568 PolarHBondContact OG1-O 3.28Å; T544-V570 HydrophobicContact CG2-CG2 3.51Å
545	T	91.8	Very high	90.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.			trans	-87.6	-167.7	165.7	65.9	0	0	0	0	109.1	K531 Y543 N547 H548 K550	K531-T545 WeakPolarHBondContact CG-O 3.16Å; Y543-T545 HydrophobicContact CD2-CG2 4.41Å; Y543-T545 HydrophobicContact CE2-CG2 4.04Å; T545-N547 PolarHBondContact O-N 2.89Å; T545-N547 PolarHBondContact OG1-N 2.8Å; T545-H548 PolarHBondContact N-O 3.29Å; T545-H548 PolarHBondContact OG1-N 3.31Å; T545-H548 PolarHBondContact OG1-O 3.17Å; T545-K550 HydrophobicContact CG2-CD 4.07Å
546	S	84.1	Confident	90.1	Very high	13 Å²	13	20.2 Å²	20.2	9%	0.091	13%	0.125	C	C	.	.	S	Bend	trans	-67.6	-22.6	170.5	-52.5	0	0	0	0	113.5	R39 R529 K531	R39-S546 PolarHBondContact NH2-O 2.89Å; R529-S546 PolarHBondContact O-N 2.93Å; R529-S546 PolarHBondContact O-OG 2.95Å; K531-S546 VanDerWaalsContact CE-CA 3.46Å; K531-S546 WeakPolarHBondContact CE-OG 3.25Å; K531-S546 PolarHBondContact NZ-OG 2.86Å
547	N	85.9	Confident	90	Very high	17 Å²	17	21.4 Å²	21.4	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-131.6	-12	-165.1	-63.7	12.3	0	0	0	113.9	R39 I528 T545 T563 L564	R39-N547 VanDerWaalsContact CZ-OD1 3.29Å; R39-N547 PolarHBondContact NE-OD1 3.08Å; R39-N547 PolarHBondContact NH2-OD1 3.45Å; I528-N547 HydrophobicContact CD1-CB 4.17Å; T545-N547 PolarHBondContact O-N 2.89Å; T545-N547 PolarHBondContact OG1-N 2.8Å; N547-T563 CarbonylContact O-C 3.57Å; N547-L564 PolarHBondContact O-N 3.41Å
548	H	90.7	Very high	90.3	Very high	36 Å²	36	19.8 Å²	19.8	17%	0.167	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	149	-175.4	-51.2	-83.8	0	0	0	112.3	T544 T545 K550 I560 R562 T563	T544-H548 WeakPolarHBondContact CA-O 3.37Å; T545-H548 PolarHBondContact N-O 3.29Å; T545-H548 PolarHBondContact OG1-N 3.31Å; T545-H548 PolarHBondContact OG1-O 3.17Å; H548-K550 HydrophobicContact CB-CG 4.18Å; H548-I560 HydrophobicContact CB-CG2 4.17Å; H548-R562 CarbonylContact C-O 3.59Å; H548-R562 VanDerWaalsContact CA-O 3.26Å; H548-R562 WeakPolarHBondContact CA-O 3.47Å; H548-T563 PolarHBondContact CE1-OG1 2.89Å; H548-T563 PolarHBondContact ND1-OG1 2.9Å
549	I	93.3	Very high	90.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	128	154.1	-48.8	-178.8	0	0	0	107.3	I542 T544 I561 R562 L564 I568 L590 I592	I542-I549 HydrophobicContact CG2-CG2 3.59Å; T544-I549 HydrophobicContact CG2-CB 4.45Å; T544-I549 HydrophobicContact CG2-CG1 3.99Å; I549-I561 HydrophobicContact CG2-CB 4.46Å; I549-I561 HydrophobicContact CG2-CD1 4.17Å; I549-I561 PolarHBondContact O-N 3.4Å; I549-R562 HydrophobicContact CB-CB 4.35Å; I549-R562 HydrophobicContact CD1-CB 4.28Å; I549-R562 HydrophobicContact CG1-CB 4.4Å; I549-R562 PolarHBondContact N-O 2.93Å; I549-R562 PolarHBondContact O-N 2.9Å; I549-L564 HydrophobicContact CD1-CD2 4.16Å; I549-L564 HydrophobicContact CG1-CD1 3.82Å; I549-L564 HydrophobicContact CG1-CD2 3.95Å; I549-L564 HydrophobicContact CG1-CG 3.99Å; I549-I568 HydrophobicContact CD1-CD1 4.24Å; I549-I568 HydrophobicContact CG1-CD1 4.34Å; I549-L590 HydrophobicContact CD1-CD1 4.21Å; I549-I592 HydrophobicContact CD1-CG2 4.09Å
550	K	93.9	Very high	90.8	Very high	26 Å²	26	20.8 Å²	20.8	11%	0.113	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159	179	-68.4	-167.9	171.7	-173.2	0	109.9	E526 I542 Y543 T545 H548 G559 I560	E526-K550 VanDerWaalsContact OE1-CD 3.28Å; E526-K550 WeakPolarHBondContact OE1-CD 3.45Å; E526-K550 WeakPolarHBondContact OE1-CE 3.35Å; E526-K550 IonicContact OE1-NZ 3.24Å; E526-K550 PolarHBondContact OE1-NZ 3.23Å; E526-K550 IonicContact OE2-NZ 3.41Å; E526-K550 PolarHBondContact OE2-NZ 3.05Å; I542-K550 WeakPolarHBondContact CA-O 3.49Å; Y543-K550 HydrophobicContact CD1-CB 4.28Å; Y543-K550 HydrophobicContact CD2-CB 4.22Å; Y543-K550 HydrophobicContact CE1-CB 3.73Å; Y543-K550 HydrophobicContact CE2-CB 3.68Å; Y543-K550 HydrophobicContact CE2-CD 3.91Å; Y543-K550 HydrophobicContact CE2-CG 4.27Å; Y543-K550 HydrophobicContact CG-CB 4.5Å; Y543-K550 VanDerWaalsContact CZ-CB 3.41Å; Y543-K550 PolarHBondContact N-O 2.87Å; Y543-K550 PolarHBondContact O-N 3.24Å; Y543-K550 VanDerWaalsContact O-O 3.08Å; Y543-K550 WeakPolarHBondContact OH-CD 3.42Å; T545-K550 HydrophobicContact CG2-CD 4.07Å; H548-K550 HydrophobicContact CB-CG 4.18Å; K550-G559 WeakPolarHBondContact CA-O 3.4Å; K550-G559 VanDerWaalsContact CB-O 3.22Å; K550-G559 WeakPolarHBondContact CB-O 3.4Å; K550-I560 HydrophobicContact CD-CG1 4.37Å; K550-I560 HydrophobicContact CG-CG1 4.16Å
551	Y	93.5	Very high	90.7	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	158.6	167.9	67	-90	0	0	0	111.1	F541 L553 H558 G559 I561 E596 Y597 K600	F541-Y551 CarbonylContact O-C 3.19Å; F541-Y551 WeakPolarHBondContact O-CA 3.2Å; Y551-L553 HydrophobicContact CD2-CD2 4.32Å; Y551-L553 HydrophobicContact CD2-CG 4.32Å; Y551-L553 HydrophobicContact CE2-CG 4.34Å; Y551-H558 VanDerWaalsContact O-CA 3.27Å; Y551-H558 WeakPolarHBondContact O-CA 3.4Å; Y551-H558 WeakPolarHBondContact O-CB 3.32Å; Y551-G559 VanDerWaalsContact CE1-CA 3.45Å; Y551-G559 PolarHBondContact N-O 2.93Å; Y551-G559 VanDerWaalsContact N-O 3.09Å; Y551-G559 PolarHBondContact O-N 2.77Å; Y551-I561 HydrophobicContact CD1-CD1 4.27Å; Y551-I561 HydrophobicContact CD1-CG1 3.78Å; Y551-E596 VanDerWaalsContact OH-CD 3.24Å; Y551-E596 PolarHBondContact OH-OE1 2.96Å; Y551-Y597 HydrophobicContact CD1-CD1 4.03Å; Y551-Y597 HydrophobicContact CD1-CG 4.36Å; Y551-Y597 HydrophobicContact CD2-CG 4.42Å; Y551-Y597 HydrophobicContact CG-CD1 4.12Å; Y551-Y597 HydrophobicContact CG-CG 4.16Å; Y551-K600 WeakPolarHBondContact OH-CD 3.45Å; Y551-K600 PolarHBondContact OH-NZ 3.44Å
552	A	93.8	Very high	90.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.4	168.9	0	0	0	0	0	109.1	I513 I524 F541 Y543	I513-A552 HydrophobicContact CD1-CB 4.08Å; I524-A552 HydrophobicContact CD1-CB 3.32Å; F541-A552 HydrophobicContact CB-CB 4.37Å; F541-A552 HydrophobicContact CD1-CB 4.49Å; F541-A552 PolarHBondContact N-O 3.27Å; F541-A552 PolarHBondContact O-N 2.85Å; Y543-A552 HydrophobicContact CD1-CB 4.32Å; Y543-A552 HydrophobicContact CE1-CB 3.9Å
553	L	92.1	Very high	90.1	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.175	C	C	.	.			trans	-86.4	156.3	167.8	-57.6	-171.5	0	0	0	109.8	V540 Y551 S555 G556 D557 K600 L601	V540-L553 HydrophobicContact CB-CD2 4.32Å; V540-L553 HydrophobicContact CG1-CD2 3.95Å; V540-L553 HydrophobicContact CG2-CD2 3.55Å; Y551-L553 HydrophobicContact CD2-CD2 4.32Å; Y551-L553 HydrophobicContact CD2-CG 4.32Å; Y551-L553 HydrophobicContact CE2-CG 4.34Å; L553-S555 WeakPolarHBondContact CB-OG 3.47Å; L553-S555 PolarHBondContact O-N 3.03Å; L553-G556 PolarHBondContact O-N 3.01Å; L553-D557 HydrophobicContact CB-CB 4.47Å; L553-D557 HydrophobicContact CD1-CB 4.18Å; L553-D557 HydrophobicContact CG-CB 4.46Å; L553-D557 PolarHBondContact N-O 3.22Å; L553-K600 HydrophobicContact CD1-CB 3.85Å; L553-L601 HydrophobicContact CD2-CB 4.38Å
554	T	88.3	Confident	89.7	Confident	46 Å²	46	32.6 Å²	32.6	28%	0.282	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.5	172.6	48.2	0	0	0	0	113.1	I513 L521 G556	I513-T554 HydrophobicContact CG2-CG2 4.42Å; L521-T554 HydrophobicContact CD1-CG2 4.33Å; T554-G556 PolarHBondContact O-N 2.89Å
555	S	85.3	Confident	88.8	Confident	54 Å²	54	39.5 Å²	39.5	38%	0.378	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.8	170.7	64.4	0	0	0	0	114.5	L553 D557	L553-S555 WeakPolarHBondContact CB-OG 3.47Å; L553-S555 PolarHBondContact O-N 3.03Å; S555-D557 VanDerWaalsContact C-N 3.33Å; S555-D557 PolarHBondContact OG-N 2.86Å; S555-D557 PolarHBondContact OG-OD2 3.39Å
556	G	85.1	Confident	88.2	Confident	22 Å²	22	43.6 Å²	43.6	23%	0.227	24%	0.236	C	C	.	.	S	Bend	trans	87.1	-8.3	-172.6	0	0	0	0	0	115	L553 T554 H558	L553-G556 PolarHBondContact O-N 3.01Å; T554-G556 PolarHBondContact O-N 2.89Å; G556-H558 PolarHBondContact O-ND1 2.93Å
557	D	87.9	Confident	88.2	Confident	30 Å²	30	43.2 Å²	43.2	16%	0.16	23%	0.234	C	C	.	.			trans	-65.4	134	171.4	-61.7	-58.2	0	0	0	110	L553 S555 Y628 K632	L553-D557 HydrophobicContact CB-CB 4.47Å; L553-D557 HydrophobicContact CD1-CB 4.18Å; L553-D557 HydrophobicContact CG-CB 4.46Å; L553-D557 PolarHBondContact N-O 3.22Å; S555-D557 VanDerWaalsContact C-N 3.33Å; S555-D557 PolarHBondContact OG-N 2.86Å; S555-D557 PolarHBondContact OG-OD2 3.39Å; D557-Y628 HydrophobicContact CB-CE2 4.49Å; D557-Y628 PolarHBondContact OD2-OH 2.87Å; D557-K632 IonicContact OD1-NZ 3.62Å; D557-K632 PolarHBondContact OD1-NZ 3.16Å; D557-K632 IonicContact OD2-NZ 2.67Å; D557-K632 PolarHBondContact OD2-NZ 3.46Å
558	H	90.4	Very high	88.4	Confident	90 Å²	90	42.9 Å²	42.9	42%	0.417	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.7	-175.9	57.1	-83.6	0	0	0	111.2	I524 Y551 G556	I524-H558 HydrophobicContact CD1-CB 4.19Å; Y551-H558 VanDerWaalsContact O-CA 3.27Å; Y551-H558 WeakPolarHBondContact O-CA 3.4Å; Y551-H558 WeakPolarHBondContact O-CB 3.32Å; G556-H558 PolarHBondContact O-ND1 2.93Å
559	G	89.1	Confident	88.5	Confident	12 Å²	12	42.1 Å²	42.1	12%	0.124	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	173.9	-175.8	0	0	0	0	0	113.7	K550 Y551	K550-G559 WeakPolarHBondContact CA-O 3.4Å; K550-G559 VanDerWaalsContact CB-O 3.22Å; K550-G559 WeakPolarHBondContact CB-O 3.4Å; Y551-G559 VanDerWaalsContact CE1-CA 3.45Å; Y551-G559 PolarHBondContact N-O 2.93Å; Y551-G559 VanDerWaalsContact N-O 3.09Å; Y551-G559 PolarHBondContact O-N 2.77Å
560	I	90.9	Very high	88.5	Confident	87 Å²	87	42.1 Å²	42.1	45%	0.446	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.1	-179.2	-61.9	175.7	0	0	0	108.9	H548 K550	H548-I560 HydrophobicContact CB-CG2 4.17Å; K550-I560 HydrophobicContact CD-CG1 4.37Å; K550-I560 HydrophobicContact CG-CG1 4.16Å
561	I	89.7	Confident	88.3	Confident	36 Å²	36	41.4 Å²	41.4	19%	0.185	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-48.1	175.1	-53.5	178.1	0	0	0	110.5	I542 I549 Y551 I592 Y597	I542-I561 HydrophobicContact CD1-CD1 4.12Å; I542-I561 HydrophobicContact CG2-CD1 4.19Å; I549-I561 HydrophobicContact CG2-CB 4.46Å; I549-I561 HydrophobicContact CG2-CD1 4.17Å; I549-I561 PolarHBondContact O-N 3.4Å; Y551-I561 HydrophobicContact CD1-CD1 4.27Å; Y551-I561 HydrophobicContact CD1-CG1 3.78Å; I561-I592 HydrophobicContact CD1-CD1 4.44Å; I561-I592 HydrophobicContact CG2-CB 3.81Å; I561-I592 HydrophobicContact CG2-CG2 3.88Å; I561-Y597 HydrophobicContact CD1-CD1 4.12Å; I561-Y597 HydrophobicContact CD1-CE1 3.95Å
562	R	88.3	Confident	88.2	Confident	106 Å²	106	44 Å²	44	40%	0.4	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	139.1	-168.9	-174.5	171.8	177.1	170.3	2.3	112	H548 I549 T591	H548-R562 CarbonylContact C-O 3.59Å; H548-R562 VanDerWaalsContact CA-O 3.26Å; H548-R562 WeakPolarHBondContact CA-O 3.47Å; I549-R562 HydrophobicContact CB-CB 4.35Å; I549-R562 HydrophobicContact CD1-CB 4.28Å; I549-R562 HydrophobicContact CG1-CB 4.4Å; I549-R562 PolarHBondContact N-O 2.93Å; I549-R562 PolarHBondContact O-N 2.9Å; R562-T591 PolarHBondContact NH1-O 2.83Å
563	T	89.4	Confident	88	Confident	93 Å²	93	44 Å²	44	57%	0.571	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.1	172.7	-59.4	0	0	0	0	111.2	N547 H548	N547-T563 CarbonylContact O-C 3.57Å; H548-T563 PolarHBondContact CE1-OG1 2.89Å; H548-T563 PolarHBondContact ND1-OG1 2.9Å
564	L	85.1	Confident	87.8	Confident	14 Å²	14	49 Å²	49	7%	0.073	25%	0.254	C	S	.	.			trans	-128.6	122.6	-170.9	-65.6	176.7	0	0	0	112.4	R39 T544 N547 I549 L566 I568 L590	R39-L564 PolarHBondContact NH2-O 2.96Å; R39-L564 VanDerWaalsContact NH2-O 3.09Å; T544-L564 HydrophobicContact CG2-CD1 4.01Å; N547-L564 PolarHBondContact O-N 3.41Å; I549-L564 HydrophobicContact CD1-CD2 4.16Å; I549-L564 HydrophobicContact CG1-CD1 3.82Å; I549-L564 HydrophobicContact CG1-CD2 3.95Å; I549-L564 HydrophobicContact CG1-CG 3.99Å; L564-L566 VanDerWaalsContact C-N 3.34Å; L564-L566 PolarHBondContact O-N 2.96Å; L564-I568 HydrophobicContact CD1-CD1 3.76Å; L564-I568 HydrophobicContact CD1-CG1 3.87Å; L564-I568 HydrophobicContact CD2-CD1 3.94Å; L564-L590 HydrophobicContact CD2-CD1 4.06Å
565	D	76.8	Confident	87.6	Confident	144 Å²	144	47.8 Å²	47.8	77%	0.77	25%	0.251	S	S	*	.	S	Bend	trans	-64.3	-40	173.4	-54.5	-56.6	0	0	0	111.9	R39	R39-D565 PolarHBondContact NH1-O 2.91Å; R39-D565 PolarHBondContact NH2-O 3.07Å
566	L	78.2	Confident	87.7	Confident	86 Å²	86	49 Å²	49	45%	0.45	25%	0.253	S	S	.	.	S	Bend	trans	-123.6	140.8	179.4	-64.6	174.8	0	0	0	110.6	L564 I568	L564-L566 VanDerWaalsContact C-N 3.34Å; L564-L566 PolarHBondContact O-N 2.96Å; L566-I568 PolarHBondContact O-N 2.77Å
567	P	84.5	Confident	88	Confident	6 Å²	6	49.7 Å²	49.7	4%	0.039	26%	0.255	C	S	.	.			trans	-71.5	124.3	176.1	29.8	-33.9	0	0	0	110.3	K531	K531-P567 HydrophobicContact CG-CB 4.39Å
568	I	90.8	Very high	88.2	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.046	25%	0.247	C	C	.	.			trans	-104	164.1	177.9	67.2	-170.1	0	0	0	110.9	T544 I549 L564 L566 C580 L590	T544-I568 HydrophobicContact CG2-CD1 4Å; T544-I568 HydrophobicContact CG2-CG1 3.74Å; T544-I568 PolarHBondContact OG1-O 3.28Å; I549-I568 HydrophobicContact CD1-CD1 4.24Å; I549-I568 HydrophobicContact CG1-CD1 4.34Å; L564-I568 HydrophobicContact CD1-CD1 3.76Å; L564-I568 HydrophobicContact CD1-CG1 3.87Å; L564-I568 HydrophobicContact CD2-CD1 3.94Å; L566-I568 PolarHBondContact O-N 2.77Å; I568-C580 HydrophobicContact CB-CB 4.08Å; I568-C580 HydrophobicContact CD1-CB 4.17Å; I568-C580 HydrophobicContact CG1-CB 4.22Å; I568-L590 HydrophobicContact CD1-CD1 3.41Å; I568-L590 VanDerWaalsContact CD1-CD1 3.41Å
569	Y	92.6	Very high	88.2	Confident	20 Å²	20	45.3 Å²	45.3	8%	0.078	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	102.1	175.6	-61.5	-77.5	0	0	0	109.8	R323 P324 K531 S532 T571 C580 L581 R583	R323-Y569 HydrophobicContact CB-CE1 3.93Å; R323-Y569 HydrophobicContact CG-CD1 4Å; R323-Y569 HydrophobicContact CG-CE1 3.67Å; P324-Y569 HydrophobicContact CG-CD2 3.82Å; P324-Y569 HydrophobicContact CG-CE2 4.47Å; P324-Y569 HydrophobicContact CG-CG 4.11Å; K531-Y569 HydrophobicContact CB-CD1 4.28Å; K531-Y569 HydrophobicContact CB-CE1 4.21Å; S532-Y569 VanDerWaalsContact OG-CA 3.27Å; S532-Y569 WeakPolarHBondContact OG-CA 3.32Å; Y569-T571 PolarHBondContact O-N 3.34Å; Y569-C580 CarbonylContact O-C 3.56Å; Y569-C580 WeakPolarHBondContact O-CA 3.46Å; Y569-C580 VanDerWaalsContact O-CB 3.28Å; Y569-C580 WeakPolarHBondContact O-CB 3.46Å; Y569-L581 PolarHBondContact N-O 3.29Å; Y569-L581 PolarHBondContact O-N 3.22Å; Y569-R583 HydrophobicContact CE2-CG 4.46Å
570	V	92.9	Very high	88.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	129.8	179.4	177.8	0	0	0	0	109.9	Y326 S532 A534 T544 V573 V578	Y326-V570 PolarHBondContact OH-O 3.12Å; S532-V570 PolarHBondContact OG-N 3.38Å; A534-V570 HydrophobicContact CB-CG1 3.81Å; T544-V570 HydrophobicContact CG2-CG2 3.51Å; V570-V573 HydrophobicContact CG1-CG2 4.35Å; V570-V578 HydrophobicContact CB-CG1 4.4Å; V570-V578 HydrophobicContact CG1-CG1 3.82Å; V570-V578 HydrophobicContact CG2-CG1 3.81Å
571	T	90.8	Very high	88.4	Confident	12 Å²	12	40.7 Å²	40.7	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-45.4	179.8	61.3	0	0	0	0	111.6	Y326 L333 Y569 Y579 L581	Y326-T571 HydrophobicContact CD2-CG2 3.8Å; Y326-T571 HydrophobicContact CE1-CG2 4.46Å; Y326-T571 HydrophobicContact CE2-CG2 3.75Å; Y326-T571 HydrophobicContact CG-CG2 4.2Å; L333-T571 HydrophobicContact CD1-CG2 3.91Å; L333-T571 HydrophobicContact CD2-CG2 4.03Å; Y569-T571 PolarHBondContact O-N 3.34Å; T571-Y579 PolarHBondContact N-O 2.84Å; T571-Y579 PolarHBondContact OG1-O 3.48Å; T571-Y579 VanDerWaalsContact OG1-O 3.04Å; T571-L581 HydrophobicContact CG2-CD1 4.13Å; T571-L581 HydrophobicContact CG2-CG 4.07Å
572	R	89.8	Confident	88.3	Confident	54 Å²	54	39.4 Å²	39.4	20%	0.204	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	150.5	176.5	-175.3	166.2	-179.9	-179.9	-8.6	111.2	G330 N331 F346 E537 Y579	G330-R572 PolarHBondContact O-NH1 3.14Å; N331-R572 PolarHBondContact OD1-NH1 3.11Å; F346-R572 HydrophobicContact CE1-CB 4.34Å; F346-R572 HydrophobicContact CE2-CB 3.81Å; F346-R572 HydrophobicContact CE2-CG 4.26Å; F346-R572 HydrophobicContact CZ-CB 3.65Å; E537-R572 IonicContact OE1-NH2 3.62Å; R572-Y579 PolarHBondContact N-O 2.83Å; R572-Y579 PolarHBondContact O-N 2.77Å
573	V	90.3	Very high	87.9	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.012	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.2	166.6	-177.8	0	0	0	0	108.1	A534 D536 I542 V570 V578 I592	A534-V573 HydrophobicContact CB-CG2 4.37Å; D536-V573 HydrophobicContact CB-CB 4.49Å; D536-V573 HydrophobicContact CB-CG1 4.15Å; I542-V573 HydrophobicContact CB-CG2 4.04Å; I542-V573 HydrophobicContact CD1-CG1 3.94Å; I542-V573 HydrophobicContact CD1-CG2 4.13Å; I542-V573 HydrophobicContact CG1-CG2 4.37Å; I542-V573 HydrophobicContact CG2-CG2 4.47Å; V570-V573 HydrophobicContact CG1-CG2 4.35Å; V573-V578 HydrophobicContact CG2-CG2 4.29Å; V573-I592 HydrophobicContact CG1-CD1 4.43Å
574	R	87.1	Confident	87.5	Confident	105 Å²	105	35.4 Å²	35.4	40%	0.396	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	109.7	170.2	-174	-179.6	-177.9	-170.8	-0	108.8	N347 N576 S577 Y579	N347-R574 PolarHBondContact OD1-NH1 2.76Å; R574-N576 PolarHBondContact O-N 2.91Å; R574-S577 PolarHBondContact N-O 2.84Å; R574-S577 PolarHBondContact O-N 2.85Å; R574-Y579 HydrophobicContact CB-CE2 4.24Å
575	G	84.4	Confident	87.4	Confident	21 Å²	21	35.7 Å²	35.7	22%	0.216	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-123.2	-175.1	0	0	0	0	0	111.5	S577	G575-S577 VanDerWaalsContact C-N 3.3Å; G575-S577 PolarHBondContact O-N 3.5Å
576	N	88.6	Confident	87.9	Confident	79 Å²	79	35.1 Å²	35.1	42%	0.422	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.1	-177.5	-60.9	11.5	0	0	0	113.2	R574 T591 I592 P594	R574-N576 PolarHBondContact O-N 2.91Å; N576-T591 HydrophobicContact CB-CG2 4.34Å; N576-T591 CarbonylContact O-C 3.19Å; N576-T591 VanDerWaalsContact O-CA 3.28Å; N576-T591 WeakPolarHBondContact O-CA 3.1Å; N576-I592 WeakPolarHBondContact O-CG1 3.48Å; N576-I592 PolarHBondContact O-N 3.49Å; N576-P594 WeakPolarHBondContact OD1-CG 3.4Å
577	S	91	Very high	88.4	Confident	38 Å²	38	33.3 Å²	33.3	27%	0.266	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.6	-174.2	-61.5	0	0	0	0	112.4	R574 G575	R574-S577 PolarHBondContact N-O 2.84Å; R574-S577 PolarHBondContact O-N 2.85Å; G575-S577 VanDerWaalsContact C-N 3.3Å; G575-S577 PolarHBondContact O-N 3.5Å
578	V	91.3	Very high	88.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.3	172.9	-177.3	0	0	0	0	109.3	V570 V573 L590 I592	V570-V578 HydrophobicContact CB-CG1 4.4Å; V570-V578 HydrophobicContact CG1-CG1 3.82Å; V570-V578 HydrophobicContact CG2-CG1 3.81Å; V573-V578 HydrophobicContact CG2-CG2 4.29Å; V578-L590 PolarHBondContact N-O 3.42Å; V578-L590 PolarHBondContact O-N 2.97Å; V578-I592 HydrophobicContact CG2-CB 4.35Å; V578-I592 HydrophobicContact CG2-CD1 3.65Å; V578-I592 HydrophobicContact CG2-CG1 3.86Å; V578-I592 HydrophobicContact CG2-CG2 3.59Å
579	Y	91.3	Very high	88.6	Confident	28 Å²	28	41.5 Å²	41.5	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.8	173.5	-61.5	-97.2	0	0	0	109	F346 T571 R572 R574 V589	F346-Y579 HydrophobicContact CB-CD1 4.47Å; F346-Y579 HydrophobicContact CB-CE1 4.09Å; F346-Y579 AromaticContact CD1-CD1 3.38Å; F346-Y579 HydrophobicContact CD1-CD1 3.38Å; F346-Y579 HydrophobicContact CD1-CD2 4.24Å; F346-Y579 AromaticContact CD1-CE1 3.88Å; F346-Y579 HydrophobicContact CD1-CE1 3.88Å; F346-Y579 AromaticContact CD1-CG 3.59Å; F346-Y579 HydrophobicContact CD1-CG 3.59Å; F346-Y579 AromaticContact CE1-CD1 3.96Å; F346-Y579 HydrophobicContact CE1-CD1 3.96Å; F346-Y579 AromaticContact CE1-CG 3.8Å; F346-Y579 HydrophobicContact CE1-CG 3.8Å; F346-Y579 HydrophobicContact CG-CD1 4.28Å; F346-Y579 HydrophobicContact CG-CE1 4.39Å; F346-Y579 HydrophobicContact CG-CG 4.43Å; F346-Y579 PolarHBondContact O-OH 3.11Å; T571-Y579 PolarHBondContact N-O 2.84Å; T571-Y579 PolarHBondContact OG1-O 3.48Å; T571-Y579 VanDerWaalsContact OG1-O 3.04Å; R572-Y579 PolarHBondContact N-O 2.83Å; R572-Y579 PolarHBondContact O-N 2.77Å; R574-Y579 HydrophobicContact CB-CE2 4.24Å; Y579-V589 HydrophobicContact CD1-CG2 3.71Å; Y579-V589 HydrophobicContact CE1-CG1 4.4Å; Y579-V589 HydrophobicContact CE1-CG2 3.77Å
580	C	92.1	Very high	88.5	Confident	2 Å²	2	42 Å²	42	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.9	-177.5	61.2	0	0	0	0	112.9	I568 Y569 P587 R588	I568-C580 HydrophobicContact CB-CB 4.08Å; I568-C580 HydrophobicContact CD1-CB 4.17Å; I568-C580 HydrophobicContact CG1-CB 4.22Å; Y569-C580 CarbonylContact O-C 3.56Å; Y569-C580 WeakPolarHBondContact O-CA 3.46Å; Y569-C580 VanDerWaalsContact O-CB 3.28Å; Y569-C580 WeakPolarHBondContact O-CB 3.46Å; C580-P587 WeakPolarHBondContact O-CA 3.48Å; C580-R588 PolarHBondContact N-O 3.04Å; C580-R588 PolarHBondContact O-N 2.81Å; C580-R588 PolarHBondContact SG-O 3.47Å
581	L	91.3	Very high	88.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	139.8	168.9	-64.9	169.8	0	0	0	109.1	P324 Y326 L333 Y335 Y569 T571 R586 P587	P324-L581 HydrophobicContact CB-CD1 3.85Å; P324-L581 HydrophobicContact CG-CB 3.86Å; P324-L581 HydrophobicContact CG-CD1 3.84Å; Y326-L581 HydrophobicContact CD1-CD1 4.23Å; Y326-L581 HydrophobicContact CG-CD1 4.29Å; L333-L581 HydrophobicContact CD2-CD1 4.47Å; L333-L581 HydrophobicContact CD2-CD2 4.24Å; L333-L581 HydrophobicContact CD2-CG 4.33Å; Y335-L581 HydrophobicContact CD1-CD2 4.49Å; Y335-L581 HydrophobicContact CD2-CD1 4.44Å; Y335-L581 HydrophobicContact CD2-CD2 4.26Å; Y335-L581 HydrophobicContact CE2-CD2 4.29Å; Y335-L581 HydrophobicContact CG-CD1 4.19Å; Y335-L581 HydrophobicContact CG-CD2 4.34Å; Y569-L581 PolarHBondContact N-O 3.29Å; Y569-L581 PolarHBondContact O-N 3.22Å; T571-L581 HydrophobicContact CG2-CD1 4.13Å; T571-L581 HydrophobicContact CG2-CG 4.07Å; L581-R586 WeakPolarHBondContact CA-O 3.43Å; L581-P587 HydrophobicContact CD2-CB 4.27Å
582	D	87.5	Confident	88.3	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.043	23%	0.227	C	C	.	.			trans	-84.2	-175.6	168.6	70.3	21.5	0	0	0	112.5	E584 C585 R586 R588	D582-E584 PolarHBondContact O-N 2.73Å; D582-E584 WeakPolarHBondContact OD1-CA 3.39Å; D582-E584 WeakPolarHBondContact OD1-CB 3.18Å; D582-E584 PolarHBondContact OD1-N 3.34Å; D582-C585 PolarHBondContact O-N 2.79Å; D582-C585 PolarHBondContact OD1-N 2.98Å; D582-R586 PolarHBondContact N-O 2.8Å; D582-R586 PolarHBondContact OD1-N 3.04Å; D582-R588 IonicContact OD2-CZ 3.82Å; D582-R588 VanDerWaalsContact OD2-CZ 3.23Å; D582-R588 IonicContact OD2-NE 2.84Å; D582-R588 PolarHBondContact OD2-NE 3.21Å; D582-R588 IonicContact OD2-NH2 3.94Å; D582-R588 PolarHBondContact OD2-NH2 3.16Å
583	R	81.4	Confident	88.2	Confident	53 Å²	53	48.5 Å²	48.5	20%	0.2	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.1	179	-61.9	-161.1	-157.9	171.6	12.9	114.1	E322 Y569 C585	E322-R583 HydrophobicContact CB-CB 4.22Å; E322-R583 HydrophobicContact CB-CG 4.48Å; E322-R583 WeakPolarHBondContact OE1-CD 3.36Å; E322-R583 IonicContact OE1-CZ 3.54Å; E322-R583 IonicContact OE1-NE 2.76Å; E322-R583 IonicContact OE1-NH1 2.81Å; E322-R583 PolarHBondContact OE1-NH1 2.72Å; E322-R583 IonicContact OE2-NH1 2.73Å; E322-R583 PolarHBondContact OE2-NH1 3.16Å; Y569-R583 HydrophobicContact CE2-CG 4.46Å; R583-C585 VanDerWaalsContact C-N 3.3Å
584	E	79.1	Confident	88	Confident	62 Å²	62	48.7 Å²	48.7	29%	0.29	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	14.1	177.6	-54.7	-160.3	141.3	0	0	111.8	R260 D582 R586	R260-E584 IonicContact CZ-OE1 2.85Å; R260-E584 VanDerWaalsContact CZ-OE1 3.25Å; R260-E584 IonicContact NH1-OE1 2.89Å; R260-E584 PolarHBondContact NH1-OE1 3.22Å; R260-E584 IonicContact NH2-OE1 3.97Å; R260-E584 PolarHBondContact NH2-OE1 2.95Å; D582-E584 PolarHBondContact O-N 2.73Å; D582-E584 WeakPolarHBondContact OD1-CA 3.39Å; D582-E584 WeakPolarHBondContact OD1-CB 3.18Å; D582-E584 PolarHBondContact OD1-N 3.34Å; E584-R586 HydrophobicContact CB-CG 4.13Å; E584-R586 PolarHBondContact O-N 3Å; E584-R586 IonicContact OE2-CZ 2.81Å; E584-R586 IonicContact OE2-NE 3.86Å; E584-R586 PolarHBondContact OE2-NE 2.73Å; E584-R586 IonicContact OE2-NH2 3.57Å; E584-R586 PolarHBondContact OE2-NH2 3.23Å
585	C	84.8	Confident	87.9	Confident	21 Å²	21	45.5 Å²	45.5	14%	0.142	24%	0.237	C	C	.	.	S	Bend	trans	56.4	31	-175.2	-51.4	0	0	0	0	112.7	Y335 K337 D582 R583	Y335-C585 HydrophobicContact CD2-CB 4.35Å; Y335-C585 HydrophobicContact CE2-CB 4.39Å; Y335-C585 VanDerWaalsContact CE2-O 3.27Å; Y335-C585 WeakPolarHBondContact CE2-O 2.91Å; K337-C585 HydrophobicContact CB-CB 3.99Å; K337-C585 HydrophobicContact CD-CB 4.19Å; K337-C585 HydrophobicContact CG-CB 3.93Å; D582-C585 PolarHBondContact O-N 2.79Å; D582-C585 PolarHBondContact OD1-N 2.98Å; R583-C585 VanDerWaalsContact C-N 3.3Å
586	R	86.3	Confident	87.9	Confident	131 Å²	131	46.7 Å²	46.7	49%	0.494	24%	0.236	S	C	.	.			trans	-88.5	132.6	171.3	-52.6	178.9	-168.2	-137.2	6	109.6	L581 D582 E584	L581-R586 WeakPolarHBondContact CA-O 3.43Å; D582-R586 PolarHBondContact N-O 2.8Å; D582-R586 PolarHBondContact OD1-N 3.04Å; E584-R586 HydrophobicContact CB-CG 4.13Å; E584-R586 PolarHBondContact O-N 3Å; E584-R586 IonicContact OE2-CZ 2.81Å; E584-R586 IonicContact OE2-NE 3.86Å; E584-R586 PolarHBondContact OE2-NE 2.73Å; E584-R586 IonicContact OE2-NH2 3.57Å; E584-R586 PolarHBondContact OE2-NH2 3.23Å
587	P	88.8	Confident	87.8	Confident	49 Å²	49	43 Å²	43	32%	0.318	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.8	172.5	30.1	-33.9	0	0	0	111	L344 C580 L581	L344-P587 HydrophobicContact CD1-CB 4.35Å; L344-P587 HydrophobicContact CD1-CG 4.29Å; L344-P587 HydrophobicContact CD2-CB 3.75Å; C580-P587 WeakPolarHBondContact O-CA 3.48Å; L581-P587 HydrophobicContact CD2-CB 4.27Å
588	R	88.5	Confident	87.6	Confident	114 Å²	114	46 Å²	46	43%	0.43	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	142.4	174.6	-59.7	-173.2	-172.9	-142	1.8	109.6	C580 D582	C580-R588 PolarHBondContact N-O 3.04Å; C580-R588 PolarHBondContact O-N 2.81Å; C580-R588 PolarHBondContact SG-O 3.47Å; D582-R588 IonicContact OD2-CZ 3.82Å; D582-R588 VanDerWaalsContact OD2-CZ 3.23Å; D582-R588 IonicContact OD2-NE 2.84Å; D582-R588 PolarHBondContact OD2-NE 3.21Å; D582-R588 IonicContact OD2-NH2 3.94Å; D582-R588 PolarHBondContact OD2-NH2 3.16Å
589	V	90.4	Very high	87.4	Confident	72 Å²	72	46.1 Å²	46.1	44%	0.436	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.1	170.7	-172.1	0	0	0	0	107.9	Y579	Y579-V589 HydrophobicContact CD1-CG2 3.71Å; Y579-V589 HydrophobicContact CE1-CG1 4.4Å; Y579-V589 HydrophobicContact CE1-CG2 3.77Å
590	L	90	Very high	87.1	Confident	31 Å²	31	45.5 Å²	45.5	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.7	177.4	-63.5	179.7	0	0	0	110	I549 L564 I568 V578	I549-L590 HydrophobicContact CD1-CD1 4.21Å; L564-L590 HydrophobicContact CD2-CD1 4.06Å; I568-L590 HydrophobicContact CD1-CD1 3.41Å; I568-L590 VanDerWaalsContact CD1-CD1 3.41Å; V578-L590 PolarHBondContact N-O 3.42Å; V578-L590 PolarHBondContact O-N 2.97Å
591	T	91	Very high	86.9	Confident	93 Å²	93	46.7 Å²	46.7	57%	0.571	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	139.4	170.8	-38.5	0	0	0	0	110.7	R562 N576	R562-T591 PolarHBondContact NH1-O 2.83Å; N576-T591 HydrophobicContact CB-CG2 4.34Å; N576-T591 CarbonylContact O-C 3.19Å; N576-T591 VanDerWaalsContact O-CA 3.28Å; N576-T591 WeakPolarHBondContact O-CA 3.1Å
592	I	89.6	Confident	86.6	Confident	8 Å²	8	46.9 Å²	46.9	4%	0.041	23%	0.228	C	C	.	.			trans	-125.4	153.2	173.2	55.8	164.4	0	0	0	110.5	I542 I549 I561 V573 N576 V578	I542-I592 HydrophobicContact CD1-CD1 3.6Å; I549-I592 HydrophobicContact CD1-CG2 4.09Å; I561-I592 HydrophobicContact CD1-CD1 4.44Å; I561-I592 HydrophobicContact CG2-CB 3.81Å; I561-I592 HydrophobicContact CG2-CG2 3.88Å; V573-I592 HydrophobicContact CG1-CD1 4.43Å; N576-I592 WeakPolarHBondContact O-CG1 3.48Å; N576-I592 PolarHBondContact O-N 3.49Å; V578-I592 HydrophobicContact CG2-CB 4.35Å; V578-I592 HydrophobicContact CG2-CD1 3.65Å; V578-I592 HydrophobicContact CG2-CG1 3.86Å; V578-I592 HydrophobicContact CG2-CG2 3.59Å
593	D	87.2	Confident	86.4	Confident	102 Å²	102	46.8 Å²	46.8	55%	0.545	23%	0.228	S	C	.	.			trans	-92.1	119	166.5	-179.4	0.9	0	0	0	109.1	T595	D593-T595 VanDerWaalsContact OD1-CB 3.23Å; D593-T595 WeakPolarHBondContact OD1-CB 3.35Å; D593-T595 PolarHBondContact OD1-N 3.31Å; D593-T595 PolarHBondContact OD1-OG1 3.46Å
594	P	86.3	Confident	86.6	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.039	23%	0.234	C	C	.	.			trans	-87.8	-5.8	179.3	38.4	-39.3	0	0	0	114.2	N576 E596 Y597 R598	N576-P594 WeakPolarHBondContact OD1-CG 3.4Å; P594-E596 PolarHBondContact O-N 3.5Å; P594-Y597 VanDerWaalsContact CA-CE1 3.43Å; P594-Y597 HydrophobicContact CB-CE1 3.83Å; P594-Y597 HydrophobicContact CB-CE2 4.16Å; P594-Y597 WeakPolarHBondContact CB-OH 3.37Å; P594-Y597 PolarHBondContact O-N 3.4Å; P594-R598 HydrophobicContact CB-CG 4.28Å; P594-R598 WeakPolarHBondContact O-CB 3.42Å; P594-R598 WeakPolarHBondContact O-CG 3.31Å; P594-R598 PolarHBondContact O-N 3.46Å
595	T	84.3	Confident	86.9	Confident	37 Å²	37	48.4 Å²	48.4	23%	0.227	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-43	-162.2	-47.4	0	0	0	0	112.4	D593 Y597 R598 F599 A618 L620	D593-T595 VanDerWaalsContact OD1-CB 3.23Å; D593-T595 WeakPolarHBondContact OD1-CB 3.35Å; D593-T595 PolarHBondContact OD1-N 3.31Å; D593-T595 PolarHBondContact OD1-OG1 3.46Å; T595-Y597 PolarHBondContact O-N 2.75Å; T595-R598 PolarHBondContact O-N 3.17Å; T595-F599 VanDerWaalsContact O-CB 3.31Å; T595-F599 WeakPolarHBondContact O-CB 3.28Å; T595-F599 PolarHBondContact O-N 3.05Å; T595-A618 HydrophobicContact CG2-CB 3.82Å; T595-L620 HydrophobicContact CG2-CD2 3.69Å; T595-L620 HydrophobicContact CG2-CG 4.22Å
596	E	84.8	Confident	86.8	Confident	46 Å²	46	56.3 Å²	56.3	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-47.5	-179	-166	-150.1	149.1	0	0	112.7	Y551 P594 K600	Y551-E596 VanDerWaalsContact OH-CD 3.24Å; Y551-E596 PolarHBondContact OH-OE1 2.96Å; P594-E596 PolarHBondContact O-N 3.5Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 2.58Å; E596-K600 VanDerWaalsContact O-N 3.14Å; E596-K600 IonicContact OE1-NZ 3.75Å; E596-K600 PolarHBondContact OE1-NZ 3.48Å
597	Y	87.1	Confident	86.7	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-78	-29.2	-177.2	70	-110.7	0	0	0	112.4	V540 I542 Y551 I561 P594 T595 K600 L601	V540-Y597 HydrophobicContact CB-CD2 4.2Å; V540-Y597 HydrophobicContact CB-CE2 4.2Å; V540-Y597 HydrophobicContact CG1-CD2 3.92Å; V540-Y597 HydrophobicContact CG1-CE2 4.17Å; V540-Y597 HydrophobicContact CG1-CG 4.28Å; V540-Y597 HydrophobicContact CG2-CD2 3.86Å; V540-Y597 HydrophobicContact CG2-CE2 4.13Å; I542-Y597 HydrophobicContact CD1-CE1 4.03Å; Y551-Y597 HydrophobicContact CD1-CD1 4.03Å; Y551-Y597 HydrophobicContact CD1-CG 4.36Å; Y551-Y597 HydrophobicContact CD2-CG 4.42Å; Y551-Y597 HydrophobicContact CG-CD1 4.12Å; Y551-Y597 HydrophobicContact CG-CG 4.16Å; I561-Y597 HydrophobicContact CD1-CD1 4.12Å; I561-Y597 HydrophobicContact CD1-CE1 3.95Å; P594-Y597 VanDerWaalsContact CA-CE1 3.43Å; P594-Y597 HydrophobicContact CB-CE1 3.83Å; P594-Y597 HydrophobicContact CB-CE2 4.16Å; P594-Y597 WeakPolarHBondContact CB-OH 3.37Å; P594-Y597 PolarHBondContact O-N 3.4Å; T595-Y597 PolarHBondContact O-N 2.75Å; Y597-K600 PolarHBondContact O-N 2.9Å; Y597-L601 WeakPolarHBondContact O-CB 3.25Å; Y597-L601 PolarHBondContact O-N 2.93Å
598	R	87.3	Confident	86.2	Confident	102 Å²	102	54.5 Å²	54.5	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-65.9	-43.2	171.2	-74.7	-178.2	177.4	-175.1	0.9	111.6	P594 T595 K600 L601 A602 M614	P594-R598 HydrophobicContact CB-CG 4.28Å; P594-R598 WeakPolarHBondContact O-CB 3.42Å; P594-R598 WeakPolarHBondContact O-CG 3.31Å; P594-R598 PolarHBondContact O-N 3.46Å; T595-R598 PolarHBondContact O-N 3.17Å; R598-K600 PolarHBondContact O-N 3.07Å; R598-L601 PolarHBondContact O-N 2.91Å; R598-A602 WeakPolarHBondContact O-CB 3.25Å; R598-A602 PolarHBondContact O-N 2.91Å; R598-M614 HydrophobicContact CB-SD 4.4Å
599	F	85.8	Confident	85.7	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-49.8	173.2	177.6	-90.9	0	0	0	111.6	T595 L601 A602 L603 V611 M614 V615 L620 I625 L629 F641	T595-F599 VanDerWaalsContact O-CB 3.31Å; T595-F599 WeakPolarHBondContact O-CB 3.28Å; T595-F599 PolarHBondContact O-N 3.05Å; F599-L601 PolarHBondContact O-N 3.1Å; F599-A602 PolarHBondContact O-N 3.04Å; F599-L603 PolarHBondContact O-N 3.5Å; F599-V611 HydrophobicContact CD2-CG1 4.43Å; F599-V611 HydrophobicContact CE2-CG1 3.75Å; F599-V611 HydrophobicContact CZ-CG1 4.22Å; F599-M614 HydrophobicContact CB-SD 4.38Å; F599-M614 HydrophobicContact CD2-CB 4.39Å; F599-V615 HydrophobicContact CE2-CG2 4.05Å; F599-L620 HydrophobicContact CD2-CD1 3.79Å; F599-L620 HydrophobicContact CE2-CD1 4.13Å; F599-L620 HydrophobicContact CG-CD1 4.43Å; F599-I625 HydrophobicContact CD1-CG2 4.28Å; F599-I625 HydrophobicContact CE1-CG2 3.73Å; F599-I625 HydrophobicContact CZ-CG2 4.16Å; F599-L629 HydrophobicContact CE1-CD1 4.47Å; F599-L629 HydrophobicContact CE1-CD2 4.06Å; F599-L629 HydrophobicContact CE1-CG 4.36Å; F599-L629 HydrophobicContact CZ-CD1 4.13Å; F599-L629 HydrophobicContact CZ-CD2 4.03Å; F599-L629 HydrophobicContact CZ-CG 4.41Å; F599-F641 HydrophobicContact CE2-CZ 4.48Å
600	K	86.6	Confident	85.2	Confident	15 Å²	15	55.3 Å²	55.3	7%	0.065	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-38.8	177.8	-69.1	179.6	177.9	170.1	0	112.9	Y551 L553 E596 Y597 R598 L603 V604 Y628	Y551-K600 WeakPolarHBondContact OH-CD 3.45Å; Y551-K600 PolarHBondContact OH-NZ 3.44Å; L553-K600 HydrophobicContact CD1-CB 3.85Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 2.58Å; E596-K600 VanDerWaalsContact O-N 3.14Å; E596-K600 IonicContact OE1-NZ 3.75Å; E596-K600 PolarHBondContact OE1-NZ 3.48Å; Y597-K600 PolarHBondContact O-N 2.9Å; R598-K600 PolarHBondContact O-N 3.07Å; K600-L603 PolarHBondContact O-N 3.14Å; K600-V604 VanDerWaalsContact O-CG2 3.32Å; K600-V604 WeakPolarHBondContact O-CG2 3.41Å; K600-V604 PolarHBondContact O-N 3.28Å; K600-Y628 HydrophobicContact CB-CE1 4.35Å; K600-Y628 HydrophobicContact CD-CD1 4.44Å; K600-Y628 HydrophobicContact CD-CD2 4.31Å; K600-Y628 HydrophobicContact CD-CE1 4.15Å; K600-Y628 HydrophobicContact CD-CE2 4Å; K600-Y628 HydrophobicContact CG-CD1 4.14Å; K600-Y628 HydrophobicContact CG-CE1 3.65Å; K600-Y628 HydrophobicContact CG-CE2 4.35Å
601	L	86.4	Confident	84.6	Confident	28 Å²	28	53.8 Å²	53.8	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-64.6	-43.1	175.8	-178.8	65.1	0	0	0	111.8	V540 L553 Y597 R598 F599 V604 N605	V540-L601 HydrophobicContact CG2-CD2 3.92Å; L553-L601 HydrophobicContact CD2-CB 4.38Å; Y597-L601 WeakPolarHBondContact O-CB 3.25Å; Y597-L601 PolarHBondContact O-N 2.93Å; R598-L601 PolarHBondContact O-N 2.91Å; F599-L601 PolarHBondContact O-N 3.1Å; L601-V604 PolarHBondContact O-N 3.44Å; L601-N605 VanDerWaalsContact O-CB 3.31Å; L601-N605 WeakPolarHBondContact O-CB 3.22Å; L601-N605 VanDerWaalsContact O-CG 3.26Å; L601-N605 PolarHBondContact O-N 2.91Å; L601-N605 PolarHBondContact O-ND2 2.85Å
602	A	85.6	Confident	83.7	Confident	3 Å²	3	50.4 Å²	50.4	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-41.6	176.2	0	0	0	0	0	111.7	R598 F599 N605 R606 K607 E610 V611 M614	R598-A602 WeakPolarHBondContact O-CB 3.25Å; R598-A602 PolarHBondContact O-N 2.91Å; F599-A602 PolarHBondContact O-N 3.04Å; A602-N605 CarbonylContact O-C 3.56Å; A602-N605 PolarHBondContact O-N 3.37Å; A602-R606 PolarHBondContact O-N 3.34Å; A602-K607 HydrophobicContact CB-CB 4.32Å; A602-K607 PolarHBondContact O-N 2.85Å; A602-E610 HydrophobicContact CB-CB 4.37Å; A602-V611 HydrophobicContact CB-CG2 3.74Å; A602-M614 HydrophobicContact CB-CE 3.68Å
603	L	83.9	Confident	83.2	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-44.5	174.3	-168.4	74.3	0	0	0	112.3	F599 K600 N605 R606 V611 Y628 L629 Y634	F599-L603 PolarHBondContact O-N 3.5Å; K600-L603 PolarHBondContact O-N 3.14Å; L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 2.83Å; L603-R606 PolarHBondContact O-N 2.79Å; L603-R606 VanDerWaalsContact O-N 3.15Å; L603-V611 HydrophobicContact CB-CG2 4.49Å; L603-Y628 HydrophobicContact CD2-CE1 3.8Å; L603-L629 HydrophobicContact CD2-CD2 4.01Å; L603-Y634 HydrophobicContact CD1-CD2 4.09Å; L603-Y634 HydrophobicContact CD1-CE2 4.03Å; L603-Y634 HydrophobicContact CD1-CG 4.48Å; L603-Y634 HydrophobicContact CD2-CD2 4.04Å; L603-Y634 HydrophobicContact CD2-CE2 4.15Å; L603-Y634 HydrophobicContact CG-CD2 4.43Å; L603-Y634 HydrophobicContact CG-CE2 4.19Å
604	V	84.6	Confident	82.6	Confident	55 Å²	55	52.3 Å²	52.3	33%	0.333	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-39.8	176	167.8	0	0	0	0	111.4	K600 L601 R606	K600-V604 VanDerWaalsContact O-CG2 3.32Å; K600-V604 WeakPolarHBondContact O-CG2 3.41Å; K600-V604 PolarHBondContact O-N 3.28Å; L601-V604 PolarHBondContact O-N 3.44Å; V604-R606 PolarHBondContact O-N 2.81Å
605	N	84.9	Confident	81.9	Confident	93 Å²	93	53.2 Å²	53.2	50%	0.497	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	4.5	177.5	-67.2	-16.1	0	0	0	113.6	L601 A602 L603 K607	L601-N605 VanDerWaalsContact O-CB 3.31Å; L601-N605 WeakPolarHBondContact O-CB 3.22Å; L601-N605 VanDerWaalsContact O-CG 3.26Å; L601-N605 PolarHBondContact O-N 2.91Å; L601-N605 PolarHBondContact O-ND2 2.85Å; A602-N605 CarbonylContact O-C 3.56Å; A602-N605 PolarHBondContact O-N 3.37Å; L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 2.83Å; N605-K607 HydrophobicContact CB-CG 4.27Å; N605-K607 PolarHBondContact O-N 3.42Å
606	R	83.6	Confident	81.1	Confident	188 Å²	188	58.9 Å²	58.9	71%	0.709	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	30.8	-179	-54	-178	-179.1	-171.5	-2.1	114.6	A602 L603 V604 Y608	A602-R606 PolarHBondContact O-N 3.34Å; L603-R606 PolarHBondContact O-N 2.79Å; L603-R606 VanDerWaalsContact O-N 3.15Å; V604-R606 PolarHBondContact O-N 2.81Å; R606-Y608 HydrophobicContact CB-CE1 4.39Å; R606-Y608 HydrophobicContact CB-CE2 4.25Å; R606-Y608 PolarHBondContact O-N 3.27Å
607	K	84.1	Confident	80.5	Confident	96 Å²	96	62.2 Å²	62.2	42%	0.417	29%	0.286	S	S	.	.			trans	-88.1	74.7	177.1	-69.4	-166.4	172.1	-169.7	0	111.2	A602 N605 D609 E610 V611	A602-K607 HydrophobicContact CB-CB 4.32Å; A602-K607 PolarHBondContact O-N 2.85Å; N605-K607 HydrophobicContact CB-CG 4.27Å; N605-K607 PolarHBondContact O-N 3.42Å; K607-D609 VanDerWaalsContact C-N 3.33Å; K607-D609 PolarHBondContact O-N 3.08Å; K607-E610 HydrophobicContact CB-CB 4.27Å; K607-E610 HydrophobicContact CB-CG 4.43Å; K607-E610 HydrophobicContact CD-CG 4.3Å; K607-E610 VanDerWaalsContact CD-OE1 3.3Å; K607-E610 WeakPolarHBondContact CD-OE1 3.27Å; K607-E610 WeakPolarHBondContact CD-OE2 3.47Å; K607-E610 IonicContact NZ-OE1 3.42Å; K607-E610 PolarHBondContact NZ-OE1 2.91Å; K607-E610 IonicContact NZ-OE2 2.86Å; K607-E610 PolarHBondContact NZ-OE2 3.3Å; K607-E610 PolarHBondContact O-N 2.82Å; K607-V611 WeakPolarHBondContact O-CG2 3.16Å; K607-V611 PolarHBondContact O-N 2.91Å
608	Y	78.2	Confident	79.3	Confident	46 Å²	46	63.6 Å²	63.6	18%	0.18	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-29.9	-170.4	-57.5	-47.4	0	0	0	114.1	R606 V611 L612 F817 F818	R606-Y608 HydrophobicContact CB-CE1 4.39Å; R606-Y608 HydrophobicContact CB-CE2 4.25Å; R606-Y608 PolarHBondContact O-N 3.27Å; Y608-V611 WeakPolarHBondContact O-CB 3.19Å; Y608-V611 PolarHBondContact O-N 3.4Å; Y608-L612 PolarHBondContact O-N 2.83Å; Y608-F817 AromaticContact CD2-CD1 3.86Å; Y608-F817 HydrophobicContact CD2-CD1 3.86Å; Y608-F817 HydrophobicContact CD2-CE1 4.05Å; Y608-F817 HydrophobicContact CD2-CG 4.39Å; Y608-F817 HydrophobicContact CG-CD1 4.22Å; Y608-F817 HydrophobicContact CG-CE1 4.27Å; Y608-F818 HydrophobicContact CD1-CE1 4.29Å; Y608-F818 AromaticContact CD1-CE2 3.99Å; Y608-F818 HydrophobicContact CD1-CE2 3.99Å; Y608-F818 AromaticContact CD1-CZ 3.42Å; Y608-F818 HydrophobicContact CD1-CZ 3.42Å; Y608-F818 VanDerWaalsContact CD1-CZ 3.42Å; Y608-F818 HydrophobicContact CE1-CE2 4.36Å; Y608-F818 HydrophobicContact CE1-CZ 4.17Å; Y608-F818 HydrophobicContact CG-CE1 4.27Å; Y608-F818 HydrophobicContact CG-CE2 4.26Å; Y608-F818 AromaticContact CG-CZ 3.72Å; Y608-F818 HydrophobicContact CG-CZ 3.72Å
609	D	77.9	Confident	78.1	Confident	111 Å²	111	68.4 Å²	68.4	59%	0.594	32%	0.321	S	S	*	.	H	α-helix	trans	-68.1	-42.3	176.5	-49.5	-59.4	0	0	0	112.5	K607 V611 L612 H613	K607-D609 VanDerWaalsContact C-N 3.33Å; K607-D609 PolarHBondContact O-N 3.08Å; D609-V611 VanDerWaalsContact C-N 3.28Å; D609-V611 PolarHBondContact O-N 3.04Å; D609-L612 PolarHBondContact O-N 2.85Å; D609-H613 WeakPolarHBondContact O-CB 3.33Å; D609-H613 PolarHBondContact O-N 3.36Å
610	E	79.4	Confident	76.9	Confident	91 Å²	91	69.5 Å²	69.5	43%	0.425	33%	0.327	S	S	.	.	H	α-helix	trans	-62.5	-38.4	173.4	-71.7	-177.8	-169.3	0	0	110.8	A602 K607 M614	A602-E610 HydrophobicContact CB-CB 4.37Å; K607-E610 HydrophobicContact CB-CB 4.27Å; K607-E610 HydrophobicContact CB-CG 4.43Å; K607-E610 HydrophobicContact CD-CG 4.3Å; K607-E610 VanDerWaalsContact CD-OE1 3.3Å; K607-E610 WeakPolarHBondContact CD-OE1 3.27Å; K607-E610 WeakPolarHBondContact CD-OE2 3.47Å; K607-E610 IonicContact NZ-OE1 3.42Å; K607-E610 PolarHBondContact NZ-OE1 2.91Å; K607-E610 IonicContact NZ-OE2 2.86Å; K607-E610 PolarHBondContact NZ-OE2 3.3Å; K607-E610 PolarHBondContact O-N 2.82Å; E610-M614 HydrophobicContact CB-CE 4.14Å; E610-M614 WeakPolarHBondContact O-CB 3.27Å; E610-M614 VanDerWaalsContact O-CE 3.24Å; E610-M614 WeakPolarHBondContact O-CE 3.5Å; E610-M614 WeakPolarHBondContact O-CG 3.4Å; E610-M614 PolarHBondContact O-N 2.77Å
611	V	79.1	Confident	75.3	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-50.9	174.5	171.9	0	0	0	0	110.7	F599 A602 L603 K607 Y608 D609 H613 M614 V615	F599-V611 HydrophobicContact CD2-CG1 4.43Å; F599-V611 HydrophobicContact CE2-CG1 3.75Å; F599-V611 HydrophobicContact CZ-CG1 4.22Å; A602-V611 HydrophobicContact CB-CG2 3.74Å; L603-V611 HydrophobicContact CB-CG2 4.49Å; K607-V611 WeakPolarHBondContact O-CG2 3.16Å; K607-V611 PolarHBondContact O-N 2.91Å; Y608-V611 WeakPolarHBondContact O-CB 3.19Å; Y608-V611 PolarHBondContact O-N 3.4Å; D609-V611 VanDerWaalsContact C-N 3.28Å; D609-V611 PolarHBondContact O-N 3.04Å; V611-H613 PolarHBondContact O-N 3.28Å; V611-M614 PolarHBondContact O-N 2.98Å; V611-M614 VanDerWaalsContact O-N 3.15Å; V611-V615 HydrophobicContact CG1-CG2 4.21Å; V611-V615 WeakPolarHBondContact O-CG2 3.32Å; V611-V615 PolarHBondContact O-N 2.85Å
612	L	72.1	Confident	74.2	Confident	22 Å²	22	75 Å²	75	12%	0.115	37%	0.368	C	S	.	.	H	α-helix	trans	-59.9	-41.8	178.1	-79.4	171.5	0	0	0	112.9	Y608 D609 V615 R616 F818	Y608-L612 PolarHBondContact O-N 2.83Å; D609-L612 PolarHBondContact O-N 2.85Å; L612-V615 PolarHBondContact O-N 2.98Å; L612-R616 WeakPolarHBondContact O-CG 3.48Å; L612-R616 PolarHBondContact O-N 3Å; L612-R616 VanDerWaalsContact O-N 3.1Å; L612-F818 HydrophobicContact CD1-CD1 3.95Å; L612-F818 HydrophobicContact CD1-CE1 4.33Å; L612-F818 HydrophobicContact CD2-CD1 3.94Å; L612-F818 HydrophobicContact CD2-CE1 4.32Å; L612-F818 HydrophobicContact CG-CD1 3.88Å; L612-F818 HydrophobicContact CG-CE1 3.97Å
613	H	78.3	Confident	73.3	Confident	120 Å²	120	80.5 Å²	80.5	56%	0.556	39%	0.393	S	S	*	.	H	α-helix	trans	-62.9	-42.1	175	179.6	-89.8	0	0	0	111.6	D609 V611 R616 N617	D609-H613 WeakPolarHBondContact O-CB 3.33Å; D609-H613 PolarHBondContact O-N 3.36Å; V611-H613 PolarHBondContact O-N 3.28Å; H613-R616 PolarHBondContact O-N 3.19Å; H613-N617 PolarHBondContact CD2-ND2 2.95Å; H613-N617 VanDerWaalsContact CD2-ND2 3.34Å; H613-N617 PolarHBondContact NE2-ND2 3Å; H613-N617 WeakPolarHBondContact O-CB 3.47Å; H613-N617 PolarHBondContact O-N 3.48Å
614	M	75.3	Confident	72.7	Confident	30 Å²	30	83.8 Å²	83.8	15%	0.148	42%	0.416	C	S	.	.	H	α-helix	trans	-65.7	-39.4	174.4	-76.1	-175.2	-80.8	0	0	112.7	R598 F599 A602 E610 V611 R616 A618 L620	R598-M614 HydrophobicContact CB-SD 4.4Å; F599-M614 HydrophobicContact CB-SD 4.38Å; F599-M614 HydrophobicContact CD2-CB 4.39Å; A602-M614 HydrophobicContact CB-CE 3.68Å; E610-M614 HydrophobicContact CB-CE 4.14Å; E610-M614 WeakPolarHBondContact O-CB 3.27Å; E610-M614 VanDerWaalsContact O-CE 3.24Å; E610-M614 WeakPolarHBondContact O-CE 3.5Å; E610-M614 WeakPolarHBondContact O-CG 3.4Å; E610-M614 PolarHBondContact O-N 2.77Å; V611-M614 PolarHBondContact O-N 2.98Å; V611-M614 VanDerWaalsContact O-N 3.15Å; M614-R616 VanDerWaalsContact C-N 3.34Å; M614-R616 PolarHBondContact O-N 2.87Å; M614-A618 WeakPolarHBondContact O-CB 3.46Å; M614-A618 PolarHBondContact O-N 2.85Å; M614-L620 HydrophobicContact CB-CD1 4.46Å
615	V	70.3	Confident	72.3	Confident	24 Å²	24	81.6 Å²	81.6	15%	0.145	40%	0.403	C	S	.	.	H	α-helix	trans	-58.3	-45.3	176.3	171.3	0	0	0	0	111.3	F599 V611 L612 V637 F641	F599-V615 HydrophobicContact CE2-CG2 4.05Å; V611-V615 HydrophobicContact CG1-CG2 4.21Å; V611-V615 WeakPolarHBondContact O-CG2 3.32Å; V611-V615 PolarHBondContact O-N 2.85Å; L612-V615 PolarHBondContact O-N 2.98Å; V615-V637 HydrophobicContact CG2-CG1 4.12Å; V615-F641 HydrophobicContact CB-CE1 4.45Å; V615-F641 HydrophobicContact CB-CE2 4.45Å; V615-F641 HydrophobicContact CB-CZ 3.84Å; V615-F641 HydrophobicContact CG1-CE1 4.05Å; V615-F641 HydrophobicContact CG1-CE2 4.05Å; V615-F641 HydrophobicContact CG1-CZ 3.67Å; V615-F641 HydrophobicContact CG2-CE2 3.85Å; V615-F641 HydrophobicContact CG2-CZ 3.54Å
616	R	68.8	Low	71.9	Confident	157 Å²	157	77.8 Å²	77.8	59%	0.592	38%	0.382	S	S	*	.	H	α-helix	trans	-77.1	-40.4	-175.7	-67.8	176.2	-178.3	177.5	1.6	113.2	L612 H613 M614	L612-R616 WeakPolarHBondContact O-CG 3.48Å; L612-R616 PolarHBondContact O-N 3Å; L612-R616 VanDerWaalsContact O-N 3.1Å; H613-R616 PolarHBondContact O-N 3.19Å; M614-R616 VanDerWaalsContact C-N 3.34Å; M614-R616 PolarHBondContact O-N 2.87Å
617	N	70.6	Confident	71.6	Confident	116 Å²	116	71.4 Å²	71.4	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-103.8	-22.1	-167.7	-66.4	-16.3	0	0	0	114.4	H613	H613-N617 PolarHBondContact CD2-ND2 2.95Å; H613-N617 VanDerWaalsContact CD2-ND2 3.34Å; H613-N617 PolarHBondContact NE2-ND2 3Å; H613-N617 WeakPolarHBondContact O-CB 3.47Å; H613-N617 PolarHBondContact O-N 3.48Å
618	A	63	Low	71.4	Confident	30 Å²	30	68 Å²	68	25%	0.248	35%	0.354	C	S	.	.	S	Bend	trans	-96.1	136.3	179.5	0	0	0	0	0	111.6	T595 M614 L620	T595-A618 HydrophobicContact CG2-CB 3.82Å; M614-A618 WeakPolarHBondContact O-CB 3.46Å; M614-A618 PolarHBondContact O-N 2.85Å; A618-L620 HydrophobicContact CB-CD1 4.38Å; A618-L620 HydrophobicContact CB-CG 4.11Å; A618-L620 PolarHBondContact O-N 2.78Å
619	K	61	Low	71.6	Confident	204 Å²	204	65.8 Å²	65.8	89%	0.887	35%	0.345	S	S	*	.			trans	-73.4	68.7	169.7	-68.2	-177.3	178.6	179.8	0	110.4	V621	K619-V621 VanDerWaalsContact C-N 3.34Å; K619-V621 PolarHBondContact O-N 3.03Å
620	L	61.6	Low	71.6	Confident	23 Å²	23	63.6 Å²	63.6	12%	0.12	33%	0.332	C	S	.	.			trans	-72.9	84.7	174.2	-76.5	163	0	0	0	109.7	T595 F599 M614 A618 I625 F641	T595-L620 HydrophobicContact CG2-CD2 3.69Å; T595-L620 HydrophobicContact CG2-CG 4.22Å; F599-L620 HydrophobicContact CD2-CD1 3.79Å; F599-L620 HydrophobicContact CE2-CD1 4.13Å; F599-L620 HydrophobicContact CG-CD1 4.43Å; M614-L620 HydrophobicContact CB-CD1 4.46Å; A618-L620 HydrophobicContact CB-CD1 4.38Å; A618-L620 HydrophobicContact CB-CG 4.11Å; A618-L620 PolarHBondContact O-N 2.78Å; L620-I625 HydrophobicContact CB-CD1 4.02Å; L620-I625 HydrophobicContact CD2-CD1 3.81Å; L620-F641 HydrophobicContact CB-CE1 3.94Å; L620-F641 HydrophobicContact CB-CZ 4.45Å; L620-F641 HydrophobicContact CD1-CE1 4.16Å; L620-F641 HydrophobicContact CD1-CZ 3.98Å
621	V	53.7	Low	71.7	Confident	135 Å²	135	68.3 Å²	68.3	82%	0.818	35%	0.351	S	S	*	.			trans	-88.6	111	179.7	-173.3	0	0	0	0	110.1	K619	K619-V621 VanDerWaalsContact C-N 3.34Å; K619-V621 PolarHBondContact O-N 3.03Å
622	G	61.9	Low	71.7	Confident	25 Å²	25	72.3 Å²	72.3	26%	0.258	37%	0.368	S	S	.	.			trans	165.4	129.4	164.5	0	0	0	0	0	117.4	S624 I625	G622-S624 PolarHBondContact O-N 2.83Å; G622-S624 VanDerWaalsContact O-N 3.09Å; G622-I625 PolarHBondContact O-N 2.81Å
623	Q	66.8	Low	71.9	Confident	118 Å²	118	73.8 Å²	73.8	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-50.7	-26.6	161.6	-71.9	-70.7	-7.4	0	0	112.9	I625 I626 A627	Q623-I625 VanDerWaalsContact C-N 3.32Å; Q623-I625 PolarHBondContact O-N 3.35Å; Q623-I626 PolarHBondContact O-N 2.79Å; Q623-A627 WeakPolarHBondContact O-CB 3.37Å; Q623-A627 PolarHBondContact O-N 3.5Å
624	S	72.8	Confident	71.9	Confident	75 Å²	75	71.1 Å²	71.1	52%	0.524	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-28.8	175.3	53.1	0	0	0	0	114.2	G622 Y628	G622-S624 PolarHBondContact O-N 2.83Å; G622-S624 VanDerWaalsContact O-N 3.09Å; S624-Y628 VanDerWaalsContact O-CB 3.25Å; S624-Y628 WeakPolarHBondContact O-CB 3.26Å; S624-Y628 PolarHBondContact O-N 3.5Å
625	I	75.9	Confident	71.8	Confident	9 Å²	9	70.6 Å²	70.6	5%	0.046	37%	0.373	C	S	.	.	H	α-helix	trans	-81.3	-42.7	177.5	-62.6	162.5	0	0	0	109.5	F599 L620 G622 Q623 Y628 L629	F599-I625 HydrophobicContact CD1-CG2 4.28Å; F599-I625 HydrophobicContact CE1-CG2 3.73Å; F599-I625 HydrophobicContact CZ-CG2 4.16Å; L620-I625 HydrophobicContact CB-CD1 4.02Å; L620-I625 HydrophobicContact CD2-CD1 3.81Å; G622-I625 PolarHBondContact O-N 2.81Å; Q623-I625 VanDerWaalsContact C-N 3.32Å; Q623-I625 PolarHBondContact O-N 3.35Å; I625-Y628 WeakPolarHBondContact O-CB 3.4Å; I625-Y628 PolarHBondContact O-N 3.34Å; I625-Y628 VanDerWaalsContact O-N 3.17Å; I625-L629 HydrophobicContact CG2-CD1 4.12Å; I625-L629 HydrophobicContact CG2-CG 4.45Å; I625-L629 WeakPolarHBondContact O-CG 3.44Å; I625-L629 PolarHBondContact O-N 2.87Å
626	I	75.3	Confident	71.9	Confident	14 Å²	14	73.9 Å²	73.9	7%	0.072	39%	0.387	C	S	.	.	H	α-helix	trans	-56.4	-53.9	173.3	-68.7	151.7	0	0	0	110.2	Q623 Y628 L629 Q630 A638 F641 V642 L651	Q623-I626 PolarHBondContact O-N 2.79Å; I626-Y628 PolarHBondContact O-N 3.09Å; I626-L629 PolarHBondContact O-N 3.02Å; I626-L629 VanDerWaalsContact O-N 3.1Å; I626-Q630 WeakPolarHBondContact O-CG 3.49Å; I626-Q630 PolarHBondContact O-N 3.42Å; I626-A638 HydrophobicContact CG2-CB 4.28Å; I626-F641 HydrophobicContact CD1-CB 4.38Å; I626-F641 HydrophobicContact CG1-CB 4.24Å; I626-V642 HydrophobicContact CD1-CG2 3.55Å; I626-V642 HydrophobicContact CG1-CG2 3.97Å; I626-V642 HydrophobicContact CG2-CG2 4.28Å; I626-L651 HydrophobicContact CG2-CD1 4.22Å
627	A	77.6	Confident	72.2	Confident	53 Å²	53	66.7 Å²	66.7	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-30.7	177.3	0	0	0	0	0	113.3	Q623 K631	Q623-A627 WeakPolarHBondContact O-CB 3.37Å; Q623-A627 PolarHBondContact O-N 3.5Å; A627-K631 VanDerWaalsContact O-CB 3.25Å; A627-K631 WeakPolarHBondContact O-CB 3.24Å; A627-K631 PolarHBondContact O-N 3.02Å; A627-K631 VanDerWaalsContact O-N 3.08Å
628	Y	81.2	Confident	72.3	Confident	24 Å²	24	61.1 Å²	61.1	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-70.9	-42.6	173.7	176.2	-92.5	0	0	0	112	D557 K600 L603 S624 I625 I626 K631 K632	D557-Y628 HydrophobicContact CB-CE2 4.49Å; D557-Y628 PolarHBondContact OD2-OH 2.87Å; K600-Y628 HydrophobicContact CB-CE1 4.35Å; K600-Y628 HydrophobicContact CD-CD1 4.44Å; K600-Y628 HydrophobicContact CD-CD2 4.31Å; K600-Y628 HydrophobicContact CD-CE1 4.15Å; K600-Y628 HydrophobicContact CD-CE2 4Å; K600-Y628 HydrophobicContact CG-CD1 4.14Å; K600-Y628 HydrophobicContact CG-CE1 3.65Å; K600-Y628 HydrophobicContact CG-CE2 4.35Å; L603-Y628 HydrophobicContact CD2-CE1 3.8Å; S624-Y628 VanDerWaalsContact O-CB 3.25Å; S624-Y628 WeakPolarHBondContact O-CB 3.26Å; S624-Y628 PolarHBondContact O-N 3.5Å; I625-Y628 WeakPolarHBondContact O-CB 3.4Å; I625-Y628 PolarHBondContact O-N 3.34Å; I625-Y628 VanDerWaalsContact O-N 3.17Å; I626-Y628 PolarHBondContact O-N 3.09Å; Y628-K631 PolarHBondContact O-N 3.02Å; Y628-K632 HydrophobicContact CD1-CG 4.33Å; Y628-K632 HydrophobicContact CD2-CG 4.49Å; Y628-K632 HydrophobicContact CE1-CG 3.98Å; Y628-K632 HydrophobicContact CE2-CD 4.41Å; Y628-K632 VanDerWaalsContact CE2-CE 3.42Å; Y628-K632 HydrophobicContact CE2-CG 4.17Å; Y628-K632 WeakPolarHBondContact O-CB 3.28Å; Y628-K632 WeakPolarHBondContact O-CG 3.38Å; Y628-K632 PolarHBondContact O-N 3.34Å; Y628-K632 WeakPolarHBondContact OH-CE 3.36Å; Y628-K632 PolarHBondContact OH-NZ 3.41Å
629	L	80.8	Confident	72.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-47.1	176.4	-73.5	170.4	0	0	0	111.4	F599 L603 I625 I626 K631 K632 G633 Y634 V637 A638 F641	F599-L629 HydrophobicContact CE1-CD1 4.47Å; F599-L629 HydrophobicContact CE1-CD2 4.06Å; F599-L629 HydrophobicContact CE1-CG 4.36Å; F599-L629 HydrophobicContact CZ-CD1 4.13Å; F599-L629 HydrophobicContact CZ-CD2 4.03Å; F599-L629 HydrophobicContact CZ-CG 4.41Å; L603-L629 HydrophobicContact CD2-CD2 4.01Å; I625-L629 HydrophobicContact CG2-CD1 4.12Å; I625-L629 HydrophobicContact CG2-CG 4.45Å; I625-L629 WeakPolarHBondContact O-CG 3.44Å; I625-L629 PolarHBondContact O-N 2.87Å; I626-L629 PolarHBondContact O-N 3.02Å; I626-L629 VanDerWaalsContact O-N 3.1Å; L629-K631 PolarHBondContact O-N 3.45Å; L629-K632 CarbonylContact O-C 3.49Å; L629-K632 PolarHBondContact O-N 2.97Å; L629-K632 VanDerWaalsContact O-N 3.12Å; L629-G633 PolarHBondContact O-N 3.49Å; L629-Y634 PolarHBondContact O-N 3.11Å; L629-V637 HydrophobicContact CD1-CB 4.36Å; L629-V637 HydrophobicContact CD1-CG1 4.11Å; L629-A638 HydrophobicContact CB-CB 4.07Å; L629-A638 HydrophobicContact CD1-CB 4.1Å; L629-F641 HydrophobicContact CD1-CD2 4.33Å; L629-F641 HydrophobicContact CD1-CE2 4.17Å
630	Q	78	Confident	73.4	Confident	66 Å²	66	57 Å²	57	31%	0.308	31%	0.31	S	S	.	.	H	α-helix	trans	-53.6	-52.2	171.9	-72.4	179.2	-68.3	0	0	111.2	I626 K632 G633 L651 E654	I626-Q630 WeakPolarHBondContact O-CG 3.49Å; I626-Q630 PolarHBondContact O-N 3.42Å; Q630-K632 PolarHBondContact O-N 2.98Å; Q630-G633 PolarHBondContact O-N 2.8Å; Q630-L651 HydrophobicContact CG-CD2 3.56Å; Q630-E654 PolarHBondContact NE2-OE1 3.36Å; Q630-E654 PolarHBondContact NE2-OE2 3.02Å
631	K	81.4	Confident	73.8	Confident	190 Å²	190	58.2 Å²	58.2	83%	0.826	31%	0.314	S	S	*	.	H	α-helix	trans	-62.4	-26.9	179.4	-175.7	173.5	-179.1	178.7	0	113.8	A627 Y628 L629	A627-K631 VanDerWaalsContact O-CB 3.25Å; A627-K631 WeakPolarHBondContact O-CB 3.24Å; A627-K631 PolarHBondContact O-N 3.02Å; A627-K631 VanDerWaalsContact O-N 3.08Å; Y628-K631 PolarHBondContact O-N 3.02Å; L629-K631 PolarHBondContact O-N 3.45Å
632	K	80.1	Confident	74.7	Confident	83 Å²	83	52.2 Å²	52.2	36%	0.361	28%	0.278	S	S	.	.	H	α-helix	trans	-90.1	-1.5	177	-65.6	-82	174	155.7	0	112.8	D557 Y628 L629 Q630 Y634	D557-K632 IonicContact OD1-NZ 3.62Å; D557-K632 PolarHBondContact OD1-NZ 3.16Å; D557-K632 IonicContact OD2-NZ 2.67Å; D557-K632 PolarHBondContact OD2-NZ 3.46Å; Y628-K632 HydrophobicContact CD1-CG 4.33Å; Y628-K632 HydrophobicContact CD2-CG 4.49Å; Y628-K632 HydrophobicContact CE1-CG 3.98Å; Y628-K632 HydrophobicContact CE2-CD 4.41Å; Y628-K632 VanDerWaalsContact CE2-CE 3.42Å; Y628-K632 HydrophobicContact CE2-CG 4.17Å; Y628-K632 WeakPolarHBondContact O-CB 3.28Å; Y628-K632 WeakPolarHBondContact O-CG 3.38Å; Y628-K632 PolarHBondContact O-N 3.34Å; Y628-K632 WeakPolarHBondContact OH-CE 3.36Å; Y628-K632 PolarHBondContact OH-NZ 3.41Å; L629-K632 CarbonylContact O-C 3.49Å; L629-K632 PolarHBondContact O-N 2.97Å; L629-K632 VanDerWaalsContact O-N 3.12Å; Q630-K632 PolarHBondContact O-N 2.98Å; K632-Y634 HydrophobicContact CB-CD2 3.87Å; K632-Y634 HydrophobicContact CB-CE2 4.16Å; K632-Y634 WeakPolarHBondContact O-CD2 3.36Å; K632-Y634 WeakPolarHBondContact O-CE2 3.39Å
633	G	75.8	Confident	75.3	Confident	54 Å²	54	60.5 Å²	60.5	56%	0.557	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	26.4	178	0	0	0	0	0	114.8	L629 Q630 P635	L629-G633 PolarHBondContact O-N 3.49Å; Q630-G633 PolarHBondContact O-N 2.8Å; G633-P635 WeakPolarHBondContact O-CD 3.34Å
634	Y	78.3	Confident	76.1	Confident	64 Å²	64	58.7 Å²	58.7	25%	0.251	30%	0.301	S	S	.	.			trans	-119.4	57.1	176.8	-58.2	-79.3	0	0	0	112.3	L603 L629 K632 E636 V637	L603-Y634 HydrophobicContact CD1-CD2 4.09Å; L603-Y634 HydrophobicContact CD1-CE2 4.03Å; L603-Y634 HydrophobicContact CD1-CG 4.48Å; L603-Y634 HydrophobicContact CD2-CD2 4.04Å; L603-Y634 HydrophobicContact CD2-CE2 4.15Å; L603-Y634 HydrophobicContact CG-CD2 4.43Å; L603-Y634 HydrophobicContact CG-CE2 4.19Å; L629-Y634 PolarHBondContact O-N 3.11Å; K632-Y634 HydrophobicContact CB-CD2 3.87Å; K632-Y634 HydrophobicContact CB-CE2 4.16Å; K632-Y634 WeakPolarHBondContact O-CD2 3.36Å; K632-Y634 WeakPolarHBondContact O-CE2 3.39Å; Y634-E636 PolarHBondContact O-N 3.25Å; Y634-V637 PolarHBondContact O-N 3.39Å
635	P	73.2	Confident	76.6	Confident	19 Å²	19	58.5 Å²	58.5	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-26.8	-179.4	32.1	-36.8	0	0	0	112.3	G633 V637 A638 L639 L651 E654 C655	G633-P635 WeakPolarHBondContact O-CD 3.34Å; P635-V637 PolarHBondContact O-N 3.27Å; P635-A638 WeakPolarHBondContact O-CA 3.47Å; P635-A638 VanDerWaalsContact O-CB 3.31Å; P635-A638 WeakPolarHBondContact O-CB 3.26Å; P635-A638 PolarHBondContact O-N 2.79Å; P635-L639 PolarHBondContact O-N 3.09Å; P635-L651 HydrophobicContact CB-CD2 3.98Å; P635-E654 HydrophobicContact CB-CB 4.37Å; P635-C655 VanDerWaalsContact CB-SG 3.52Å
636	E	71.5	Confident	77	Confident	92 Å²	92	62.9 Å²	62.9	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-52.1	-51.8	174.4	-63	162.7	-153.2	0	0	112.1	Y634 A638 L639 C655	Y634-E636 PolarHBondContact O-N 3.25Å; E636-A638 PolarHBondContact O-N 3.13Å; E636-L639 WeakPolarHBondContact O-CB 3.43Å; E636-L639 PolarHBondContact O-N 2.9Å; E636-C655 PolarHBondContact N-SG 2.99Å; E636-C655 VanDerWaalsContact N-SG 3.36Å
637	V	75	Confident	77.4	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-67.6	-28.8	179.2	-177.8	0	0	0	0	110.8	V615 L629 Y634 P635 F641 F818	V615-V637 HydrophobicContact CG2-CG1 4.12Å; L629-V637 HydrophobicContact CD1-CB 4.36Å; L629-V637 HydrophobicContact CD1-CG1 4.11Å; Y634-V637 PolarHBondContact O-N 3.39Å; P635-V637 PolarHBondContact O-N 3.27Å; V637-F641 HydrophobicContact CG1-CE2 4.3Å; V637-F641 VanDerWaalsContact O-CD2 3.28Å; V637-F641 WeakPolarHBondContact O-CD2 3.48Å; V637-F818 HydrophobicContact CG2-CD1 4.37Å; V637-F818 HydrophobicContact CG2-CD2 4.18Å; V637-F818 HydrophobicContact CG2-CE1 4.19Å; V637-F818 HydrophobicContact CG2-CE2 4Å; V637-F818 HydrophobicContact CG2-CG 4.36Å; V637-F818 HydrophobicContact CG2-CZ 3.98Å
638	A	73.6	Confident	77.7	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-71.7	-33.4	177.1	0	0	0	0	0	112.6	I626 L629 P635 E636 H640 F641 L651	I626-A638 HydrophobicContact CG2-CB 4.28Å; L629-A638 HydrophobicContact CB-CB 4.07Å; L629-A638 HydrophobicContact CD1-CB 4.1Å; P635-A638 WeakPolarHBondContact O-CA 3.47Å; P635-A638 VanDerWaalsContact O-CB 3.31Å; P635-A638 WeakPolarHBondContact O-CB 3.26Å; P635-A638 PolarHBondContact O-N 2.79Å; E636-A638 PolarHBondContact O-N 3.13Å; A638-H640 PolarHBondContact O-N 3.3Å; A638-F641 PolarHBondContact O-N 2.76Å; A638-L651 HydrophobicContact CB-CD1 4.21Å; A638-L651 HydrophobicContact CB-CD2 4.05Å
639	L	74.8	Confident	78	Confident	22 Å²	22	63.5 Å²	63.5	12%	0.115	31%	0.306	C	S	.	.	H	α-helix	trans	-56	-36.7	179.6	-167.5	73.2	0	0	0	112.5	P635 E636 F641 V642 R648 L651 A652 V660	P635-L639 PolarHBondContact O-N 3.09Å; E636-L639 WeakPolarHBondContact O-CB 3.43Å; E636-L639 PolarHBondContact O-N 2.9Å; L639-F641 VanDerWaalsContact C-N 3.29Å; L639-F641 PolarHBondContact O-N 3.32Å; L639-V642 PolarHBondContact O-N 2.71Å; L639-R648 HydrophobicContact CD1-CG 3.98Å; L639-L651 HydrophobicContact CD1-CB 3.99Å; L639-A652 HydrophobicContact CD1-CB 4.31Å; L639-V660 HydrophobicContact CD1-CG1 4.35Å; L639-V660 HydrophobicContact CD2-CG1 4.34Å
640	H	73.6	Confident	78.2	Confident	126 Å²	126	65 Å²	65	58%	0.583	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-23.2	177.1	-72.2	-69.1	0	0	0	114.5	A638	A638-H640 PolarHBondContact O-N 3.3Å
641	F	69.3	Low	78.4	Confident	48 Å²	48	62 Å²	62	21%	0.211	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-15.2	179.1	-69.7	-73	0	0	0	113.3	F599 V615 L620 I626 L629 V637 A638 L639	F599-F641 HydrophobicContact CE2-CZ 4.48Å; V615-F641 HydrophobicContact CB-CE1 4.45Å; V615-F641 HydrophobicContact CB-CE2 4.45Å; V615-F641 HydrophobicContact CB-CZ 3.84Å; V615-F641 HydrophobicContact CG1-CE1 4.05Å; V615-F641 HydrophobicContact CG1-CE2 4.05Å; V615-F641 HydrophobicContact CG1-CZ 3.67Å; V615-F641 HydrophobicContact CG2-CE2 3.85Å; V615-F641 HydrophobicContact CG2-CZ 3.54Å; L620-F641 HydrophobicContact CB-CE1 3.94Å; L620-F641 HydrophobicContact CB-CZ 4.45Å; L620-F641 HydrophobicContact CD1-CE1 4.16Å; L620-F641 HydrophobicContact CD1-CZ 3.98Å; I626-F641 HydrophobicContact CD1-CB 4.38Å; I626-F641 HydrophobicContact CG1-CB 4.24Å; L629-F641 HydrophobicContact CD1-CD2 4.33Å; L629-F641 HydrophobicContact CD1-CE2 4.17Å; V637-F641 HydrophobicContact CG1-CE2 4.3Å; V637-F641 VanDerWaalsContact O-CD2 3.28Å; V637-F641 WeakPolarHBondContact O-CD2 3.48Å; A638-F641 PolarHBondContact O-N 2.76Å; L639-F641 VanDerWaalsContact C-N 3.29Å; L639-F641 PolarHBondContact O-N 3.32Å
642	V	73	Confident	78.5	Confident	9 Å²	9	53 Å²	53	6%	0.055	26%	0.263	C	S	.	.			trans	-97	122.2	-170.8	175.1	0	0	0	0	111.6	I626 L639 D644 T647 R648 L651	I626-V642 HydrophobicContact CD1-CG2 3.55Å; I626-V642 HydrophobicContact CG1-CG2 3.97Å; I626-V642 HydrophobicContact CG2-CG2 4.28Å; L639-V642 PolarHBondContact O-N 2.71Å; V642-D644 WeakPolarHBondContact CG1-O 3.37Å; V642-T647 WeakPolarHBondContact CG1-OG1 3.28Å; V642-R648 HydrophobicContact CG1-CB 4Å; V642-L651 HydrophobicContact CB-CD1 4.11Å; V642-L651 HydrophobicContact CG2-CD1 3.52Å
643	K	74.7	Confident	78.8	Confident	199 Å²	199	50.3 Å²	50.3	87%	0.865	25%	0.252	S	S	*	.			trans	-107.6	-5.3	174.5	-60.7	-169.4	174.5	-163.6	0	114
644	D	81.8	Confident	78.9	Confident	80 Å²	80	52.7 Å²	52.7	43%	0.428	25%	0.249	S	C	.	.			trans	-91.1	119.4	176.8	157.4	58.1	0	0	0	108.4	V642 K646 T647 R648	V642-D644 WeakPolarHBondContact CG1-O 3.37Å; D644-K646 PolarHBondContact O-N 3.01Å; D644-K646 PolarHBondContact OD1-N 3.29Å; D644-T647 WeakPolarHBondContact CB-OG1 3.37Å; D644-T647 PolarHBondContact O-N 3.24Å; D644-T647 PolarHBondContact O-OG1 2.82Å; D644-T647 WeakPolarHBondContact OD2-CB 3.32Å; D644-T647 WeakPolarHBondContact OD2-CG2 3.28Å; D644-T647 PolarHBondContact OD2-N 3.25Å; D644-T647 PolarHBondContact OD2-OG1 2.85Å; D644-R648 VanDerWaalsContact O-CB 3.29Å; D644-R648 WeakPolarHBondContact O-CB 3.16Å; D644-R648 PolarHBondContact O-N 2.92Å
645	E	83.2	Confident	78.7	Confident	70 Å²	70	50.4 Å²	50.4	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-30.3	-173.8	-64.8	-53.1	139.4	0	0	112.9	R648 F649 A667 L668	E645-R648 PolarHBondContact O-N 3.04Å; E645-R648 WeakPolarHBondContact OE2-CD 3.46Å; E645-F649 VanDerWaalsContact O-CB 3.25Å; E645-F649 WeakPolarHBondContact O-CB 3.17Å; E645-F649 PolarHBondContact O-N 3.12Å; E645-A667 HydrophobicContact CG-CB 4.4Å; E645-L668 HydrophobicContact CB-CD2 4.06Å; E645-L668 HydrophobicContact CB-CG 4.17Å
646	K	84.9	Confident	78.8	Confident	101 Å²	101	49.8 Å²	49.8	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-72.1	-43.1	-179.7	-165.2	158.5	-163.8	144.3	0	112.6	D644 S650 L668 E670	D644-K646 PolarHBondContact O-N 3.01Å; D644-K646 PolarHBondContact OD1-N 3.29Å; K646-S650 PolarHBondContact O-N 3.09Å; K646-L668 HydrophobicContact CB-CD2 4.42Å; K646-E670 IonicContact NZ-OE1 3.94Å; K646-E670 PolarHBondContact NZ-OE1 2.78Å; K646-E670 IonicContact NZ-OE2 3.22Å; K646-E670 PolarHBondContact NZ-OE2 2.85Å
647	T	83.3	Confident	79.3	Confident	44 Å²	44	48 Å²	48	27%	0.27	23%	0.232	S	C	.	.	H	α-helix	trans	-73.4	-31.9	171.9	46	0	0	0	0	112.2	V642 D644 S650 L651	V642-T647 WeakPolarHBondContact CG1-OG1 3.28Å; D644-T647 WeakPolarHBondContact CB-OG1 3.37Å; D644-T647 PolarHBondContact O-N 3.24Å; D644-T647 PolarHBondContact O-OG1 2.82Å; D644-T647 WeakPolarHBondContact OD2-CB 3.32Å; D644-T647 WeakPolarHBondContact OD2-CG2 3.28Å; D644-T647 PolarHBondContact OD2-N 3.25Å; D644-T647 PolarHBondContact OD2-OG1 2.85Å; T647-S650 PolarHBondContact O-N 2.66Å; T647-L651 WeakPolarHBondContact O-CB 3.49Å; T647-L651 WeakPolarHBondContact O-CG 3.37Å; T647-L651 PolarHBondContact O-N 2.74Å
648	R	84.3	Confident	79.8	Confident	59 Å²	59	48.1 Å²	48.1	22%	0.223	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-47	172.8	-171.6	178	174.5	81.2	-0.1	111.4	L639 V642 D644 E645 L651 A652 V660	L639-R648 HydrophobicContact CD1-CG 3.98Å; V642-R648 HydrophobicContact CG1-CB 4Å; D644-R648 VanDerWaalsContact O-CB 3.29Å; D644-R648 WeakPolarHBondContact O-CB 3.16Å; D644-R648 PolarHBondContact O-N 2.92Å; E645-R648 PolarHBondContact O-N 3.04Å; E645-R648 WeakPolarHBondContact OE2-CD 3.46Å; R648-L651 PolarHBondContact O-N 3.18Å; R648-A652 VanDerWaalsContact O-CB 3.28Å; R648-A652 WeakPolarHBondContact O-CB 3.4Å; R648-A652 PolarHBondContact O-N 2.68Å; R648-V660 HydrophobicContact CG-CG1 4.23Å
649	F	88.1	Confident	80.2	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-50	175.1	177.7	-109.3	0	0	0	111.9	E645 L651 A652 L653 A661 A664 A665 L668 C673 R676 L677	E645-F649 VanDerWaalsContact O-CB 3.25Å; E645-F649 WeakPolarHBondContact O-CB 3.17Å; E645-F649 PolarHBondContact O-N 3.12Å; F649-L651 VanDerWaalsContact C-N 3.35Å; F649-L651 PolarHBondContact O-N 3.29Å; F649-A652 PolarHBondContact O-N 2.93Å; F649-L653 HydrophobicContact CD1-CD1 4.19Å; F649-L653 HydrophobicContact CE1-CD1 3.5Å; F649-L653 HydrophobicContact CE1-CG 4.26Å; F649-L653 HydrophobicContact CE2-CD1 4.18Å; F649-L653 HydrophobicContact CE2-CD2 4.27Å; F649-L653 HydrophobicContact CE2-CG 4.16Å; F649-L653 HydrophobicContact CZ-CD1 3.49Å; F649-L653 VanDerWaalsContact CZ-CD1 3.49Å; F649-L653 HydrophobicContact CZ-CD2 4.23Å; F649-L653 HydrophobicContact CZ-CG 3.98Å; F649-L653 WeakPolarHBondContact O-CG 3.27Å; F649-L653 PolarHBondContact O-N 2.72Å; F649-A661 HydrophobicContact CD2-CB 4.13Å; F649-A661 VanDerWaalsContact CD2-O 3.25Å; F649-A661 WeakPolarHBondContact CD2-O 3.5Å; F649-A661 HydrophobicContact CE2-CB 4.11Å; F649-A661 WeakPolarHBondContact CE2-O 3.45Å; F649-A664 HydrophobicContact CB-CB 3.84Å; F649-A664 HydrophobicContact CD2-CB 4.27Å; F649-A665 HydrophobicContact CD2-CB 4.25Å; F649-A665 HydrophobicContact CE2-CB 3.9Å; F649-L668 HydrophobicContact CB-CD1 4.03Å; F649-L668 HydrophobicContact CG-CD1 4.39Å; F649-C673 HydrophobicContact CD1-CB 4.19Å; F649-C673 HydrophobicContact CE1-CB 3.64Å; F649-C673 HydrophobicContact CE2-CB 4.34Å; F649-C673 HydrophobicContact CZ-CB 3.73Å; F649-C673 VanDerWaalsContact CZ-O 3.26Å; F649-C673 WeakPolarHBondContact CZ-O 3.01Å; F649-R676 HydrophobicContact CE1-CB 4.41Å; F649-R676 HydrophobicContact CZ-CB 4.39Å; F649-L677 HydrophobicContact CE2-CB 4.19Å; F649-L677 HydrophobicContact CE2-CD1 4.47Å; F649-L677 HydrophobicContact CZ-CB 4.17Å
650	S	84.9	Confident	80.7	Confident	32 Å²	32	55.2 Å²	55.2	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-36.1	-179.6	-157	0	0	0	0	112.6	K646 T647 E654 R676	K646-S650 PolarHBondContact O-N 3.09Å; T647-S650 PolarHBondContact O-N 2.66Å; S650-E654 WeakPolarHBondContact O-CG 3.46Å; S650-E654 PolarHBondContact O-N 3.16Å; S650-R676 PolarHBondContact OG-NH2 2.7Å
651	L	82.7	Confident	81.3	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-66.5	-41.2	172.1	-80.5	169.5	0	0	0	112	I626 Q630 P635 A638 L639 V642 T647 R648 F649 L653 E654 C655	I626-L651 HydrophobicContact CG2-CD1 4.22Å; Q630-L651 HydrophobicContact CG-CD2 3.56Å; P635-L651 HydrophobicContact CB-CD2 3.98Å; A638-L651 HydrophobicContact CB-CD1 4.21Å; A638-L651 HydrophobicContact CB-CD2 4.05Å; L639-L651 HydrophobicContact CD1-CB 3.99Å; V642-L651 HydrophobicContact CB-CD1 4.11Å; V642-L651 HydrophobicContact CG2-CD1 3.52Å; T647-L651 WeakPolarHBondContact O-CB 3.49Å; T647-L651 WeakPolarHBondContact O-CG 3.37Å; T647-L651 PolarHBondContact O-N 2.74Å; R648-L651 PolarHBondContact O-N 3.18Å; F649-L651 VanDerWaalsContact C-N 3.35Å; F649-L651 PolarHBondContact O-N 3.29Å; L651-L653 VanDerWaalsContact C-N 3.34Å; L651-L653 PolarHBondContact O-N 3.04Å; L651-E654 CarbonylContact O-C 3.54Å; L651-E654 PolarHBondContact O-N 3.28Å; L651-C655 WeakPolarHBondContact O-CB 3.47Å; L651-C655 PolarHBondContact O-N 3.49Å; L651-C655 PolarHBondContact O-SG 2.88Å
652	A	83.6	Confident	82.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-41.3	177.8	0	0	0	0	0	111	L639 R648 F649 C655 G656 N657 V660 A661	L639-A652 HydrophobicContact CD1-CB 4.31Å; R648-A652 VanDerWaalsContact O-CB 3.28Å; R648-A652 WeakPolarHBondContact O-CB 3.4Å; R648-A652 PolarHBondContact O-N 2.68Å; F649-A652 PolarHBondContact O-N 2.93Å; A652-C655 CarbonylContact O-C 3.53Å; A652-C655 PolarHBondContact O-N 2.82Å; A652-G656 CarbonylContact O-C 3.53Å; A652-G656 WeakPolarHBondContact O-CA 3.27Å; A652-G656 PolarHBondContact O-N 2.79Å; A652-N657 PolarHBondContact O-N 3.04Å; A652-V660 HydrophobicContact CB-CB 4.22Å; A652-V660 HydrophobicContact CB-CG1 4.1Å; A652-A661 HydrophobicContact CB-CB 3.77Å
653	L	84.7	Confident	82.8	Confident	28 Å²	28	53.5 Å²	53.5	15%	0.147	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-39.8	170.9	-67	-177.6	0	0	0	113.1	F649 L651 G656 A661 R676 L677 A680	F649-L653 HydrophobicContact CD1-CD1 4.19Å; F649-L653 HydrophobicContact CE1-CD1 3.5Å; F649-L653 HydrophobicContact CE1-CG 4.26Å; F649-L653 HydrophobicContact CE2-CD1 4.18Å; F649-L653 HydrophobicContact CE2-CD2 4.27Å; F649-L653 HydrophobicContact CE2-CG 4.16Å; F649-L653 HydrophobicContact CZ-CD1 3.49Å; F649-L653 VanDerWaalsContact CZ-CD1 3.49Å; F649-L653 HydrophobicContact CZ-CD2 4.23Å; F649-L653 HydrophobicContact CZ-CG 3.98Å; F649-L653 WeakPolarHBondContact O-CG 3.27Å; F649-L653 PolarHBondContact O-N 2.72Å; L651-L653 VanDerWaalsContact C-N 3.34Å; L651-L653 PolarHBondContact O-N 3.04Å; L653-G656 WeakPolarHBondContact O-CA 3.43Å; L653-G656 PolarHBondContact O-N 2.93Å; L653-A661 HydrophobicContact CD2-CB 3.95Å; L653-A661 HydrophobicContact CG-CB 4.42Å; L653-R676 HydrophobicContact CD1-CB 3.94Å; L653-L677 HydrophobicContact CD2-CD1 4Å; L653-A680 HydrophobicContact CD2-CB 3.72Å
654	E	79.1	Confident	83.4	Confident	104 Å²	104	44 Å²	44	49%	0.486	22%	0.219	S	C	.	.	H	α-helix	trans	-66.7	-37.1	174.5	-77	172.3	-166.4	0	0	112.6	Q630 P635 S650 L651 G656	Q630-E654 PolarHBondContact NE2-OE1 3.36Å; Q630-E654 PolarHBondContact NE2-OE2 3.02Å; P635-E654 HydrophobicContact CB-CB 4.37Å; S650-E654 WeakPolarHBondContact O-CG 3.46Å; S650-E654 PolarHBondContact O-N 3.16Å; L651-E654 CarbonylContact O-C 3.54Å; L651-E654 PolarHBondContact O-N 3.28Å; E654-G656 PolarHBondContact O-N 3.06Å
655	C	73.1	Confident	83.7	Confident	16 Å²	16	40.2 Å²	40.2	11%	0.108	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.3	169.9	-59.1	0	0	0	0	112.6	P635 E636 L651 A652 N657 F904	P635-C655 VanDerWaalsContact CB-SG 3.52Å; E636-C655 PolarHBondContact N-SG 2.99Å; E636-C655 VanDerWaalsContact N-SG 3.36Å; L651-C655 WeakPolarHBondContact O-CB 3.47Å; L651-C655 PolarHBondContact O-N 3.49Å; L651-C655 PolarHBondContact O-SG 2.88Å; A652-C655 CarbonylContact O-C 3.53Å; A652-C655 PolarHBondContact O-N 2.82Å; C655-N657 HydrophobicContact CB-CB 4.5Å; C655-N657 PolarHBondContact O-N 3.03Å; C655-F904 WeakPolarHBondContact O-CE2 3.48Å; C655-F904 WeakPolarHBondContact O-CZ 3.33Å
656	G	75.4	Confident	84	Confident	6 Å²	6	42.7 Å²	42.7	6%	0.062	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	8.9	-168.6	0	0	0	0	0	116.7	A652 L653 E654 I658 Q684 F904	A652-G656 CarbonylContact O-C 3.53Å; A652-G656 WeakPolarHBondContact O-CA 3.27Å; A652-G656 PolarHBondContact O-N 2.79Å; L653-G656 WeakPolarHBondContact O-CA 3.43Å; L653-G656 PolarHBondContact O-N 2.93Å; E654-G656 PolarHBondContact O-N 3.06Å; G656-I658 WeakPolarHBondContact O-CG1 3.42Å; G656-I658 PolarHBondContact O-N 3.1Å; G656-Q684 VanDerWaalsContact CA-NE2 3.28Å; G656-Q684 PolarHBondContact O-NE2 3.18Å; G656-Q684 PolarHBondContact O-OE1 3.11Å; G656-F904 VanDerWaalsContact C-CE2 3.5Å; G656-F904 WeakPolarHBondContact O-CE2 3.38Å
657	N	81.7	Confident	84.2	Confident	53 Å²	53	41.3 Å²	41.3	28%	0.283	22%	0.215	S	C	.	.			trans	-71.7	96.4	-179.6	-175.2	-46.6	0	0	0	109.6	A652 C655 E659 V660 A661	A652-N657 PolarHBondContact O-N 3.04Å; C655-N657 HydrophobicContact CB-CB 4.5Å; C655-N657 PolarHBondContact O-N 3.03Å; N657-E659 VanDerWaalsContact C-N 3.34Å; N657-E659 PolarHBondContact O-N 2.78Å; N657-E659 PolarHBondContact OD1-N 3.32Å; N657-V660 WeakPolarHBondContact OD1-CG2 3.17Å; N657-V660 PolarHBondContact OD1-N 3.21Å; N657-A661 VanDerWaalsContact O-CB 3.26Å; N657-A661 WeakPolarHBondContact O-CB 3.44Å; N657-A661 PolarHBondContact O-N 3.37Å
658	I	85.3	Confident	84.4	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.051	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-30.3	-174.2	-58.3	-56.4	0	0	0	112	G656 A661 L662 L677 A680 A681 V689	G656-I658 WeakPolarHBondContact O-CG1 3.42Å; G656-I658 PolarHBondContact O-N 3.1Å; I658-A661 PolarHBondContact O-N 3Å; I658-L662 WeakPolarHBondContact O-CB 3.42Å; I658-L662 PolarHBondContact O-N 2.93Å; I658-L677 HydrophobicContact CD1-CD1 4.35Å; I658-L677 HydrophobicContact CG2-CD1 4.13Å; I658-A680 HydrophobicContact CD1-CB 4.11Å; I658-A681 HydrophobicContact CD1-CB 4.37Å; I658-A681 HydrophobicContact CG2-CB 4.23Å; I658-V689 HydrophobicContact CG2-CB 4.15Å; I658-V689 HydrophobicContact CG2-CG1 3.82Å; I658-V689 HydrophobicContact CG2-CG2 3.93Å
659	E	83.4	Confident	84.5	Confident	151 Å²	151	43.1 Å²	43.1	71%	0.706	23%	0.227	S	C	*	.	H	α-helix	trans	-66.2	-53.6	178.9	-62.1	-179.3	164.8	0	0	111.3	N657 A661 L662 E663	N657-E659 VanDerWaalsContact C-N 3.34Å; N657-E659 PolarHBondContact O-N 2.78Å; N657-E659 PolarHBondContact OD1-N 3.32Å; E659-A661 VanDerWaalsContact C-N 3.26Å; E659-A661 PolarHBondContact O-N 3.24Å; E659-L662 WeakPolarHBondContact O-CB 3.17Å; E659-L662 PolarHBondContact O-N 3.32Å; E659-E663 PolarHBondContact O-N 3.05Å
660	V	84.1	Confident	84.5	Confident	19 Å²	19	46.2 Å²	46.2	12%	0.115	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-32.7	176.6	178.7	0	0	0	0	111.1	L639 R648 A652 N657 A664	L639-V660 HydrophobicContact CD1-CG1 4.35Å; L639-V660 HydrophobicContact CD2-CG1 4.34Å; R648-V660 HydrophobicContact CG-CG1 4.23Å; A652-V660 HydrophobicContact CB-CB 4.22Å; A652-V660 HydrophobicContact CB-CG1 4.1Å; N657-V660 WeakPolarHBondContact OD1-CG2 3.17Å; N657-V660 PolarHBondContact OD1-N 3.21Å; V660-A664 WeakPolarHBondContact O-CB 3.48Å; V660-A664 PolarHBondContact O-N 3.39Å
661	A	86.2	Confident	84.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.9	-33.4	172.9	0	0	0	0	0	112.3	F649 A652 L653 N657 I658 E659 A665 L677	F649-A661 HydrophobicContact CD2-CB 4.13Å; F649-A661 VanDerWaalsContact CD2-O 3.25Å; F649-A661 WeakPolarHBondContact CD2-O 3.5Å; F649-A661 HydrophobicContact CE2-CB 4.11Å; F649-A661 WeakPolarHBondContact CE2-O 3.45Å; A652-A661 HydrophobicContact CB-CB 3.77Å; L653-A661 HydrophobicContact CD2-CB 3.95Å; L653-A661 HydrophobicContact CG-CB 4.42Å; N657-A661 VanDerWaalsContact O-CB 3.26Å; N657-A661 WeakPolarHBondContact O-CB 3.44Å; N657-A661 PolarHBondContact O-N 3.37Å; I658-A661 PolarHBondContact O-N 3Å; E659-A661 VanDerWaalsContact C-N 3.26Å; E659-A661 PolarHBondContact O-N 3.24Å; A661-A665 WeakPolarHBondContact O-CB 3.38Å; A661-A665 PolarHBondContact O-N 3.07Å; A661-L677 HydrophobicContact CB-CD1 3.65Å
662	L	87.7	Confident	84.9	Confident	26 Å²	26	55 Å²	55	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-71.7	-42	175.5	177.7	63.6	0	0	0	111.6	I658 E659 A665 K666 W674 L677 V689 M692	I658-L662 WeakPolarHBondContact O-CB 3.42Å; I658-L662 PolarHBondContact O-N 2.93Å; E659-L662 WeakPolarHBondContact O-CB 3.17Å; E659-L662 PolarHBondContact O-N 3.32Å; L662-A665 PolarHBondContact O-N 3.26Å; L662-K666 HydrophobicContact CD1-CG 4.45Å; L662-K666 HydrophobicContact CG-CD 4.39Å; L662-K666 WeakPolarHBondContact O-CB 3.39Å; L662-K666 VanDerWaalsContact O-CG 3.27Å; L662-K666 WeakPolarHBondContact O-CG 3.25Å; L662-K666 PolarHBondContact O-N 3.35Å; L662-W674 HydrophobicContact CD1-CH2 3.93Å; L662-W674 HydrophobicContact CD1-CZ3 3.63Å; L662-L677 HydrophobicContact CB-CD2 4.17Å; L662-L677 HydrophobicContact CD1-CD2 3.87Å; L662-V689 HydrophobicContact CD1-CG1 4.43Å; L662-V689 HydrophobicContact CD2-CG2 4.45Å; L662-M692 HydrophobicContact CD1-SD 3.94Å
663	E	87.1	Confident	85.2	Confident	122 Å²	122	55.2 Å²	55.2	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-58.3	-51.1	171.9	-70.4	-178.7	159.9	0	0	111.3	E659 A665 K666 A667	E659-E663 PolarHBondContact O-N 3.05Å; E663-A665 VanDerWaalsContact C-N 3.35Å; E663-A665 PolarHBondContact O-N 2.84Å; E663-K666 PolarHBondContact O-N 3.34Å; E663-A667 PolarHBondContact O-N 2.83Å
664	A	86.6	Confident	85.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-36	178.8	0	0	0	0	0	112.2	F649 V660 A667 L668	F649-A664 HydrophobicContact CB-CB 3.84Å; F649-A664 HydrophobicContact CD2-CB 4.27Å; V660-A664 WeakPolarHBondContact O-CB 3.48Å; V660-A664 PolarHBondContact O-N 3.39Å; A664-A667 PolarHBondContact O-N 2.87Å; A664-L668 WeakPolarHBondContact O-CB 3.48Å; A664-L668 WeakPolarHBondContact O-CD1 3.34Å; A664-L668 VanDerWaalsContact O-CG 3.22Å; A664-L668 WeakPolarHBondContact O-CG 3.35Å; A664-L668 PolarHBondContact O-N 3Å
665	A	88.8	Confident	85.9	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-41.7	174	0	0	0	0	0	112.3	F649 A661 L662 E663 A667 L668 D669 W674 L677	F649-A665 HydrophobicContact CD2-CB 4.25Å; F649-A665 HydrophobicContact CE2-CB 3.9Å; A661-A665 WeakPolarHBondContact O-CB 3.38Å; A661-A665 PolarHBondContact O-N 3.07Å; L662-A665 PolarHBondContact O-N 3.26Å; E663-A665 VanDerWaalsContact C-N 3.35Å; E663-A665 PolarHBondContact O-N 2.84Å; A665-A667 VanDerWaalsContact C-N 3.3Å; A665-A667 PolarHBondContact O-N 2.8Å; A665-L668 PolarHBondContact O-N 2.98Å; A665-D669 PolarHBondContact O-N 3.45Å; A665-W674 HydrophobicContact CB-CD2 4.49Å; A665-W674 HydrophobicContact CB-CE3 4.37Å; A665-W674 HydrophobicContact CB-CH2 4.4Å; A665-W674 HydrophobicContact CB-CZ3 4.33Å; A665-L677 HydrophobicContact CB-CD2 3.84Å
666	K	88.8	Confident	86.7	Confident	121 Å²	121	57.6 Å²	57.6	53%	0.526	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-37.3	173.2	-74.8	172.3	178.4	177.4	0	112.1	L662 E663 W674	L662-K666 HydrophobicContact CD1-CG 4.45Å; L662-K666 HydrophobicContact CG-CD 4.39Å; L662-K666 WeakPolarHBondContact O-CB 3.39Å; L662-K666 VanDerWaalsContact O-CG 3.27Å; L662-K666 WeakPolarHBondContact O-CG 3.25Å; L662-K666 PolarHBondContact O-N 3.35Å; E663-K666 PolarHBondContact O-N 3.34Å; K666-W674 HydrophobicContact CG-CH2 3.76Å; K666-W674 HydrophobicContact CG-CZ2 4.17Å
667	A	88.5	Confident	87.4	Confident	72 Å²	72	57.3 Å²	57.3	60%	0.595	28%	0.281	S	S	*	.	H	α-helix	trans	-73.4	-29.4	178	0	0	0	0	0	113.7	E645 E663 A664 A665	E645-A667 HydrophobicContact CG-CB 4.4Å; E663-A667 PolarHBondContact O-N 2.83Å; A664-A667 PolarHBondContact O-N 2.87Å; A665-A667 VanDerWaalsContact C-N 3.3Å; A665-A667 PolarHBondContact O-N 2.8Å
668	L	87.9	Confident	87.8	Confident	48 Å²	48	54.8 Å²	54.8	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-89.2	-33.9	-180	-69.2	167.7	0	0	0	113.7	E645 K646 F649 A664 A665 E670	E645-L668 HydrophobicContact CB-CD2 4.06Å; E645-L668 HydrophobicContact CB-CG 4.17Å; K646-L668 HydrophobicContact CB-CD2 4.42Å; F649-L668 HydrophobicContact CB-CD1 4.03Å; F649-L668 HydrophobicContact CG-CD1 4.39Å; A664-L668 WeakPolarHBondContact O-CB 3.48Å; A664-L668 WeakPolarHBondContact O-CD1 3.34Å; A664-L668 VanDerWaalsContact O-CG 3.22Å; A664-L668 WeakPolarHBondContact O-CG 3.35Å; A664-L668 PolarHBondContact O-N 3Å; A665-L668 PolarHBondContact O-N 2.98Å; L668-E670 PolarHBondContact O-N 3Å
669	D	87.4	Confident	87.9	Confident	93 Å²	93	59.9 Å²	59.9	50%	0.497	29%	0.292	S	S	.	.			trans	43.4	27.7	-172.8	-151.3	25.9	0	0	0	116.3	A665 W674	A665-D669 PolarHBondContact O-N 3.45Å; D669-W674 PolarHBondContact OD1-NE1 3.38Å
670	E	88.7	Confident	88	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.318	27%	0.265	S	S	.	.			trans	-78.4	127	172.6	-72	-175.2	-162.9	0	0	110.5	K646 L668 S672 C673 W674	K646-E670 IonicContact NZ-OE1 3.94Å; K646-E670 PolarHBondContact NZ-OE1 2.78Å; K646-E670 IonicContact NZ-OE2 3.22Å; K646-E670 PolarHBondContact NZ-OE2 2.85Å; L668-E670 PolarHBondContact O-N 3Å; E670-S672 PolarHBondContact O-N 3.36Å; E670-S672 VanDerWaalsContact O-N 3.07Å; E670-S672 PolarHBondContact OE2-OG 3.1Å; E670-C673 HydrophobicContact CB-CB 4.33Å; E670-C673 WeakPolarHBondContact O-CB 3.29Å; E670-C673 PolarHBondContact O-N 3.08Å; E670-W674 PolarHBondContact O-N 3.12Å
671	R	87.4	Confident	88.1	Confident	160 Å²	160	52.7 Å²	52.7	60%	0.604	26%	0.26	S	S	*	.	H	α-helix	trans	-47.8	-39.5	173	179.3	178.8	171.7	154	6.5	113.3	C673 W674 E675 T697	R671-C673 VanDerWaalsContact C-N 3.28Å; R671-C673 PolarHBondContact O-N 3.17Å; R671-W674 PolarHBondContact O-N 3.45Å; R671-E675 IonicContact CZ-OE1 2.8Å; R671-E675 IonicContact NE-OE1 3.56Å; R671-E675 PolarHBondContact NE-OE1 2.99Å; R671-E675 IonicContact NH2-OE1 3.8Å; R671-E675 PolarHBondContact NH2-OE1 3.2Å; R671-E675 WeakPolarHBondContact O-CG 3.44Å; R671-E675 PolarHBondContact O-N 3.07Å; R671-T697 HydrophobicContact CG-CG2 4.41Å
672	S	88.3	Confident	88	Confident	59 Å²	59	56 Å²	56	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-28.6	179.4	78	0	0	0	0	113.5	E670 R676	E670-S672 PolarHBondContact O-N 3.36Å; E670-S672 VanDerWaalsContact O-N 3.07Å; E670-S672 PolarHBondContact OE2-OG 3.1Å; S672-R676 WeakPolarHBondContact O-CG 3.12Å; S672-R676 PolarHBondContact O-N 2.68Å
673	C	89.1	Confident	87.8	Confident	4 Å²	4	61.1 Å²	61.1	3%	0.027	30%	0.304	C	S	.	.	H	α-helix	trans	-75.2	-43.9	175.2	-65.9	0	0	0	0	110.2	F649 E670 R671 E675 R676 L677	F649-C673 HydrophobicContact CD1-CB 4.19Å; F649-C673 HydrophobicContact CE1-CB 3.64Å; F649-C673 HydrophobicContact CE2-CB 4.34Å; F649-C673 HydrophobicContact CZ-CB 3.73Å; F649-C673 VanDerWaalsContact CZ-O 3.26Å; F649-C673 WeakPolarHBondContact CZ-O 3.01Å; E670-C673 HydrophobicContact CB-CB 4.33Å; E670-C673 WeakPolarHBondContact O-CB 3.29Å; E670-C673 PolarHBondContact O-N 3.08Å; R671-C673 VanDerWaalsContact C-N 3.28Å; R671-C673 PolarHBondContact O-N 3.17Å; C673-E675 VanDerWaalsContact C-N 3.35Å; C673-E675 PolarHBondContact O-N 2.89Å; C673-R676 PolarHBondContact O-N 3.01Å; C673-L677 WeakPolarHBondContact O-CB 3.25Å; C673-L677 PolarHBondContact O-N 2.59Å
674	W	90.1	Very high	87.2	Confident	7 Å²	7	56.4 Å²	56.4	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-59.8	-40.1	174.8	-68.9	115.6	0	0	0	113.4	L662 A665 K666 D669 E670 R671 L677 G678 M692 R696 T697	L662-W674 HydrophobicContact CD1-CH2 3.93Å; L662-W674 HydrophobicContact CD1-CZ3 3.63Å; A665-W674 HydrophobicContact CB-CD2 4.49Å; A665-W674 HydrophobicContact CB-CE3 4.37Å; A665-W674 HydrophobicContact CB-CH2 4.4Å; A665-W674 HydrophobicContact CB-CZ3 4.33Å; K666-W674 HydrophobicContact CG-CH2 3.76Å; K666-W674 HydrophobicContact CG-CZ2 4.17Å; D669-W674 PolarHBondContact OD1-NE1 3.38Å; E670-W674 PolarHBondContact O-N 3.12Å; R671-W674 PolarHBondContact O-N 3.45Å; W674-L677 HydrophobicContact CE3-CD2 4.15Å; W674-L677 HydrophobicContact CZ3-CD2 4.09Å; W674-G678 PolarHBondContact O-N 3.44Å; W674-M692 HydrophobicContact CH2-SD 4.44Å; W674-M692 HydrophobicContact CZ3-SD 4.38Å; W674-R696 HydrophobicContact CD2-CB 4.3Å; W674-R696 HydrophobicContact CD2-CG 4.48Å; W674-R696 HydrophobicContact CG-CB 4.34Å; W674-T697 HydrophobicContact CB-CG2 3.57Å
675	E	89.2	Confident	86.8	Confident	77 Å²	77	56.6 Å²	56.6	36%	0.36	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-47.4	175.3	-70.7	174.1	177.5	0	0	111.5	R671 C673 L677 G678 E679 T697	R671-E675 IonicContact CZ-OE1 2.8Å; R671-E675 IonicContact NE-OE1 3.56Å; R671-E675 PolarHBondContact NE-OE1 2.99Å; R671-E675 IonicContact NH2-OE1 3.8Å; R671-E675 PolarHBondContact NH2-OE1 3.2Å; R671-E675 WeakPolarHBondContact O-CG 3.44Å; R671-E675 PolarHBondContact O-N 3.07Å; C673-E675 VanDerWaalsContact C-N 3.35Å; C673-E675 PolarHBondContact O-N 2.89Å; E675-L677 PolarHBondContact O-N 3Å; E675-G678 PolarHBondContact O-N 3.08Å; E675-E679 PolarHBondContact O-N 2.87Å; E675-E679 VanDerWaalsContact O-N 3.08Å; E675-T697 HydrophobicContact CG-CG2 3.61Å
676	R	88.9	Confident	86.6	Confident	113 Å²	113	58.7 Å²	58.7	43%	0.426	29%	0.294	S	S	.	.	H	α-helix	trans	-64.4	-38.1	176.6	-72.9	176.8	65.1	-165.2	-0.8	113.5	F649 S650 L653 S672 C673 E679 A680	F649-R676 HydrophobicContact CE1-CB 4.41Å; F649-R676 HydrophobicContact CZ-CB 4.39Å; S650-R676 PolarHBondContact OG-NH2 2.7Å; L653-R676 HydrophobicContact CD1-CB 3.94Å; S672-R676 WeakPolarHBondContact O-CG 3.12Å; S672-R676 PolarHBondContact O-N 2.68Å; C673-R676 PolarHBondContact O-N 3.01Å; R676-E679 PolarHBondContact O-N 2.94Å; R676-A680 PolarHBondContact O-N 2.79Å; R676-A680 VanDerWaalsContact O-N 3.09Å
677	L	90.8	Very high	86.4	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.3	-42.9	176.3	-177.8	62	0	0	0	110.8	F649 L653 I658 A661 L662 A665 C673 W674 E675 E679 A680 A681 V689	F649-L677 HydrophobicContact CE2-CB 4.19Å; F649-L677 HydrophobicContact CE2-CD1 4.47Å; F649-L677 HydrophobicContact CZ-CB 4.17Å; L653-L677 HydrophobicContact CD2-CD1 4Å; I658-L677 HydrophobicContact CD1-CD1 4.35Å; I658-L677 HydrophobicContact CG2-CD1 4.13Å; A661-L677 HydrophobicContact CB-CD1 3.65Å; L662-L677 HydrophobicContact CB-CD2 4.17Å; L662-L677 HydrophobicContact CD1-CD2 3.87Å; A665-L677 HydrophobicContact CB-CD2 3.84Å; C673-L677 WeakPolarHBondContact O-CB 3.25Å; C673-L677 PolarHBondContact O-N 2.59Å; W674-L677 HydrophobicContact CE3-CD2 4.15Å; W674-L677 HydrophobicContact CZ3-CD2 4.09Å; E675-L677 PolarHBondContact O-N 3Å; L677-E679 PolarHBondContact O-N 3.29Å; L677-A680 PolarHBondContact O-N 2.82Å; L677-A681 VanDerWaalsContact O-CB 3.24Å; L677-A681 WeakPolarHBondContact O-CB 3.38Å; L677-A681 PolarHBondContact O-N 3.01Å; L677-V689 HydrophobicContact CD2-CG1 4.16Å; L677-V689 HydrophobicContact CG-CG1 4.13Å
678	G	88.8	Confident	86.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-40.6	175.1	0	0	0	0	0	113	W674 E675 L682	W674-G678 PolarHBondContact O-N 3.44Å; E675-G678 PolarHBondContact O-N 3.08Å; G678-L682 WeakPolarHBondContact O-CB 3.45Å; G678-L682 PolarHBondContact O-N 3.34Å
679	E	87.8	Confident	86.2	Confident	118 Å²	118	53.2 Å²	53.2	55%	0.551	26%	0.258	S	S	*	.	H	α-helix	trans	-65.6	-44.3	174.8	-71.4	-179.8	172.1	0	0	112.6	E675 R676 L677 L682 L683	E675-E679 PolarHBondContact O-N 2.87Å; E675-E679 VanDerWaalsContact O-N 3.08Å; R676-E679 PolarHBondContact O-N 2.94Å; L677-E679 PolarHBondContact O-N 3.29Å; E679-L682 PolarHBondContact O-N 2.78Å; E679-L683 WeakPolarHBondContact O-CG 3.26Å; E679-L683 PolarHBondContact O-N 3.07Å; E679-L683 VanDerWaalsContact O-N 3.07Å
680	A	85.6	Confident	86.2	Confident	18 Å²	18	48.8 Å²	48.8	15%	0.149	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-43.6	178.6	0	0	0	0	0	112.7	L653 I658 R676 L677 L682 L683 Q684	L653-A680 HydrophobicContact CD2-CB 3.72Å; I658-A680 HydrophobicContact CD1-CB 4.11Å; R676-A680 PolarHBondContact O-N 2.79Å; R676-A680 VanDerWaalsContact O-N 3.09Å; L677-A680 PolarHBondContact O-N 2.82Å; A680-L682 VanDerWaalsContact C-N 3.33Å; A680-L682 PolarHBondContact O-N 3.09Å; A680-L683 PolarHBondContact O-N 2.85Å; A680-Q684 PolarHBondContact O-N 2.87Å
681	A	86.6	Confident	86.2	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-37.6	176.3	0	0	0	0	0	111.8	I658 L677 Q684 G685 H686 V689 V690	I658-A681 HydrophobicContact CD1-CB 4.37Å; I658-A681 HydrophobicContact CG2-CB 4.23Å; L677-A681 VanDerWaalsContact O-CB 3.24Å; L677-A681 WeakPolarHBondContact O-CB 3.38Å; L677-A681 PolarHBondContact O-N 3.01Å; A681-Q684 PolarHBondContact O-N 2.73Å; A681-G685 PolarHBondContact O-N 2.77Å; A681-H686 HydrophobicContact CB-CB 4.17Å; A681-H686 PolarHBondContact O-N 3.5Å; A681-V689 HydrophobicContact CB-CB 4.07Å; A681-V689 HydrophobicContact CB-CG1 4.05Å; A681-V690 HydrophobicContact CB-CG2 3.71Å
682	L	85.1	Confident	86.1	Confident	70 Å²	70	42.8 Å²	42.8	37%	0.366	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-39.3	175.5	-178	64.4	0	0	0	112.2	G678 E679 A680 Q684 G685 V690	G678-L682 WeakPolarHBondContact O-CB 3.45Å; G678-L682 PolarHBondContact O-N 3.34Å; E679-L682 PolarHBondContact O-N 2.78Å; A680-L682 VanDerWaalsContact C-N 3.33Å; A680-L682 PolarHBondContact O-N 3.09Å; L682-Q684 PolarHBondContact O-N 2.68Å; L682-G685 PolarHBondContact O-N 3.18Å; L682-V690 HydrophobicContact CB-CG2 3.81Å; L682-V690 VanDerWaalsContact N-CG2 3.33Å
683	L	81.6	Confident	86.1	Confident	134 Å²	134	40 Å²	40	70%	0.702	19%	0.194	S	C	*	.	H	α-helix	trans	-63.3	-27.2	175.2	-77.8	167.1	0	0	0	113.2	E679 A680	E679-L683 WeakPolarHBondContact O-CG 3.26Å; E679-L683 PolarHBondContact O-N 3.07Å; E679-L683 VanDerWaalsContact O-N 3.07Å; A680-L683 PolarHBondContact O-N 2.85Å
684	Q	74.9	Confident	86.2	Confident	23 Å²	23	40.7 Å²	40.7	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-93.2	-21.1	177.3	-66.6	-180	13.1	0	0	113.6	G656 A680 A681 L682 H686 L810	G656-Q684 VanDerWaalsContact CA-NE2 3.28Å; G656-Q684 PolarHBondContact O-NE2 3.18Å; G656-Q684 PolarHBondContact O-OE1 3.11Å; A680-Q684 PolarHBondContact O-N 2.87Å; A681-Q684 PolarHBondContact O-N 2.73Å; L682-Q684 PolarHBondContact O-N 2.68Å; Q684-H686 PolarHBondContact OE1-CD2 3.24Å; Q684-L810 WeakPolarHBondContact O-CD2 3.23Å
685	G	79.5	Confident	86	Confident	4 Å²	4	44.6 Å²	44.6	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	11.2	-177.5	0	0	0	0	0	115.4	A681 L682 H687 W808	A681-G685 PolarHBondContact O-N 2.77Å; L682-G685 PolarHBondContact O-N 3.18Å; G685-H687 PolarHBondContact O-N 2.99Å; G685-W808 PolarHBondContact O-N 3.44Å
686	H	82.9	Confident	85.9	Confident	44 Å²	44	48.4 Å²	48.4	20%	0.204	23%	0.226	C	C	.	.			trans	-76.8	65.5	174	-72.7	-72.6	0	0	0	111.5	A681 Q684 Q688 V689 V690 N807	A681-H686 HydrophobicContact CB-CB 4.17Å; A681-H686 PolarHBondContact O-N 3.5Å; Q684-H686 PolarHBondContact OE1-CD2 3.24Å; H686-Q688 PolarHBondContact O-N 3.34Å; H686-Q688 VanDerWaalsContact O-N 3.16Å; H686-V689 HydrophobicContact CB-CG2 4.5Å; H686-V689 PolarHBondContact O-N 3.31Å; H686-V689 VanDerWaalsContact O-N 3.12Å; H686-V690 WeakPolarHBondContact O-CG2 3.2Å; H686-V690 PolarHBondContact O-N 2.81Å; H686-N807 WeakPolarHBondContact CA-OD1 3.47Å
687	H	85.4	Confident	85.7	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-25.6	-171.2	73.4	-115.8	0	0	0	113.7	G685 V690 E691 L706 L804 T806 N807	G685-H687 PolarHBondContact O-N 2.99Å; H687-V690 WeakPolarHBondContact O-CB 3.38Å; H687-V690 PolarHBondContact O-N 3.25Å; H687-E691 PolarHBondContact O-N 3.06Å; H687-L706 HydrophobicContact CB-CD1 4.29Å; H687-L804 PolarHBondContact CE1-O 3.05Å; H687-L804 PolarHBondContact NE2-O 3.19Å; H687-T806 PolarHBondContact CE1-O 3.45Å; H687-N807 PolarHBondContact N-OD1 3.45Å; H687-N807 VanDerWaalsContact N-OD1 3.16Å
688	Q	85.7	Confident	85.6	Confident	96 Å²	96	51 Å²	51	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-40	176.3	-66	174.3	-13.5	0	0	111.8	H686 E691 M692 D805 N807	H686-Q688 PolarHBondContact O-N 3.34Å; H686-Q688 VanDerWaalsContact O-N 3.16Å; Q688-E691 PolarHBondContact O-N 3.21Å; Q688-M692 PolarHBondContact O-N 3.23Å; Q688-D805 PolarHBondContact NE2-O 3.34Å; Q688-N807 PolarHBondContact N-OD1 2.93Å; Q688-N807 PolarHBondContact OE1-ND2 2.88Å
689	V	86.1	Confident	85.4	Confident	21 Å²	21	53.1 Å²	53.1	13%	0.127	25%	0.252	C	S	.	.	H	α-helix	trans	-70.2	-37.2	174.1	-179.6	0	0	0	0	110.3	I658 L662 L677 A681 H686 E691 M692 C693	I658-V689 HydrophobicContact CG2-CB 4.15Å; I658-V689 HydrophobicContact CG2-CG1 3.82Å; I658-V689 HydrophobicContact CG2-CG2 3.93Å; L662-V689 HydrophobicContact CD1-CG1 4.43Å; L662-V689 HydrophobicContact CD2-CG2 4.45Å; L677-V689 HydrophobicContact CD2-CG1 4.16Å; L677-V689 HydrophobicContact CG-CG1 4.13Å; A681-V689 HydrophobicContact CB-CB 4.07Å; A681-V689 HydrophobicContact CB-CG1 4.05Å; H686-V689 HydrophobicContact CB-CG2 4.5Å; H686-V689 PolarHBondContact O-N 3.31Å; H686-V689 VanDerWaalsContact O-N 3.12Å; V689-E691 VanDerWaalsContact C-N 3.34Å; V689-E691 PolarHBondContact O-N 2.68Å; V689-M692 PolarHBondContact O-N 3.24Å; V689-C693 WeakPolarHBondContact O-CB 3.35Å; V689-C693 PolarHBondContact O-N 2.88Å; V689-C693 PolarHBondContact O-SG 2.87Å
690	V	88.2	Confident	85.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-41.8	173.7	-178.4	0	0	0	0	111.5	A681 L682 H686 H687 C693 Y694 L706	A681-V690 HydrophobicContact CB-CG2 3.71Å; L682-V690 HydrophobicContact CB-CG2 3.81Å; L682-V690 VanDerWaalsContact N-CG2 3.33Å; H686-V690 WeakPolarHBondContact O-CG2 3.2Å; H686-V690 PolarHBondContact O-N 2.81Å; H687-V690 WeakPolarHBondContact O-CB 3.38Å; H687-V690 PolarHBondContact O-N 3.25Å; V690-C693 PolarHBondContact O-N 3.11Å; V690-Y694 HydrophobicContact CG1-CD2 3.73Å; V690-Y694 HydrophobicContact CG1-CE1 4.14Å; V690-Y694 HydrophobicContact CG1-CE2 3.29Å; V690-Y694 HydrophobicContact CG1-CG 4.32Å; V690-Y694 PolarHBondContact O-N 2.93Å; V690-L706 HydrophobicContact CB-CD2 4.47Å; V690-L706 HydrophobicContact CG1-CD2 4.17Å
691	E	87.8	Confident	85.1	Confident	31 Å²	31	53.4 Å²	53.4	15%	0.145	25%	0.253	C	S	.	.	H	α-helix	trans	-58	-50.1	175.4	-164.2	-173.5	140.2	0	0	110.6	H687 Q688 V689 C693 Y694 Q695 L703 L706 Y707 K715	H687-E691 PolarHBondContact O-N 3.06Å; Q688-E691 PolarHBondContact O-N 3.21Å; V689-E691 VanDerWaalsContact C-N 3.34Å; V689-E691 PolarHBondContact O-N 2.68Å; E691-C693 PolarHBondContact O-N 2.79Å; E691-Y694 PolarHBondContact O-N 3.21Å; E691-Q695 VanDerWaalsContact O-CG 3.28Å; E691-Q695 WeakPolarHBondContact O-CG 3.42Å; E691-Q695 PolarHBondContact O-N 3.42Å; E691-Q695 PolarHBondContact OE1-NE2 2.71Å; E691-L703 HydrophobicContact CG-CD1 3.75Å; E691-L706 HydrophobicContact CB-CD2 4.31Å; E691-Y707 HydrophobicContact CG-CE1 4.08Å; E691-Y707 PolarHBondContact OE1-OH 3.08Å; E691-K715 IonicContact OE1-NZ 3.57Å; E691-K715 PolarHBondContact OE1-NZ 3.04Å; E691-K715 IonicContact OE2-NZ 2.72Å; E691-K715 PolarHBondContact OE2-NZ 2.95Å
692	M	86.1	Confident	85.1	Confident	71 Å²	71	57.7 Å²	57.7	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-44.8	176.4	-172.1	-177	-63.4	0	0	112	L662 W674 Q688 V689 Q695 R696	L662-M692 HydrophobicContact CD1-SD 3.94Å; W674-M692 HydrophobicContact CH2-SD 4.44Å; W674-M692 HydrophobicContact CZ3-SD 4.38Å; Q688-M692 PolarHBondContact O-N 3.23Å; V689-M692 PolarHBondContact O-N 3.24Å; M692-Q695 PolarHBondContact O-N 3.42Å; M692-R696 WeakPolarHBondContact O-CB 3.1Å; M692-R696 WeakPolarHBondContact O-CG 3.48Å; M692-R696 PolarHBondContact O-N 3.41Å
693	C	88.9	Confident	85.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-44.2	176.8	-69.7	0	0	0	0	112.2	V689 V690 E691 R696 T697	V689-C693 WeakPolarHBondContact O-CB 3.35Å; V689-C693 PolarHBondContact O-N 2.88Å; V689-C693 PolarHBondContact O-SG 2.87Å; V690-C693 PolarHBondContact O-N 3.11Å; E691-C693 PolarHBondContact O-N 2.79Å; C693-R696 PolarHBondContact O-N 3.07Å; C693-T697 WeakPolarHBondContact O-CB 3.4Å; C693-T697 VanDerWaalsContact O-CG2 3.25Å; C693-T697 WeakPolarHBondContact O-CG2 3.4Å; C693-T697 PolarHBondContact O-N 3.49Å; C693-T697 PolarHBondContact O-OG1 3.44Å
694	Y	89.5	Confident	85.4	Confident	19 Å²	19	48.7 Å²	48.7	8%	0.075	23%	0.225	C	C	.	.	H	α-helix	trans	-71.9	-32.9	179.8	-68.7	-13.9	0	0	0	113.2	V690 E691 T697 K698 N699 K702	V690-Y694 HydrophobicContact CG1-CD2 3.73Å; V690-Y694 HydrophobicContact CG1-CE1 4.14Å; V690-Y694 HydrophobicContact CG1-CE2 3.29Å; V690-Y694 HydrophobicContact CG1-CG 4.32Å; V690-Y694 PolarHBondContact O-N 2.93Å; E691-Y694 PolarHBondContact O-N 3.21Å; Y694-T697 WeakPolarHBondContact CA-OG1 3.22Å; Y694-K698 PolarHBondContact O-N 3.24Å; Y694-K698 VanDerWaalsContact O-N 3.09Å; Y694-N699 PolarHBondContact O-N 2.94Å; Y694-K702 HydrophobicContact CD2-CB 3.74Å; Y694-K702 HydrophobicContact CE1-CD 3.88Å; Y694-K702 HydrophobicContact CE2-CB 3.53Å; Y694-K702 HydrophobicContact CE2-CD 4.13Å; Y694-K702 HydrophobicContact CE2-CG 4.45Å; Y694-K702 HydrophobicContact CG-CB 4.32Å
695	Q	86.9	Confident	86	Confident	89 Å²	89	52.7 Å²	52.7	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-63.2	-51	169.7	-70.8	173.9	9.3	0	0	111.2	E691 M692 T697 K698 L703	E691-Q695 VanDerWaalsContact O-CG 3.28Å; E691-Q695 WeakPolarHBondContact O-CG 3.42Å; E691-Q695 PolarHBondContact O-N 3.42Å; E691-Q695 PolarHBondContact OE1-NE2 2.71Å; M692-Q695 PolarHBondContact O-N 3.42Å; Q695-T697 PolarHBondContact O-N 2.97Å; Q695-K698 PolarHBondContact O-N 3.38Å; Q695-L703 HydrophobicContact CG-CD2 4.03Å
696	R	86	Confident	86.3	Confident	156 Å²	156	53 Å²	53	59%	0.589	24%	0.243	S	C	*	.	H	α-helix	trans	-62	-41.1	178.8	-73.9	-78.6	172.5	164.7	-5.8	112.9	W674 M692 C693 K698	W674-R696 HydrophobicContact CD2-CB 4.3Å; W674-R696 HydrophobicContact CD2-CG 4.48Å; W674-R696 HydrophobicContact CG-CB 4.34Å; M692-R696 WeakPolarHBondContact O-CB 3.1Å; M692-R696 WeakPolarHBondContact O-CG 3.48Å; M692-R696 PolarHBondContact O-N 3.41Å; C693-R696 PolarHBondContact O-N 3.07Å; R696-K698 VanDerWaalsContact C-N 3.26Å; R696-K698 PolarHBondContact O-N 3.46Å
697	T	86.5	Confident	86.5	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.043	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.1	179.1	57.6	0	0	0	0	114	R671 W674 E675 C693 Y694 Q695 N699	R671-T697 HydrophobicContact CG-CG2 4.41Å; W674-T697 HydrophobicContact CB-CG2 3.57Å; E675-T697 HydrophobicContact CG-CG2 3.61Å; C693-T697 WeakPolarHBondContact O-CB 3.4Å; C693-T697 VanDerWaalsContact O-CG2 3.25Å; C693-T697 WeakPolarHBondContact O-CG2 3.4Å; C693-T697 PolarHBondContact O-N 3.49Å; C693-T697 PolarHBondContact O-OG1 3.44Å; Y694-T697 WeakPolarHBondContact CA-OG1 3.22Å; Q695-T697 PolarHBondContact O-N 2.97Å; T697-N699 VanDerWaalsContact C-N 3.32Å; T697-N699 PolarHBondContact O-N 3.49Å
698	K	86.9	Confident	86.4	Confident	162 Å²	162	53.4 Å²	53.4	70%	0.704	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	39.7	179.4	-70	-175.3	-178.3	-177.2	0	112.9	Y694 Q695 R696 F700	Y694-K698 PolarHBondContact O-N 3.24Å; Y694-K698 VanDerWaalsContact O-N 3.09Å; Q695-K698 PolarHBondContact O-N 3.38Å; R696-K698 VanDerWaalsContact C-N 3.26Å; R696-K698 PolarHBondContact O-N 3.46Å; K698-F700 HydrophobicContact CB-CE2 3.63Å; K698-F700 HydrophobicContact CB-CZ 4.2Å; K698-F700 HydrophobicContact CG-CE2 4.17Å; K698-F700 HydrophobicContact CG-CZ 4.31Å; K698-F700 WeakPolarHBondContact O-CD2 3.45Å; K698-F700 WeakPolarHBondContact O-CE2 3.28Å
699	N	85.2	Confident	86.3	Confident	43 Å²	43	52.6 Å²	52.6	23%	0.23	24%	0.244	C	C	.	.			trans	-103.4	82.9	-177.3	-161.1	-36.6	0	0	0	112	Y694 T697 K702 L703	Y694-N699 PolarHBondContact O-N 2.94Å; T697-N699 VanDerWaalsContact C-N 3.32Å; T697-N699 PolarHBondContact O-N 3.49Å; N699-K702 WeakPolarHBondContact OD1-CG 3.18Å; N699-L703 WeakPolarHBondContact O-CB 3.5Å; N699-L703 PolarHBondContact O-N 3.16Å
700	F	83.9	Confident	86	Confident	43 Å²	43	52.1 Å²	52.1	19%	0.189	24%	0.241	C	C	.	.	H	α-helix	trans	-78.3	-28.6	-166.8	-62.1	-85.8	0	0	0	114.2	K698 L703 T704 M719	K698-F700 HydrophobicContact CB-CE2 3.63Å; K698-F700 HydrophobicContact CB-CZ 4.2Å; K698-F700 HydrophobicContact CG-CE2 4.17Å; K698-F700 HydrophobicContact CG-CZ 4.31Å; K698-F700 WeakPolarHBondContact O-CD2 3.45Å; K698-F700 WeakPolarHBondContact O-CE2 3.28Å; F700-L703 HydrophobicContact CD1-CD2 4.38Å; F700-L703 PolarHBondContact O-N 3.27Å; F700-T704 VanDerWaalsContact O-CB 3.29Å; F700-T704 WeakPolarHBondContact O-CB 3.4Å; F700-T704 PolarHBondContact O-N 2.92Å; F700-T704 PolarHBondContact O-OG1 3.16Å; F700-M719 HydrophobicContact CD1-SD 3.97Å
701	D	83.5	Confident	85.7	Confident	99 Å²	99	52.6 Å²	52.6	53%	0.529	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-48.9	176.9	-50.4	-22	0	0	0	110.6	L703 T704 F705	D701-L703 VanDerWaalsContact C-N 3.3Å; D701-L703 PolarHBondContact O-N 2.91Å; D701-T704 PolarHBondContact O-N 3.36Å; D701-F705 PolarHBondContact O-N 3.06Å
702	K	86.3	Confident	85.5	Confident	90 Å²	90	52.6 Å²	52.6	39%	0.391	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-36	176.5	-66.5	-172.3	-177.8	-176.7	0	112	Y694 N699 L706	Y694-K702 HydrophobicContact CD2-CB 3.74Å; Y694-K702 HydrophobicContact CE1-CD 3.88Å; Y694-K702 HydrophobicContact CE2-CB 3.53Å; Y694-K702 HydrophobicContact CE2-CD 4.13Å; Y694-K702 HydrophobicContact CE2-CG 4.45Å; Y694-K702 HydrophobicContact CG-CB 4.32Å; N699-K702 WeakPolarHBondContact OD1-CG 3.18Å; K702-L706 WeakPolarHBondContact O-CB 3.43Å; K702-L706 PolarHBondContact O-N 3.46Å
703	L	86.9	Confident	85.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.6	-41.5	177.1	-170.8	62.3	0	0	0	112	E691 Q695 N699 F700 D701 L706 Y707 M719	E691-L703 HydrophobicContact CG-CD1 3.75Å; Q695-L703 HydrophobicContact CG-CD2 4.03Å; N699-L703 WeakPolarHBondContact O-CB 3.5Å; N699-L703 PolarHBondContact O-N 3.16Å; F700-L703 HydrophobicContact CD1-CD2 4.38Å; F700-L703 PolarHBondContact O-N 3.27Å; D701-L703 VanDerWaalsContact C-N 3.3Å; D701-L703 PolarHBondContact O-N 2.91Å; L703-L706 WeakPolarHBondContact O-CB 3.21Å; L703-L706 PolarHBondContact O-N 3.04Å; L703-Y707 HydrophobicContact CD1-CE1 4.04Å; L703-Y707 HydrophobicContact CD1-CE2 4.07Å; L703-Y707 WeakPolarHBondContact CD1-OH 3.46Å; L703-Y707 HydrophobicContact CD2-CE2 4.21Å; L703-Y707 HydrophobicContact CG-CD2 4.42Å; L703-Y707 HydrophobicContact CG-CE2 3.65Å; L703-Y707 WeakPolarHBondContact O-CD2 3.12Å; L703-Y707 PolarHBondContact O-N 2.77Å; L703-M719 HydrophobicContact CD2-CE 3.94Å; L703-M719 HydrophobicContact CD2-SD 3.87Å; L703-M719 HydrophobicContact CG-SD 4.44Å
704	T	86.3	Confident	85.1	Confident	15 Å²	15	56.4 Å²	56.4	9%	0.092	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-43.7	175.5	-60.3	0	0	0	0	110.8	F700 D701 Y707 L708 L716 A735 Y738	F700-T704 VanDerWaalsContact O-CB 3.29Å; F700-T704 WeakPolarHBondContact O-CB 3.4Å; F700-T704 PolarHBondContact O-N 2.92Å; F700-T704 PolarHBondContact O-OG1 3.16Å; D701-T704 PolarHBondContact O-N 3.36Å; T704-Y707 PolarHBondContact O-N 2.94Å; T704-L708 PolarHBondContact O-N 3.28Å; T704-L708 VanDerWaalsContact O-N 3.16Å; T704-L716 HydrophobicContact CG2-CD1 3.61Å; T704-A735 HydrophobicContact CG2-CB 4.3Å; T704-Y738 HydrophobicContact CG2-CD2 3.86Å; T704-Y738 HydrophobicContact CG2-CE2 4.04Å
705	F	86.5	Confident	84.9	Confident	108 Å²	108	58.6 Å²	58.6	47%	0.474	29%	0.287	S	S	.	.	H	α-helix	trans	-66.8	-35.5	174.2	-171.3	-115.1	0	0	0	112.9	D701 L708 I709	D701-F705 PolarHBondContact O-N 3.06Å; F705-L708 HydrophobicContact CD2-CD2 4.3Å; F705-L708 HydrophobicContact CE2-CD2 4.46Å; F705-L708 PolarHBondContact O-N 2.97Å; F705-I709 HydrophobicContact CD1-CD1 3.79Å; F705-I709 HydrophobicContact CE1-CD1 3.42Å; F705-I709 VanDerWaalsContact CE1-CD1 3.42Å; F705-I709 HydrophobicContact CE1-CG1 4.4Å; F705-I709 HydrophobicContact CG-CD1 4.5Å; F705-I709 HydrophobicContact CZ-CD1 3.82Å; F705-I709 HydrophobicContact CZ-CG1 4.43Å; F705-I709 WeakPolarHBondContact O-CG1 3.45Å; F705-I709 PolarHBondContact O-N 2.91Å; F705-I709 VanDerWaalsContact O-N 3.1Å
706	L	86.4	Confident	84.8	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.047	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-43.1	174.4	-173.9	62.9	0	0	0	111.5	H687 V690 E691 K702 L703 L708 I709 T710	H687-L706 HydrophobicContact CB-CD1 4.29Å; V690-L706 HydrophobicContact CB-CD2 4.47Å; V690-L706 HydrophobicContact CG1-CD2 4.17Å; E691-L706 HydrophobicContact CB-CD2 4.31Å; K702-L706 WeakPolarHBondContact O-CB 3.43Å; K702-L706 PolarHBondContact O-N 3.46Å; L703-L706 WeakPolarHBondContact O-CB 3.21Å; L703-L706 PolarHBondContact O-N 3.04Å; L706-L708 VanDerWaalsContact C-N 3.35Å; L706-L708 PolarHBondContact O-N 3.06Å; L706-I709 PolarHBondContact O-N 3.49Å; L706-T710 HydrophobicContact CD1-CG2 4.45Å; L706-T710 PolarHBondContact O-N 3.33Å; L706-T710 PolarHBondContact O-OG1 3.34Å; L706-T710 VanDerWaalsContact O-OG1 3.14Å
707	Y	86.7	Confident	84.8	Confident	6 Å²	6	53 Å²	53	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-68	-30.5	176.8	-60.8	-33.8	0	0	0	113.8	E691 L703 T704 T710 G711 N712 K715 M719	E691-Y707 HydrophobicContact CG-CE1 4.08Å; E691-Y707 PolarHBondContact OE1-OH 3.08Å; L703-Y707 HydrophobicContact CD1-CE1 4.04Å; L703-Y707 HydrophobicContact CD1-CE2 4.07Å; L703-Y707 WeakPolarHBondContact CD1-OH 3.46Å; L703-Y707 HydrophobicContact CD2-CE2 4.21Å; L703-Y707 HydrophobicContact CG-CD2 4.42Å; L703-Y707 HydrophobicContact CG-CE2 3.65Å; L703-Y707 WeakPolarHBondContact O-CD2 3.12Å; L703-Y707 PolarHBondContact O-N 2.77Å; T704-Y707 PolarHBondContact O-N 2.94Å; Y707-T710 WeakPolarHBondContact CA-OG1 3.41Å; Y707-G711 PolarHBondContact O-N 2.79Å; Y707-N712 PolarHBondContact O-N 3.34Å; Y707-K715 HydrophobicContact CD1-CB 3.92Å; Y707-K715 HydrophobicContact CD1-CD 3.95Å; Y707-K715 HydrophobicContact CD2-CB 3.75Å; Y707-K715 HydrophobicContact CE1-CB 3.87Å; Y707-K715 HydrophobicContact CE1-CD 3.35Å; Y707-K715 HydrophobicContact CE1-CG 4.25Å; Y707-K715 HydrophobicContact CE2-CB 3.68Å; Y707-K715 HydrophobicContact CE2-CD 4.47Å; Y707-K715 HydrophobicContact CG-CB 3.87Å; Y707-M719 HydrophobicContact CD2-CG 3.78Å; Y707-M719 HydrophobicContact CE2-CE 3.99Å; Y707-M719 HydrophobicContact CE2-CG 3.57Å; Y707-M719 HydrophobicContact CE2-SD 4.23Å
708	L	84.8	Confident	84.8	Confident	56 Å²	56	59.6 Å²	59.6	29%	0.293	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-45.4	169.5	174.9	64.1	0	0	0	111.1	T704 F705 L706 G711 Y738	T704-L708 PolarHBondContact O-N 3.28Å; T704-L708 VanDerWaalsContact O-N 3.16Å; F705-L708 HydrophobicContact CD2-CD2 4.3Å; F705-L708 HydrophobicContact CE2-CD2 4.46Å; F705-L708 PolarHBondContact O-N 2.97Å; L706-L708 VanDerWaalsContact C-N 3.35Å; L706-L708 PolarHBondContact O-N 3.06Å; L708-G711 PolarHBondContact O-N 2.96Å; L708-Y738 HydrophobicContact CD2-CD1 3.69Å; L708-Y738 HydrophobicContact CD2-CD2 4.21Å; L708-Y738 HydrophobicContact CD2-CE1 3.88Å; L708-Y738 HydrophobicContact CD2-CE2 4.38Å; L708-Y738 HydrophobicContact CD2-CG 3.86Å
709	I	82.4	Confident	84.6	Confident	80 Å²	80	52.9 Å²	52.9	41%	0.41	26%	0.262	S	S	.	.	H	α-helix	trans	-68.5	-40.7	-179.8	-68.1	170.1	0	0	0	112	F705 L706 G711 W808	F705-I709 HydrophobicContact CD1-CD1 3.79Å; F705-I709 HydrophobicContact CE1-CD1 3.42Å; F705-I709 VanDerWaalsContact CE1-CD1 3.42Å; F705-I709 HydrophobicContact CE1-CG1 4.4Å; F705-I709 HydrophobicContact CG-CD1 4.5Å; F705-I709 HydrophobicContact CZ-CD1 3.82Å; F705-I709 HydrophobicContact CZ-CG1 4.43Å; F705-I709 WeakPolarHBondContact O-CG1 3.45Å; F705-I709 PolarHBondContact O-N 2.91Å; F705-I709 VanDerWaalsContact O-N 3.1Å; L706-I709 PolarHBondContact O-N 3.49Å; I709-G711 VanDerWaalsContact C-N 3.25Å; I709-G711 PolarHBondContact O-N 3.49Å; I709-W808 HydrophobicContact CG2-CZ2 3.89Å
710	T	81	Confident	84.6	Confident	11 Å²	11	51.4 Å²	51.4	7%	0.067	25%	0.254	C	S	.	.	H	α-helix	trans	-78.2	-9.1	178	58.2	0	0	0	0	113.5	L706 Y707 N712 P803 L804	L706-T710 HydrophobicContact CD1-CG2 4.45Å; L706-T710 PolarHBondContact O-N 3.33Å; L706-T710 PolarHBondContact O-OG1 3.34Å; L706-T710 VanDerWaalsContact O-OG1 3.14Å; Y707-T710 WeakPolarHBondContact CA-OG1 3.41Å; T710-N712 VanDerWaalsContact C-N 3.31Å; T710-N712 PolarHBondContact O-N 3.37Å; T710-P803 WeakPolarHBondContact O-CA 3.44Å; T710-L804 PolarHBondContact O-N 3.17Å
711	G	81	Confident	84.7	Confident	9 Å²	9	55.3 Å²	55.3	9%	0.093	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	13	-179.1	0	0	0	0	0	114.6	Y707 L708 I709 L713	Y707-G711 PolarHBondContact O-N 2.79Å; L708-G711 PolarHBondContact O-N 2.96Å; I709-G711 VanDerWaalsContact C-N 3.25Å; I709-G711 PolarHBondContact O-N 3.49Å; G711-L713 PolarHBondContact O-N 3.31Å
712	N	83.4	Confident	84.7	Confident	32 Å²	32	53.1 Å²	53.1	17%	0.171	26%	0.258	C	S	.	.			trans	-81.4	80.5	-175.8	-162.4	-49.5	0	0	0	112	Y707 T710 A714 K715 L716	Y707-N712 PolarHBondContact O-N 3.34Å; T710-N712 VanDerWaalsContact C-N 3.31Å; T710-N712 PolarHBondContact O-N 3.37Å; N712-A714 PolarHBondContact O-N 3.34Å; N712-A714 PolarHBondContact OD1-N 2.85Å; N712-K715 HydrophobicContact CB-CB 4.39Å; N712-K715 PolarHBondContact O-N 3.01Å; N712-K715 WeakPolarHBondContact OD1-CB 3.28Å; N712-K715 WeakPolarHBondContact OD1-CG 3.36Å; N712-K715 PolarHBondContact OD1-N 3.25Å; N712-L716 WeakPolarHBondContact O-CB 3.45Å; N712-L716 PolarHBondContact O-N 3.24Å
713	L	83.1	Confident	84.7	Confident	85 Å²	85	49.3 Å²	49.3	45%	0.445	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-29.7	-179	-56.6	-179.7	0	0	0	113.2	G711 R717 L739 P800	G711-L713 PolarHBondContact O-N 3.31Å; L713-R717 WeakPolarHBondContact O-CB 3.38Å; L713-R717 PolarHBondContact O-N 3.48Å; L713-L739 HydrophobicContact CB-CD2 4.48Å; L713-L739 HydrophobicContact CD2-CD2 4.34Å; L713-P800 HydrophobicContact CD1-CG 4.36Å; L713-P800 HydrophobicContact CD2-CG 4.41Å; L713-P800 HydrophobicContact CG-CG 4.34Å
714	A	84	Confident	84.5	Confident	66 Å²	66	54.1 Å²	54.1	55%	0.545	27%	0.267	S	S	.	.	H	α-helix	trans	-69.7	-47.1	178.9	0	0	0	0	0	111.9	N712 L716 R717 K718	N712-A714 PolarHBondContact O-N 3.34Å; N712-A714 PolarHBondContact OD1-N 2.85Å; A714-L716 VanDerWaalsContact C-N 3.34Å; A714-R717 PolarHBondContact O-N 3.07Å; A714-K718 PolarHBondContact O-N 3.47Å; A714-K718 VanDerWaalsContact O-N 3.13Å
715	K	84.3	Confident	84.6	Confident	65 Å²	65	59.9 Å²	59.9	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-66.2	-36.8	173.8	-68.3	-173.8	-171.9	-169.7	0	111.5	E691 Y707 N712 K718 M719	E691-K715 IonicContact OE1-NZ 3.57Å; E691-K715 PolarHBondContact OE1-NZ 3.04Å; E691-K715 IonicContact OE2-NZ 2.72Å; E691-K715 PolarHBondContact OE2-NZ 2.95Å; Y707-K715 HydrophobicContact CD1-CB 3.92Å; Y707-K715 HydrophobicContact CD1-CD 3.95Å; Y707-K715 HydrophobicContact CD2-CB 3.75Å; Y707-K715 HydrophobicContact CE1-CB 3.87Å; Y707-K715 HydrophobicContact CE1-CD 3.35Å; Y707-K715 HydrophobicContact CE1-CG 4.25Å; Y707-K715 HydrophobicContact CE2-CB 3.68Å; Y707-K715 HydrophobicContact CE2-CD 4.47Å; Y707-K715 HydrophobicContact CG-CB 3.87Å; N712-K715 HydrophobicContact CB-CB 4.39Å; N712-K715 PolarHBondContact O-N 3.01Å; N712-K715 WeakPolarHBondContact OD1-CB 3.28Å; N712-K715 WeakPolarHBondContact OD1-CG 3.36Å; N712-K715 PolarHBondContact OD1-N 3.25Å; K715-K718 WeakPolarHBondContact O-CB 3.44Å; K715-K718 PolarHBondContact O-N 3.43Å; K715-M719 PolarHBondContact O-N 3.18Å
716	L	85.4	Confident	84.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-42.5	175.1	-173.7	60.9	0	0	0	112.4	T704 N712 A714 K718 M719 M720 L739	T704-L716 HydrophobicContact CG2-CD1 3.61Å; N712-L716 WeakPolarHBondContact O-CB 3.45Å; N712-L716 PolarHBondContact O-N 3.24Å; A714-L716 VanDerWaalsContact C-N 3.34Å; L716-K718 VanDerWaalsContact C-N 3.33Å; L716-K718 PolarHBondContact O-N 3.09Å; L716-M719 WeakPolarHBondContact O-CB 3.29Å; L716-M719 PolarHBondContact O-N 3.37Å; L716-M719 VanDerWaalsContact O-N 3.14Å; L716-M720 PolarHBondContact O-N 2.76Å; L716-L739 HydrophobicContact CB-CD2 4.21Å; L716-L739 HydrophobicContact CD2-CD2 3.75Å; L716-L739 HydrophobicContact CD2-CG 3.78Å; L716-L739 HydrophobicContact CG-CD1 4.37Å; L716-L739 HydrophobicContact CG-CD2 3.94Å; L716-L739 HydrophobicContact CG-CG 3.88Å
717	R	86.6	Confident	84.2	Confident	125 Å²	125	68.9 Å²	68.9	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-33.5	173.4	-165	-176.1	-60.2	-81.9	2.1	112.7	L713 A714 M720 K721 L739	L713-R717 WeakPolarHBondContact O-CB 3.38Å; L713-R717 PolarHBondContact O-N 3.48Å; A714-R717 PolarHBondContact O-N 3.07Å; R717-M720 WeakPolarHBondContact O-CB 3.35Å; R717-K721 PolarHBondContact O-N 2.98Å; R717-L739 HydrophobicContact CB-CD1 4.37Å
718	K	85.3	Confident	84.1	Confident	146 Å²	146	71.6 Å²	71.6	64%	0.635	35%	0.345	S	S	*	.	H	α-helix	trans	-65.6	-41.1	170.5	-70.2	-179.9	179.5	-175.1	0	111.5	A714 K715 L716 M720 K721 I722	A714-K718 PolarHBondContact O-N 3.47Å; A714-K718 VanDerWaalsContact O-N 3.13Å; K715-K718 WeakPolarHBondContact O-CB 3.44Å; K715-K718 PolarHBondContact O-N 3.43Å; L716-K718 VanDerWaalsContact C-N 3.33Å; L716-K718 PolarHBondContact O-N 3.09Å; K718-M720 VanDerWaalsContact C-N 3.35Å; K718-M720 PolarHBondContact O-N 2.93Å; K718-K721 PolarHBondContact O-N 3.47Å; K718-I722 WeakPolarHBondContact O-CG1 3.47Å; K718-I722 PolarHBondContact O-N 2.81Å; K718-I722 VanDerWaalsContact O-N 3.07Å
719	M	83.6	Confident	84	Confident	22 Å²	22	72.3 Å²	72.3	11%	0.108	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-38.2	175.8	-69.3	-61.3	124.5	0	0	112.7	F700 L703 Y707 K715 L716 K721 I722 A723	F700-M719 HydrophobicContact CD1-SD 3.97Å; L703-M719 HydrophobicContact CD2-CE 3.94Å; L703-M719 HydrophobicContact CD2-SD 3.87Å; L703-M719 HydrophobicContact CG-SD 4.44Å; Y707-M719 HydrophobicContact CD2-CG 3.78Å; Y707-M719 HydrophobicContact CE2-CE 3.99Å; Y707-M719 HydrophobicContact CE2-CG 3.57Å; Y707-M719 HydrophobicContact CE2-SD 4.23Å; K715-M719 PolarHBondContact O-N 3.18Å; L716-M719 WeakPolarHBondContact O-CB 3.29Å; L716-M719 PolarHBondContact O-N 3.37Å; L716-M719 VanDerWaalsContact O-N 3.14Å; M719-K721 PolarHBondContact O-N 3.24Å; M719-I722 HydrophobicContact CE-CD1 3.58Å; M719-I722 PolarHBondContact O-N 3.21Å; M719-I722 VanDerWaalsContact O-N 3.14Å; M719-I722 HydrophobicContact SD-CD1 4.14Å; M719-A723 PolarHBondContact O-N 3.29Å
720	M	85.2	Confident	84.1	Confident	12 Å²	12	72 Å²	72	6%	0.059	35%	0.352	C	S	.	.	H	α-helix	trans	-55.2	-49.7	174.4	-163.6	-179.3	83.5	0	0	111.8	L716 R717 K718 I722 A723 E724 H732 A735 A736 L739 E744	L716-M720 PolarHBondContact O-N 2.76Å; R717-M720 WeakPolarHBondContact O-CB 3.35Å; K718-M720 VanDerWaalsContact C-N 3.35Å; K718-M720 PolarHBondContact O-N 2.93Å; M720-I722 VanDerWaalsContact C-N 3.35Å; M720-I722 PolarHBondContact O-N 2.91Å; M720-A723 PolarHBondContact O-N 2.76Å; M720-E724 PolarHBondContact O-N 3.27Å; M720-H732 VanDerWaalsContact CG-CD2 3.42Å; M720-H732 WeakPolarHBondContact CG-CD2 3.36Å; M720-A735 HydrophobicContact CB-CB 3.93Å; M720-A735 HydrophobicContact CG-CB 4.06Å; M720-A736 HydrophobicContact SD-CB 4.21Å; M720-L739 HydrophobicContact CB-CD1 4.39Å; M720-L739 HydrophobicContact SD-CD1 3.67Å; M720-E744 HydrophobicContact CE-CG 4.03Å
721	K	85.8	Confident	84.2	Confident	125 Å²	125	71.8 Å²	71.8	54%	0.543	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-35.5	175.2	-66	-172.3	175.5	-167.9	0	113.2	R717 K718 M719 E724 I725	R717-K721 PolarHBondContact O-N 2.98Å; K718-K721 PolarHBondContact O-N 3.47Å; M719-K721 PolarHBondContact O-N 3.24Å; K721-E724 WeakPolarHBondContact O-CB 3.47Å; K721-E724 PolarHBondContact O-N 3.42Å; K721-I725 WeakPolarHBondContact O-CD1 3.34Å; K721-I725 VanDerWaalsContact O-CG1 3.28Å; K721-I725 WeakPolarHBondContact O-CG1 3.25Å; K721-I725 PolarHBondContact O-N 3.18Å
722	I	84.6	Confident	84.5	Confident	52 Å²	52	71.8 Å²	71.8	27%	0.267	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-37.2	176.8	-68.9	163.1	0	0	0	111.1	K718 M719 M720 R726	K718-I722 WeakPolarHBondContact O-CG1 3.47Å; K718-I722 PolarHBondContact O-N 2.81Å; K718-I722 VanDerWaalsContact O-N 3.07Å; M719-I722 HydrophobicContact CE-CD1 3.58Å; M719-I722 PolarHBondContact O-N 3.21Å; M719-I722 VanDerWaalsContact O-N 3.14Å; M719-I722 HydrophobicContact SD-CD1 4.14Å; M720-I722 VanDerWaalsContact C-N 3.35Å; M720-I722 PolarHBondContact O-N 2.91Å; I722-R726 WeakPolarHBondContact O-CB 3.36Å; I722-R726 WeakPolarHBondContact O-CD 3.43Å; I722-R726 VanDerWaalsContact O-CG 3.26Å; I722-R726 WeakPolarHBondContact O-CG 3.22Å; I722-R726 PolarHBondContact O-N 2.96Å
723	A	84.8	Confident	84.6	Confident	11 Å²	11	73.7 Å²	73.7	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-67	-40.8	174	0	0	0	0	0	111.7	M719 M720 R726 K727 D728 H732	M719-A723 PolarHBondContact O-N 3.29Å; M720-A723 PolarHBondContact O-N 2.76Å; A723-R726 CarbonylContact O-C 3.51Å; A723-R726 PolarHBondContact O-N 2.78Å; A723-K727 PolarHBondContact O-N 2.71Å; A723-K727 VanDerWaalsContact O-N 3.1Å; A723-D728 PolarHBondContact O-N 2.6Å; A723-H732 HydrophobicContact CB-CB 3.95Å
724	E	84.1	Confident	84.7	Confident	101 Å²	101	73 Å²	73	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-57.6	-53.7	173.2	-174.4	-179.3	-158	0	0	112.4	M720 K721 R726 K727	M720-E724 PolarHBondContact O-N 3.27Å; K721-E724 WeakPolarHBondContact O-CB 3.47Å; K721-E724 PolarHBondContact O-N 3.42Å; E724-R726 PolarHBondContact O-N 3.25Å; E724-K727 PolarHBondContact O-N 2.83Å
725	I	86.8	Confident	84.8	Confident	136 Å²	136	69.9 Å²	69.9	70%	0.697	33%	0.325	S	S	*	.	H	α-helix	trans	-56.2	-35.6	178.5	-69.7	163.7	0	0	0	111.4	K721 K727	K721-I725 WeakPolarHBondContact O-CD1 3.34Å; K721-I725 VanDerWaalsContact O-CG1 3.28Å; K721-I725 WeakPolarHBondContact O-CG1 3.25Å; K721-I725 PolarHBondContact O-N 3.18Å; I725-K727 VanDerWaalsContact C-N 3.34Å
726	R	82.5	Confident	84.8	Confident	129 Å²	129	66.8 Å²	66.8	49%	0.487	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.7	179.5	-70.2	174.8	178.9	179.2	5.1	114.7	I722 A723 E724 D728	I722-R726 WeakPolarHBondContact O-CB 3.36Å; I722-R726 WeakPolarHBondContact O-CD 3.43Å; I722-R726 VanDerWaalsContact O-CG 3.26Å; I722-R726 WeakPolarHBondContact O-CG 3.22Å; I722-R726 PolarHBondContact O-N 2.96Å; A723-R726 CarbonylContact O-C 3.51Å; A723-R726 PolarHBondContact O-N 2.78Å; E724-R726 PolarHBondContact O-N 3.25Å; R726-D728 PolarHBondContact O-N 2.71Å
727	K	83.8	Confident	84.8	Confident	177 Å²	177	69.9 Å²	69.9	77%	0.77	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	25.9	-174.4	-51.5	174.7	-177.8	173.9	0	113.2	A723 E724 I725 M729	A723-K727 PolarHBondContact O-N 2.71Å; A723-K727 VanDerWaalsContact O-N 3.1Å; E724-K727 PolarHBondContact O-N 2.83Å; I725-K727 VanDerWaalsContact C-N 3.34Å; K727-M729 PolarHBondContact O-N 3.16Å; K727-M729 VanDerWaalsContact O-N 3.13Å
728	D	83.3	Confident	84.8	Confident	63 Å²	63	66.7 Å²	66.7	34%	0.337	32%	0.316	S	S	.	.			trans	-82.7	86.8	171.6	178.7	7.2	0	0	0	109.8	A723 R726 S730 G731 H732	A723-D728 PolarHBondContact O-N 2.6Å; R726-D728 PolarHBondContact O-N 2.71Å; D728-S730 PolarHBondContact O-N 2.76Å; D728-S730 PolarHBondContact OD1-N 3.37Å; D728-S730 VanDerWaalsContact OD1-N 3.07Å; D728-G731 PolarHBondContact O-N 3.17Å; D728-G731 PolarHBondContact OD1-N 3.23Å; D728-G731 PolarHBondContact OD2-N 3.15Å; D728-H732 WeakPolarHBondContact O-CB 3.42Å; D728-H732 PolarHBondContact O-N 2.66Å
729	M	83.6	Confident	84.6	Confident	71 Å²	71	61.3 Å²	61.3	35%	0.35	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-24.1	-179.3	-54	-58.7	-81.2	0	0	112.8	K727 Y733 I748 N751 C752	K727-M729 PolarHBondContact O-N 3.16Å; K727-M729 VanDerWaalsContact O-N 3.13Å; M729-Y733 WeakPolarHBondContact O-CB 3.39Å; M729-Y733 PolarHBondContact O-N 2.78Å; M729-Y733 VanDerWaalsContact O-N 3.13Å; M729-I748 HydrophobicContact CE-CG2 4.21Å; M729-N751 HydrophobicContact CE-CB 4.13Å; M729-C752 WeakPolarHBondContact CE-SG 3.41Å
730	S	84.9	Confident	84.5	Confident	72 Å²	72	61.2 Å²	61.2	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-79.6	-51.1	-179.9	-172.1	0	0	0	0	110.8	D728 H732 Y733 Q734	D728-S730 PolarHBondContact O-N 2.76Å; D728-S730 PolarHBondContact OD1-N 3.37Å; D728-S730 VanDerWaalsContact OD1-N 3.07Å; S730-H732 VanDerWaalsContact C-N 3.28Å; S730-H732 PolarHBondContact O-N 2.69Å; S730-Y733 PolarHBondContact O-N 2.57Å; S730-Q734 WeakPolarHBondContact O-CG 3.37Å; S730-Q734 PolarHBondContact O-N 3.16Å
731	G	83.1	Confident	84.5	Confident	8 Å²	8	62.2 Å²	62.2	8%	0.082	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-38.6	173.6	0	0	0	0	0	112.2	D728 Q734 A735	D728-G731 PolarHBondContact O-N 3.17Å; D728-G731 PolarHBondContact OD1-N 3.23Å; D728-G731 PolarHBondContact OD2-N 3.15Å; G731-Q734 PolarHBondContact O-N 2.88Å; G731-A735 WeakPolarHBondContact O-CB 3.35Å; G731-A735 PolarHBondContact O-N 3.13Å
732	H	85.9	Confident	84.3	Confident	9 Å²	9	57.5 Å²	57.5	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-49.1	175.1	-167.8	176.9	0	0	0	111.3	M720 A723 D728 S730 Q734 A735 A736 I748	M720-H732 VanDerWaalsContact CG-CD2 3.42Å; M720-H732 WeakPolarHBondContact CG-CD2 3.36Å; A723-H732 HydrophobicContact CB-CB 3.95Å; D728-H732 WeakPolarHBondContact O-CB 3.42Å; D728-H732 PolarHBondContact O-N 2.66Å; S730-H732 VanDerWaalsContact C-N 3.28Å; S730-H732 PolarHBondContact O-N 2.69Å; H732-Q734 VanDerWaalsContact C-N 3.35Å; H732-Q734 PolarHBondContact O-N 2.93Å; H732-A735 PolarHBondContact O-N 3.24Å; H732-A736 PolarHBondContact O-N 2.73Å; H732-I748 HydrophobicContact CB-CD1 4.25Å; H732-I748 VanDerWaalsContact CD2-CD1 3.49Å; H732-I748 WeakPolarHBondContact CD2-CD1 3.4Å
733	Y	87	Confident	84.4	Confident	71 Å²	71	57.3 Å²	57.3	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-39.1	178	-173.6	-95	0	0	0	112.7	M729 S730 L737 R745 I748 L749	M729-Y733 WeakPolarHBondContact O-CB 3.39Å; M729-Y733 PolarHBondContact O-N 2.78Å; M729-Y733 VanDerWaalsContact O-N 3.13Å; S730-Y733 PolarHBondContact O-N 2.57Å; Y733-L737 WeakPolarHBondContact O-CB 3.35Å; Y733-L737 PolarHBondContact O-N 2.69Å; Y733-R745 HydrophobicContact CD2-CB 4.39Å; Y733-R745 HydrophobicContact CD2-CG 4.2Å; Y733-R745 HydrophobicContact CE2-CB 3.89Å; Y733-R745 HydrophobicContact CE2-CG 3.88Å; Y733-I748 HydrophobicContact CD2-CG2 4.23Å; Y733-L749 HydrophobicContact CE2-CD1 4.04Å; Y733-L749 HydrophobicContact CE2-CD2 4.22Å; Y733-L749 HydrophobicContact CE2-CG 3.99Å
734	Q	85.2	Confident	84.4	Confident	70 Å²	70	58.2 Å²	58.2	33%	0.327	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-44	176.2	-70.5	176.3	27.6	0	0	112.2	S730 G731 H732 A736 L737 Y738	S730-Q734 WeakPolarHBondContact O-CG 3.37Å; S730-Q734 PolarHBondContact O-N 3.16Å; G731-Q734 PolarHBondContact O-N 2.88Å; H732-Q734 VanDerWaalsContact C-N 3.35Å; H732-Q734 PolarHBondContact O-N 2.93Å; Q734-A736 PolarHBondContact O-N 3.26Å; Q734-L737 WeakPolarHBondContact O-CB 3.45Å; Q734-L737 PolarHBondContact O-N 3.45Å; Q734-Y738 HydrophobicContact CB-CE2 4.41Å; Q734-Y738 WeakPolarHBondContact O-CD2 3.27Å; Q734-Y738 PolarHBondContact O-N 3.01Å
735	A	84.4	Confident	84.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-41.9	176.2	0	0	0	0	0	112	T704 M720 G731 H732 Y738 L739	T704-A735 HydrophobicContact CG2-CB 4.3Å; M720-A735 HydrophobicContact CB-CB 3.93Å; M720-A735 HydrophobicContact CG-CB 4.06Å; G731-A735 WeakPolarHBondContact O-CB 3.35Å; G731-A735 PolarHBondContact O-N 3.13Å; H732-A735 PolarHBondContact O-N 3.24Å; A735-Y738 PolarHBondContact O-N 2.71Å; A735-L739 WeakPolarHBondContact O-CG 3.12Å; A735-L739 PolarHBondContact O-N 2.96Å
736	A	85.4	Confident	84.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-41.2	174.1	0	0	0	0	0	112.1	M720 H732 Q734 L739 G740 D741 E744 R745 I748	M720-A736 HydrophobicContact SD-CB 4.21Å; H732-A736 PolarHBondContact O-N 2.73Å; Q734-A736 PolarHBondContact O-N 3.26Å; A736-L739 PolarHBondContact O-N 3.02Å; A736-G740 PolarHBondContact O-N 3.02Å; A736-D741 PolarHBondContact O-N 3.44Å; A736-E744 HydrophobicContact CB-CB 4.16Å; A736-R745 HydrophobicContact CB-CG 3.86Å; A736-I748 HydrophobicContact CB-CD1 4.22Å
737	L	85.9	Confident	84.5	Confident	66 Å²	66	47 Å²	47	35%	0.346	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-41.8	174.3	-177.4	67.1	0	0	0	112.5	Y733 Q734 G740	Y733-L737 WeakPolarHBondContact O-CB 3.35Å; Y733-L737 PolarHBondContact O-N 2.69Å; Q734-L737 WeakPolarHBondContact O-CB 3.45Å; Q734-L737 PolarHBondContact O-N 3.45Å; L737-G740 PolarHBondContact O-N 2.99Å
738	Y	84.9	Confident	84.7	Confident	58 Å²	58	38.8 Å²	38.8	23%	0.227	20%	0.201	C	C	.	.	H	α-helix	trans	-71.6	-27.6	177.4	-64.4	-23.1	0	0	0	113.6	T704 L708 Q734 A735 G740 P797	T704-Y738 HydrophobicContact CG2-CD2 3.86Å; T704-Y738 HydrophobicContact CG2-CE2 4.04Å; L708-Y738 HydrophobicContact CD2-CD1 3.69Å; L708-Y738 HydrophobicContact CD2-CD2 4.21Å; L708-Y738 HydrophobicContact CD2-CE1 3.88Å; L708-Y738 HydrophobicContact CD2-CE2 4.38Å; L708-Y738 HydrophobicContact CD2-CG 3.86Å; Q734-Y738 HydrophobicContact CB-CE2 4.41Å; Q734-Y738 WeakPolarHBondContact O-CD2 3.27Å; Q734-Y738 PolarHBondContact O-N 3.01Å; A735-Y738 PolarHBondContact O-N 2.71Å; Y738-G740 VanDerWaalsContact C-N 3.3Å; Y738-P797 WeakPolarHBondContact O-CG 3.46Å
739	L	82.5	Confident	84.8	Confident	34 Å²	34	36.9 Å²	36.9	18%	0.178	19%	0.19	C	C	.	.	H	α-helix	trans	-78.5	-14.4	170.2	-73.5	164.7	0	0	0	113	L713 L716 R717 M720 A735 A736 D741	L713-L739 HydrophobicContact CB-CD2 4.48Å; L713-L739 HydrophobicContact CD2-CD2 4.34Å; L716-L739 HydrophobicContact CB-CD2 4.21Å; L716-L739 HydrophobicContact CD2-CD2 3.75Å; L716-L739 HydrophobicContact CD2-CG 3.78Å; L716-L739 HydrophobicContact CG-CD1 4.37Å; L716-L739 HydrophobicContact CG-CD2 3.94Å; L716-L739 HydrophobicContact CG-CG 3.88Å; R717-L739 HydrophobicContact CB-CD1 4.37Å; M720-L739 HydrophobicContact CB-CD1 4.39Å; M720-L739 HydrophobicContact SD-CD1 3.67Å; A735-L739 WeakPolarHBondContact O-CG 3.12Å; A735-L739 PolarHBondContact O-N 2.96Å; A736-L739 PolarHBondContact O-N 3.02Å; L739-D741 HydrophobicContact CB-CB 4.39Å; L739-D741 PolarHBondContact O-N 2.91Å
740	G	80.9	Confident	84.8	Confident	20 Å²	20	38.9 Å²	38.9	21%	0.206	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	13.4	-170.5	0	0	0	0	0	114	A736 L737 Y738 V742	A736-G740 PolarHBondContact O-N 3.02Å; L737-G740 PolarHBondContact O-N 2.99Å; Y738-G740 VanDerWaalsContact C-N 3.3Å; G740-V742 PolarHBondContact O-N 3.27Å; G740-V742 VanDerWaalsContact O-N 3.17Å
741	D	84.8	Confident	84.8	Confident	32 Å²	32	41 Å²	41	17%	0.171	20%	0.203	C	C	.	.			trans	-72.3	108.3	-177.2	-161.4	-47.5	0	0	0	109.8	A736 L739 S743 E744 R745	A736-D741 PolarHBondContact O-N 3.44Å; L739-D741 HydrophobicContact CB-CB 4.39Å; L739-D741 PolarHBondContact O-N 2.91Å; D741-S743 PolarHBondContact OD1-N 3.4Å; D741-S743 PolarHBondContact OD1-OG 3.2Å; D741-E744 HydrophobicContact CB-CB 4.34Å; D741-E744 HydrophobicContact CB-CG 4.48Å; D741-E744 WeakPolarHBondContact OD1-CG 3.37Å; D741-E744 PolarHBondContact OD1-N 3.31Å; D741-R745 VanDerWaalsContact O-CG 3.27Å; D741-R745 WeakPolarHBondContact O-CG 3.28Å; D741-R745 PolarHBondContact O-NE 2.9Å; D741-R745 VanDerWaalsContact O-NE 3.14Å
742	V	82.9	Confident	84.8	Confident	26 Å²	26	43.6 Å²	43.6	16%	0.158	22%	0.219	C	C	.	.	H	α-helix	trans	-78	-44.9	-177.1	-169.3	0	0	0	0	111	G740 E744 R745 V746 H765 L767	G740-V742 PolarHBondContact O-N 3.27Å; G740-V742 VanDerWaalsContact O-N 3.17Å; V742-E744 PolarHBondContact O-N 3.21Å; V742-R745 WeakPolarHBondContact O-CB 3.45Å; V742-R745 PolarHBondContact O-N 3.22Å; V742-R745 VanDerWaalsContact O-N 3.16Å; V742-V746 HydrophobicContact CG1-CG2 4.49Å; V742-V746 WeakPolarHBondContact O-CG2 3.37Å; V742-V746 PolarHBondContact O-N 3.25Å; V742-H765 HydrophobicContact CG1-CB 3.74Å; V742-L767 HydrophobicContact CB-CD1 4.02Å; V742-L767 HydrophobicContact CG1-CD1 3.56Å; V742-L767 HydrophobicContact CG1-CG 4.36Å
743	S	84.8	Confident	84.5	Confident	49 Å²	49	45.7 Å²	45.7	34%	0.343	24%	0.243	S	C	.	.	H	α-helix	trans	-55.6	-47.6	179.1	25.8	0	0	0	0	112.3	D741 R745 V746 R747	D741-S743 PolarHBondContact OD1-N 3.4Å; D741-S743 PolarHBondContact OD1-OG 3.2Å; S743-R745 PolarHBondContact O-N 3.41Å; S743-V746 PolarHBondContact O-N 2.91Å; S743-R747 WeakPolarHBondContact O-CB 3.39Å; S743-R747 PolarHBondContact O-N 3.14Å
744	E	85.1	Confident	84.4	Confident	30 Å²	30	47.1 Å²	47.1	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-68.4	-35.9	178.3	-64.4	-59.3	163.4	0	0	111.9	M720 A736 D741 V742 V746 R747 I748	M720-E744 HydrophobicContact CE-CG 4.03Å; A736-E744 HydrophobicContact CB-CB 4.16Å; D741-E744 HydrophobicContact CB-CB 4.34Å; D741-E744 HydrophobicContact CB-CG 4.48Å; D741-E744 WeakPolarHBondContact OD1-CG 3.37Å; D741-E744 PolarHBondContact OD1-N 3.31Å; V742-E744 PolarHBondContact O-N 3.21Å; E744-V746 PolarHBondContact O-N 3.47Å; E744-R747 PolarHBondContact O-N 3.03Å; E744-R747 IonicContact OE1-CZ 2.68Å; E744-R747 IonicContact OE1-NH1 2.73Å; E744-R747 PolarHBondContact OE1-NH1 3.49Å; E744-R747 IonicContact OE1-NH2 2.87Å; E744-R747 PolarHBondContact OE1-NH2 2.93Å; E744-R747 IonicContact OE2-CZ 2.79Å; E744-R747 VanDerWaalsContact OE2-CZ 3.23Å; E744-R747 IonicContact OE2-NE 2.59Å; E744-R747 IonicContact OE2-NH1 3.23Å; E744-R747 PolarHBondContact OE2-NH1 3.24Å; E744-R747 IonicContact OE2-NH2 2.85Å; E744-I748 WeakPolarHBondContact O-CB 3.4Å; E744-I748 VanDerWaalsContact O-CD1 3.31Å; E744-I748 WeakPolarHBondContact O-CD1 3.36Å; E744-I748 WeakPolarHBondContact O-CG1 3.33Å; E744-I748 PolarHBondContact O-N 3.12Å
745	R	85.8	Confident	84.2	Confident	17 Å²	17	46.9 Å²	46.9	6%	0.064	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-44.2	173.7	-72.1	-178.5	-59.2	147.4	13	111.9	Y733 A736 D741 V742 S743 I748 L749 H765	Y733-R745 HydrophobicContact CD2-CB 4.39Å; Y733-R745 HydrophobicContact CD2-CG 4.2Å; Y733-R745 HydrophobicContact CE2-CB 3.89Å; Y733-R745 HydrophobicContact CE2-CG 3.88Å; A736-R745 HydrophobicContact CB-CG 3.86Å; D741-R745 VanDerWaalsContact O-CG 3.27Å; D741-R745 WeakPolarHBondContact O-CG 3.28Å; D741-R745 PolarHBondContact O-NE 2.9Å; D741-R745 VanDerWaalsContact O-NE 3.14Å; V742-R745 WeakPolarHBondContact O-CB 3.45Å; V742-R745 PolarHBondContact O-N 3.22Å; V742-R745 VanDerWaalsContact O-N 3.16Å; S743-R745 PolarHBondContact O-N 3.41Å; R745-I748 PolarHBondContact O-N 3.1Å; R745-L749 WeakPolarHBondContact O-CB 3.33Å; R745-L749 VanDerWaalsContact O-CG 3.27Å; R745-L749 WeakPolarHBondContact O-CG 3.3Å; R745-L749 PolarHBondContact O-N 2.84Å; R745-H765 PolarHBondContact NH2-CD2 3.29Å; R745-H765 PolarHBondContact NH2-NE2 2.81Å
746	V	85	Confident	84.2	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-44.4	176.1	176.2	0	0	0	0	110.6	V742 S743 E744 I748 L749 K750 A758 T761 A762 L767 E770 L774	V742-V746 HydrophobicContact CG1-CG2 4.49Å; V742-V746 WeakPolarHBondContact O-CG2 3.37Å; V742-V746 PolarHBondContact O-N 3.25Å; S743-V746 PolarHBondContact O-N 2.91Å; E744-V746 PolarHBondContact O-N 3.47Å; V746-I748 PolarHBondContact O-N 3.16Å; V746-L749 PolarHBondContact O-N 2.89Å; V746-K750 WeakPolarHBondContact O-CB 3.48Å; V746-K750 PolarHBondContact O-N 3.33Å; V746-A758 HydrophobicContact CG1-CB 4.36Å; V746-T761 HydrophobicContact CG2-CG2 3.98Å; V746-A762 HydrophobicContact CG1-CB 4.44Å; V746-A762 HydrophobicContact CG2-CB 4.08Å; V746-L767 HydrophobicContact CG2-CD1 4.32Å; V746-E770 WeakPolarHBondContact CG1-OE2 3.45Å; V746-L774 HydrophobicContact CG1-CD1 3.82Å
747	R	86.4	Confident	84.1	Confident	110 Å²	110	53.3 Å²	53.3	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-45.3	176.5	-168.9	-175.1	-60.9	153.7	12.4	112.6	S743 E744 K750 N751	S743-R747 WeakPolarHBondContact O-CB 3.39Å; S743-R747 PolarHBondContact O-N 3.14Å; E744-R747 PolarHBondContact O-N 3.03Å; E744-R747 IonicContact OE1-CZ 2.68Å; E744-R747 IonicContact OE1-NH1 2.73Å; E744-R747 PolarHBondContact OE1-NH1 3.49Å; E744-R747 IonicContact OE1-NH2 2.87Å; E744-R747 PolarHBondContact OE1-NH2 2.93Å; E744-R747 IonicContact OE2-CZ 2.79Å; E744-R747 VanDerWaalsContact OE2-CZ 3.23Å; E744-R747 IonicContact OE2-NE 2.59Å; E744-R747 IonicContact OE2-NH1 3.23Å; E744-R747 PolarHBondContact OE2-NH1 3.24Å; E744-R747 IonicContact OE2-NH2 2.85Å; R747-K750 PolarHBondContact O-N 3.39Å; R747-N751 WeakPolarHBondContact O-CB 3.3Å; R747-N751 PolarHBondContact O-N 3.22Å
748	I	86.9	Confident	83.9	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-46.7	177.5	-66.7	159.7	0	0	0	110.4	M729 H732 Y733 A736 E744 R745 V746 K750 N751 C752	M729-I748 HydrophobicContact CE-CG2 4.21Å; H732-I748 HydrophobicContact CB-CD1 4.25Å; H732-I748 VanDerWaalsContact CD2-CD1 3.49Å; H732-I748 WeakPolarHBondContact CD2-CD1 3.4Å; Y733-I748 HydrophobicContact CD2-CG2 4.23Å; A736-I748 HydrophobicContact CB-CD1 4.22Å; E744-I748 WeakPolarHBondContact O-CB 3.4Å; E744-I748 VanDerWaalsContact O-CD1 3.31Å; E744-I748 WeakPolarHBondContact O-CD1 3.36Å; E744-I748 WeakPolarHBondContact O-CG1 3.33Å; E744-I748 PolarHBondContact O-N 3.12Å; R745-I748 PolarHBondContact O-N 3.1Å; V746-I748 PolarHBondContact O-N 3.16Å; I748-K750 VanDerWaalsContact C-N 3.35Å; I748-K750 PolarHBondContact O-N 3.24Å; I748-N751 PolarHBondContact O-N 2.84Å; I748-C752 WeakPolarHBondContact O-CB 3.35Å; I748-C752 PolarHBondContact O-N 3.34Å; I748-C752 PolarHBondContact O-SG 3.45Å; I748-C752 VanDerWaalsContact O-SG 3.37Å
749	L	85.4	Confident	83.9	Confident	22 Å²	22	48.8 Å²	48.8	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-39.7	178.2	-70.6	169.4	0	0	0	112.1	Y733 R745 V746 C752 G753 Q754 L757 A758	Y733-L749 HydrophobicContact CE2-CD1 4.04Å; Y733-L749 HydrophobicContact CE2-CD2 4.22Å; Y733-L749 HydrophobicContact CE2-CG 3.99Å; R745-L749 WeakPolarHBondContact O-CB 3.33Å; R745-L749 VanDerWaalsContact O-CG 3.27Å; R745-L749 WeakPolarHBondContact O-CG 3.3Å; R745-L749 PolarHBondContact O-N 2.84Å; V746-L749 PolarHBondContact O-N 2.89Å; L749-C752 PolarHBondContact O-N 3.27Å; L749-G753 PolarHBondContact O-N 2.87Å; L749-Q754 HydrophobicContact CD2-CB 4.31Å; L749-Q754 PolarHBondContact O-N 2.96Å; L749-L757 HydrophobicContact CD1-CB 4.24Å; L749-L757 HydrophobicContact CD2-CB 4.25Å; L749-A758 HydrophobicContact CB-CB 3.81Å
750	K	84	Confident	83.9	Confident	114 Å²	114	49.3 Å²	49.3	50%	0.496	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-47	173.3	-173.9	177.1	-174.7	170.6	0	111.6	V746 R747 I748 C752 G753 L774	V746-K750 WeakPolarHBondContact O-CB 3.48Å; V746-K750 PolarHBondContact O-N 3.33Å; R747-K750 PolarHBondContact O-N 3.39Å; I748-K750 VanDerWaalsContact C-N 3.35Å; I748-K750 PolarHBondContact O-N 3.24Å; K750-C752 VanDerWaalsContact C-N 3.29Å; K750-C752 PolarHBondContact O-N 3.18Å; K750-G753 PolarHBondContact O-N 3.27Å; K750-L774 HydrophobicContact CD-CD2 4.06Å; K750-L774 HydrophobicContact CG-CD2 4.17Å
751	N	83.9	Confident	83.9	Confident	116 Å²	116	49.3 Å²	49.3	62%	0.62	27%	0.265	S	S	*	.	H	α-helix	trans	-64.9	-31.3	177.5	-71	-8.5	0	0	0	112.7	M729 R747 I748 G753	M729-N751 HydrophobicContact CE-CB 4.13Å; R747-N751 WeakPolarHBondContact O-CB 3.3Å; R747-N751 PolarHBondContact O-N 3.22Å; I748-N751 PolarHBondContact O-N 2.84Å; N751-G753 PolarHBondContact O-N 3.46Å
752	C	82.9	Confident	83.8	Confident	62 Å²	62	47.8 Å²	47.8	42%	0.419	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	1.7	171.9	-71.9	0	0	0	0	114.2	M729 I748 L749 K750 Q754	M729-C752 WeakPolarHBondContact CE-SG 3.41Å; I748-C752 WeakPolarHBondContact O-CB 3.35Å; I748-C752 PolarHBondContact O-N 3.34Å; I748-C752 PolarHBondContact O-SG 3.45Å; I748-C752 VanDerWaalsContact O-SG 3.37Å; L749-C752 PolarHBondContact O-N 3.27Å; K750-C752 VanDerWaalsContact C-N 3.29Å; K750-C752 PolarHBondContact O-N 3.18Å; C752-Q754 HydrophobicContact CB-CG 4.33Å; C752-Q754 PolarHBondContact O-N 2.81Å
753	G	81.5	Confident	83.7	Confident	54 Å²	54	47.8 Å²	47.8	56%	0.557	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	6.6	-177	0	0	0	0	0	114.9	L749 K750 N751 K755	L749-G753 PolarHBondContact O-N 2.87Å; K750-G753 PolarHBondContact O-N 3.27Å; N751-G753 PolarHBondContact O-N 3.46Å; G753-K755 PolarHBondContact O-N 2.84Å
754	Q	83.4	Confident	83.5	Confident	101 Å²	101	47.6 Å²	47.6	47%	0.472	26%	0.256	S	S	.	.			trans	-84.6	59.9	-176.6	-68.6	-66	-28.3	0	0	111.5	L749 C752 S756 L757 A758	L749-Q754 HydrophobicContact CD2-CB 4.31Å; L749-Q754 PolarHBondContact O-N 2.96Å; C752-Q754 HydrophobicContact CB-CG 4.33Å; C752-Q754 PolarHBondContact O-N 2.81Å; Q754-S756 VanDerWaalsContact C-N 3.32Å; Q754-S756 PolarHBondContact O-N 3.27Å; Q754-L757 HydrophobicContact CB-CB 4.36Å; Q754-L757 HydrophobicContact CB-CD1 4.39Å; Q754-L757 PolarHBondContact O-N 3.44Å; Q754-L757 VanDerWaalsContact O-N 3.14Å; Q754-A758 PolarHBondContact O-N 3.33Å
755	K	82.1	Confident	83	Confident	65 Å²	65	48.6 Å²	48.6	28%	0.283	26%	0.261	S	S	.	.	H	α-helix	trans	-52.5	-45.5	-174.8	-58.3	-174.9	-160.8	161.8	0	113.1	G753 L757 A758 Y759 T777 F778 E783	G753-K755 PolarHBondContact O-N 2.84Å; K755-L757 VanDerWaalsContact C-N 3.32Å; K755-L757 PolarHBondContact O-N 3.49Å; K755-A758 PolarHBondContact O-N 3.09Å; K755-Y759 WeakPolarHBondContact O-CB 3.28Å; K755-Y759 PolarHBondContact O-N 3.47Å; K755-T777 PolarHBondContact NZ-O 3.4Å; K755-F778 HydrophobicContact CB-CE1 3.97Å; K755-F778 HydrophobicContact CB-CE2 4.33Å; K755-F778 HydrophobicContact CB-CZ 3.74Å; K755-E783 IonicContact NZ-OE1 3.21Å; K755-E783 IonicContact NZ-OE2 3.57Å; K755-E783 PolarHBondContact NZ-OE2 3.13Å
756	S	83.4	Confident	82.6	Confident	50 Å²	50	50.2 Å²	50.2	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-60.6	-39.5	-178.6	-48.8	0	0	0	0	112.7	Q754 L760	Q754-S756 VanDerWaalsContact C-N 3.32Å; Q754-S756 PolarHBondContact O-N 3.27Å; S756-L760 WeakPolarHBondContact O-CB 3.37Å; S756-L760 WeakPolarHBondContact O-CG 3.11Å; S756-L760 PolarHBondContact O-N 3.48Å; S756-L760 VanDerWaalsContact O-N 3.08Å
757	L	83.1	Confident	82.4	Confident	85 Å²	85	52.7 Å²	52.7	45%	0.445	30%	0.296	S	S	.	.	H	α-helix	trans	-76.9	-36.7	176.7	-67.3	174.8	0	0	0	111.9	L749 Q754 K755 T761	L749-L757 HydrophobicContact CD1-CB 4.24Å; L749-L757 HydrophobicContact CD2-CB 4.25Å; Q754-L757 HydrophobicContact CB-CB 4.36Å; Q754-L757 HydrophobicContact CB-CD1 4.39Å; Q754-L757 PolarHBondContact O-N 3.44Å; Q754-L757 VanDerWaalsContact O-N 3.14Å; K755-L757 VanDerWaalsContact C-N 3.32Å; K755-L757 PolarHBondContact O-N 3.49Å; L757-T761 VanDerWaalsContact O-CB 3.26Å; L757-T761 WeakPolarHBondContact O-CB 3.43Å; L757-T761 PolarHBondContact O-N 3.08Å; L757-T761 PolarHBondContact O-OG1 3.19Å
758	A	82.7	Confident	81.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-47.3	173.7	0	0	0	0	0	111	V746 L749 Q754 K755 T761 A762 L774	V746-A758 HydrophobicContact CG1-CB 4.36Å; L749-A758 HydrophobicContact CB-CB 3.81Å; Q754-A758 PolarHBondContact O-N 3.33Å; K755-A758 PolarHBondContact O-N 3.09Å; A758-T761 PolarHBondContact O-N 2.6Å; A758-A762 WeakPolarHBondContact O-CB 3.39Å; A758-A762 PolarHBondContact O-N 3.42Å; A758-L774 HydrophobicContact CB-CD1 3.75Å; A758-L774 HydrophobicContact CB-CD2 4.31Å
759	Y	83.6	Confident	81.6	Confident	29 Å²	29	60.7 Å²	60.7	11%	0.114	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-49.8	176.6	173.1	-98.2	0	0	0	111.9	K755 T761 A762 A763 A771 L774 K775 F778 V785	K755-Y759 WeakPolarHBondContact O-CB 3.28Å; K755-Y759 PolarHBondContact O-N 3.47Å; Y759-T761 VanDerWaalsContact C-N 3.29Å; Y759-T761 PolarHBondContact O-N 2.92Å; Y759-A762 PolarHBondContact O-N 3.06Å; Y759-A763 WeakPolarHBondContact O-CB 3.08Å; Y759-A763 PolarHBondContact O-N 3.09Å; Y759-A771 HydrophobicContact CD2-CB 4.36Å; Y759-A771 WeakPolarHBondContact CD2-O 3.5Å; Y759-A771 HydrophobicContact CE2-CB 4.31Å; Y759-A771 WeakPolarHBondContact CE2-O 3.49Å; Y759-L774 HydrophobicContact CD2-CB 4.47Å; Y759-K775 HydrophobicContact CD2-CB 4.24Å; Y759-K775 HydrophobicContact CE2-CB 3.89Å; Y759-K775 HydrophobicContact CE2-CD 4.27Å; Y759-K775 HydrophobicContact CE2-CG 4.24Å; Y759-F778 HydrophobicContact CG-CE2 4.3Å; Y759-V785 HydrophobicContact CD1-CG1 4.06Å; Y759-V785 HydrophobicContact CE1-CG1 3.38Å; Y759-V785 HydrophobicContact CE2-CG1 4.38Å
760	L	82.8	Confident	81.3	Confident	46 Å²	46	63.1 Å²	63.1	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-59	-40.5	175.9	-81.1	172.5	0	0	0	112	S756 T764 P786 V788	S756-L760 WeakPolarHBondContact O-CB 3.37Å; S756-L760 WeakPolarHBondContact O-CG 3.11Å; S756-L760 PolarHBondContact O-N 3.48Å; S756-L760 VanDerWaalsContact O-N 3.08Å; L760-T764 WeakPolarHBondContact O-CB 3.37Å; L760-T764 PolarHBondContact O-N 3.3Å; L760-T764 PolarHBondContact O-OG1 2.71Å; L760-P786 HydrophobicContact CD1-CB 3.76Å; L760-P786 HydrophobicContact CD1-CG 4.1Å; L760-P786 HydrophobicContact CD2-CB 3.84Å; L760-P786 HydrophobicContact CG-CB 3.79Å; L760-P786 HydrophobicContact CG-CG 4.16Å; L760-V788 HydrophobicContact CD2-CG2 4.17Å
761	T	82.1	Confident	81	Confident	19 Å²	19	58 Å²	58	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-67.6	-41.3	179	-56.1	0	0	0	0	111.5	V746 L757 A758 Y759 H765	V746-T761 HydrophobicContact CG2-CG2 3.98Å; L757-T761 VanDerWaalsContact O-CB 3.26Å; L757-T761 WeakPolarHBondContact O-CB 3.43Å; L757-T761 PolarHBondContact O-N 3.08Å; L757-T761 PolarHBondContact O-OG1 3.19Å; A758-T761 PolarHBondContact O-N 2.6Å; Y759-T761 VanDerWaalsContact C-N 3.29Å; Y759-T761 PolarHBondContact O-N 2.92Å; T761-H765 VanDerWaalsContact O-CB 3.29Å; T761-H765 WeakPolarHBondContact O-CB 3.45Å; T761-H765 PolarHBondContact O-CD2 2.73Å; T761-H765 PolarHBondContact O-N 3.05Å
762	A	82.4	Confident	80.8	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-50.9	176.2	0	0	0	0	0	111.7	V746 A758 Y759 T764 H765 G766 L767 E770 A771	V746-A762 HydrophobicContact CG1-CB 4.44Å; V746-A762 HydrophobicContact CG2-CB 4.08Å; A758-A762 WeakPolarHBondContact O-CB 3.39Å; A758-A762 PolarHBondContact O-N 3.42Å; Y759-A762 PolarHBondContact O-N 3.06Å; A762-T764 PolarHBondContact O-N 3.49Å; A762-H765 CarbonylContact O-C 3.54Å; A762-H765 PolarHBondContact O-N 2.86Å; A762-H765 VanDerWaalsContact O-N 3.14Å; A762-G766 PolarHBondContact O-N 3.47Å; A762-G766 VanDerWaalsContact O-N 3.11Å; A762-L767 HydrophobicContact CB-CB 4.12Å; A762-L767 PolarHBondContact O-N 2.92Å; A762-E770 HydrophobicContact CB-CB 4.42Å; A762-A771 HydrophobicContact CB-CB 3.9Å
763	A	80.3	Confident	80.7	Confident	27 Å²	27	58.1 Å²	58.1	22%	0.223	33%	0.33	C	S	.	.	H	α-helix	trans	-67.7	-35.7	-177.3	0	0	0	0	0	113.5	Y759 H765 A771 V788	Y759-A763 WeakPolarHBondContact O-CB 3.08Å; Y759-A763 PolarHBondContact O-N 3.09Å; A763-H765 PolarHBondContact O-N 3.43Å; A763-A771 HydrophobicContact CB-CB 4.24Å; A763-V788 HydrophobicContact CB-CG2 3.88Å
764	T	80.6	Confident	80.5	Confident	44 Å²	44	55.7 Å²	55.7	27%	0.27	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.8	175.6	-53.5	0	0	0	0	112.6	L760 A762 A792	L760-T764 WeakPolarHBondContact O-CB 3.37Å; L760-T764 PolarHBondContact O-N 3.3Å; L760-T764 PolarHBondContact O-OG1 2.71Å; A762-T764 PolarHBondContact O-N 3.49Å; T764-A792 HydrophobicContact CG2-CB 3.52Å
765	H	75.5	Confident	80.2	Confident	51 Å²	51	56 Å²	56	24%	0.236	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	9	-174.1	-61.2	-26.3	0	0	0	113.8	V742 R745 T761 A762 A763 L794	V742-H765 HydrophobicContact CG1-CB 3.74Å; R745-H765 PolarHBondContact NH2-CD2 3.29Å; R745-H765 PolarHBondContact NH2-NE2 2.81Å; T761-H765 VanDerWaalsContact O-CB 3.29Å; T761-H765 WeakPolarHBondContact O-CB 3.45Å; T761-H765 PolarHBondContact O-CD2 2.73Å; T761-H765 PolarHBondContact O-N 3.05Å; A762-H765 CarbonylContact O-C 3.54Å; A762-H765 PolarHBondContact O-N 2.86Å; A762-H765 VanDerWaalsContact O-N 3.14Å; A763-H765 PolarHBondContact O-N 3.43Å; H765-L794 WeakPolarHBondContact CE1-CD1 3.39Å
766	G	75.9	Confident	79.9	Confident	51 Å²	51	61.2 Å²	61.2	53%	0.526	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	25.2	174.2	0	0	0	0	0	115.1	A762 D768	A762-G766 PolarHBondContact O-N 3.47Å; A762-G766 VanDerWaalsContact O-N 3.11Å; G766-D768 VanDerWaalsContact C-N 3.3Å; G766-D768 PolarHBondContact O-N 3.09Å
767	L	81.3	Confident	79.5	Confident	55 Å²	55	62.2 Å²	62.2	29%	0.288	33%	0.333	S	S	.	.			trans	-91.2	67.1	170.8	-66.5	178.5	0	0	0	109.7	V742 V746 A762 E769 E770 A771	V742-L767 HydrophobicContact CB-CD1 4.02Å; V742-L767 HydrophobicContact CG1-CD1 3.56Å; V742-L767 HydrophobicContact CG1-CG 4.36Å; V746-L767 HydrophobicContact CG2-CD1 4.32Å; A762-L767 HydrophobicContact CB-CB 4.12Å; A762-L767 PolarHBondContact O-N 2.92Å; L767-E769 VanDerWaalsContact C-N 3.35Å; L767-E769 PolarHBondContact O-N 3.26Å; L767-E770 HydrophobicContact CB-CB 4.36Å; L767-E770 PolarHBondContact O-N 3.13Å; L767-A771 WeakPolarHBondContact O-CB 3.36Å; L767-A771 PolarHBondContact O-N 3.3Å
768	D	77.1	Confident	79.2	Confident	110 Å²	110	58.9 Å²	58.9	59%	0.588	32%	0.315	S	S	*	.	H	α-helix	trans	-60.9	-40.3	-168.9	-61.7	-30	0	0	0	112.7	G766 A771 E772	G766-D768 VanDerWaalsContact C-N 3.3Å; G766-D768 PolarHBondContact O-N 3.09Å; D768-A771 PolarHBondContact O-N 3.41Å; D768-E772 PolarHBondContact O-N 2.8Å
769	E	80.3	Confident	78.7	Confident	173 Å²	173	61.4 Å²	61.4	81%	0.808	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-43.6	177.4	-62.2	-177.9	173.9	0	0	112.6	L767 A773	L767-E769 VanDerWaalsContact C-N 3.35Å; L767-E769 PolarHBondContact O-N 3.26Å; E769-A773 WeakPolarHBondContact O-CB 3.42Å; E769-A773 PolarHBondContact O-N 2.96Å
770	E	78	Confident	77.7	Confident	73 Å²	73	66.1 Å²	66.1	34%	0.341	36%	0.363	S	S	.	.	H	α-helix	trans	-71.2	-33.4	176.1	-66.7	-162.4	148.1	0	0	111.5	V746 A762 L767 L774	V746-E770 WeakPolarHBondContact CG1-OE2 3.45Å; A762-E770 HydrophobicContact CB-CB 4.42Å; L767-E770 HydrophobicContact CB-CB 4.36Å; L767-E770 PolarHBondContact O-N 3.13Å; E770-L774 WeakPolarHBondContact O-CB 3.27Å; E770-L774 WeakPolarHBondContact O-CD1 3.41Å; E770-L774 WeakPolarHBondContact O-CG 3.29Å; E770-L774 PolarHBondContact O-N 2.9Å
771	A	77.8	Confident	76.7	Confident	7 Å²	7	72.3 Å²	72.3	6%	0.058	39%	0.391	C	S	.	.	H	α-helix	trans	-67	-44	176.2	0	0	0	0	0	111.8	Y759 A762 A763 L767 D768 L774 K775	Y759-A771 HydrophobicContact CD2-CB 4.36Å; Y759-A771 WeakPolarHBondContact CD2-O 3.5Å; Y759-A771 HydrophobicContact CE2-CB 4.31Å; Y759-A771 WeakPolarHBondContact CE2-O 3.49Å; A762-A771 HydrophobicContact CB-CB 3.9Å; A763-A771 HydrophobicContact CB-CB 4.24Å; L767-A771 WeakPolarHBondContact O-CB 3.36Å; L767-A771 PolarHBondContact O-N 3.3Å; D768-A771 PolarHBondContact O-N 3.41Å; A771-L774 PolarHBondContact O-N 3.49Å; A771-K775 VanDerWaalsContact O-CB 3.3Å; A771-K775 WeakPolarHBondContact O-CB 3.49Å; A771-K775 PolarHBondContact O-N 2.95Å
772	E	79.8	Confident	75.6	Confident	132 Å²	132	79.2 Å²	79.2	62%	0.617	42%	0.419	S	S	*	.	H	α-helix	trans	-64.9	-46.8	174.4	-72.3	-163.7	142.6	0	0	111.7	D768 L774 K775 E776	D768-E772 PolarHBondContact O-N 2.8Å; E772-L774 PolarHBondContact O-N 3.46Å; E772-K775 WeakPolarHBondContact O-CA 3.49Å; E772-K775 VanDerWaalsContact O-CB 3.32Å; E772-K775 WeakPolarHBondContact O-CB 3.34Å; E772-K775 PolarHBondContact O-N 2.79Å; E772-E776 PolarHBondContact O-N 2.79Å
773	A	81.3	Confident	74.7	Confident	48 Å²	48	82.9 Å²	82.9	40%	0.397	44%	0.436	S	S	.	.	H	α-helix	trans	-60.9	-32.2	176.6	0	0	0	0	0	113	E769	E769-A773 WeakPolarHBondContact O-CB 3.42Å; E769-A773 PolarHBondContact O-N 2.96Å
774	L	77.8	Confident	74.1	Confident	4 Å²	4	87.9 Å²	87.9	2%	0.021	46%	0.464	C	S	.	.	H	α-helix	trans	-73.3	-40.9	171.7	-76	167.2	0	0	0	111.7	V746 K750 A758 Y759 E770 A771 E772 E776 T777 F778	V746-L774 HydrophobicContact CG1-CD1 3.82Å; K750-L774 HydrophobicContact CD-CD2 4.06Å; K750-L774 HydrophobicContact CG-CD2 4.17Å; A758-L774 HydrophobicContact CB-CD1 3.75Å; A758-L774 HydrophobicContact CB-CD2 4.31Å; Y759-L774 HydrophobicContact CD2-CB 4.47Å; E770-L774 WeakPolarHBondContact O-CB 3.27Å; E770-L774 WeakPolarHBondContact O-CD1 3.41Å; E770-L774 WeakPolarHBondContact O-CG 3.29Å; E770-L774 PolarHBondContact O-N 2.9Å; A771-L774 PolarHBondContact O-N 3.49Å; E772-L774 PolarHBondContact O-N 3.46Å; L774-E776 VanDerWaalsContact C-N 3.32Å; L774-E776 PolarHBondContact O-N 2.96Å; L774-T777 PolarHBondContact O-N 2.79Å; L774-T777 PolarHBondContact O-OG1 2.85Å; L774-F778 WeakPolarHBondContact O-CD2 3.47Å; L774-F778 WeakPolarHBondContact O-CE2 3.47Å
775	K	76	Confident	73.8	Confident	107 Å²	107	88.7 Å²	88.7	47%	0.465	47%	0.469	S	S	.	.	H	α-helix	trans	-58.6	-39.5	178.6	-169.6	178.9	176.8	-176	0	112.5	Y759 A771 E772 T777 F778 V785	Y759-K775 HydrophobicContact CD2-CB 4.24Å; Y759-K775 HydrophobicContact CE2-CB 3.89Å; Y759-K775 HydrophobicContact CE2-CD 4.27Å; Y759-K775 HydrophobicContact CE2-CG 4.24Å; A771-K775 VanDerWaalsContact O-CB 3.3Å; A771-K775 WeakPolarHBondContact O-CB 3.49Å; A771-K775 PolarHBondContact O-N 2.95Å; E772-K775 WeakPolarHBondContact O-CA 3.49Å; E772-K775 VanDerWaalsContact O-CB 3.32Å; E772-K775 WeakPolarHBondContact O-CB 3.34Å; E772-K775 PolarHBondContact O-N 2.79Å; K775-T777 PolarHBondContact O-N 2.76Å; K775-F778 PolarHBondContact O-N 3.01Å; K775-V785 HydrophobicContact CG-CG2 4.5Å
776	E	77.2	Confident	73.8	Confident	174 Å²	174	87.9 Å²	87.9	81%	0.813	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.6	174.8	-67.9	-170.2	157.7	0	0	113.8	E772 L774	E772-E776 PolarHBondContact O-N 2.79Å; L774-E776 VanDerWaalsContact C-N 3.32Å; L774-E776 PolarHBondContact O-N 2.96Å
777	T	74.4	Confident	73.7	Confident	71 Å²	71	94.5 Å²	94.5	44%	0.436	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	4.7	179.2	63.8	0	0	0	0	115	K755 L774 K775	K755-T777 PolarHBondContact NZ-O 3.4Å; L774-T777 PolarHBondContact O-N 2.79Å; L774-T777 PolarHBondContact O-OG1 2.85Å; K775-T777 PolarHBondContact O-N 2.76Å
778	F	77.5	Confident	73.5	Confident	15 Å²	15	94.7 Å²	94.7	7%	0.066	49%	0.489	C	S	.	.	S	Bend	trans	-83.6	137	170.6	-71.9	-94.9	0	0	0	111	K755 Y759 L774 K775 P780 E783 V785	K755-F778 HydrophobicContact CB-CE1 3.97Å; K755-F778 HydrophobicContact CB-CE2 4.33Å; K755-F778 HydrophobicContact CB-CZ 3.74Å; Y759-F778 HydrophobicContact CG-CE2 4.3Å; L774-F778 WeakPolarHBondContact O-CD2 3.47Å; L774-F778 WeakPolarHBondContact O-CE2 3.47Å; K775-F778 PolarHBondContact O-N 3.01Å; F778-P780 VanDerWaalsContact O-CD 3.31Å; F778-P780 WeakPolarHBondContact O-CD 3.34Å; F778-E783 HydrophobicContact CB-CB 4.49Å; F778-E783 HydrophobicContact CD1-CB 3.81Å; F778-V785 HydrophobicContact CG-CG2 4.41Å
779	D	71.8	Confident	73.4	Confident	54 Å²	54	94.1 Å²	94.1	29%	0.289	49%	0.486	S	S	.	.			trans	-78.5	112.4	174	179.1	-4.8	0	0	0	109.6	E781 K782 E783	D779-E781 PolarHBondContact O-N 3.03Å; D779-E781 VanDerWaalsContact O-N 3.08Å; D779-E781 PolarHBondContact OD1-N 3.32Å; D779-E781 VanDerWaalsContact OD1-N 3.12Å; D779-K782 HydrophobicContact CB-CB 4.38Å; D779-K782 PolarHBondContact O-N 3.29Å; D779-K782 IonicContact OD2-NZ 3.35Å; D779-K782 PolarHBondContact OD2-NZ 2.95Å; D779-E783 PolarHBondContact O-N 3.38Å
780	P	63.1	Low	72.9	Confident	127 Å²	127	92 Å²	92	83%	0.825	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20	-175.2	-22.1	34.2	0	0	0	114.3	F778	F778-P780 VanDerWaalsContact O-CD 3.31Å; F778-P780 WeakPolarHBondContact O-CD 3.34Å
781	E	59.7	Low	72.6	Confident	177 Å²	177	95 Å²	95	83%	0.827	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-11.7	178.6	-64	-167.4	157.6	0	0	113.5	D779	D779-E781 PolarHBondContact O-N 3.03Å; D779-E781 VanDerWaalsContact O-N 3.08Å; D779-E781 PolarHBondContact OD1-N 3.32Å; D779-E781 VanDerWaalsContact OD1-N 3.12Å
782	K	60.8	Low	72.2	Confident	163 Å²	163	97 Å²	97	71%	0.709	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	-28	-173.7	-61.7	-163.9	-162	75.6	0	116.2	D779	D779-K782 HydrophobicContact CB-CB 4.38Å; D779-K782 PolarHBondContact O-N 3.29Å; D779-K782 IonicContact OD2-NZ 3.35Å; D779-K782 PolarHBondContact OD2-NZ 2.95Å
783	E	63.6	Low	71.5	Confident	78 Å²	78	98.9 Å²	98.9	36%	0.364	53%	0.531	S	S	.	.			trans	-121.8	121.7	-171.8	-57.2	-176.3	143	0	0	110.9	K755 F778 D779	K755-E783 IonicContact NZ-OE1 3.21Å; K755-E783 IonicContact NZ-OE2 3.57Å; K755-E783 PolarHBondContact NZ-OE2 3.13Å; F778-E783 HydrophobicContact CB-CB 4.49Å; F778-E783 HydrophobicContact CD1-CB 3.81Å; D779-E783 PolarHBondContact O-N 3.38Å
784	T	67.9	Low	70.8	Confident	132 Å²	132	100.2 Å²	100.2	81%	0.81	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-86.2	128.3	174.5	49	0	0	0	0	111.2	P786	T784-P786 WeakPolarHBondContact O-CD 3.13Å
785	V	72.3	Confident	70.2	Confident	60 Å²	60	107.4 Å²	107.4	36%	0.364	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-64.2	124.6	173.5	-179.1	0	0	0	0	109.3	Y759 K775 F778	Y759-V785 HydrophobicContact CD1-CG1 4.06Å; Y759-V785 HydrophobicContact CE1-CG1 3.38Å; Y759-V785 HydrophobicContact CE2-CG1 4.38Å; K775-V785 HydrophobicContact CG-CG2 4.5Å; F778-V785 HydrophobicContact CG-CG2 4.41Å
786	P	76	Confident	69.7	Low	34 Å²	34	108.4 Å²	108.4	22%	0.221	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-67.2	144	179.4	-20.8	32.9	0	0	0	113.2	L760 T784	L760-P786 HydrophobicContact CD1-CB 3.76Å; L760-P786 HydrophobicContact CD1-CG 4.1Å; L760-P786 HydrophobicContact CD2-CB 3.84Å; L760-P786 HydrophobicContact CG-CB 3.79Å; L760-P786 HydrophobicContact CG-CG 4.16Å; T784-P786 WeakPolarHBondContact O-CD 3.13Å
787	E	74.6	Confident	69.3	Low	190 Å²	190	102.2 Å²	102.2	89%	0.888	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-73.9	141.9	170.6	-64.7	-176.1	166.5	0	0	111.1
788	V	75.9	Confident	69.1	Low	59 Å²	59	104.2 Å²	104.2	36%	0.358	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-95	129.3	179.1	-177.9	0	0	0	0	109.3	L760 A763 P790	L760-V788 HydrophobicContact CD2-CG2 4.17Å; A763-V788 HydrophobicContact CB-CG2 3.88Å; V788-P790 WeakPolarHBondContact O-CD 3.4Å
789	D	75.3	Confident	68.7	Low	98 Å²	98	108.8 Å²	108.8	52%	0.524	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-73.1	120.3	177.9	-174.9	-17.8	0	0	0	110.9	N791 A792	D789-N791 PolarHBondContact O-N 3.43Å; D789-N791 VanDerWaalsContact O-N 3.12Å; D789-N791 PolarHBondContact OD1-N 2.94Å; D789-A792 HydrophobicContact CB-CB 4.41Å; D789-A792 WeakPolarHBondContact O-CB 3.35Å; D789-A792 PolarHBondContact O-N 2.96Å
790	P	69.9	Low	68.6	Low	128 Å²	128	109 Å²	109	83%	0.831	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-18.2	178.6	-23	34.2	0	0	0	115.2	V788	V788-P790 WeakPolarHBondContact O-CD 3.4Å
791	N	72.8	Confident	68.9	Low	136 Å²	136	111.5 Å²	111.5	73%	0.727	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	3.8	-179.5	-63.1	-59.4	0	0	0	113.6	D789 Q793	D789-N791 PolarHBondContact O-N 3.43Å; D789-N791 VanDerWaalsContact O-N 3.12Å; D789-N791 PolarHBondContact OD1-N 2.94Å; N791-Q793 PolarHBondContact O-N 2.98Å
792	A	69.3	Low	69.5	Low	49 Å²	49	109.1 Å²	109.1	41%	0.405	60%	0.597	S	S	.	*			trans	-65.2	117	-179	0	0	0	0	0	111.4	T764 D789	T764-A792 HydrophobicContact CG2-CB 3.52Å; D789-A792 HydrophobicContact CB-CB 4.41Å; D789-A792 WeakPolarHBondContact O-CB 3.35Å; D789-A792 PolarHBondContact O-N 2.96Å
793	Q	65.4	Low	69.9	Low	173 Å²	173	104 Å²	104	81%	0.808	58%	0.581	S	S	*	*			trans	-100.6	133.5	176.6	-67.2	-175.8	-3.9	0	0	110.8	N791 L795	N791-Q793 PolarHBondContact O-N 2.98Å; Q793-L795 PolarHBondContact O-N 3.32Å
794	L	66.1	Low	70.2	Confident	76 Å²	76	103.7 Å²	103.7	40%	0.398	58%	0.581	S	S	.	*			trans	-68.3	111.5	174.3	173.1	65.2	0	0	0	110.3	H765 Q796	H765-L794 WeakPolarHBondContact CE1-CD1 3.39Å; L794-Q796 HydrophobicContact CD1-CG 4.24Å; L794-Q796 HydrophobicContact CD2-CG 3.63Å; L794-Q796 HydrophobicContact CG-CG 3.69Å; L794-Q796 PolarHBondContact O-N 3.44Å
795	L	65.1	Low	70.3	Confident	155 Å²	155	102.4 Å²	102.4	81%	0.812	57%	0.569	S	S	*	*			trans	-82.2	92.8	168.1	-64	175.6	0	0	0	109.4	Q793	Q793-L795 PolarHBondContact O-N 3.32Å
796	Q	66.2	Low	70.3	Confident	127 Å²	127	104.5 Å²	104.5	59%	0.593	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-83.5	143.1	164.2	-61.2	-167.5	-38	0	0	110	L794	L794-Q796 HydrophobicContact CD1-CG 4.24Å; L794-Q796 HydrophobicContact CD2-CG 3.63Å; L794-Q796 HydrophobicContact CG-CG 3.69Å; L794-Q796 PolarHBondContact O-N 3.44Å
797	P	68.1	Low	70.2	Confident	44 Å²	44	105.2 Å²	105.2	29%	0.286	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-60.4	140.5	162.3	27.2	-31.5	0	0	0	108.9	Y738	Y738-P797 WeakPolarHBondContact O-CG 3.46Å
798	P	69.6	Low	70.2	Confident	113 Å²	113	99.9 Å²	99.9	73%	0.734	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-62.2	136.7	179.5	26.3	-34	0	0	0	109.8
799	P	69.1	Low	69.6	Low	111 Å²	111	103.1 Å²	103.1	72%	0.721	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-61.2	133.4	178.3	25	-33.4	0	0	0	109.9	I801	P799-I801 PolarHBondContact O-N 2.97Å
800	P	69.5	Low	68.9	Low	60 Å²	60	100.2 Å²	100.2	39%	0.39	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-65.1	127	179.5	26.1	-33	0	0	0	110	L713	L713-P800 HydrophobicContact CD1-CG 4.36Å; L713-P800 HydrophobicContact CD2-CG 4.41Å; L713-P800 HydrophobicContact CG-CG 4.34Å
801	I	69.6	Low	68.1	Low	178 Å²	178	99.7 Å²	99.7	91%	0.913	55%	0.552	S	S	*	*	S	Bend	trans	-72	-32.5	-176.6	-59.1	175	0	0	0	111.3	P799	P799-I801 PolarHBondContact O-N 2.97Å
802	N	71.8	Confident	67	Low	127 Å²	127	99.4 Å²	99.4	68%	0.679	56%	0.555	S	S	*	*	S	Bend	trans	-154.9	133.5	174.9	-165.5	27.8	0	0	0	108.9
803	P	69.6	Low	66	Low	57 Å²	57	101.3 Å²	101.3	37%	0.37	56%	0.561	S	S	.	*			trans	-62.5	143.5	169.3	26	-35.2	0	0	0	111.6	T710	T710-P803 WeakPolarHBondContact O-CA 3.44Å
804	L	71	Confident	64.9	Low	70 Å²	70	98.4 Å²	98.4	37%	0.366	56%	0.56	S	S	.	*			trans	-96.8	89	175.5	-80.8	158.6	0	0	0	110.1	H687 T710	H687-L804 PolarHBondContact CE1-O 3.05Å; H687-L804 PolarHBondContact NE2-O 3.19Å; T710-L804 PolarHBondContact O-N 3.17Å
805	D	68.2	Low	64.2	Low	106 Å²	106	100.2 Å²	100.2	57%	0.567	57%	0.565	S	S	*	*			trans	-86	-21.8	177.7	-63.7	-41.7	0	0	0	113.2	Q688	Q688-D805 PolarHBondContact NE2-O 3.34Å
806	T	73.8	Confident	63.7	Low	104 Å²	104	94.5 Å²	94.5	64%	0.638	54%	0.543	S	S	*	.	S	Bend	trans	-97.6	144.2	176.4	53.8	0	0	0	0	111.9	H687	H687-T806 PolarHBondContact CE1-O 3.45Å
807	N	74	Confident	63.1	Low	48 Å²	48	94 Å²	94	26%	0.257	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-51.2	149.5	175.2	-70	-53.6	0	0	0	111.3	H686 H687 Q688	H686-N807 WeakPolarHBondContact CA-OD1 3.47Å; H687-N807 PolarHBondContact N-OD1 3.45Å; H687-N807 VanDerWaalsContact N-OD1 3.16Å; Q688-N807 PolarHBondContact N-OD1 2.93Å; Q688-N807 PolarHBondContact OE1-ND2 2.88Å
808	W	73.3	Confident	62.5	Low	79 Å²	79	92.6 Å²	92.6	30%	0.299	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-62.1	138	-176.3	-64.5	-27.6	0	0	0	110.9	G685 I709 L810	G685-W808 PolarHBondContact O-N 3.44Å; I709-W808 HydrophobicContact CG2-CZ2 3.89Å; W808-L810 PolarHBondContact O-N 2.98Å
809	P	63.1	Low	61.5	Low	126 Å²	126	91.5 Å²	91.5	82%	0.818	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-62.5	120.9	-170.9	23.8	-34.1	0	0	0	111.1
810	L	61.7	Low	60.7	Low	38 Å²	38	87.9 Å²	87.9	20%	0.199	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-76.2	141.6	176.1	-59.7	-176.6	0	0	0	109.9	Q684 W808 T812 F905	Q684-L810 WeakPolarHBondContact O-CD2 3.23Å; W808-L810 PolarHBondContact O-N 2.98Å; L810-T812 PolarHBondContact O-N 3.27Å; L810-F905 HydrophobicContact CB-CB 4.22Å; L810-F905 HydrophobicContact CD1-CB 4.32Å; L810-F905 HydrophobicContact CD2-CB 3.89Å; L810-F905 HydrophobicContact CD2-CD1 4.3Å; L810-F905 HydrophobicContact CD2-CG 4.27Å; L810-F905 HydrophobicContact CG-CB 4.37Å
811	L	53.2	Low	59.9	Low	117 Å²	117	87.1 Å²	87.1	61%	0.613	50%	0.496	S	S	*	.			trans	-69.5	115.4	169.1	-85.6	153.3	0	0	0	108.6	V813 F905	L811-V813 PolarHBondContact O-N 2.83Å; L811-F905 HydrophobicContact CB-CD2 3.95Å; L811-F905 HydrophobicContact CB-CE2 3.82Å; L811-F905 HydrophobicContact CD1-CE2 3.84Å; L811-F905 HydrophobicContact CD1-CZ 4.43Å; L811-F905 HydrophobicContact CG-CE2 4.39Å
812	T	48.9	Very low	59.1	Low	130 Å²	130	81.5 Å²	81.5	80%	0.798	47%	0.467	S	S	*	.			trans	-63.2	102.4	176.6	54.9	0	0	0	0	110.5	L810	L810-T812 PolarHBondContact O-N 3.27Å
813	V	48.4	Very low	58.1	Low	88 Å²	88	78.3 Å²	78.3	53%	0.533	46%	0.458	S	S	.	.			trans	-105	143.8	171.8	-176.2	0	0	0	0	108.9	L811 K815	L811-V813 PolarHBondContact O-N 2.83Å; V813-K815 PolarHBondContact O-N 3.32Å
814	S	43.7	Very low	57	Low	112 Å²	112	79.1 Å²	79.1	78%	0.783	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-53	126.7	179.1	57.8	0	0	0	0	113.2
815	K	51.4	Low	55.9	Low	115 Å²	115	82.4 Å²	82.4	50%	0.5	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-47.1	145.9	177.1	-63.8	173.9	-172.7	169	0	112.3	V813 E901	V813-K815 PolarHBondContact O-N 3.32Å; K815-E901 IonicContact NZ-OE1 3.96Å; K815-E901 PolarHBondContact NZ-OE1 3.08Å
816	G	53.7	Low	54.5	Low	34 Å²	34	79.1 Å²	79.1	35%	0.351	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-64.2	148	172.8	0	0	0	0	0	112	F818 E819 G820	G816-F818 VanDerWaalsContact C-N 3.25Å; G816-F818 PolarHBondContact O-N 2.99Å; G816-E819 WeakPolarHBondContact O-CB 3.49Å; G816-E819 PolarHBondContact O-N 2.92Å; G816-G820 PolarHBondContact O-N 3.18Å
817	F	53.1	Low	52.7	Low	117 Å²	117	82.4 Å²	82.4	51%	0.513	48%	0.477	S	S	.	.	H	α-helix	trans	-52.9	-41.5	-177.9	175	-89.1	0	0	0	113.1	Y608 A821	Y608-F817 AromaticContact CD2-CD1 3.86Å; Y608-F817 HydrophobicContact CD2-CD1 3.86Å; Y608-F817 HydrophobicContact CD2-CE1 4.05Å; Y608-F817 HydrophobicContact CD2-CG 4.39Å; Y608-F817 HydrophobicContact CG-CD1 4.22Å; Y608-F817 HydrophobicContact CG-CE1 4.27Å; F817-A821 PolarHBondContact O-N 3.32Å
818	F	54.9	Low	50.8	Low	15 Å²	15	82.6 Å²	82.6	7%	0.066	49%	0.485	C	S	.	.	H	α-helix	trans	-66.1	-37.7	179.1	-69.6	-76	0	0	0	112.6	Y608 L612 V637 G816 A821 I822	Y608-F818 HydrophobicContact CD1-CE1 4.29Å; Y608-F818 AromaticContact CD1-CE2 3.99Å; Y608-F818 HydrophobicContact CD1-CE2 3.99Å; Y608-F818 AromaticContact CD1-CZ 3.42Å; Y608-F818 HydrophobicContact CD1-CZ 3.42Å; Y608-F818 VanDerWaalsContact CD1-CZ 3.42Å; Y608-F818 HydrophobicContact CE1-CE2 4.36Å; Y608-F818 HydrophobicContact CE1-CZ 4.17Å; Y608-F818 HydrophobicContact CG-CE1 4.27Å; Y608-F818 HydrophobicContact CG-CE2 4.26Å; Y608-F818 AromaticContact CG-CZ 3.72Å; Y608-F818 HydrophobicContact CG-CZ 3.72Å; L612-F818 HydrophobicContact CD1-CD1 3.95Å; L612-F818 HydrophobicContact CD1-CE1 4.33Å; L612-F818 HydrophobicContact CD2-CD1 3.94Å; L612-F818 HydrophobicContact CD2-CE1 4.32Å; L612-F818 HydrophobicContact CG-CD1 3.88Å; L612-F818 HydrophobicContact CG-CE1 3.97Å; V637-F818 HydrophobicContact CG2-CD1 4.37Å; V637-F818 HydrophobicContact CG2-CD2 4.18Å; V637-F818 HydrophobicContact CG2-CE1 4.19Å; V637-F818 HydrophobicContact CG2-CE2 4Å; V637-F818 HydrophobicContact CG2-CG 4.36Å; V637-F818 HydrophobicContact CG2-CZ 3.98Å; G816-F818 VanDerWaalsContact C-N 3.25Å; G816-F818 PolarHBondContact O-N 2.99Å; F818-A821 PolarHBondContact O-N 2.87Å; F818-I822 WeakPolarHBondContact O-CB 3.36Å; F818-I822 WeakPolarHBondContact O-CD1 3.44Å; F818-I822 WeakPolarHBondContact O-CG1 3.29Å; F818-I822 PolarHBondContact O-N 3.32Å
819	E	50.5	Low	49.1	Very low	90 Å²	90	83.9 Å²	83.9	42%	0.421	50%	0.502	S	S	.	.	H	α-helix	trans	-70.9	-42.6	-175.9	-166.3	174.4	-130.9	0	0	111.5	G816 A821 I822 A823	G816-E819 WeakPolarHBondContact O-CB 3.49Å; G816-E819 PolarHBondContact O-N 2.92Å; E819-A821 VanDerWaalsContact C-N 3.33Å; E819-A821 PolarHBondContact O-N 3.25Å; E819-I822 PolarHBondContact O-N 2.7Å; E819-A823 WeakPolarHBondContact O-CB 3.34Å; E819-A823 PolarHBondContact O-N 2.89Å
820	G	51.6	Low	47.5	Very low	35 Å²	35	84.9 Å²	84.9	36%	0.361	50%	0.496	S	S	.	.	H	α-helix	trans	-59.2	-41.7	172.3	0	0	0	0	0	112.9	G816 I822 A824	G816-G820 PolarHBondContact O-N 3.18Å; G820-I822 VanDerWaalsContact C-N 3.32Å; G820-I822 PolarHBondContact O-N 3.02Å; G820-A824 WeakPolarHBondContact O-CB 3.37Å; G820-A824 PolarHBondContact O-N 3.41Å; G820-A824 VanDerWaalsContact O-N 3.12Å
821	A	53.2	Low	46.1	Very low	44 Å²	44	90.3 Å²	90.3	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-71.1	-23.7	177.6	0	0	0	0	0	113.9	F817 F818 E819	F817-A821 PolarHBondContact O-N 3.32Å; F818-A821 PolarHBondContact O-N 2.87Å; E819-A821 VanDerWaalsContact C-N 3.33Å; E819-A821 PolarHBondContact O-N 3.25Å
822	I	53.1	Low	45.1	Very low	59 Å²	59	88 Å²	88	30%	0.303	52%	0.519	S	S	.	.	H	α-helix	trans	-85.5	-49.7	176.8	-70.2	164.8	0	0	0	110.3	F818 E819 G820 A824 K825 G826	F818-I822 WeakPolarHBondContact O-CB 3.36Å; F818-I822 WeakPolarHBondContact O-CD1 3.44Å; F818-I822 WeakPolarHBondContact O-CG1 3.29Å; F818-I822 PolarHBondContact O-N 3.32Å; E819-I822 PolarHBondContact O-N 2.7Å; G820-I822 VanDerWaalsContact C-N 3.32Å; G820-I822 PolarHBondContact O-N 3.02Å; I822-A824 VanDerWaalsContact C-N 3.32Å; I822-A824 PolarHBondContact O-N 3.28Å; I822-K825 PolarHBondContact O-N 3.2Å; I822-K825 VanDerWaalsContact O-N 3.09Å; I822-G826 PolarHBondContact O-N 2.87Å; I822-G826 VanDerWaalsContact O-N 3.16Å
823	A	50	Low	44.2	Very low	60 Å²	60	85.4 Å²	85.4	50%	0.496	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-38.5	179.2	0	0	0	0	0	112.5	E819 K825 G826	E819-A823 WeakPolarHBondContact O-CB 3.34Å; E819-A823 PolarHBondContact O-N 2.89Å; A823-K825 PolarHBondContact O-N 3.17Å; A823-K825 VanDerWaalsContact O-N 3.07Å; A823-G826 PolarHBondContact O-N 3.12Å; A823-G826 VanDerWaalsContact O-N 3.09Å
824	A	46.3	Very low	43.3	Very low	74 Å²	74	88 Å²	88	61%	0.612	52%	0.522	S	S	*	.	H	α-helix	trans	-59.7	-19.3	176.5	0	0	0	0	0	114.2	G820 I822	G820-A824 WeakPolarHBondContact O-CB 3.37Å; G820-A824 PolarHBondContact O-N 3.41Å; G820-A824 VanDerWaalsContact O-N 3.12Å; I822-A824 VanDerWaalsContact C-N 3.32Å; I822-A824 PolarHBondContact O-N 3.28Å
825	K	47.8	Very low	42.7	Very low	140 Å²	140	89.7 Å²	89.7	61%	0.609	52%	0.522	S	S	*	.	H	α-helix	trans	-112.3	-2	173.4	-78.5	-161.7	171	-168.5	0	115.3	I822 A823 K827 A828 V829	I822-K825 PolarHBondContact O-N 3.2Å; I822-K825 VanDerWaalsContact O-N 3.09Å; A823-K825 PolarHBondContact O-N 3.17Å; A823-K825 VanDerWaalsContact O-N 3.07Å; K825-K827 VanDerWaalsContact C-N 3.31Å; K825-A828 HydrophobicContact CB-CB 4.23Å; K825-A828 HydrophobicContact CG-CB 4.08Å; K825-A828 PolarHBondContact O-N 3.46Å; K825-A828 VanDerWaalsContact O-N 3.13Å; K825-V829 PolarHBondContact O-N 3.28Å
826	G	39	Very low	41.5	Very low	37 Å²	37	91.6 Å²	91.6	38%	0.381	54%	0.537	S	S	.	.	H	α-helix	trans	-56	-49	163.1	0	0	0	0	0	110.7	I822 A823 A828 V829 Q830	I822-G826 PolarHBondContact O-N 2.87Å; I822-G826 VanDerWaalsContact O-N 3.16Å; A823-G826 PolarHBondContact O-N 3.12Å; A823-G826 VanDerWaalsContact O-N 3.09Å; G826-A828 VanDerWaalsContact C-N 3.27Å; G826-A828 PolarHBondContact O-N 3.28Å; G826-V829 PolarHBondContact O-N 3.41Å; G826-Q830 PolarHBondContact O-N 3.39Å
827	K	36.5	Very low	40.5	Very low	173 Å²	173	98.3 Å²	98.3	75%	0.752	56%	0.562	S	S	*	*	H	α-helix	trans	-58.1	-34.6	172.5	-73.2	-170.7	172.3	-174.1	0	113.8	K825 M831	K825-K827 VanDerWaalsContact C-N 3.31Å; K827-M831 PolarHBondContact O-N 3.39Å; K827-M831 VanDerWaalsContact O-N 3.08Å
828	A	34.1	Very low	39.2	Very low	51 Å²	51	101.6 Å²	101.6	42%	0.421	58%	0.578	S	S	.	*	H	α-helix	trans	-77	-24.6	-179.8	0	0	0	0	0	113.8	K825 G826 A832	K825-A828 HydrophobicContact CB-CB 4.23Å; K825-A828 HydrophobicContact CG-CB 4.08Å; K825-A828 PolarHBondContact O-N 3.46Å; K825-A828 VanDerWaalsContact O-N 3.13Å; G826-A828 VanDerWaalsContact C-N 3.27Å; G826-A828 PolarHBondContact O-N 3.28Å; A828-A832 WeakPolarHBondContact O-CB 3.47Å
829	V	36.7	Very low	37.9	Very low	106 Å²	106	106 Å²	106	64%	0.642	62%	0.618	S	S	*	*	H	α-helix	trans	-82.5	-35	172.5	175.9	0	0	0	0	110.5	K825 G826 A832 A833	K825-V829 PolarHBondContact O-N 3.28Å; G826-V829 PolarHBondContact O-N 3.41Å; V829-A832 PolarHBondContact O-N 2.84Å; V829-A832 VanDerWaalsContact O-N 3.1Å; V829-A833 PolarHBondContact O-N 2.82Å
830	Q	30.7	Very low	36.7	Very low	148 Å²	148	106.3 Å²	106.3	69%	0.692	64%	0.636	S	S	*	*	H	α-helix	trans	-68.2	-38.1	176.6	-149.3	130.8	5.2	0	0	112	G826 A832 A833	G826-Q830 PolarHBondContact O-N 3.39Å; Q830-A832 PolarHBondContact O-N 3.04Å; Q830-A833 PolarHBondContact O-N 3.13Å
831	M	31.8	Very low	35.5	Very low	151 Å²	151	108.7 Å²	108.7	74%	0.744	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-13.6	169.5	-81.3	-178	151.7	0	0	114.7	K827	K827-M831 PolarHBondContact O-N 3.39Å; K827-M831 VanDerWaalsContact O-N 3.08Å
832	A	31.8	Very low	34.1	Very low	68 Å²	68	110.6 Å²	110.6	56%	0.562	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-5.9	177.2	0	0	0	0	0	113.3	A828 V829 Q830	A828-A832 WeakPolarHBondContact O-CB 3.47Å; V829-A832 PolarHBondContact O-N 2.84Å; V829-A832 VanDerWaalsContact O-N 3.1Å; Q830-A832 PolarHBondContact O-N 3.04Å
833	A	30.6	Very low	32.7	Very low	76 Å²	76	117.5 Å²	117.5	63%	0.628	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-22.7	178.5	0	0	0	0	0	113.3	V829 Q830	V829-A833 PolarHBondContact O-N 2.82Å; Q830-A833 PolarHBondContact O-N 3.13Å
834	D	29.5	Very low	31.5	Very low	142 Å²	142	118.3 Å²	118.3	76%	0.759	73%	0.729	S	S	*	*	S	Bend	trans	-98.9	11	-179.5	-69.6	-27.1	0	0	0	113.7
835	L	29.4	Very low	30.5	Very low	149 Å²	149	127.4 Å²	127.4	78%	0.78	75%	0.748	S	S	*	*	S	Bend	trans	-134.8	36.8	-175.5	-78.7	174.4	0	0	0	114.2
836	D	27.4	Very low	29.5	Very low	155 Å²	155	124.5 Å²	124.5	83%	0.829	76%	0.758	S	S	*	*			trans	-133.1	41.9	167.4	-141.4	0.2	0	0	0	112.6
837	M	31.8	Very low	28.8	Very low	175 Å²	175	130 Å²	130	86%	0.862	78%	0.778	S	S	*	*	S	Bend	trans	-135.7	67.4	159.3	-114	-157.7	75.2	0	0	110.5
838	E	26.8	Very low	28.2	Very low	185 Å²	185	129 Å²	129	86%	0.864	78%	0.781	S	S	*	*			trans	175	125.2	133.3	-98.4	-177.3	-173.9	0	0	111
839	A	26.7	Very low	27.9	Very low	109 Å²	109	131.3 Å²	131.3	90%	0.901	80%	0.8	S	S	*	*			trans	-109.4	95.2	177.1	0	0	0	0	0	110.5
840	A	26.7	Very low	27.4	Very low	96 Å²	96	135 Å²	135	79%	0.793	81%	0.811	S	S	*	*			trans	-157.2	84.8	171.3	0	0	0	0	0	115
841	G	24.8	Very low	27.2	Very low	85 Å²	85	136.2 Å²	136.2	88%	0.876	82%	0.821	S	S	*	*			trans	72.8	167.5	149.7	0	0	0	0	0	119.1
842	G	23.9	Very low	26.7	Very low	83 Å²	83	133.9 Å²	133.9	86%	0.856	82%	0.815	S	S	*	*			trans	117.5	95.9	164.1	0	0	0	0	0	115.9
843	E	25	Very low	26.4	Very low	205 Å²	205	138.1 Å²	138.1	96%	0.958	83%	0.825	S	S	*	*			trans	-52	159.2	159.7	-53.1	166	150.9	0	0	112.7
844	G	24.9	Very low	26.2	Very low	76 Å²	76	140.2 Å²	140.2	78%	0.784	83%	0.826	S	S	*	*			trans	156.5	107.4	158.7	0	0	0	0	0	117.5
845	W	25.4	Very low	26.1	Very low	265 Å²	265	141.8 Å²	141.8	100%	1.004	83%	0.829	S	S	*	*			trans	-64.4	161.6	167.6	-60.6	31.9	0	0	0	113
846	G	25.7	Very low	25.9	Very low	80 Å²	80	142.3 Å²	142.3	83%	0.825	83%	0.832	S	S	*	*			trans	164.5	118.6	155.9	0	0	0	0	0	116.6
847	D	24.3	Very low	25.8	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	83%	0.829	S	S	*	*			trans	-67.8	166.1	173.9	-81.6	-42	0	0	0	115.7
848	D	24	Very low	25.5	Very low	153 Å²	153	140 Å²	140	82%	0.818	83%	0.832	S	S	*	*			trans	55.8	122.7	143.1	-65.3	-16	0	0	0	122.6
849	A	27	Very low	25.6	Very low	99 Å²	99	138 Å²	138	82%	0.818	83%	0.825	S	S	*	*				-161.4	121.1	116.6	0	0	0	0	0	111.8
850	E	27	Very low	25.6	Very low	185 Å²	185	140 Å²	140	86%	0.864	82%	0.821	S	S	*	*			trans	-70.3	154	155.4	-63.4	-179.2	132.5	0	0	109.9
851	L	26	Very low	26	Very low	173 Å²	173	139.7 Å²	139.7	91%	0.906	82%	0.818	S	S	*	*			trans	-155.8	147.1	147.9	-109.8	168.4	0	0	0	111.2
852	T	22.9	Very low	25.8	Very low	101 Å²	101	145 Å²	145	62%	0.62	82%	0.82	S	S	*	*			trans	-120.2	149.7	-157.9	48.8	0	0	0	0	113.1
853	M	24.3	Very low	26.3	Very low	158 Å²	158	149 Å²	149	78%	0.778	82%	0.823	S	S	*	*			trans	55.1	155.8	142.8	-66.8	179.3	80.6	0	0	119.5
854	D	25.6	Very low	26.2	Very low	120 Å²	120	142.6 Å²	142.6	64%	0.642	81%	0.811	S	S	*	*			cis	-168.5	-178.1	-21.2	-104.8	0.3	0	0	0	107.8
855	E	28.2	Very low	26.3	Very low	174 Å²	174	147.8 Å²	147.8	81%	0.813	82%	0.82	S	S	*	*			trans	79.6	128.4	151.1	-81.2	172.6	165.8	0	0	123.1
856	D	25.6	Very low	26.4	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	81%	0.81	S	S	*	*			trans	71	113.6	149	-65.7	-9.2	0	0	0	125.2
857	G	25.2	Very low	26.4	Very low	75 Å²	75	142 Å²	142	77%	0.773	81%	0.807	S	S	*	*				132.9	138.1	122.2	0	0	0	0	0	120.6
858	F	25.8	Very low	26.6	Very low	207 Å²	207	143.1 Å²	143.1	91%	0.908	81%	0.808	S	S	*	*			trans	-72.7	177.4	-179	-59.6	-94.1	0	0	0	114.5
859	I	28.1	Very low	26.7	Very low	142 Å²	142	139 Å²	139	73%	0.728	80%	0.801	S	S	*	*			cis	-163.7	161.5	23.2	-152.2	159.1	0	0	0	115.4
860	D	26.5	Very low	26.8	Very low	151 Å²	151	143 Å²	143	81%	0.807	81%	0.808	S	S	*	*			trans	48.5	152	151.7	-83.2	-29.3	0	0	0	127.8
861	A	35.1	Very low	26.7	Very low	90 Å²	90	137.5 Å²	137.5	74%	0.744	80%	0.801	S	S	*	*			trans	-73.4	171.4	177.7	0	0	0	0	0	117.8
862	Q	22.2	Very low	26.7	Very low	196 Å²	196	138.5 Å²	138.5	92%	0.916	80%	0.798	S	S	*	*			trans	-157.9	150.6	141.9	-148.5	146.6	19.8	0	0	115.2
863	D	32.7	Very low	26.8	Very low	169 Å²	169	141.3 Å²	141.3	90%	0.904	81%	0.805	S	S	*	*			trans	-81.8	170.4	-177.7	-75.6	-55.7	0	0	0	116.2
864	G	24.4	Very low	27	Very low	70 Å²	70	143.1 Å²	143.1	72%	0.722	81%	0.811	S	S	*	*			trans	-175.4	70	168.6	0	0	0	0	0	121.2
865	L	26.8	Very low	27	Very low	185 Å²	185	141 Å²	141	97%	0.969	82%	0.818	S	S	*	*			trans	48.7	138.3	135.4	-65.8	165.6	0	0	0	125.7
866	G	26.3	Very low	26.8	Very low	76 Å²	76	137 Å²	137	78%	0.784	82%	0.822	S	S	*	*			trans	98.7	152.5	142.2	0	0	0	0	0	118.7
867	D	26.4	Very low	26.8	Very low	146 Å²	146	132.8 Å²	132.8	78%	0.781	82%	0.818	S	S	*	*			cis	-164.7	169.1	-13.3	-163.7	19.1	0	0	0	112
868	E	28.8	Very low	27.2	Very low	175 Å²	175	141.3 Å²	141.3	82%	0.818	83%	0.827	S	S	*	*			trans	-6.6	154.7	170.6	-76.7	178.5	-175.6	0	0	124.6
869	G	26.7	Very low	27.3	Very low	66 Å²	66	139 Å²	139	68%	0.68	82%	0.824	S	S	*	*				144.3	77.5	127.3	0	0	0	0	0	122.6
870	L	27.4	Very low	28	Very low	183 Å²	183	139 Å²	139	96%	0.958	82%	0.823	S	S	*	*			trans	46.6	135.8	135.3	-65.8	162.4	0	0	0	123.7
871	G	25.6	Very low	28.2	Very low	70 Å²	70	139.1 Å²	139.1	72%	0.722	82%	0.824	S	S	*	*				146.3	91.7	127.7	0	0	0	0	0	121.3
872	K	26.1	Very low	28.7	Very low	194 Å²	194	143.9 Å²	143.9	84%	0.843	83%	0.831	S	S	*	*			trans	60	157.4	145.1	-66.9	-169.4	172.7	-167.8	0	120.7
873	E	25.6	Very low	29.5	Very low	161 Å²	161	143.1 Å²	143.1	75%	0.752	83%	0.828	S	S	*	*			cis	163.8	157.2	-30.4	-110.7	-176.4	150.6	0	0	106.4
874	E	27.6	Very low	29.4	Very low	196 Å²	196	142 Å²	142	92%	0.916	83%	0.826	S	S	*	*			trans	68.2	135.2	173.6	-58.7	-177	166.9	0	0	118
875	G	25.4	Very low	29.8	Very low	76 Å²	76	146.9 Å²	146.9	78%	0.784	83%	0.831	S	S	*	*			cis	162.2	136.1	-8	0	0	0	0	0	113.9
876	G	25	Very low	30.1	Very low	88 Å²	88	145 Å²	145	91%	0.907	82%	0.821	S	S	*	*			trans	77.3	133.1	166.7	0	0	0	0	0	116.2
877	G	25.7	Very low	30.5	Very low	73 Å²	73	145.9 Å²	145.9	75%	0.753	81%	0.813	S	S	*	*			cis	-166.3	152.6	-4.6	0	0	0	0	0	109.3
878	W	33	Very low	31.2	Very low	254 Å²	254	145 Å²	145	96%	0.962	82%	0.815	S	S	*	*			trans	-108.8	120.2	-173	-73.8	67.5	0	0	0	111.2
879	D	28.7	Very low	31.7	Very low	158 Å²	158	145.3 Å²	145.3	85%	0.845	82%	0.816	S	S	*	*			trans	-103.3	98.7	159.5	-86.8	-37.9	0	0	0	109.3
880	I	43.2	Very low	32.1	Very low	141 Å²	141	148.6 Å²	148.6	72%	0.723	82%	0.818	S	S	*	*			trans	26	111	142.1	-46.9	171.9	0	0	0	117.2
881	D	29.2	Very low	32.1	Very low	155 Å²	155	147.3 Å²	147.3	83%	0.829	81%	0.811	S	S	*	*				-163.4	170.4	121.2	-101.5	-23.7	0	0	0	112.1	E883	D881-E883 PolarHBondContact O-N 3.33Å
882	E	46.9	Very low	32.4	Very low	190 Å²	190	149.9 Å²	149.9	89%	0.888	81%	0.813	S	S	*	*	S	Bend	trans	-76.2	105.5	-158.4	-57.5	-178.8	129.1	0	0	116.1
883	E	38.1	Very low	32.5	Very low	180 Å²	180	146 Å²	146	84%	0.841	81%	0.808	S	S	*	*			trans	-164	113.7	144.4	-115.2	167	-160.7	0	0	111.1	D881 E885	D881-E883 PolarHBondContact O-N 3.33Å; E883-E885 PolarHBondContact O-N 3.4Å
884	V	31.2	Very low	32.9	Very low	145 Å²	145	147 Å²	147	88%	0.879	82%	0.817	S	S	*	*			trans	-93.7	89.6	173.6	-178.6	0	0	0	0	109.1
885	E	32.1	Very low	32.9	Very low	173 Å²	173	141 Å²	141	81%	0.808	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.9	141.3	158.6	-70.8	-166.7	130.2	0	0	110	E883	E883-E885 PolarHBondContact O-N 3.4Å
886	L	33.5	Very low	32.9	Very low	145 Å²	145	142.2 Å²	142.2	76%	0.759	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-79.1	138.6	174.9	-78.6	157.4	0	0	0	109.4
887	P	33.6	Very low	33.4	Very low	95 Å²	95	142.4 Å²	142.4	62%	0.617	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-58.5	144.6	180	-25	33.9	0	0	0	112.9	E889	P887-E889 PolarHBondContact O-N 3.41Å
888	P	41.6	Very low	33.3	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	81%	0.811	S	S	*	*	S	Bend	trans	-75.3	21.3	-175	31.9	-37	0	0	0	115.2	L890	P888-L890 VanDerWaalsContact C-N 3.34Å; P888-L890 PolarHBondContact O-N 3.08Å
889	E	39.8	Very low	33.3	Very low	181 Å²	181	136.2 Å²	136.2	85%	0.846	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	46.5	177.9	-65.9	-173	161.1	0	0	112.2	P887	P887-E889 PolarHBondContact O-N 3.41Å
890	L	34.3	Very low	33.4	Very low	136 Å²	136	133.9 Å²	133.9	71%	0.712	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	15.9	171.9	-89	170.3	0	0	0	113.5	P888 V892	P888-L890 VanDerWaalsContact C-N 3.34Å; P888-L890 PolarHBondContact O-N 3.08Å; L890-V892 PolarHBondContact O-N 3.33Å; L890-V892 VanDerWaalsContact O-N 3.16Å
891	D	29.1	Very low	33.5	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	80%	0.799	S	S	*	*			trans	-72.5	100.8	159.8	-88.7	-16.2	0	0	0	109.2	P893	D891-P893 WeakPolarHBondContact O-CD 3.27Å
892	V	31.1	Very low	33.9	Very low	124 Å²	124	132.9 Å²	132.9	75%	0.752	79%	0.79	S	S	*	*			trans	-68.7	124.2	166.1	-174	0	0	0	0	107.3	L890 L894	L890-V892 PolarHBondContact O-N 3.33Å; L890-V892 VanDerWaalsContact O-N 3.16Å; V892-L894 PolarHBondContact O-N 2.86Å
893	P	28	Very low	33.5	Very low	114 Å²	114	125.1 Å²	125.1	74%	0.74	76%	0.761	S	S	*	*			trans	-58.1	139.1	175.6	-23	33.3	0	0	0	110.7	D891 G895	D891-P893 WeakPolarHBondContact O-CD 3.27Å; P893-G895 PolarHBondContact O-N 3.49Å
894	L	33.6	Very low	33.9	Very low	182 Å²	182	120.2 Å²	120.2	95%	0.953	74%	0.737	S	S	*	*			trans	-67.2	81	169.9	-84.1	157.5	0	0	0	109.8	V892 A896	V892-L894 PolarHBondContact O-N 2.86Å; L894-A896 PolarHBondContact O-N 2.93Å
895	G	27.1	Very low	34.6	Very low	70 Å²	70	115 Å²	115	72%	0.722	70%	0.702	S	S	*	*			trans	-65.1	127	174.4	0	0	0	0	0	111.1	P893	P893-G895 PolarHBondContact O-N 3.49Å
896	A	27.3	Very low	35.3	Very low	101 Å²	101	111.3 Å²	111.3	84%	0.835	69%	0.692	S	S	*	*			trans	-71.4	141.8	-174.8	0	0	0	0	0	113.2	L894	L894-A896 PolarHBondContact O-N 2.93Å
897	G	35.3	Very low	35.9	Very low	91 Å²	91	107.7 Å²	107.7	94%	0.938	68%	0.677	S	S	*	*			trans	27.8	88.6	154.1	0	0	0	0	0	119.4
898	G	24	Very low	36.5	Very low	70 Å²	70	107.9 Å²	107.9	72%	0.722	68%	0.678	S	S	*	*			trans	-126.1	117.9	156.5	0	0	0	0	0	109.8	T900	G898-T900 PolarHBondContact O-N 3.25Å
899	S	32.4	Very low	37.3	Very low	127 Å²	127	108.5 Å²	108.5	89%	0.888	68%	0.68	S	S	*	*			trans	-81.8	101.6	-179.3	55.1	0	0	0	0	111.6
900	T	30	Very low	38.2	Very low	110 Å²	110	109.8 Å²	109.8	68%	0.675	68%	0.683	S	S	*	*			trans	-111.8	123.8	163.8	61.9	0	0	0	0	110.6	G898 D902	G898-T900 PolarHBondContact O-N 3.25Å; T900-D902 VanDerWaalsContact C-N 3.33Å; T900-D902 WeakPolarHBondContact CB-OD2 3.38Å; T900-D902 PolarHBondContact O-N 3.08Å; T900-D902 VanDerWaalsContact O-N 3.12Å; T900-D902 PolarHBondContact OG1-OD2 3.28Å
901	E	45.7	Very low	39.7	Very low	155 Å²	155	106.3 Å²	106.3	72%	0.724	68%	0.68	S	S	*	*			trans	-82.4	73.1	177.1	-73.2	-157.9	97.7	0	0	111	K815 G903	K815-E901 IonicContact NZ-OE1 3.96Å; K815-E901 PolarHBondContact NZ-OE1 3.08Å; E901-G903 PolarHBondContact O-N 3.25Å
902	D	37	Very low	41.7	Very low	120 Å²	120	103.1 Å²	103.1	64%	0.642	66%	0.661	S	S	*	*			trans	-89.3	104.3	-177.6	-69.6	-58	0	0	0	112	T900	T900-D902 VanDerWaalsContact C-N 3.33Å; T900-D902 WeakPolarHBondContact CB-OD2 3.38Å; T900-D902 PolarHBondContact O-N 3.08Å; T900-D902 VanDerWaalsContact O-N 3.12Å; T900-D902 PolarHBondContact OG1-OD2 3.28Å
903	G	39.9	Very low	44.1	Very low	27 Å²	27	99.7 Å²	99.7	28%	0.278	64%	0.642	S	S	.	*			trans	-102.3	170.5	-175.5	0	0	0	0	0	114.7	E901	E901-G903 PolarHBondContact O-N 3.25Å
904	F	46.2	Very low	46.5	Very low	77 Å²	77	96.6 Å²	96.6	34%	0.338	62%	0.622	S	S	.	*			trans	-66.2	129.6	-169.4	-169	-113.1	0	0	0	115.4	C655 G656 V906	C655-F904 WeakPolarHBondContact O-CE2 3.48Å; C655-F904 WeakPolarHBondContact O-CZ 3.33Å; G656-F904 VanDerWaalsContact C-CE2 3.5Å; G656-F904 WeakPolarHBondContact O-CE2 3.38Å; F904-V906 HydrophobicContact CD1-CG2 3.95Å; F904-V906 HydrophobicContact CE1-CG2 3.5Å
905	F	44.6	Very low	48.9	Very low	34 Å²	34	89.3 Å²	89.3	15%	0.149	59%	0.585	C	S	.	*			trans	-103.5	105.3	175.4	179.3	-116.7	0	0	0	112.4	L810 L811 P907	L810-F905 HydrophobicContact CB-CB 4.22Å; L810-F905 HydrophobicContact CD1-CB 4.32Å; L810-F905 HydrophobicContact CD2-CB 3.89Å; L810-F905 HydrophobicContact CD2-CD1 4.3Å; L810-F905 HydrophobicContact CD2-CG 4.27Å; L810-F905 HydrophobicContact CG-CB 4.37Å; L811-F905 HydrophobicContact CB-CD2 3.95Å; L811-F905 HydrophobicContact CB-CE2 3.82Å; L811-F905 HydrophobicContact CD1-CE2 3.84Å; L811-F905 HydrophobicContact CD1-CZ 4.43Å; L811-F905 HydrophobicContact CG-CE2 4.39Å; F905-P907 HydrophobicContact CE1-CB 3.83Å; F905-P907 HydrophobicContact CZ-CB 4.11Å; F905-P907 WeakPolarHBondContact O-CD 3.48Å
906	V	48.3	Very low	51.7	Low	97 Å²	97	90.8 Å²	90.8	59%	0.588	57%	0.574	S	S	*	*			trans	-80.5	115.2	158.3	178.5	0	0	0	0	107.7	F904 P908	F904-V906 HydrophobicContact CD1-CG2 3.95Å; F904-V906 HydrophobicContact CE1-CG2 3.5Å; V906-P908 WeakPolarHBondContact O-CD 3.45Å; V906-P908 VanDerWaalsContact O-N 3.15Å
907	P	44.8	Very low	54.4	Low	69 Å²	69	87.8 Å²	87.8	45%	0.448	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-58.9	122.7	173.9	23	-32.3	0	0	0	109.1	F905 T909	F905-P907 HydrophobicContact CE1-CB 3.83Å; F905-P907 HydrophobicContact CZ-CB 4.11Å; F905-P907 WeakPolarHBondContact O-CD 3.48Å; P907-T909 PolarHBondContact O-N 2.87Å
908	P	47.3	Very low	56.9	Low	99 Å²	99	83.6 Å²	83.6	64%	0.643	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-59.8	120.4	-176.1	22	-32	0	0	0	109	V906 K910	V906-P908 WeakPolarHBondContact O-CD 3.45Å; V906-P908 VanDerWaalsContact O-N 3.15Å; P908-K910 PolarHBondContact O-N 2.8Å; P908-K910 VanDerWaalsContact O-N 3.1Å
909	T	56.7	Low	59.9	Low	140 Å²	140	81.4 Å²	81.4	86%	0.859	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-55.6	122.2	-179.3	18.9	0	0	0	0	108.9	P907 G911	P907-T909 PolarHBondContact O-N 2.87Å; T909-G911 PolarHBondContact O-N 2.89Å
910	K	59.7	Low	62.5	Low	207 Å²	207	80.1 Å²	80.1	90%	0.9	46%	0.455	S	S	*	.			trans	-47.1	109.7	-174.7	-178	177.4	-178.9	175.1	0	110.1	P908	P908-K910 PolarHBondContact O-N 2.8Å; P908-K910 VanDerWaalsContact O-N 3.1Å
911	G	64.9	Low	65.2	Low	63 Å²	63	78.5 Å²	78.5	65%	0.649	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-57.9	141.1	-178	0	0	0	0	0	111	T909	T909-G911 PolarHBondContact O-N 2.89Å
912	M	72.7	Confident	67.1	Low	89 Å²	89	71.6 Å²	71.6	44%	0.438	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-60.7	140.2	169.9	-60.3	-177.7	71.4	0	0	108.9	Q916 M917 N920	M912-Q916 HydrophobicContact CE-CG 3.97Å; M912-M917 HydrophobicContact CB-CE 3.93Å; M912-M917 HydrophobicContact CB-CG 4.12Å; M912-N920 WeakPolarHBondContact CE-ND2 3.39Å
913	S	79.8	Confident	69.5	Low	51 Å²	51	70.7 Å²	70.7	36%	0.357	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-64.6	145.7	178.3	64.8	0	0	0	0	110.4	T915 Q916 M917	S913-T915 PolarHBondContact O-N 3.02Å; S913-T915 VanDerWaalsContact O-N 3.15Å; S913-T915 PolarHBondContact OG-OG1 2.88Å; S913-T915 VanDerWaalsContact OG-OG1 3.08Å; S913-Q916 PolarHBondContact O-N 2.83Å; S913-Q916 WeakPolarHBondContact OG-CB 3.35Å; S913-Q916 PolarHBondContact OG-N 2.76Å; S913-M917 PolarHBondContact O-N 2.76Å
914	P	79.4	Confident	71.9	Confident	49 Å²	49	69.5 Å²	69.5	32%	0.318	39%	0.39	S	S	.	.	H	α-helix	trans	-54.1	-35.3	175.8	-28.9	36.1	0	0	0	112.9	M917 W918 H980	P914-M917 PolarHBondContact O-N 2.84Å; P914-W918 PolarHBondContact O-N 2.85Å; P914-H980 HydrophobicContact CB-CB 4.46Å
915	T	83.5	Confident	74.1	Confident	29 Å²	29	65.9 Å²	65.9	18%	0.178	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-39.5	175.9	55.2	0	0	0	0	112.9	S913 W918 C919 A931	S913-T915 PolarHBondContact O-N 3.02Å; S913-T915 VanDerWaalsContact O-N 3.15Å; S913-T915 PolarHBondContact OG-OG1 2.88Å; S913-T915 VanDerWaalsContact OG-OG1 3.08Å; T915-W918 HydrophobicContact CG2-CE3 4.36Å; T915-W918 HydrophobicContact CG2-CZ3 4.29Å; T915-W918 PolarHBondContact O-N 2.96Å; T915-C919 PolarHBondContact O-N 2.83Å; T915-A931 WeakPolarHBondContact CG2-O 3.42Å; T915-A931 WeakPolarHBondContact O-CB 3.44Å
916	Q	85.6	Confident	76.3	Confident	102 Å²	102	64.5 Å²	64.5	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-71.8	-35.8	175.5	-168.8	178.5	12.8	0	0	111.5	M912 S913 W918 C919 N920	M912-Q916 HydrophobicContact CE-CG 3.97Å; S913-Q916 PolarHBondContact O-N 2.83Å; S913-Q916 WeakPolarHBondContact OG-CB 3.35Å; S913-Q916 PolarHBondContact OG-N 2.76Å; Q916-W918 VanDerWaalsContact C-N 3.35Å; Q916-W918 PolarHBondContact O-N 2.85Å; Q916-C919 PolarHBondContact O-N 2.93Å; Q916-N920 PolarHBondContact O-N 3.44Å
917	M	84.8	Confident	78.4	Confident	38 Å²	38	59.9 Å²	59.9	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-42	173.1	-65.8	-173.9	177	0	0	112	M912 S913 P914 C919 N920 N921 A990	M912-M917 HydrophobicContact CB-CE 3.93Å; M912-M917 HydrophobicContact CB-CG 4.12Å; S913-M917 PolarHBondContact O-N 2.76Å; P914-M917 PolarHBondContact O-N 2.84Å; M917-C919 PolarHBondContact O-N 2.84Å; M917-N920 PolarHBondContact O-N 3.21Å; M917-N921 WeakPolarHBondContact O-CB 3.21Å; M917-N921 PolarHBondContact O-N 2.71Å; M917-N921 PolarHBondContact O-ND2 3.32Å; M917-A990 VanDerWaalsContact SD-O 3.36Å
918	W	87.8	Confident	80.6	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-44.4	177.7	-62.4	-16.8	0	0	0	112.5	P914 T915 Q916 N920 N921 S922 A931 H980 P995	P914-W918 PolarHBondContact O-N 2.85Å; T915-W918 HydrophobicContact CG2-CE3 4.36Å; T915-W918 HydrophobicContact CG2-CZ3 4.29Å; T915-W918 PolarHBondContact O-N 2.96Å; Q916-W918 VanDerWaalsContact C-N 3.35Å; Q916-W918 PolarHBondContact O-N 2.85Å; W918-N920 VanDerWaalsContact C-N 3.31Å; W918-N920 PolarHBondContact O-N 3.4Å; W918-N921 PolarHBondContact O-N 2.94Å; W918-S922 PolarHBondContact O-N 2.82Å; W918-S922 VanDerWaalsContact O-N 3.16Å; W918-A931 HydrophobicContact CB-CB 4.5Å; W918-A931 HydrophobicContact CE3-CB 4.17Å; W918-H980 HydrophobicContact CH2-CB 3.81Å; W918-H980 AromaticContact CH2-CG 3.98Å; W918-H980 AromaticContact CH2-ND1 3.48Å; W918-H980 WeakPolarHBondContact CH2-ND1 3.37Å; W918-H980 HydrophobicContact CZ2-CB 3.84Å; W918-H980 AromaticContact CZ3-ND1 3.96Å; W918-P995 HydrophobicContact CD2-CB 3.81Å; W918-P995 HydrophobicContact CD2-CG 4.03Å; W918-P995 HydrophobicContact CE3-CB 3.77Å; W918-P995 HydrophobicContact CE3-CG 4.13Å; W918-P995 HydrophobicContact CG-CG 4.27Å; W918-P995 HydrophobicContact CH2-CB 3.82Å; W918-P995 HydrophobicContact CZ2-CB 3.86Å; W918-P995 HydrophobicContact CZ3-CB 3.79Å
919	C	87.1	Confident	82.8	Confident	25 Å²	25	52.4 Å²	52.4	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-32.3	176.3	-71.9	0	0	0	0	113.4	T915 Q916 M917 H928 A931	T915-C919 PolarHBondContact O-N 2.83Å; Q916-C919 PolarHBondContact O-N 2.93Å; M917-C919 PolarHBondContact O-N 2.84Å; C919-H928 PolarHBondContact O-CE1 2.67Å; C919-H928 VanDerWaalsContact O-CE1 3.24Å; C919-H928 PolarHBondContact O-NE2 3.48Å; C919-H928 PolarHBondContact SG-ND1 2.8Å; C919-H928 VanDerWaalsContact SG-ND1 3.36Å; C919-A931 VanDerWaalsContact SG-CB 3.56Å
920	N	86.4	Confident	84.3	Confident	99 Å²	99	45.8 Å²	45.8	53%	0.529	25%	0.251	S	S	.	.	H	α-helix	trans	-78.5	-35.6	177.6	-69.7	-8.8	0	0	0	112.6	M912 Q916 M917 W918	M912-N920 WeakPolarHBondContact CE-ND2 3.39Å; Q916-N920 PolarHBondContact O-N 3.44Å; M917-N920 PolarHBondContact O-N 3.21Å; W918-N920 VanDerWaalsContact C-N 3.31Å; W918-N920 PolarHBondContact O-N 3.4Å
921	N	86	Confident	85.7	Confident	77 Å²	77	36.3 Å²	36.3	41%	0.412	21%	0.211	S	C	.	.	H	α-helix	trans	-85.3	-18.3	-173.6	-70.2	-15.7	0	0	0	113.9	M917 W918 K991 L994	M917-N921 WeakPolarHBondContact O-CB 3.21Å; M917-N921 PolarHBondContact O-N 2.71Å; M917-N921 PolarHBondContact O-ND2 3.32Å; W918-N921 PolarHBondContact O-N 2.94Å; N921-K991 PolarHBondContact ND2-O 3.49Å; N921-L994 HydrophobicContact CB-CD2 4.02Å
922	S	86.4	Confident	86.8	Confident	10 Å²	10	34.8 Å²	34.8	7%	0.07	20%	0.195	C	C	.	.			trans	-131.3	146.2	-173.8	-170.5	0	0	0	0	113.5	W918 L924 D927 H928	W918-S922 PolarHBondContact O-N 2.82Å; W918-S922 VanDerWaalsContact O-N 3.16Å; S922-L924 PolarHBondContact OG-N 3.14Å; S922-D927 VanDerWaalsContact CB-OD2 3.23Å; S922-D927 WeakPolarHBondContact CB-OD2 3.23Å; S922-D927 PolarHBondContact OG-OD2 2.92Å; S922-H928 PolarHBondContact O-NE2 3.31Å
923	Q	87.5	Confident	87.7	Confident	101 Å²	101	32.5 Å²	32.5	47%	0.472	19%	0.188	S	C	.	.			trans	-110.1	11.3	173.3	-62.8	-65.6	-23.7	0	0	112.1	Q944 F1221	Q923-Q944 PolarHBondContact O-NE2 3.07Å; Q923-F1221 HydrophobicContact CB-CD1 4.11Å; Q923-F1221 HydrophobicContact CB-CE1 3.69Å; Q923-F1221 HydrophobicContact CB-CE2 4.39Å; Q923-F1221 HydrophobicContact CB-CZ 3.83Å; Q923-F1221 WeakPolarHBondContact O-CZ 3.47Å
924	L	90.9	Very high	88.3	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.01	18%	0.184	C	C	.	.			trans	-85.1	127.7	177	-67.7	168.2	0	0	0	110.3	S922 V926 D927 H928 V1038 P1218 F1221	S922-L924 PolarHBondContact OG-N 3.14Å; L924-V926 VanDerWaalsContact C-N 3.26Å; L924-V926 HydrophobicContact CB-CG1 4.25Å; L924-V926 PolarHBondContact O-N 3.35Å; L924-V926 VanDerWaalsContact O-N 3.16Å; L924-D927 PolarHBondContact O-N 3.02Å; L924-D927 VanDerWaalsContact O-N 3.08Å; L924-H928 PolarHBondContact O-CD2 3.5Å; L924-V1038 HydrophobicContact CD1-CG1 4.01Å; L924-V1038 HydrophobicContact CD1-CG2 4.12Å; L924-P1218 HydrophobicContact CD1-CG 4.07Å; L924-F1221 HydrophobicContact CD2-CE2 3.85Å; L924-F1221 HydrophobicContact CG-CE2 4.32Å
925	P	91.9	Very high	88.9	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-53.9	-38.9	-177.4	-26.9	32.9	0	0	0	114.3	D927 H928 I929 L940 L941	P925-D927 VanDerWaalsContact C-N 3.33Å; P925-D927 PolarHBondContact O-N 3.45Å; P925-H928 PolarHBondContact O-N 3.14Å; P925-I929 WeakPolarHBondContact O-CG1 3.45Å; P925-I929 PolarHBondContact O-N 3.14Å; P925-L940 HydrophobicContact CG-CB 3.98Å; P925-L941 HydrophobicContact CB-CD1 4.41Å; P925-L941 HydrophobicContact CB-CD2 3.99Å; P925-L941 HydrophobicContact CB-CG 3.87Å; P925-L941 HydrophobicContact CG-CD2 3.83Å; P925-L941 HydrophobicContact CG-CG 4.01Å
926	V	91.6	Very high	89.4	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-34.8	179.5	60.2	0	0	0	0	113.6	L924 I929 L930 T960 L1036 V1038	L924-V926 VanDerWaalsContact C-N 3.26Å; L924-V926 HydrophobicContact CB-CG1 4.25Å; L924-V926 PolarHBondContact O-N 3.35Å; L924-V926 VanDerWaalsContact O-N 3.16Å; V926-I929 PolarHBondContact O-N 3.47Å; V926-L930 HydrophobicContact CG2-CD1 3.99Å; V926-L930 WeakPolarHBondContact O-CD1 3.33Å; V926-L930 VanDerWaalsContact O-CG 3.3Å; V926-L930 WeakPolarHBondContact O-CG 3.45Å; V926-L930 PolarHBondContact O-N 3Å; V926-T960 HydrophobicContact CG2-CG2 4Å; V926-L1036 WeakPolarHBondContact CG2-O 3.19Å; V926-V1038 HydrophobicContact CG1-CG2 3.39Å
927	D	91.4	Very high	89.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.9	-34.6	179.5	-66.7	-20.5	0	0	0	111.2	S922 L924 P925 L930 A931 R983 P995	S922-D927 VanDerWaalsContact CB-OD2 3.23Å; S922-D927 WeakPolarHBondContact CB-OD2 3.23Å; S922-D927 PolarHBondContact OG-OD2 2.92Å; L924-D927 PolarHBondContact O-N 3.02Å; L924-D927 VanDerWaalsContact O-N 3.08Å; P925-D927 VanDerWaalsContact C-N 3.33Å; P925-D927 PolarHBondContact O-N 3.45Å; D927-L930 PolarHBondContact O-N 3.16Å; D927-A931 PolarHBondContact O-N 3.45Å; D927-A931 VanDerWaalsContact O-N 3.09Å; D927-R983 IonicContact OD1-CZ 3.68Å; D927-R983 IonicContact OD1-NH1 3.64Å; D927-R983 PolarHBondContact OD1-NH1 3.42Å; D927-R983 IonicContact OD1-NH2 2.73Å; D927-R983 PolarHBondContact OD1-NH2 3.36Å; D927-R983 IonicContact OD2-CZ 3.13Å; D927-R983 IonicContact OD2-NH1 3.52Å; D927-R983 IonicContact OD2-NH2 3.84Å; D927-R983 PolarHBondContact OD2-NH2 2.57Å; D927-P995 HydrophobicContact CB-CG 3.96Å; D927-P995 WeakPolarHBondContact OD1-CG 3.42Å
928	H	91.9	Very high	90.1	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.046	18%	0.183	C	C	.	.	H	α-helix	trans	-70.9	-36.8	173.5	-73	-102.2	0	0	0	112.2	C919 S922 L924 P925 A931 G932 S933 T936 A937	C919-H928 PolarHBondContact O-CE1 2.67Å; C919-H928 VanDerWaalsContact O-CE1 3.24Å; C919-H928 PolarHBondContact O-NE2 3.48Å; C919-H928 PolarHBondContact SG-ND1 2.8Å; C919-H928 VanDerWaalsContact SG-ND1 3.36Å; S922-H928 PolarHBondContact O-NE2 3.31Å; L924-H928 PolarHBondContact O-CD2 3.5Å; P925-H928 PolarHBondContact O-N 3.14Å; H928-A931 WeakPolarHBondContact O-CB 3.37Å; H928-A931 PolarHBondContact O-N 3.03Å; H928-G932 PolarHBondContact O-N 3.14Å; H928-G932 VanDerWaalsContact O-N 3.15Å; H928-S933 PolarHBondContact O-N 2.99Å; H928-T936 WeakPolarHBondContact ND1-CB 3.48Å; H928-T936 PolarHBondContact ND1-OG1 3.34Å; H928-A937 HydrophobicContact CB-CB 3.94Å
929	I	91.9	Very high	90.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-43.2	172.7	-66.3	162.2	0	0	0	110.6	P925 V926 A931 G932 F934 A937 F957 T960 L1036	P925-I929 WeakPolarHBondContact O-CG1 3.45Å; P925-I929 PolarHBondContact O-N 3.14Å; V926-I929 PolarHBondContact O-N 3.47Å; I929-A931 VanDerWaalsContact C-N 3.31Å; I929-A931 PolarHBondContact O-N 3.11Å; I929-G932 PolarHBondContact O-N 3.47Å; I929-F934 HydrophobicContact CG2-CE1 4.17Å; I929-A937 HydrophobicContact CD1-CB 4.19Å; I929-A937 HydrophobicContact CG1-CB 3.53Å; I929-F957 HydrophobicContact CD1-CD1 3.64Å; I929-F957 HydrophobicContact CD1-CD2 4.42Å; I929-F957 HydrophobicContact CD1-CE1 3.38Å; I929-F957 HydrophobicContact CD1-CE2 4.2Å; I929-F957 HydrophobicContact CD1-CG 4.16Å; I929-F957 HydrophobicContact CD1-CZ 3.69Å; I929-F957 HydrophobicContact CG1-CD1 4.3Å; I929-F957 HydrophobicContact CG1-CD2 4.28Å; I929-F957 HydrophobicContact CG1-CE1 4.22Å; I929-F957 HydrophobicContact CG1-CE2 4.19Å; I929-F957 HydrophobicContact CG1-CG 4.33Å; I929-F957 HydrophobicContact CG1-CZ 4.16Å; I929-F957 HydrophobicContact CG2-CB 4.41Å; I929-F957 HydrophobicContact CG2-CG 4.42Å; I929-T960 HydrophobicContact CB-CG2 4.21Å; I929-T960 HydrophobicContact CG2-CG2 3.55Å; I929-L1036 HydrophobicContact CD1-CD2 3.6Å
930	L	89.7	Confident	90.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-31	177.4	-72.2	161.7	0	0	0	112.7	V926 D927 G932 T960 R963 P995	V926-L930 HydrophobicContact CG2-CD1 3.99Å; V926-L930 WeakPolarHBondContact O-CD1 3.33Å; V926-L930 VanDerWaalsContact O-CG 3.3Å; V926-L930 WeakPolarHBondContact O-CG 3.45Å; V926-L930 PolarHBondContact O-N 3Å; D927-L930 PolarHBondContact O-N 3.16Å; L930-G932 VanDerWaalsContact C-N 3.29Å; L930-T960 HydrophobicContact CD2-CG2 3.97Å; L930-T960 WeakPolarHBondContact CD2-O 3.26Å; L930-T960 HydrophobicContact CG-CG2 3.94Å; L930-R963 HydrophobicContact CD2-CB 4.42Å; L930-P995 HydrophobicContact CB-CB 3.89Å; L930-P995 HydrophobicContact CB-CG 3.97Å; L930-P995 HydrophobicContact CD1-CB 3.86Å; L930-P995 HydrophobicContact CD1-CG 3.81Å; L930-P995 HydrophobicContact CG-CB 4.42Å
931	A	88.2	Confident	91	Very high	8 Å²	8	34.9 Å²	34.9	7%	0.066	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-28.4	170	0	0	0	0	0	113.1	T915 W918 C919 D927 H928 I929 R965	T915-A931 WeakPolarHBondContact CG2-O 3.42Å; T915-A931 WeakPolarHBondContact O-CB 3.44Å; W918-A931 HydrophobicContact CB-CB 4.5Å; W918-A931 HydrophobicContact CE3-CB 4.17Å; C919-A931 VanDerWaalsContact SG-CB 3.56Å; D927-A931 PolarHBondContact O-N 3.45Å; D927-A931 VanDerWaalsContact O-N 3.09Å; H928-A931 WeakPolarHBondContact O-CB 3.37Å; H928-A931 PolarHBondContact O-N 3.03Å; I929-A931 VanDerWaalsContact C-N 3.31Å; I929-A931 PolarHBondContact O-N 3.11Å; A931-R965 PolarHBondContact O-NH2 2.78Å
932	G	88.9	Confident	91.4	Very high	31 Å²	31	34.1 Å²	34.1	32%	0.32	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	11.3	-171.4	0	0	0	0	0	113.8	H928 I929 L930 F934	H928-G932 PolarHBondContact O-N 3.14Å; H928-G932 VanDerWaalsContact O-N 3.15Å; I929-G932 PolarHBondContact O-N 3.47Å; L930-G932 VanDerWaalsContact C-N 3.29Å; G932-F934 PolarHBondContact O-N 3.29Å
933	S	91.7	Very high	91.7	Very high	40 Å²	40	37.2 Å²	37.2	28%	0.28	19%	0.188	S	C	.	.			trans	-90	79.4	176.4	-167.9	0	0	0	0	109.7	H928 E935 T936 A937	H928-S933 PolarHBondContact O-N 2.99Å; S933-E935 PolarHBondContact O-N 2.8Å; S933-T936 VanDerWaalsContact CB-OG1 3.31Å; S933-T936 WeakPolarHBondContact CB-OG1 3Å; S933-T936 PolarHBondContact O-OG1 3.46Å; S933-T936 VanDerWaalsContact O-OG1 3.09Å; S933-T936 PolarHBondContact OG-OG1 2.98Å; S933-A937 PolarHBondContact O-N 3.09Å
934	F	92.4	Very high	91.9	Very high	64 Å²	64	32.7 Å²	32.7	28%	0.281	17%	0.167	S	C	.	.	H	α-helix	trans	-68	-34.2	-176.1	-63.3	-52	0	0	0	113.2	I929 G932 T936 A937 M938 F957 M958 L961	I929-F934 HydrophobicContact CG2-CE1 4.17Å; G932-F934 PolarHBondContact O-N 3.29Å; F934-T936 PolarHBondContact O-N 3.19Å; F934-A937 PolarHBondContact O-N 3.32Å; F934-M938 WeakPolarHBondContact O-CB 3.3Å; F934-M938 VanDerWaalsContact O-CG 3.26Å; F934-M938 WeakPolarHBondContact O-CG 3.48Å; F934-M938 PolarHBondContact O-N 3.49Å; F934-F957 HydrophobicContact CD1-CB 4.44Å; F934-F957 AromaticContact CD1-CD2 3.58Å; F934-F957 HydrophobicContact CD1-CD2 3.58Å; F934-F957 HydrophobicContact CD1-CE2 4.26Å; F934-F957 HydrophobicContact CD1-CG 4.39Å; F934-F957 HydrophobicContact CE1-CB 3.99Å; F934-F957 HydrophobicContact CE1-CD2 4.01Å; F934-F957 HydrophobicContact CE1-CG 4.41Å; F934-F957 HydrophobicContact CG-CD2 4.37Å; F934-M958 HydrophobicContact CZ-SD 4.27Å; F934-L961 HydrophobicContact CE1-CD2 4.5Å; F934-L961 HydrophobicContact CE2-CD2 4.3Å; F934-L961 HydrophobicContact CZ-CB 4.37Å; F934-L961 HydrophobicContact CZ-CD2 3.66Å
935	E	91.9	Very high	91.9	Very high	124 Å²	124	32.7 Å²	32.7	58%	0.579	17%	0.168	S	C	*	.	H	α-helix	trans	-61.7	-46	-179.3	-169.9	-156.1	130.8	0	0	111.9	S933 M938 R939	S933-E935 PolarHBondContact O-N 2.8Å; E935-M938 PolarHBondContact O-N 2.93Å; E935-R939 PolarHBondContact O-N 3.42Å; E935-R939 IonicContact OE1-CZ 2.74Å; E935-R939 IonicContact OE1-NH1 4Å; E935-R939 PolarHBondContact OE1-NH1 3.41Å; E935-R939 IonicContact OE1-NH2 3.45Å; E935-R939 PolarHBondContact OE1-NH2 3.47Å
936	T	92.9	Very high	91.9	Very high	38 Å²	38	32.7 Å²	32.7	23%	0.233	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-39.5	178.6	54.4	0	0	0	0	111.3	H928 S933 F934 R939 L940	H928-T936 WeakPolarHBondContact ND1-CB 3.48Å; H928-T936 PolarHBondContact ND1-OG1 3.34Å; S933-T936 VanDerWaalsContact CB-OG1 3.31Å; S933-T936 WeakPolarHBondContact CB-OG1 3Å; S933-T936 PolarHBondContact O-OG1 3.46Å; S933-T936 VanDerWaalsContact O-OG1 3.09Å; S933-T936 PolarHBondContact OG-OG1 2.98Å; F934-T936 PolarHBondContact O-N 3.19Å; T936-R939 PolarHBondContact O-N 3.33Å; T936-L940 VanDerWaalsContact O-CG 3.3Å; T936-L940 WeakPolarHBondContact O-CG 3.4Å; T936-L940 PolarHBondContact O-N 3.27Å
937	A	92.4	Very high	92	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-41.2	173.8	0	0	0	0	0	113.3	H928 I929 S933 F934 L940 L941	H928-A937 HydrophobicContact CB-CB 3.94Å; I929-A937 HydrophobicContact CD1-CB 4.19Å; I929-A937 HydrophobicContact CG1-CB 3.53Å; S933-A937 PolarHBondContact O-N 3.09Å; F934-A937 PolarHBondContact O-N 3.32Å; A937-L940 PolarHBondContact O-N 3.42Å; A937-L941 WeakPolarHBondContact O-CG 3.26Å; A937-L941 PolarHBondContact O-N 2.74Å
938	M	93.8	Very high	92.1	Very high	66 Å²	66	35.7 Å²	35.7	33%	0.325	19%	0.186	S	C	.	.	H	α-helix	trans	-64.5	-44.5	176	-72.6	177.8	179.4	0	0	111.3	F934 E935 L940 L941 H942 F950 F957	F934-M938 WeakPolarHBondContact O-CB 3.3Å; F934-M938 VanDerWaalsContact O-CG 3.26Å; F934-M938 WeakPolarHBondContact O-CG 3.48Å; F934-M938 PolarHBondContact O-N 3.49Å; E935-M938 PolarHBondContact O-N 2.93Å; M938-L940 PolarHBondContact O-N 2.97Å; M938-L941 PolarHBondContact O-N 3.23Å; M938-H942 WeakPolarHBondContact O-CB 3.45Å; M938-H942 PolarHBondContact O-N 2.98Å; M938-F950 HydrophobicContact CB-CD1 4.35Å; M938-F950 HydrophobicContact CB-CE1 3.82Å; M938-F950 HydrophobicContact CB-CE2 4.22Å; M938-F950 HydrophobicContact CB-CZ 3.74Å; M938-F950 HydrophobicContact CE-CB 4.23Å; M938-F950 HydrophobicContact CE-CD1 4.47Å; M938-F950 HydrophobicContact CE-CG 4.37Å; M938-F950 HydrophobicContact CG-CD1 3.74Å; M938-F950 HydrophobicContact CG-CD2 4.47Å; M938-F950 HydrophobicContact CG-CE1 3.69Å; M938-F950 HydrophobicContact CG-CE2 4.43Å; M938-F950 HydrophobicContact CG-CG 4.14Å; M938-F950 HydrophobicContact CG-CZ 4.05Å; M938-F950 WeakPolarHBondContact O-CZ 3.44Å; M938-F950 HydrophobicContact SD-CD1 4.44Å; M938-F950 HydrophobicContact SD-CG 4.28Å; M938-F957 HydrophobicContact CE-CD2 4.33Å; M938-F957 HydrophobicContact CE-CE2 3.94Å; M938-F957 HydrophobicContact CG-CE2 3.99Å; M938-F957 HydrophobicContact CG-CZ 4.45Å
939	R	93.9	Very high	92.1	Very high	129 Å²	129	37.6 Å²	37.6	49%	0.487	20%	0.196	S	C	.	.	H	α-helix	trans	-57.9	-48.1	174.3	-172.7	178.4	-68.9	121.1	5	111.5	E935 T936 L941 H942 D943	E935-R939 PolarHBondContact O-N 3.42Å; E935-R939 IonicContact OE1-CZ 2.74Å; E935-R939 IonicContact OE1-NH1 4Å; E935-R939 PolarHBondContact OE1-NH1 3.41Å; E935-R939 IonicContact OE1-NH2 3.45Å; E935-R939 PolarHBondContact OE1-NH2 3.47Å; T936-R939 PolarHBondContact O-N 3.33Å; R939-L941 PolarHBondContact O-N 3.19Å; R939-H942 WeakPolarHBondContact O-CB 3.46Å; R939-H942 PolarHBondContact O-N 3.07Å; R939-H942 VanDerWaalsContact O-N 3.13Å; R939-D943 VanDerWaalsContact O-CG 3.29Å; R939-D943 PolarHBondContact O-N 2.87Å
940	L	92.8	Very high	92.2	Very high	25 Å²	25	39.5 Å²	39.5	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-41.3	176.9	-70.2	168.5	0	0	0	112.7	P925 T936 A937 M938 D943 Q944	P925-L940 HydrophobicContact CG-CB 3.98Å; T936-L940 VanDerWaalsContact O-CG 3.3Å; T936-L940 WeakPolarHBondContact O-CG 3.4Å; T936-L940 PolarHBondContact O-N 3.27Å; A937-L940 PolarHBondContact O-N 3.42Å; M938-L940 PolarHBondContact O-N 2.97Å; L940-D943 PolarHBondContact O-N 2.93Å; L940-Q944 WeakPolarHBondContact O-CB 3.47Å; L940-Q944 WeakPolarHBondContact O-CG 3.49Å; L940-Q944 PolarHBondContact O-N 3.42Å
941	L	93.6	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-30.8	175.7	-72.2	169.9	0	0	0	113.1	P925 A937 M938 R939 V945 G946 V947 F950 F957 P1035	P925-L941 HydrophobicContact CB-CD1 4.41Å; P925-L941 HydrophobicContact CB-CD2 3.99Å; P925-L941 HydrophobicContact CB-CG 3.87Å; P925-L941 HydrophobicContact CG-CD2 3.83Å; P925-L941 HydrophobicContact CG-CG 4.01Å; A937-L941 WeakPolarHBondContact O-CG 3.26Å; A937-L941 PolarHBondContact O-N 2.74Å; M938-L941 PolarHBondContact O-N 3.23Å; R939-L941 PolarHBondContact O-N 3.19Å; L941-V945 HydrophobicContact CB-CG2 4.45Å; L941-V945 HydrophobicContact CD2-CG2 4.01Å; L941-V945 WeakPolarHBondContact O-CG2 3.31Å; L941-V945 PolarHBondContact O-N 3Å; L941-V945 VanDerWaalsContact O-N 3.16Å; L941-G946 PolarHBondContact O-N 2.64Å; L941-V947 HydrophobicContact CB-CB 4.35Å; L941-V947 HydrophobicContact CB-CG2 4.41Å; L941-V947 PolarHBondContact O-N 2.93Å; L941-F950 HydrophobicContact CB-CE1 4.11Å; L941-F950 HydrophobicContact CB-CZ 4.5Å; L941-F950 HydrophobicContact CD1-CE1 4.25Å; L941-F957 HydrophobicContact CD1-CE1 3.99Å; L941-F957 HydrophobicContact CD1-CZ 3.74Å; L941-P1035 HydrophobicContact CD2-CB 3.74Å
942	H	94.2	Very high	92.3	Very high	61 Å²	61	46.9 Å²	46.9	28%	0.282	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-51.2	172	-165.7	87	0	0	0	110.8	M938 R939 G946 V947 K1209	M938-H942 WeakPolarHBondContact O-CB 3.45Å; M938-H942 PolarHBondContact O-N 2.98Å; R939-H942 WeakPolarHBondContact O-CB 3.46Å; R939-H942 PolarHBondContact O-N 3.07Å; R939-H942 VanDerWaalsContact O-N 3.13Å; H942-G946 WeakPolarHBondContact O-CA 3.13Å; H942-G946 PolarHBondContact O-N 2.67Å; H942-V947 PolarHBondContact ND1-O 3.43Å; H942-K1209 PolarHBondContact CE1-NZ 2.89Å; H942-K1209 WeakPolarHBondContact NE2-CE 3.34Å; H942-K1209 PolarHBondContact NE2-NZ 3.18Å
943	D	92.4	Very high	92.4	Very high	74 Å²	74	45.4 Å²	45.4	40%	0.396	23%	0.23	S	C	.	.	H	α-helix	trans	-75.8	-32.4	-173.4	-58.7	-21.7	0	0	0	113	R939 L940 V1211 I1212	R939-D943 VanDerWaalsContact O-CG 3.29Å; R939-D943 PolarHBondContact O-N 2.87Å; L940-D943 PolarHBondContact O-N 2.93Å; D943-V1211 WeakPolarHBondContact O-CB 3.42Å; D943-I1212 HydrophobicContact CB-CD1 4.24Å; D943-I1212 PolarHBondContact O-N 3.34Å
944	Q	91.7	Very high	92.3	Very high	7 Å²	7	50.9 Å²	50.9	3%	0.033	25%	0.248	C	C	.	.	H	α-helix	trans	-83.6	-40.7	-178.8	-67	172.5	13.4	0	0	113.2	Q923 L940 G1213 R1215	Q923-Q944 PolarHBondContact O-NE2 3.07Å; L940-Q944 WeakPolarHBondContact O-CB 3.47Å; L940-Q944 WeakPolarHBondContact O-CG 3.49Å; L940-Q944 PolarHBondContact O-N 3.42Å; Q944-G1213 CarbonylContact O-C 3.58Å; Q944-G1213 WeakPolarHBondContact O-CA 3.4Å; Q944-G1213 PolarHBondContact O-N 3.4Å; Q944-R1215 HydrophobicContact CG-CG 4.31Å
945	V	91.2	Very high	92.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-135.6	6.5	-169.8	-68.5	0	0	0	0	114.5	L941 V947 L1185 T1205 L1214	L941-V945 HydrophobicContact CB-CG2 4.45Å; L941-V945 HydrophobicContact CD2-CG2 4.01Å; L941-V945 WeakPolarHBondContact O-CG2 3.31Å; L941-V945 PolarHBondContact O-N 3Å; L941-V945 VanDerWaalsContact O-N 3.16Å; V945-V947 HydrophobicContact CG2-CG2 4Å; V945-L1185 HydrophobicContact CB-CB 4.32Å; V945-L1185 HydrophobicContact CB-CD1 4.29Å; V945-L1185 HydrophobicContact CG1-CD1 4.09Å; V945-T1205 VanDerWaalsContact O-CG2 3.24Å; V945-T1205 WeakPolarHBondContact O-CG2 3.46Å; V945-L1214 HydrophobicContact CG1-CB 4.2Å; V945-L1214 HydrophobicContact CG1-CD1 3.96Å
946	G	91.9	Very high	92	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.			trans	75.2	27.1	168.7	0	0	0	0	0	114.8	L941 H942 T1205 E1206	L941-G946 PolarHBondContact O-N 2.64Å; H942-G946 WeakPolarHBondContact O-CA 3.13Å; H942-G946 PolarHBondContact O-N 2.67Å; G946-T1205 VanDerWaalsContact O-CA 3.25Å; G946-T1205 WeakPolarHBondContact O-CA 3.5Å; G946-E1206 PolarHBondContact O-N 2.97Å
947	V	93.7	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-71.9	127.7	178.7	175.7	0	0	0	0	110.8	L941 H942 V945 F950 Y953 V1204 T1205	L941-V947 HydrophobicContact CB-CB 4.35Å; L941-V947 HydrophobicContact CB-CG2 4.41Å; L941-V947 PolarHBondContact O-N 2.93Å; H942-V947 PolarHBondContact ND1-O 3.43Å; V945-V947 HydrophobicContact CG2-CG2 4Å; V947-F950 HydrophobicContact CB-CE1 4.03Å; V947-F950 HydrophobicContact CB-CZ 3.92Å; V947-F950 HydrophobicContact CG1-CD1 3.68Å; V947-F950 HydrophobicContact CG1-CD2 4.17Å; V947-F950 HydrophobicContact CG1-CE1 3.37Å; V947-F950 HydrophobicContact CG1-CE2 3.89Å; V947-F950 HydrophobicContact CG1-CG 4.07Å; V947-F950 HydrophobicContact CG1-CZ 3.49Å; V947-F950 VanDerWaalsContact CG1-CZ 3.49Å; V947-Y953 HydrophobicContact CG1-CD2 4.11Å; V947-Y953 HydrophobicContact CG1-CE2 3.86Å; V947-Y953 HydrophobicContact CG2-CE2 3.82Å; V947-V1204 HydrophobicContact CG1-CB 4.17Å; V947-V1204 HydrophobicContact CG2-CG2 4.12Å; V947-T1205 HydrophobicContact CG2-CG2 3.97Å
948	V	92.9	Very high	91.9	Very high	69 Å²	69	50.1 Å²	50.1	42%	0.418	25%	0.253	S	S	.	.			trans	-119	-41.6	177.8	-179.5	0	0	0	0	111.1	V1204 E1206	V948-V1204 PolarHBondContact N-O 3.21Å; V948-E1206 HydrophobicContact CG2-CB 3.92Å
949	N	93.1	Very high	91.6	Very high	50 Å²	50	52 Å²	52	27%	0.267	26%	0.261	S	S	.	.			trans	-94.4	116.9	173.2	-179.9	5.8	0	0	0	110.3	D951 I1198 V1204	N949-D951 PolarHBondContact OD1-N 3.46Å; N949-I1198 HydrophobicContact CB-CD1 4.34Å; N949-V1204 PolarHBondContact N-O 2.8Å; N949-V1204 VanDerWaalsContact N-O 3.09Å; N949-V1204 VanDerWaalsContact O-CB 3.27Å; N949-V1204 WeakPolarHBondContact O-CB 3.17Å; N949-V1204 WeakPolarHBondContact O-CG1 3.38Å
950	F	92.9	Very high	91.3	Very high	40 Å²	40	46.7 Å²	46.7	18%	0.175	24%	0.243	C	C	.	.			trans	-100.2	-2.9	-178.2	-71.7	-85.4	0	0	0	114.5	M938 L941 V947 Y953 K954	M938-F950 HydrophobicContact CB-CD1 4.35Å; M938-F950 HydrophobicContact CB-CE1 3.82Å; M938-F950 HydrophobicContact CB-CE2 4.22Å; M938-F950 HydrophobicContact CB-CZ 3.74Å; M938-F950 HydrophobicContact CE-CB 4.23Å; M938-F950 HydrophobicContact CE-CD1 4.47Å; M938-F950 HydrophobicContact CE-CG 4.37Å; M938-F950 HydrophobicContact CG-CD1 3.74Å; M938-F950 HydrophobicContact CG-CD2 4.47Å; M938-F950 HydrophobicContact CG-CE1 3.69Å; M938-F950 HydrophobicContact CG-CE2 4.43Å; M938-F950 HydrophobicContact CG-CG 4.14Å; M938-F950 HydrophobicContact CG-CZ 4.05Å; M938-F950 WeakPolarHBondContact O-CZ 3.44Å; M938-F950 HydrophobicContact SD-CD1 4.44Å; M938-F950 HydrophobicContact SD-CG 4.28Å; L941-F950 HydrophobicContact CB-CE1 4.11Å; L941-F950 HydrophobicContact CB-CZ 4.5Å; L941-F950 HydrophobicContact CD1-CE1 4.25Å; V947-F950 HydrophobicContact CB-CE1 4.03Å; V947-F950 HydrophobicContact CB-CZ 3.92Å; V947-F950 HydrophobicContact CG1-CD1 3.68Å; V947-F950 HydrophobicContact CG1-CD2 4.17Å; V947-F950 HydrophobicContact CG1-CE1 3.37Å; V947-F950 HydrophobicContact CG1-CE2 3.89Å; V947-F950 HydrophobicContact CG1-CG 4.07Å; V947-F950 HydrophobicContact CG1-CZ 3.49Å; V947-F950 VanDerWaalsContact CG1-CZ 3.49Å; F950-Y953 HydrophobicContact CD1-CD2 4.27Å; F950-Y953 WeakPolarHBondContact O-CA 3.42Å; F950-Y953 WeakPolarHBondContact O-CB 3.44Å; F950-Y953 PolarHBondContact O-N 3.33Å; F950-K954 PolarHBondContact O-N 2.82Å
951	D	90.8	Very high	91.1	Very high	125 Å²	125	47.2 Å²	47.2	67%	0.668	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-43.9	-179.1	-71.1	-31.3	0	0	0	113.2	N949 Y953 K954	N949-D951 PolarHBondContact OD1-N 3.46Å; D951-Y953 PolarHBondContact O-N 3.16Å; D951-K954 WeakPolarHBondContact O-CB 3.48Å; D951-K954 PolarHBondContact O-N 3.49Å
952	P	89.1	Confident	90.7	Very high	39 Å²	39	51.3 Å²	51.3	25%	0.253	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.6	175.5	-23.7	37.5	0	0	0	114.2	L1032 V1204	P952-L1032 HydrophobicContact CB-CD1 3.82Å; P952-V1204 HydrophobicContact CB-CG1 3.86Å; P952-V1204 HydrophobicContact CG-CG1 3.63Å
953	Y	91.1	Very high	90.1	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-83	-18.3	176.6	-81.5	-75.9	0	0	0	113.3	V947 F950 D951 S955 L956 F957 L1032 L1036 V1204	V947-Y953 HydrophobicContact CG1-CD2 4.11Å; V947-Y953 HydrophobicContact CG1-CE2 3.86Å; V947-Y953 HydrophobicContact CG2-CE2 3.82Å; F950-Y953 HydrophobicContact CD1-CD2 4.27Å; F950-Y953 WeakPolarHBondContact O-CA 3.42Å; F950-Y953 WeakPolarHBondContact O-CB 3.44Å; F950-Y953 PolarHBondContact O-N 3.33Å; D951-Y953 PolarHBondContact O-N 3.16Å; Y953-S955 VanDerWaalsContact C-N 3.32Å; Y953-S955 PolarHBondContact O-N 3Å; Y953-L956 HydrophobicContact CD1-CD1 4.06Å; Y953-L956 HydrophobicContact CE1-CD1 4.4Å; Y953-L956 PolarHBondContact O-N 2.96Å; Y953-L956 VanDerWaalsContact O-N 3.11Å; Y953-F957 HydrophobicContact CD1-CD1 4.29Å; Y953-F957 AromaticContact CD1-CE1 3.79Å; Y953-F957 HydrophobicContact CD1-CE1 3.79Å; Y953-F957 HydrophobicContact CG-CE1 4.05Å; Y953-F957 WeakPolarHBondContact O-CB 3.18Å; Y953-F957 WeakPolarHBondContact O-CD1 3.14Å; Y953-F957 PolarHBondContact O-N 2.91Å; Y953-L1032 HydrophobicContact CE1-CB 4.39Å; Y953-L1032 VanDerWaalsContact CE1-O 3.3Å; Y953-L1032 WeakPolarHBondContact CE1-O 3.32Å; Y953-L1032 HydrophobicContact CE2-CD2 4.12Å; Y953-L1036 HydrophobicContact CD1-CD1 4.42Å; Y953-L1036 HydrophobicContact CE1-CD1 4.49Å; Y953-V1204 HydrophobicContact CD2-CG1 4.17Å; Y953-V1204 HydrophobicContact CE2-CB 4.06Å; Y953-V1204 HydrophobicContact CE2-CG1 4.04Å; Y953-V1204 HydrophobicContact CE2-CG2 3.89Å
954	K	90.4	Very high	89.5	Confident	154 Å²	154	50 Å²	50	67%	0.67	26%	0.262	S	S	*	.	H	α-helix	trans	-55.1	-44.1	-175.6	-174.4	175.7	-178.9	175.8	0	113	F950 D951 M958	F950-K954 PolarHBondContact O-N 2.82Å; D951-K954 WeakPolarHBondContact O-CB 3.48Å; D951-K954 PolarHBondContact O-N 3.49Å; K954-M958 WeakPolarHBondContact O-CG 3.2Å; K954-M958 PolarHBondContact O-N 3.28Å; K954-M958 VanDerWaalsContact O-N 3.13Å
955	S	89.8	Confident	89.1	Confident	70 Å²	70	54.8 Å²	54.8	49%	0.49	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-42.9	177.7	57.3	0	0	0	0	112.1	Y953 M958 Q959	Y953-S955 VanDerWaalsContact C-N 3.32Å; Y953-S955 PolarHBondContact O-N 3Å; S955-M958 PolarHBondContact O-N 2.77Å; S955-Q959 WeakPolarHBondContact O-CB 3.34Å; S955-Q959 VanDerWaalsContact O-CG 3.29Å; S955-Q959 WeakPolarHBondContact O-CG 3.48Å; S955-Q959 PolarHBondContact O-N 2.85Å
956	L	88.1	Confident	88.8	Confident	23 Å²	23	58.4 Å²	58.4	12%	0.12	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-40.2	176.8	-63.2	174.8	0	0	0	111.8	Y953 Q959 T960 L1032 L1036	Y953-L956 HydrophobicContact CD1-CD1 4.06Å; Y953-L956 HydrophobicContact CE1-CD1 4.4Å; Y953-L956 PolarHBondContact O-N 2.96Å; Y953-L956 VanDerWaalsContact O-N 3.11Å; L956-Q959 PolarHBondContact O-N 2.84Å; L956-T960 VanDerWaalsContact O-CB 3.31Å; L956-T960 WeakPolarHBondContact O-CB 3.27Å; L956-T960 PolarHBondContact O-N 2.86Å; L956-T960 PolarHBondContact O-OG1 3.18Å; L956-L1032 HydrophobicContact CD1-CB 3.94Å; L956-L1036 HydrophobicContact CB-CD1 4Å; L956-L1036 HydrophobicContact CD1-CD1 4.48Å
957	F	92	Very high	88.4	Confident	6 Å²	6	63 Å²	63	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-65.5	-46.4	178.5	-83	28.7	0	0	0	111.3	I929 F934 M938 L941 Y953 T960 L961 L1036	I929-F957 HydrophobicContact CD1-CD1 3.64Å; I929-F957 HydrophobicContact CD1-CD2 4.42Å; I929-F957 HydrophobicContact CD1-CE1 3.38Å; I929-F957 HydrophobicContact CD1-CE2 4.2Å; I929-F957 HydrophobicContact CD1-CG 4.16Å; I929-F957 HydrophobicContact CD1-CZ 3.69Å; I929-F957 HydrophobicContact CG1-CD1 4.3Å; I929-F957 HydrophobicContact CG1-CD2 4.28Å; I929-F957 HydrophobicContact CG1-CE1 4.22Å; I929-F957 HydrophobicContact CG1-CE2 4.19Å; I929-F957 HydrophobicContact CG1-CG 4.33Å; I929-F957 HydrophobicContact CG1-CZ 4.16Å; I929-F957 HydrophobicContact CG2-CB 4.41Å; I929-F957 HydrophobicContact CG2-CG 4.42Å; F934-F957 HydrophobicContact CD1-CB 4.44Å; F934-F957 AromaticContact CD1-CD2 3.58Å; F934-F957 HydrophobicContact CD1-CD2 3.58Å; F934-F957 HydrophobicContact CD1-CE2 4.26Å; F934-F957 HydrophobicContact CD1-CG 4.39Å; F934-F957 HydrophobicContact CE1-CB 3.99Å; F934-F957 HydrophobicContact CE1-CD2 4.01Å; F934-F957 HydrophobicContact CE1-CG 4.41Å; F934-F957 HydrophobicContact CG-CD2 4.37Å; M938-F957 HydrophobicContact CE-CD2 4.33Å; M938-F957 HydrophobicContact CE-CE2 3.94Å; M938-F957 HydrophobicContact CG-CE2 3.99Å; M938-F957 HydrophobicContact CG-CZ 4.45Å; L941-F957 HydrophobicContact CD1-CE1 3.99Å; L941-F957 HydrophobicContact CD1-CZ 3.74Å; Y953-F957 HydrophobicContact CD1-CD1 4.29Å; Y953-F957 AromaticContact CD1-CE1 3.79Å; Y953-F957 HydrophobicContact CD1-CE1 3.79Å; Y953-F957 HydrophobicContact CG-CE1 4.05Å; Y953-F957 WeakPolarHBondContact O-CB 3.18Å; Y953-F957 WeakPolarHBondContact O-CD1 3.14Å; Y953-F957 PolarHBondContact O-N 2.91Å; F957-T960 PolarHBondContact O-N 2.85Å; F957-T960 VanDerWaalsContact O-N 3.16Å; F957-L961 WeakPolarHBondContact O-CB 3.33Å; F957-L961 PolarHBondContact O-N 3.02Å; F957-L1036 HydrophobicContact CE1-CD2 4.39Å
958	M	90.7	Very high	87.9	Confident	111 Å²	111	70.8 Å²	70.8	55%	0.547	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-40.2	177.3	-67.7	-59.5	-68.1	0	0	112.3	F934 K954 S955 T960 S962	F934-M958 HydrophobicContact CZ-SD 4.27Å; K954-M958 WeakPolarHBondContact O-CG 3.2Å; K954-M958 PolarHBondContact O-N 3.28Å; K954-M958 VanDerWaalsContact O-N 3.13Å; S955-M958 PolarHBondContact O-N 2.77Å; M958-T960 PolarHBondContact O-N 2.96Å; M958-S962 PolarHBondContact O-N 2.84Å; M958-S962 VanDerWaalsContact O-N 3.15Å; M958-S962 PolarHBondContact O-OG 3.45Å
959	Q	87.3	Confident	87.4	Confident	105 Å²	105	71.8 Å²	71.8	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-65.9	-24.3	173.2	-74.4	179.4	6.8	0	0	113.5	S955 L956 S962 R963	S955-Q959 WeakPolarHBondContact O-CB 3.34Å; S955-Q959 VanDerWaalsContact O-CG 3.29Å; S955-Q959 WeakPolarHBondContact O-CG 3.48Å; S955-Q959 PolarHBondContact O-N 2.85Å; L956-Q959 PolarHBondContact O-N 2.84Å; Q959-S962 PolarHBondContact O-OG 3.46Å; Q959-R963 WeakPolarHBondContact O-CD 3.48Å; Q959-R963 WeakPolarHBondContact O-CG 3.43Å; Q959-R963 PolarHBondContact O-NE 2.89Å; Q959-R963 VanDerWaalsContact O-NE 3.1Å
960	T	88.1	Confident	86.7	Confident	19 Å²	19	71.5 Å²	71.5	12%	0.117	38%	0.376	C	S	.	.	H	α-helix	trans	-83.3	-48.2	176.2	-59.5	0	0	0	0	110.4	V926 I929 L930 L956 F957 M958 S962 R963	V926-T960 HydrophobicContact CG2-CG2 4Å; I929-T960 HydrophobicContact CB-CG2 4.21Å; I929-T960 HydrophobicContact CG2-CG2 3.55Å; L930-T960 HydrophobicContact CD2-CG2 3.97Å; L930-T960 WeakPolarHBondContact CD2-O 3.26Å; L930-T960 HydrophobicContact CG-CG2 3.94Å; L956-T960 VanDerWaalsContact O-CB 3.31Å; L956-T960 WeakPolarHBondContact O-CB 3.27Å; L956-T960 PolarHBondContact O-N 2.86Å; L956-T960 PolarHBondContact O-OG1 3.18Å; F957-T960 PolarHBondContact O-N 2.85Å; F957-T960 VanDerWaalsContact O-N 3.16Å; M958-T960 PolarHBondContact O-N 2.96Å; T960-S962 VanDerWaalsContact C-N 3.3Å; T960-S962 PolarHBondContact O-N 3.06Å; T960-R963 WeakPolarHBondContact O-CB 3.45Å; T960-R963 PolarHBondContact O-N 3.36Å
961	L	88.7	Confident	86.3	Confident	36 Å²	36	74.4 Å²	74.4	19%	0.188	39%	0.393	C	S	.	.	H	α-helix	trans	-56.9	-40.6	178.4	176.7	62.5	0	0	0	112.4	F934 F957 R963 G964	F934-L961 HydrophobicContact CE1-CD2 4.5Å; F934-L961 HydrophobicContact CE2-CD2 4.3Å; F934-L961 HydrophobicContact CZ-CB 4.37Å; F934-L961 HydrophobicContact CZ-CD2 3.66Å; F957-L961 WeakPolarHBondContact O-CB 3.33Å; F957-L961 PolarHBondContact O-N 3.02Å; L961-R963 PolarHBondContact O-N 2.97Å; L961-R963 VanDerWaalsContact O-N 3.1Å; L961-G964 PolarHBondContact O-N 2.83Å
962	S	85.1	Confident	85.6	Confident	86 Å²	86	74.3 Å²	74.3	60%	0.601	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17	178.8	63.7	0	0	0	0	114.1	M958 Q959 T960	M958-S962 PolarHBondContact O-N 2.84Å; M958-S962 VanDerWaalsContact O-N 3.15Å; M958-S962 PolarHBondContact O-OG 3.45Å; Q959-S962 PolarHBondContact O-OG 3.46Å; T960-S962 VanDerWaalsContact C-N 3.3Å; T960-S962 PolarHBondContact O-N 3.06Å
963	R	80.9	Confident	85.2	Confident	106 Å²	106	77.7 Å²	77.7	40%	0.4	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-16.8	176.9	-58.7	164	176.8	-149.7	-18.8	113.1	L930 Q959 T960 L961 R965 G998	L930-R963 HydrophobicContact CD2-CB 4.42Å; Q959-R963 WeakPolarHBondContact O-CD 3.48Å; Q959-R963 WeakPolarHBondContact O-CG 3.43Å; Q959-R963 PolarHBondContact O-NE 2.89Å; Q959-R963 VanDerWaalsContact O-NE 3.1Å; T960-R963 WeakPolarHBondContact O-CB 3.45Å; T960-R963 PolarHBondContact O-N 3.36Å; L961-R963 PolarHBondContact O-N 2.97Å; L961-R963 VanDerWaalsContact O-N 3.1Å; R963-R965 VanDerWaalsContact C-N 3.3Å; R963-R965 PolarHBondContact O-N 3.32Å; R963-G998 PolarHBondContact NH1-O 2.67Å
964	G	79.4	Confident	84.6	Confident	2 Å²	2	82.2 Å²	82.2	2%	0.021	45%	0.447	C	S	.	.	S	Bend	trans	-80.5	-3.9	-175.2	0	0	0	0	0	115.1	L961 H980	L961-G964 PolarHBondContact O-N 2.83Å; G964-H980 PolarHBondContact O-ND1 3.39Å
965	R	83.9	Confident	83.9	Confident	106 Å²	106	80.1 Å²	80.1	40%	0.4	45%	0.45	S	S	.	.			trans	-142.7	138.6	-175.7	-57.4	-178.2	-172	173.8	1.1	110.5	A931 R963 G979	A931-R965 PolarHBondContact O-NH2 2.78Å; R963-R965 VanDerWaalsContact C-N 3.3Å; R963-R965 PolarHBondContact O-N 3.32Å; R965-G979 WeakPolarHBondContact CA-O 3.3Å
966	T	84	Confident	83.4	Confident	79 Å²	79	80 Å²	80	49%	0.485	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	151.2	164.8	51.8	0	0	0	0	109	R978 G979 P981	T966-R978 CarbonylContact O-C 3.47Å; T966-R978 WeakPolarHBondContact O-CA 3.37Å; T966-G979 PolarHBondContact N-O 3.35Å; T966-G979 PolarHBondContact O-N 3.18Å; T966-G979 WeakPolarHBondContact OG1-CA 3.34Å; T966-G979 PolarHBondContact OG1-O 2.88Å; T966-P981 HydrophobicContact CG2-CG 3.87Å
967	S	84.1	Confident	83.1	Confident	96 Å²	96	84.5 Å²	84.5	67%	0.671	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.3	134	177.6	54.5	0	0	0	0	110.6	L977	S967-L977 CarbonylContact C-O 3.55Å; S967-L977 VanDerWaalsContact CA-O 3.32Å; S967-L977 WeakPolarHBondContact CA-O 3.44Å
968	Y	83.3	Confident	82.7	Confident	163 Å²	163	93.1 Å²	93.1	64%	0.639	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.2	179.2	179.1	-102.1	0	0	0	109.8	C976 L977	Y968-C976 CarbonylContact O-C 3.57Å; Y968-C976 WeakPolarHBondContact O-CA 3.38Å; Y968-L977 PolarHBondContact N-O 2.78Å; Y968-L977 PolarHBondContact O-N 2.93Å
969	L	83.6	Confident	82.3	Confident	91 Å²	91	89.2 Å²	89.2	48%	0.476	49%	0.491	S	S	.	.			trans	-95.1	117.8	175.3	-172.2	85	0	0	0	108.2	C976	L969-C976 VanDerWaalsContact CD1-SG 3.56Å
970	G	77.5	Confident	82.2	Confident	44 Å²	44	86.9 Å²	86.9	45%	0.454	48%	0.48	S	S	.	.	S	Bend	trans	-83.3	-50.2	178.3	0	0	0	0	0	113
971	L	83.8	Confident	82.1	Confident	100 Å²	100	88.1 Å²	88.1	52%	0.524	49%	0.489	S	S	.	.	S	Bend	trans	-134.8	149.5	177.3	-69.6	173.4	0	0	0	110	S973 L974	L971-S973 VanDerWaalsContact C-N 3.25Å; L971-S973 PolarHBondContact O-N 2.79Å; L971-L974 HydrophobicContact CB-CB 4.3Å; L971-L974 HydrophobicContact CB-CD1 4.09Å; L971-L974 HydrophobicContact CB-CG 4.09Å; L971-L974 HydrophobicContact CD1-CD1 3.9Å; L971-L974 HydrophobicContact CD1-CG 4.49Å; L971-L974 HydrophobicContact CG-CD1 4.36Å; L971-L974 PolarHBondContact O-N 2.94Å; L971-L974 VanDerWaalsContact O-N 3.08Å
972	P	76.1	Confident	81.9	Confident	124 Å²	124	89.8 Å²	89.8	81%	0.805	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.8	-176.5	-25.1	35.1	0	0	0	115
973	S	81.9	Confident	81.9	Confident	109 Å²	109	89 Å²	89	76%	0.762	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.7	179	49	0	0	0	0	114.1	L971	L971-S973 VanDerWaalsContact C-N 3.25Å; L971-S973 PolarHBondContact O-N 2.79Å
974	L	78.9	Confident	81.9	Confident	96 Å²	96	85.5 Å²	85.5	50%	0.503	47%	0.469	S	S	.	.	S	Bend	trans	-109.8	147.5	-179.3	-67.7	-175.7	0	0	0	112.1	L971	L971-L974 HydrophobicContact CB-CB 4.3Å; L971-L974 HydrophobicContact CB-CD1 4.09Å; L971-L974 HydrophobicContact CB-CG 4.09Å; L971-L974 HydrophobicContact CD1-CD1 3.9Å; L971-L974 HydrophobicContact CD1-CG 4.49Å; L971-L974 HydrophobicContact CG-CD1 4.36Å; L971-L974 PolarHBondContact O-N 2.94Å; L971-L974 VanDerWaalsContact O-N 3.08Å
975	P	74.8	Confident	81.8	Confident	111 Å²	111	93.9 Å²	93.9	72%	0.721	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-64.4	145.5	175.6	27.4	-34.9	0	0	0	111.9	L977	P975-L977 PolarHBondContact O-N 3.07Å
976	C	79.3	Confident	81.5	Confident	67 Å²	67	96.3 Å²	96.3	45%	0.453	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-57.9	125.7	177.3	-61.8	0	0	0	0	112.4	Y968 L969	Y968-C976 CarbonylContact O-C 3.57Å; Y968-C976 WeakPolarHBondContact O-CA 3.38Å; L969-C976 VanDerWaalsContact CD1-SG 3.56Å
977	L	82.5	Confident	80.7	Confident	117 Å²	117	99.2 Å²	99.2	61%	0.613	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.6	168.1	-62.5	175.7	0	0	0	110	S967 Y968 P975	S967-L977 CarbonylContact C-O 3.55Å; S967-L977 VanDerWaalsContact CA-O 3.32Å; S967-L977 WeakPolarHBondContact CA-O 3.44Å; Y968-L977 PolarHBondContact N-O 2.78Å; Y968-L977 PolarHBondContact O-N 2.93Å; P975-L977 PolarHBondContact O-N 3.07Å
978	R	82.2	Confident	79.5	Confident	188 Å²	188	96.1 Å²	96.1	71%	0.709	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	123.3	-175.6	-63.5	178.2	-177.5	167.7	0.8	111.1	T966	T966-R978 CarbonylContact O-C 3.47Å; T966-R978 WeakPolarHBondContact O-CA 3.37Å
979	G	82.6	Confident	78.5	Confident	28 Å²	28	90.9 Å²	90.9	29%	0.289	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	150.6	174.5	0	0	0	0	0	112.2	R965 T966	R965-G979 WeakPolarHBondContact CA-O 3.3Å; T966-G979 PolarHBondContact N-O 3.35Å; T966-G979 PolarHBondContact O-N 3.18Å; T966-G979 WeakPolarHBondContact OG1-CA 3.34Å; T966-G979 PolarHBondContact OG1-O 2.88Å
980	H	85.8	Confident	77.5	Confident	56 Å²	56	91.2 Å²	91.2	26%	0.259	52%	0.515	S	S	.	.			trans	-122.2	95.1	180	-76	-73.3	0	0	0	110.3	P914 W918 G964	P914-H980 HydrophobicContact CB-CB 4.46Å; W918-H980 HydrophobicContact CH2-CB 3.81Å; W918-H980 AromaticContact CH2-CG 3.98Å; W918-H980 AromaticContact CH2-ND1 3.48Å; W918-H980 WeakPolarHBondContact CH2-ND1 3.37Å; W918-H980 HydrophobicContact CZ2-CB 3.84Å; W918-H980 AromaticContact CZ3-ND1 3.96Å; G964-H980 PolarHBondContact O-ND1 3.39Å
981	P	85.4	Confident	77.1	Confident	45 Å²	45	96.9 Å²	96.9	29%	0.292	53%	0.528	S	S	.	.			trans	-64.1	136.1	-178.9	-22	34	0	0	0	112.5	T966 A996	T966-P981 HydrophobicContact CG2-CG 3.87Å; P981-A996 HydrophobicContact CB-CB 3.79Å; P981-A996 PolarHBondContact O-N 2.86Å
982	Q	85.4	Confident	76.8	Confident	72 Å²	72	98.4 Å²	98.4	34%	0.336	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-116.6	141.5	-177.5	-59.9	-176	12.4	0	0	112	G993 L994	Q982-G993 VanDerWaalsContact OE1-CA 3.31Å; Q982-L994 CarbonylContact C-O 3.56Å; Q982-L994 WeakPolarHBondContact CA-O 3.47Å; Q982-L994 WeakPolarHBondContact CB-O 3.23Å
983	R	83.6	Confident	77	Confident	70 Å²	70	92.8 Å²	92.8	26%	0.264	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-29.5	177.5	62.9	175.4	175.3	-104	10.1	113.7	D927 L994 P995 V997	D927-R983 IonicContact OD1-CZ 3.68Å; D927-R983 IonicContact OD1-NH1 3.64Å; D927-R983 PolarHBondContact OD1-NH1 3.42Å; D927-R983 IonicContact OD1-NH2 2.73Å; D927-R983 PolarHBondContact OD1-NH2 3.36Å; D927-R983 IonicContact OD2-CZ 3.13Å; D927-R983 IonicContact OD2-NH1 3.52Å; D927-R983 IonicContact OD2-NH2 3.84Å; D927-R983 PolarHBondContact OD2-NH2 2.57Å; R983-L994 HydrophobicContact CG-CB 4.06Å; R983-L994 PolarHBondContact N-O 3.23Å; R983-P995 WeakPolarHBondContact CG-O 3.27Å; R983-P995 PolarHBondContact NH1-O 2.83Å; R983-V997 VanDerWaalsContact NH1-CG2 3.33Å
984	N	82.5	Confident	77.2	Confident	31 Å²	31	89.1 Å²	89.1	17%	0.166	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	32.6	-171.3	56.2	-11.8	0	0	0	112.8	K986 D987 C988 Q992 L994	N984-K986 PolarHBondContact O-N 3.35Å; N984-K986 VanDerWaalsContact O-N 3.13Å; N984-D987 PolarHBondContact O-N 2.72Å; N984-D987 VanDerWaalsContact O-N 3.13Å; N984-C988 PolarHBondContact ND2-SG 2.59Å; N984-C988 WeakPolarHBondContact O-CB 3.45Å; N984-C988 PolarHBondContact O-N 2.89Å; N984-C988 PolarHBondContact O-SG 3.27Å; N984-Q992 PolarHBondContact ND2-O 2.96Å; N984-L994 WeakPolarHBondContact ND2-CG 3.3Å; N984-L994 PolarHBondContact OD1-N 3.48Å; N984-L994 PolarHBondContact OD1-O 3.45Å
985	W	77.1	Confident	77.6	Confident	178 Å²	178	84.5 Å²	84.5	67%	0.674	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.7	-173	67.2	-93.5	0	0	0	115.3
986	K	77.4	Confident	78	Confident	158 Å²	158	80.6 Å²	80.6	69%	0.687	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-35	177.1	-67.8	-171.2	176.8	-173.9	0	113.3	N984	N984-K986 PolarHBondContact O-N 3.35Å; N984-K986 VanDerWaalsContact O-N 3.13Å
987	D	66.2	Low	78.1	Confident	139 Å²	139	79 Å²	79	74%	0.743	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-1.7	-170.4	-52.4	-48.6	0	0	0	112.4	N984	N984-D987 PolarHBondContact O-N 2.72Å; N984-D987 VanDerWaalsContact O-N 3.13Å
988	C	59.5	Low	77.7	Confident	31 Å²	31	75.4 Å²	75.4	21%	0.209	40%	0.4	C	S	.	.			trans	-107.6	123.8	-170.9	-74.4	0	0	0	0	114.5	N984 Q992	N984-C988 PolarHBondContact ND2-SG 2.59Å; N984-C988 WeakPolarHBondContact O-CB 3.45Å; N984-C988 PolarHBondContact O-N 2.89Å; N984-C988 PolarHBondContact O-SG 3.27Å; C988-Q992 HydrophobicContact CB-CB 4.46Å; C988-Q992 PolarHBondContact SG-O 3.03Å
989	G	62.8	Low	77.8	Confident	54 Å²	54	67.4 Å²	67.4	56%	0.557	37%	0.372	S	S	*	.			trans	-72	170.7	149.3	0	0	0	0	0	111.6	K991 Q992	G989-K991 PolarHBondContact O-N 3.13Å; G989-Q992 PolarHBondContact O-N 3.4Å; G989-Q992 VanDerWaalsContact O-N 3.11Å
990	A	61.9	Low	78	Confident	97 Å²	97	74.5 Å²	74.5	80%	0.802	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-8	-171.8	0	0	0	0	0	117.4	M917	M917-A990 VanDerWaalsContact SD-O 3.36Å
991	K	69.2	Low	78.1	Confident	164 Å²	164	72.8 Å²	72.8	71%	0.713	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-11.1	-178.1	-64.2	-175.4	179	-179.1	0	115.1	N921 G989	N921-K991 PolarHBondContact ND2-O 3.49Å; G989-K991 PolarHBondContact O-N 3.13Å
992	Q	77.8	Confident	78.3	Confident	132 Å²	132	73.8 Å²	73.8	62%	0.617	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	1.8	-172.4	-69.4	-172.8	-3	0	0	114.7	N984 C988 G989	N984-Q992 PolarHBondContact ND2-O 2.96Å; C988-Q992 HydrophobicContact CB-CB 4.46Å; C988-Q992 PolarHBondContact SG-O 3.03Å; G989-Q992 PolarHBondContact O-N 3.4Å; G989-Q992 VanDerWaalsContact O-N 3.11Å
993	G	81.2	Confident	78.4	Confident	5 Å²	5	73.1 Å²	73.1	5%	0.052	39%	0.389	C	S	.	.			trans	-55.1	141.5	179	0	0	0	0	0	113	Q982	Q982-G993 VanDerWaalsContact OE1-CA 3.31Å
994	L	85.6	Confident	78.7	Confident	32 Å²	32	69.8 Å²	69.8	17%	0.168	38%	0.377	C	S	.	.			trans	-127.5	146.1	175	-68.3	172.9	0	0	0	109.2	N921 Q982 R983 N984	N921-L994 HydrophobicContact CB-CD2 4.02Å; Q982-L994 CarbonylContact C-O 3.56Å; Q982-L994 WeakPolarHBondContact CA-O 3.47Å; Q982-L994 WeakPolarHBondContact CB-O 3.23Å; R983-L994 HydrophobicContact CG-CB 4.06Å; R983-L994 PolarHBondContact N-O 3.23Å; N984-L994 WeakPolarHBondContact ND2-CG 3.3Å; N984-L994 PolarHBondContact OD1-N 3.48Å; N984-L994 PolarHBondContact OD1-O 3.45Å
995	P	87.3	Confident	79.1	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-70.2	151.1	-170.8	29.6	-34.8	0	0	0	112.5	W918 D927 L930 R983	W918-P995 HydrophobicContact CD2-CB 3.81Å; W918-P995 HydrophobicContact CD2-CG 4.03Å; W918-P995 HydrophobicContact CE3-CB 3.77Å; W918-P995 HydrophobicContact CE3-CG 4.13Å; W918-P995 HydrophobicContact CG-CG 4.27Å; W918-P995 HydrophobicContact CH2-CB 3.82Å; W918-P995 HydrophobicContact CZ2-CB 3.86Å; W918-P995 HydrophobicContact CZ3-CB 3.79Å; D927-P995 HydrophobicContact CB-CG 3.96Å; D927-P995 WeakPolarHBondContact OD1-CG 3.42Å; L930-P995 HydrophobicContact CB-CB 3.89Å; L930-P995 HydrophobicContact CB-CG 3.97Å; L930-P995 HydrophobicContact CD1-CB 3.86Å; L930-P995 HydrophobicContact CD1-CG 3.81Å; L930-P995 HydrophobicContact CG-CB 4.42Å; R983-P995 WeakPolarHBondContact CG-O 3.27Å; R983-P995 PolarHBondContact NH1-O 2.83Å
996	A	83.9	Confident	79.7	Confident	29 Å²	29	66.5 Å²	66.5	24%	0.24	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-65.8	134.1	173.9	0	0	0	0	0	111.7	P981	P981-A996 HydrophobicContact CB-CB 3.79Å; P981-A996 PolarHBondContact O-N 2.86Å
997	V	80.2	Confident	80.4	Confident	33 Å²	33	63.3 Å²	63.3	20%	0.2	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-103.1	118.9	-177.8	-177.5	0	0	0	0	109.4	R983 V1038	R983-V997 VanDerWaalsContact NH1-CG2 3.33Å; V997-V1038 HydrophobicContact CG1-CB 4.35Å; V997-V1038 HydrophobicContact CG1-CG2 4.18Å; V997-V1038 HydrophobicContact CG2-CB 4.04Å; V997-V1038 HydrophobicContact CG2-CG2 3.62Å
998	G	73.8	Confident	81.6	Confident	42 Å²	42	57.4 Å²	57.4	43%	0.433	33%	0.328	S	S	.	.			trans	-96.2	8	-177.4	0	0	0	0	0	115.6	R963	R963-G998 PolarHBondContact NH1-O 2.67Å
999	L	83.9	Confident	83.1	Confident	20 Å²	20	61.5 Å²	61.5	11%	0.105	34%	0.344	C	S	.	.			trans	-124.6	119.7	176.3	-177.9	72.5	0	0	0	108.9	D1003 L1004 L1037	L999-D1003 HydrophobicContact CD1-CB 4.22Å; L999-L1004 HydrophobicContact CD1-CD2 3.98Å; L999-L1004 HydrophobicContact CD2-CD2 4.36Å; L999-L1037 HydrophobicContact CD2-CD2 3.85Å; L999-L1037 HydrophobicContact CG-CD2 3.85Å
1000	R	87.3	Confident	84.4	Confident	176 Å²	176	63.9 Å²	63.9	66%	0.664	34%	0.341	S	S	*	.			trans	-111.1	159.6	177.8	-64.1	-177.4	179.7	-173.1	-0.4	111	S1002 D1003	R1000-S1002 WeakPolarHBondContact CB-OG 3.5Å; R1000-S1002 PolarHBondContact O-N 3.35Å; R1000-D1003 PolarHBondContact N-OD2 3.44Å; R1000-D1003 WeakPolarHBondContact O-CB 3.32Å; R1000-D1003 PolarHBondContact O-N 3.26Å
1001	L	88.3	Confident	85.9	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-58	-36.5	176.6	-174.1	61.7	0	0	0	112	D1003 L1004 I1005 L1037 E1044 E1047 A1048 L1051	L1001-D1003 PolarHBondContact O-N 3.25Å; L1001-L1004 PolarHBondContact O-N 3.24Å; L1001-I1005 HydrophobicContact CG-CD1 4.15Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.27Å; L1001-I1005 PolarHBondContact O-N 2.91Å; L1001-L1037 HydrophobicContact CD1-CD1 4.03Å; L1001-E1044 HydrophobicContact CD2-CB 4.3Å; L1001-E1044 HydrophobicContact CD2-CG 4.45Å; L1001-E1047 HydrophobicContact CD2-CB 3.88Å; L1001-A1048 HydrophobicContact CD1-CB 4.45Å; L1001-L1051 HydrophobicContact CD1-CD2 4.3Å
1002	S	89.2	Confident	87	Confident	66 Å²	66	53.5 Å²	53.5	46%	0.462	28%	0.277	S	S	.	.	H	α-helix	trans	-52.7	-39.4	172.3	51.7	0	0	0	0	113.6	R1000 I1005 S1006	R1000-S1002 WeakPolarHBondContact CB-OG 3.5Å; R1000-S1002 PolarHBondContact O-N 3.35Å; S1002-I1005 PolarHBondContact O-N 2.87Å; S1002-S1006 PolarHBondContact O-N 3.3Å
1003	D	88.7	Confident	87.5	Confident	58 Å²	58	53.7 Å²	53.7	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-72.4	-35.8	-174.8	-47.1	-24	0	0	0	110.2	L999 R1000 L1001 R1007	L999-D1003 HydrophobicContact CD1-CB 4.22Å; R1000-D1003 PolarHBondContact N-OD2 3.44Å; R1000-D1003 WeakPolarHBondContact O-CB 3.32Å; R1000-D1003 PolarHBondContact O-N 3.26Å; L1001-D1003 PolarHBondContact O-N 3.25Å; D1003-R1007 VanDerWaalsContact O-CG 3.28Å; D1003-R1007 WeakPolarHBondContact O-CG 3.29Å; D1003-R1007 PolarHBondContact O-N 3.23Å
1004	L	90.1	Very high	88	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.9	-36.4	173.6	-60.7	-168.6	0	0	0	112	L999 L1001 R1007 L1008 I1030 V1034 L1037 L1051	L999-L1004 HydrophobicContact CD1-CD2 3.98Å; L999-L1004 HydrophobicContact CD2-CD2 4.36Å; L1001-L1004 PolarHBondContact O-N 3.24Å; L1004-R1007 PolarHBondContact O-N 2.85Å; L1004-L1008 WeakPolarHBondContact O-CB 3.44Å; L1004-L1008 PolarHBondContact O-N 3.4Å; L1004-I1030 HydrophobicContact CB-CG2 4.31Å; L1004-I1030 HydrophobicContact CD1-CG2 4.48Å; L1004-V1034 HydrophobicContact CD1-CG2 4.02Å; L1004-L1037 HydrophobicContact CD1-CD1 3.89Å; L1004-L1037 HydrophobicContact CD1-CD2 4.11Å; L1004-L1037 HydrophobicContact CD1-CG 4.17Å; L1004-L1051 HydrophobicContact CB-CD2 3.79Å; L1004-L1051 HydrophobicContact CD1-CD2 3.91Å
1005	I	89.4	Confident	88.2	Confident	76 Å²	76	54.1 Å²	54.1	39%	0.39	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-39.7	174.1	-66.1	165.9	0	0	0	110.8	L1001 S1002 L1008 Q1009	L1001-I1005 HydrophobicContact CG-CD1 4.15Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.27Å; L1001-I1005 PolarHBondContact O-N 2.91Å; S1002-I1005 PolarHBondContact O-N 2.87Å; I1005-L1008 WeakPolarHBondContact O-CB 3.47Å; I1005-L1008 PolarHBondContact O-N 3.04Å; I1005-Q1009 PolarHBondContact O-N 2.99Å
1006	S	90.9	Very high	88.2	Confident	63 Å²	63	58 Å²	58	44%	0.441	30%	0.303	S	S	.	.	H	α-helix	trans	-63.3	-44.3	173.1	-177.6	0	0	0	0	112.1	S1002 L1008 Q1009	S1002-S1006 PolarHBondContact O-N 3.3Å; S1006-L1008 VanDerWaalsContact C-N 3.28Å; S1006-L1008 PolarHBondContact O-N 2.94Å; S1006-Q1009 PolarHBondContact O-N 3.49Å
1007	R	91.3	Very high	88.4	Confident	91 Å²	91	60.1 Å²	60.1	34%	0.343	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-34.1	173.7	-69	169.2	-174.9	-162.7	-0.3	112.6	D1003 L1004 Q1009 Q1010 C1011 I1030	D1003-R1007 VanDerWaalsContact O-CG 3.28Å; D1003-R1007 WeakPolarHBondContact O-CG 3.29Å; D1003-R1007 PolarHBondContact O-N 3.23Å; L1004-R1007 PolarHBondContact O-N 2.85Å; R1007-Q1009 VanDerWaalsContact C-N 3.32Å; R1007-Q1009 PolarHBondContact O-N 3.28Å; R1007-Q1010 WeakPolarHBondContact O-CB 3.4Å; R1007-Q1010 PolarHBondContact O-N 3.46Å; R1007-C1011 PolarHBondContact O-N 3.46Å; R1007-C1011 PolarHBondContact O-SG 3.27Å; R1007-I1030 HydrophobicContact CB-CD1 3.78Å; R1007-I1030 HydrophobicContact CB-CG1 3.98Å
1008	L	92.3	Very high	88.6	Confident	15 Å²	15	60.3 Å²	60.3	8%	0.079	33%	0.33	C	S	.	.	H	α-helix	trans	-62.2	-38	177.7	-172.4	70.7	0	0	0	112	L1004 I1005 S1006 Q1010 C1011 Y1012 F1027 I1030 L1051 I1054	L1004-L1008 WeakPolarHBondContact O-CB 3.44Å; L1004-L1008 PolarHBondContact O-N 3.4Å; I1005-L1008 WeakPolarHBondContact O-CB 3.47Å; I1005-L1008 PolarHBondContact O-N 3.04Å; S1006-L1008 VanDerWaalsContact C-N 3.28Å; S1006-L1008 PolarHBondContact O-N 2.94Å; L1008-Q1010 VanDerWaalsContact C-N 3.33Å; L1008-Q1010 PolarHBondContact O-N 3.5Å; L1008-C1011 WeakPolarHBondContact O-CB 3.15Å; L1008-C1011 PolarHBondContact O-N 3.35Å; L1008-C1011 VanDerWaalsContact O-N 3.14Å; L1008-Y1012 HydrophobicContact CD1-CE1 4.25Å; L1008-Y1012 HydrophobicContact CD2-CE2 4.26Å; L1008-Y1012 HydrophobicContact CG-CE1 4.23Å; L1008-Y1012 HydrophobicContact CG-CE2 4.09Å; L1008-Y1012 PolarHBondContact O-N 2.89Å; L1008-Y1012 VanDerWaalsContact O-N 3.11Å; L1008-F1027 HydrophobicContact CD1-CD1 4.1Å; L1008-F1027 HydrophobicContact CD1-CE1 3.65Å; L1008-I1030 HydrophobicContact CB-CD1 4.34Å; L1008-I1030 HydrophobicContact CD1-CD1 4.44Å; L1008-L1051 HydrophobicContact CD1-CD1 4.1Å; L1008-L1051 HydrophobicContact CD2-CD1 3.86Å; L1008-L1051 HydrophobicContact CG-CD1 4.44Å; L1008-I1054 HydrophobicContact CD1-CG2 4.14Å
1009	Q	90.6	Very high	89.3	Confident	118 Å²	118	64.7 Å²	64.7	55%	0.551	33%	0.333	S	S	*	.	H	α-helix	trans	-62	-39.8	176.3	-65.6	178.9	-12.5	0	0	112.1	I1005 S1006 R1007 C1011 Y1012 Q1013	I1005-Q1009 PolarHBondContact O-N 2.99Å; S1006-Q1009 PolarHBondContact O-N 3.49Å; R1007-Q1009 VanDerWaalsContact C-N 3.32Å; R1007-Q1009 PolarHBondContact O-N 3.28Å; Q1009-C1011 VanDerWaalsContact C-N 3.3Å; Q1009-C1011 PolarHBondContact O-N 2.91Å; Q1009-Y1012 PolarHBondContact O-N 2.93Å; Q1009-Q1013 PolarHBondContact O-N 3.41Å; Q1009-Q1013 VanDerWaalsContact O-N 3.09Å
1010	Q	90.1	Very high	89.6	Confident	103 Å²	103	65.5 Å²	65.5	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-37.9	174.4	-59.9	178.1	-4	0	0	111.5	R1007 L1008 Y1012 Q1013 L1014	R1007-Q1010 WeakPolarHBondContact O-CB 3.4Å; R1007-Q1010 PolarHBondContact O-N 3.46Å; L1008-Q1010 VanDerWaalsContact C-N 3.33Å; L1008-Q1010 PolarHBondContact O-N 3.5Å; Q1010-Y1012 VanDerWaalsContact C-N 3.33Å; Q1010-Y1012 PolarHBondContact O-N 2.96Å; Q1010-Q1013 PolarHBondContact O-N 3.23Å; Q1010-L1014 WeakPolarHBondContact O-CG 3.08Å; Q1010-L1014 PolarHBondContact O-N 3.13Å
1011	C	92.1	Very high	89.7	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.014	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-35	176.6	-56.6	0	0	0	0	112.2	R1007 L1008 Q1009 T1015 R1026 F1027 I1030	R1007-C1011 PolarHBondContact O-N 3.46Å; R1007-C1011 PolarHBondContact O-SG 3.27Å; L1008-C1011 WeakPolarHBondContact O-CB 3.15Å; L1008-C1011 PolarHBondContact O-N 3.35Å; L1008-C1011 VanDerWaalsContact O-N 3.14Å; Q1009-C1011 VanDerWaalsContact C-N 3.3Å; Q1009-C1011 PolarHBondContact O-N 2.91Å; C1011-T1015 WeakPolarHBondContact O-CB 3.27Å; C1011-T1015 PolarHBondContact O-N 2.89Å; C1011-T1015 PolarHBondContact O-OG1 3.08Å; C1011-R1026 VanDerWaalsContact SG-CB 3.53Å; C1011-F1027 HydrophobicContact CB-CD1 3.89Å; C1011-F1027 HydrophobicContact CB-CD2 4.08Å; C1011-F1027 HydrophobicContact CB-CE1 3.52Å; C1011-F1027 HydrophobicContact CB-CE2 3.69Å; C1011-F1027 HydrophobicContact CB-CG 4.15Å; C1011-F1027 HydrophobicContact CB-CZ 3.39Å; C1011-I1030 VanDerWaalsContact SG-CD1 3.56Å
1012	Y	92.3	Very high	89.8	Confident	42 Å²	42	65.7 Å²	65.7	17%	0.165	34%	0.344	C	S	.	.	H	α-helix	trans	-68	-38.5	172.5	-63.6	-23.2	0	0	0	112.7	L1008 Q1009 Q1010 T1015 T1016 F1027 Y1058 Q1095 H1098	L1008-Y1012 HydrophobicContact CD1-CE1 4.25Å; L1008-Y1012 HydrophobicContact CD2-CE2 4.26Å; L1008-Y1012 HydrophobicContact CG-CE1 4.23Å; L1008-Y1012 HydrophobicContact CG-CE2 4.09Å; L1008-Y1012 PolarHBondContact O-N 2.89Å; L1008-Y1012 VanDerWaalsContact O-N 3.11Å; Q1009-Y1012 PolarHBondContact O-N 2.93Å; Q1010-Y1012 VanDerWaalsContact C-N 3.33Å; Q1010-Y1012 PolarHBondContact O-N 2.96Å; Y1012-T1015 WeakPolarHBondContact O-CB 3.12Å; Y1012-T1015 PolarHBondContact O-N 3.04Å; Y1012-T1016 PolarHBondContact O-N 2.68Å; Y1012-T1016 PolarHBondContact O-OG1 3.02Å; Y1012-F1027 HydrophobicContact CD1-CE1 4.41Å; Y1012-F1027 AromaticContact CD1-CZ 3.99Å; Y1012-F1027 HydrophobicContact CD1-CZ 3.99Å; Y1012-F1027 HydrophobicContact CE1-CE1 4.2Å; Y1012-F1027 HydrophobicContact CE1-CZ 4.15Å; Y1012-Y1058 AromaticContact CD1-CE1 3.71Å; Y1012-Y1058 HydrophobicContact CD1-CE1 3.71Å; Y1012-Y1058 AromaticContact CD1-CZ 3.83Å; Y1012-Y1058 HydrophobicContact CE1-CD1 4.48Å; Y1012-Y1058 AromaticContact CE1-CE1 3.69Å; Y1012-Y1058 HydrophobicContact CE1-CE1 3.69Å; Y1012-Y1058 AromaticContact CE1-CE2 3.97Å; Y1012-Y1058 HydrophobicContact CE1-CE2 3.97Å; Y1012-Y1058 AromaticContact CE1-CZ 3.39Å; Y1012-Y1058 VanDerWaalsContact CE1-OH 3.23Å; Y1012-Y1058 WeakPolarHBondContact CE1-OH 3.23Å; Y1012-Q1095 HydrophobicContact CE1-CG 4.27Å; Y1012-Q1095 HydrophobicContact CE2-CG 4.06Å; Y1012-H1098 AromaticContact CD1-CE1 3.77Å; Y1012-H1098 AromaticContact CG-CE1 3.95Å; Y1012-H1098 PolarHBondContact O-NE2 3.36Å
1013	Q	90.1	Very high	89.9	Confident	136 Å²	136	62.5 Å²	62.5	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-62	-46.4	174	-68.5	171.9	-5.5	0	0	111.5	Q1009 Q1010 T1015 T1016 A1017	Q1009-Q1013 PolarHBondContact O-N 3.41Å; Q1009-Q1013 VanDerWaalsContact O-N 3.09Å; Q1010-Q1013 PolarHBondContact O-N 3.23Å; Q1013-T1015 VanDerWaalsContact C-N 3.31Å; Q1013-T1015 PolarHBondContact O-N 3.29Å; Q1013-T1016 PolarHBondContact O-N 3.07Å; Q1013-A1017 WeakPolarHBondContact O-CB 3.21Å; Q1013-A1017 PolarHBondContact O-N 3.01Å
1014	L	90.9	Very high	90.1	Very high	36 Å²	36	60.3 Å²	60.3	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-38.9	175.1	-69	172.1	0	0	0	112.5	Q1010 A1017 G1018 R1019 A1023 R1026	Q1010-L1014 WeakPolarHBondContact O-CG 3.08Å; Q1010-L1014 PolarHBondContact O-N 3.13Å; L1014-A1017 PolarHBondContact O-N 3.02Å; L1014-G1018 PolarHBondContact O-N 3.27Å; L1014-R1019 HydrophobicContact CD2-CB 4.37Å; L1014-R1019 PolarHBondContact O-N 2.97Å; L1014-R1019 VanDerWaalsContact O-N 3.14Å; L1014-A1023 HydrophobicContact CB-CB 3.95Å; L1014-R1026 HydrophobicContact CD1-CG 4.06Å
1015	T	89.3	Confident	90.2	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.055	34%	0.339	C	S	.	.	H	α-helix	trans	-62.5	-45.2	175.2	-57.5	0	0	0	0	111.3	C1011 Y1012 Q1013 A1017 G1018 Y1058 L1062 H1098	C1011-T1015 WeakPolarHBondContact O-CB 3.27Å; C1011-T1015 PolarHBondContact O-N 2.89Å; C1011-T1015 PolarHBondContact O-OG1 3.08Å; Y1012-T1015 WeakPolarHBondContact O-CB 3.12Å; Y1012-T1015 PolarHBondContact O-N 3.04Å; Q1013-T1015 VanDerWaalsContact C-N 3.31Å; Q1013-T1015 PolarHBondContact O-N 3.29Å; T1015-A1017 VanDerWaalsContact C-N 3.33Å; T1015-A1017 PolarHBondContact O-N 3.09Å; T1015-G1018 PolarHBondContact O-N 3.19Å; T1015-Y1058 HydrophobicContact CG2-CE1 4.33Å; T1015-L1062 HydrophobicContact CG2-CD1 4.47Å; T1015-L1062 HydrophobicContact CG2-CD2 4.09Å; T1015-H1098 HydrophobicContact CG2-CB 4.49Å
1016	T	88.3	Confident	90.3	Very high	81 Å²	81	70.2 Å²	70.2	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-35.1	176.3	-62.6	0	0	0	0	112.1	Y1012 Q1013 G1018 H1098	Y1012-T1016 PolarHBondContact O-N 2.68Å; Y1012-T1016 PolarHBondContact O-OG1 3.02Å; Q1013-T1016 PolarHBondContact O-N 3.07Å; T1016-G1018 PolarHBondContact O-N 3.49Å; T1016-H1098 PolarHBondContact OG1-CD2 2.96Å; T1016-H1098 PolarHBondContact OG1-NE2 2.86Å
1017	A	87.1	Confident	90.4	Very high	74 Å²	74	67.2 Å²	67.2	61%	0.612	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.7	176.6	0	0	0	0	0	114.4	Q1013 L1014 T1015 R1019	Q1013-A1017 WeakPolarHBondContact O-CB 3.21Å; Q1013-A1017 PolarHBondContact O-N 3.01Å; L1014-A1017 PolarHBondContact O-N 3.02Å; T1015-A1017 VanDerWaalsContact C-N 3.33Å; T1015-A1017 PolarHBondContact O-N 3.09Å; A1017-R1019 VanDerWaalsContact C-N 3.32Å; A1017-R1019 PolarHBondContact O-N 3.46Å
1018	G	83.8	Confident	90.5	Very high	38 Å²	38	64.3 Å²	64.3	39%	0.392	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	4.4	178.4	0	0	0	0	0	115.8	L1014 T1015 T1016 F1020	L1014-G1018 PolarHBondContact O-N 3.27Å; T1015-G1018 PolarHBondContact O-N 3.19Å; T1016-G1018 PolarHBondContact O-N 3.49Å; G1018-F1020 VanDerWaalsContact C-N 3.25Å; G1018-F1020 PolarHBondContact O-N 2.8Å
1019	R	89.6	Confident	90.5	Very high	133 Å²	133	65.8 Å²	65.8	50%	0.502	33%	0.33	S	S	.	.			trans	-81.7	68.2	178	-65.6	178.4	78.9	168	5.6	110.4	L1014 A1017 E1022 A1023	L1014-R1019 HydrophobicContact CD2-CB 4.37Å; L1014-R1019 PolarHBondContact O-N 2.97Å; L1014-R1019 VanDerWaalsContact O-N 3.14Å; A1017-R1019 VanDerWaalsContact C-N 3.32Å; A1017-R1019 PolarHBondContact O-N 3.46Å; R1019-E1022 IonicContact CZ-OE1 2.76Å; R1019-E1022 IonicContact CZ-OE2 3.99Å; R1019-E1022 VanDerWaalsContact NE-CD 3.29Å; R1019-E1022 IonicContact NE-OE1 3.08Å; R1019-E1022 PolarHBondContact NE-OE1 2.81Å; R1019-E1022 IonicContact NE-OE2 3.9Å; R1019-E1022 PolarHBondContact NE-OE2 3.46Å; R1019-E1022 VanDerWaalsContact NE-OE2 3.13Å; R1019-E1022 IonicContact NH1-OE2 3.11Å; R1019-E1022 IonicContact NH2-OE1 3.78Å; R1019-E1022 PolarHBondContact NH2-OE1 2.87Å; R1019-E1022 IonicContact NH2-OE2 3.82Å; R1019-E1022 PolarHBondContact NH2-OE2 2.93Å; R1019-A1023 WeakPolarHBondContact O-CB 3.3Å; R1019-A1023 PolarHBondContact O-N 2.92Å
1020	F	89.6	Confident	90.6	Very high	37 Å²	37	60.3 Å²	60.3	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-67.3	-37.8	-167.6	-60.4	-26.7	0	0	0	114.5	G1018 A1023 V1024 L1062 E1065 V1066	G1018-F1020 VanDerWaalsContact C-N 3.25Å; G1018-F1020 PolarHBondContact O-N 2.8Å; F1020-A1023 PolarHBondContact O-N 2.94Å; F1020-V1024 WeakPolarHBondContact O-CG2 3.4Å; F1020-V1024 PolarHBondContact O-N 2.93Å; F1020-L1062 HydrophobicContact CB-CD2 4.49Å; F1020-L1062 HydrophobicContact CD1-CD2 3.71Å; F1020-L1062 HydrophobicContact CE1-CD2 4.05Å; F1020-L1062 HydrophobicContact CG-CD2 4.1Å; F1020-E1065 HydrophobicContact CD2-CG 3.91Å; F1020-E1065 HydrophobicContact CE2-CG 3.49Å; F1020-E1065 VanDerWaalsContact CE2-CG 3.49Å; F1020-E1065 HydrophobicContact CZ-CG 4.38Å; F1020-V1066 HydrophobicContact CB-CG2 3.76Å; F1020-V1066 HydrophobicContact CD2-CG2 4.42Å
1021	E	89.4	Confident	90.8	Very high	122 Å²	122	55.4 Å²	55.4	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-66.7	-48.4	-178.6	-64.3	-177.7	154.2	0	0	111.1	A1023 V1024 E1025 V1066	E1021-A1023 VanDerWaalsContact C-N 3.33Å; E1021-A1023 PolarHBondContact O-N 2.87Å; E1021-V1024 WeakPolarHBondContact O-CB 3.32Å; E1021-V1024 PolarHBondContact O-N 3.35Å; E1021-V1024 VanDerWaalsContact O-N 3.17Å; E1021-E1025 PolarHBondContact O-N 3.29Å; E1021-E1025 VanDerWaalsContact O-N 3.07Å; E1021-V1066 HydrophobicContact CG-CG1 4.23Å; E1021-V1066 HydrophobicContact CG-CG2 3.99Å; E1021-V1066 WeakPolarHBondContact OE1-CG1 3.17Å
1022	E	90.9	Very high	90.8	Very high	79 Å²	79	55.7 Å²	55.7	37%	0.369	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-37.9	173.3	-68.6	169.9	-124.7	0	0	112.8	R1019 E1025 R1026	R1019-E1022 IonicContact CZ-OE1 2.76Å; R1019-E1022 IonicContact CZ-OE2 3.99Å; R1019-E1022 VanDerWaalsContact NE-CD 3.29Å; R1019-E1022 IonicContact NE-OE1 3.08Å; R1019-E1022 PolarHBondContact NE-OE1 2.81Å; R1019-E1022 IonicContact NE-OE2 3.9Å; R1019-E1022 PolarHBondContact NE-OE2 3.46Å; R1019-E1022 VanDerWaalsContact NE-OE2 3.13Å; R1019-E1022 IonicContact NH1-OE2 3.11Å; R1019-E1022 IonicContact NH2-OE1 3.78Å; R1019-E1022 PolarHBondContact NH2-OE1 2.87Å; R1019-E1022 IonicContact NH2-OE2 3.82Å; R1019-E1022 PolarHBondContact NH2-OE2 2.93Å; E1022-E1025 PolarHBondContact O-N 3.27Å; E1022-R1026 VanDerWaalsContact O-CG 3.27Å; E1022-R1026 WeakPolarHBondContact O-CG 3.36Å; E1022-R1026 PolarHBondContact O-N 3.41Å
1023	A	92.1	Very high	90.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-45.3	174.3	0	0	0	0	0	110.9	L1014 R1019 F1020 E1021 E1025 R1026 F1027 L1062	L1014-A1023 HydrophobicContact CB-CB 3.95Å; R1019-A1023 WeakPolarHBondContact O-CB 3.3Å; R1019-A1023 PolarHBondContact O-N 2.92Å; F1020-A1023 PolarHBondContact O-N 2.94Å; E1021-A1023 VanDerWaalsContact C-N 3.33Å; E1021-A1023 PolarHBondContact O-N 2.87Å; A1023-E1025 PolarHBondContact O-N 2.82Å; A1023-R1026 PolarHBondContact O-N 2.82Å; A1023-F1027 HydrophobicContact CB-CD2 4.41Å; A1023-F1027 HydrophobicContact CB-CE2 4.31Å; A1023-F1027 WeakPolarHBondContact O-CD2 3.49Å; A1023-F1027 PolarHBondContact O-N 3.3Å; A1023-L1062 HydrophobicContact CB-CD1 3.98Å
1024	V	92.3	Very high	90.9	Very high	12 Å²	12	47.4 Å²	47.4	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-43.7	176.8	165.7	0	0	0	0	111.6	F1020 E1021 F1027 R1028 I1059 L1062	F1020-V1024 WeakPolarHBondContact O-CG2 3.4Å; F1020-V1024 PolarHBondContact O-N 2.93Å; E1021-V1024 WeakPolarHBondContact O-CB 3.32Å; E1021-V1024 PolarHBondContact O-N 3.35Å; E1021-V1024 VanDerWaalsContact O-N 3.17Å; V1024-F1027 PolarHBondContact O-N 2.99Å; V1024-R1028 WeakPolarHBondContact O-CB 3.02Å; V1024-R1028 PolarHBondContact O-N 3.44Å; V1024-I1059 HydrophobicContact CG1-CG2 4.17Å; V1024-L1062 HydrophobicContact CG2-CB 3.59Å; V1024-L1062 HydrophobicContact CG2-CD1 4.31Å
1025	E	91.4	Very high	91	Very high	128 Å²	128	45.9 Å²	45.9	60%	0.598	24%	0.239	S	C	*	.	H	α-helix	trans	-63.1	-43	176.1	-68.6	-172.5	161.5	0	0	112.5	E1021 E1022 A1023 R1028 A1029	E1021-E1025 PolarHBondContact O-N 3.29Å; E1021-E1025 VanDerWaalsContact O-N 3.07Å; E1022-E1025 PolarHBondContact O-N 3.27Å; A1023-E1025 PolarHBondContact O-N 2.82Å; E1025-R1028 PolarHBondContact O-N 3.11Å; E1025-A1029 WeakPolarHBondContact O-CB 3.48Å; E1025-A1029 PolarHBondContact O-N 3.35Å
1026	R	91.8	Very high	91.1	Very high	156 Å²	156	45.8 Å²	45.8	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-67.7	-40.4	178	-65	-69.1	-179.5	169.7	0	112.2	C1011 L1014 E1022 A1023 R1028 A1029 I1030	C1011-R1026 VanDerWaalsContact SG-CB 3.53Å; L1014-R1026 HydrophobicContact CD1-CG 4.06Å; E1022-R1026 VanDerWaalsContact O-CG 3.27Å; E1022-R1026 WeakPolarHBondContact O-CG 3.36Å; E1022-R1026 PolarHBondContact O-N 3.41Å; A1023-R1026 PolarHBondContact O-N 2.82Å; R1026-R1028 VanDerWaalsContact C-N 3.33Å; R1026-R1028 PolarHBondContact O-N 3.27Å; R1026-A1029 PolarHBondContact O-N 2.99Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.25Å; R1026-I1030 PolarHBondContact O-N 2.78Å
1027	F	94.1	Very high	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-39.8	171.2	-77.8	-66.2	0	0	0	111.9	L1008 C1011 Y1012 A1023 V1024 I1030 L1031 Y1058 I1059 L1062	L1008-F1027 HydrophobicContact CD1-CD1 4.1Å; L1008-F1027 HydrophobicContact CD1-CE1 3.65Å; C1011-F1027 HydrophobicContact CB-CD1 3.89Å; C1011-F1027 HydrophobicContact CB-CD2 4.08Å; C1011-F1027 HydrophobicContact CB-CE1 3.52Å; C1011-F1027 HydrophobicContact CB-CE2 3.69Å; C1011-F1027 HydrophobicContact CB-CG 4.15Å; C1011-F1027 HydrophobicContact CB-CZ 3.39Å; Y1012-F1027 HydrophobicContact CD1-CE1 4.41Å; Y1012-F1027 AromaticContact CD1-CZ 3.99Å; Y1012-F1027 HydrophobicContact CD1-CZ 3.99Å; Y1012-F1027 HydrophobicContact CE1-CE1 4.2Å; Y1012-F1027 HydrophobicContact CE1-CZ 4.15Å; A1023-F1027 HydrophobicContact CB-CD2 4.41Å; A1023-F1027 HydrophobicContact CB-CE2 4.31Å; A1023-F1027 WeakPolarHBondContact O-CD2 3.49Å; A1023-F1027 PolarHBondContact O-N 3.3Å; V1024-F1027 PolarHBondContact O-N 2.99Å; F1027-I1030 PolarHBondContact O-N 2.8Å; F1027-L1031 WeakPolarHBondContact O-CB 3.3Å; F1027-L1031 PolarHBondContact O-N 2.91Å; F1027-Y1058 HydrophobicContact CD2-CD1 4.47Å; F1027-Y1058 AromaticContact CE1-CD1 3.98Å; F1027-Y1058 HydrophobicContact CE1-CD1 3.98Å; F1027-Y1058 AromaticContact CE1-CG 3.96Å; F1027-Y1058 HydrophobicContact CE1-CG 3.96Å; F1027-Y1058 AromaticContact CE2-CD1 3.47Å; F1027-Y1058 HydrophobicContact CE2-CD1 3.47Å; F1027-Y1058 VanDerWaalsContact CE2-CD1 3.47Å; F1027-Y1058 HydrophobicContact CE2-CE1 4.35Å; F1027-Y1058 AromaticContact CE2-CG 3.95Å; F1027-Y1058 HydrophobicContact CE2-CG 3.95Å; F1027-Y1058 AromaticContact CZ-CD1 3.16Å; F1027-Y1058 HydrophobicContact CZ-CD1 3.16Å; F1027-Y1058 AromaticContact CZ-CE1 3.76Å; F1027-Y1058 HydrophobicContact CZ-CE1 3.76Å; F1027-Y1058 AromaticContact CZ-CG 3.58Å; F1027-Y1058 HydrophobicContact CZ-CG 3.58Å; F1027-I1059 HydrophobicContact CB-CD1 3.99Å; F1027-I1059 HydrophobicContact CB-CG1 3.68Å; F1027-L1062 HydrophobicContact CD2-CD1 4.24Å; F1027-L1062 HydrophobicContact CE2-CD1 3.97Å
1028	R	93.4	Very high	91.4	Very high	30 Å²	30	39.5 Å²	39.5	11%	0.113	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-42.3	176.1	-171.3	179.3	-63.6	123	5.9	111.3	V1024 E1025 R1026 I1030 L1031 L1032 I1059 V1201 Q1203	V1024-R1028 WeakPolarHBondContact O-CB 3.02Å; V1024-R1028 PolarHBondContact O-N 3.44Å; E1025-R1028 PolarHBondContact O-N 3.11Å; R1026-R1028 VanDerWaalsContact C-N 3.33Å; R1026-R1028 PolarHBondContact O-N 3.27Å; R1028-I1030 VanDerWaalsContact C-N 3.32Å; R1028-I1030 PolarHBondContact O-N 2.34Å; R1028-L1031 PolarHBondContact O-N 3.27Å; R1028-L1031 VanDerWaalsContact O-N 3.17Å; R1028-L1032 HydrophobicContact CG-CD1 4.12Å; R1028-L1032 HydrophobicContact CG-CG 4.32Å; R1028-L1032 WeakPolarHBondContact O-CG 3.28Å; R1028-L1032 PolarHBondContact O-N 3.41Å; R1028-I1059 HydrophobicContact CB-CD1 4.19Å; R1028-V1201 PolarHBondContact NE-O 2.81Å; R1028-Q1203 VanDerWaalsContact CD-OE1 3.27Å; R1028-Q1203 VanDerWaalsContact CZ-CD 3.43Å; R1028-Q1203 VanDerWaalsContact CZ-OE1 3.26Å
1029	A	91.6	Very high	91.6	Very high	45 Å²	45	37.9 Å²	37.9	37%	0.372	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-37.7	175.9	0	0	0	0	0	112.7	E1025 R1026 S1033	E1025-A1029 WeakPolarHBondContact O-CB 3.48Å; E1025-A1029 PolarHBondContact O-N 3.35Å; R1026-A1029 PolarHBondContact O-N 2.99Å; A1029-S1033 WeakPolarHBondContact O-CB 3.49Å; A1029-S1033 PolarHBondContact O-N 2.96Å; A1029-S1033 VanDerWaalsContact O-N 3.16Å; A1029-S1033 PolarHBondContact O-OG 2.86Å
1030	I	93	Very high	91.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-50.3	171.2	-66.3	169.2	0	0	0	110.3	L1004 R1007 L1008 C1011 R1026 F1027 R1028 L1032 S1033 V1034 L1051	L1004-I1030 HydrophobicContact CB-CG2 4.31Å; L1004-I1030 HydrophobicContact CD1-CG2 4.48Å; R1007-I1030 HydrophobicContact CB-CD1 3.78Å; R1007-I1030 HydrophobicContact CB-CG1 3.98Å; L1008-I1030 HydrophobicContact CB-CD1 4.34Å; L1008-I1030 HydrophobicContact CD1-CD1 4.44Å; C1011-I1030 VanDerWaalsContact SG-CD1 3.56Å; R1026-I1030 WeakPolarHBondContact O-CG1 3.25Å; R1026-I1030 PolarHBondContact O-N 2.78Å; F1027-I1030 PolarHBondContact O-N 2.8Å; R1028-I1030 VanDerWaalsContact C-N 3.32Å; R1028-I1030 PolarHBondContact O-N 2.34Å; I1030-L1032 VanDerWaalsContact C-N 3.33Å; I1030-L1032 PolarHBondContact O-N 2.93Å; I1030-S1033 WeakPolarHBondContact O-CA 3.36Å; I1030-S1033 WeakPolarHBondContact O-CB 3.32Å; I1030-S1033 PolarHBondContact O-N 2.92Å; I1030-V1034 PolarHBondContact O-N 2.95Å; I1030-L1051 HydrophobicContact CG2-CD1 4.19Å; I1030-L1051 HydrophobicContact CG2-CD2 3.97Å; I1030-L1051 HydrophobicContact CG2-CG 4.15Å
1031	L	93.3	Very high	91.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.2	-43.3	-179.2	-174.2	153.7	0	0	0	112.4	F1027 R1028 S1033 V1034 P1035 C1055 I1059 L1185 V1201 T1202	F1027-L1031 WeakPolarHBondContact O-CB 3.3Å; F1027-L1031 PolarHBondContact O-N 2.91Å; R1028-L1031 PolarHBondContact O-N 3.27Å; R1028-L1031 VanDerWaalsContact O-N 3.17Å; L1031-S1033 VanDerWaalsContact C-N 3.27Å; L1031-S1033 PolarHBondContact O-N 3.25Å; L1031-V1034 PolarHBondContact O-N 3.05Å; L1031-P1035 WeakPolarHBondContact O-CD 3.41Å; L1031-C1055 HydrophobicContact CB-CB 4.07Å; L1031-C1055 HydrophobicContact CD1-CB 4.06Å; L1031-I1059 HydrophobicContact CD1-CD1 4.29Å; L1031-L1185 HydrophobicContact CD2-CD2 3.76Å; L1031-L1185 HydrophobicContact CD2-CG 4.08Å; L1031-V1201 HydrophobicContact CD1-CG1 4.28Å; L1031-T1202 HydrophobicContact CD2-CG2 3.74Å
1032	L	92.8	Very high	91.2	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-71.6	-18.2	176	-64.1	178.7	0	0	0	113.5	P952 Y953 L956 R1028 I1030 V1204	P952-L1032 HydrophobicContact CB-CD1 3.82Å; Y953-L1032 HydrophobicContact CE1-CB 4.39Å; Y953-L1032 VanDerWaalsContact CE1-O 3.3Å; Y953-L1032 WeakPolarHBondContact CE1-O 3.32Å; Y953-L1032 HydrophobicContact CE2-CD2 4.12Å; L956-L1032 HydrophobicContact CD1-CB 3.94Å; R1028-L1032 HydrophobicContact CG-CD1 4.12Å; R1028-L1032 HydrophobicContact CG-CG 4.32Å; R1028-L1032 WeakPolarHBondContact O-CG 3.28Å; R1028-L1032 PolarHBondContact O-N 3.41Å; I1030-L1032 VanDerWaalsContact C-N 3.33Å; I1030-L1032 PolarHBondContact O-N 2.93Å; L1032-V1204 HydrophobicContact CD1-CG1 4.34Å; L1032-V1204 HydrophobicContact CD2-CB 4.36Å; L1032-V1204 HydrophobicContact CD2-CG1 3.95Å; L1032-V1204 HydrophobicContact CD2-CG2 3.44Å; L1032-V1204 VanDerWaalsContact CD2-CG2 3.44Å
1033	S	92.4	Very high	91.2	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-80.9	-20.7	174.1	-58	0	0	0	0	112.9	A1029 I1030 L1031 L1036	A1029-S1033 WeakPolarHBondContact O-CB 3.49Å; A1029-S1033 PolarHBondContact O-N 2.96Å; A1029-S1033 VanDerWaalsContact O-N 3.16Å; A1029-S1033 PolarHBondContact O-OG 2.86Å; I1030-S1033 WeakPolarHBondContact O-CA 3.36Å; I1030-S1033 WeakPolarHBondContact O-CB 3.32Å; I1030-S1033 PolarHBondContact O-N 2.92Å; L1031-S1033 VanDerWaalsContact C-N 3.27Å; L1031-S1033 PolarHBondContact O-N 3.25Å; S1033-L1036 PolarHBondContact O-N 3.07Å; S1033-L1036 VanDerWaalsContact O-N 3.15Å
1034	V	92.9	Very high	91	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-63.6	-43.6	-176.2	-178.3	0	0	0	0	113.3	L1004 I1030 L1031 L1036 L1037 A1048 L1051 I1052 L1214 V1216	L1004-V1034 HydrophobicContact CD1-CG2 4.02Å; I1030-V1034 PolarHBondContact O-N 2.95Å; L1031-V1034 PolarHBondContact O-N 3.05Å; V1034-L1036 PolarHBondContact O-N 2.87Å; V1034-L1037 HydrophobicContact CG1-CD1 4.25Å; V1034-L1037 WeakPolarHBondContact O-CB 3.33Å; V1034-L1037 PolarHBondContact O-N 3.17Å; V1034-L1037 VanDerWaalsContact O-N 3.09Å; V1034-A1048 HydrophobicContact CG1-CB 4.14Å; V1034-L1051 HydrophobicContact CG2-CD2 4.06Å; V1034-I1052 HydrophobicContact CB-CD1 4.2Å; V1034-I1052 HydrophobicContact CB-CG1 4.06Å; V1034-I1052 HydrophobicContact CG1-CD1 3.74Å; V1034-I1052 HydrophobicContact CG1-CG1 3.9Å; V1034-I1052 HydrophobicContact CG2-CG1 4.04Å; V1034-L1214 HydrophobicContact CG1-CD2 4.35Å; V1034-V1216 WeakPolarHBondContact O-CG1 3.24Å
1035	P	92.1	Very high	90.9	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.032	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-62.9	-9.5	174.8	-25	36.7	0	0	0	115.3	L941 L1031 L1185 L1214	L941-P1035 HydrophobicContact CD2-CB 3.74Å; L1031-P1035 WeakPolarHBondContact O-CD 3.41Å; P1035-L1185 HydrophobicContact CG-CD1 3.65Å; P1035-L1185 HydrophobicContact CG-CD2 4.2Å; P1035-L1214 HydrophobicContact CB-CD1 4.23Å; P1035-L1214 HydrophobicContact CG-CD1 4.13Å
1036	L	91	Very high	90.9	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-103.5	5.6	178.5	-53.9	-177.6	0	0	0	112.7	V926 I929 Y953 L956 F957 S1033 V1034	V926-L1036 WeakPolarHBondContact CG2-O 3.19Å; I929-L1036 HydrophobicContact CD1-CD2 3.6Å; Y953-L1036 HydrophobicContact CD1-CD1 4.42Å; Y953-L1036 HydrophobicContact CE1-CD1 4.49Å; L956-L1036 HydrophobicContact CB-CD1 4Å; L956-L1036 HydrophobicContact CD1-CD1 4.48Å; F957-L1036 HydrophobicContact CE1-CD2 4.39Å; S1033-L1036 PolarHBondContact O-N 3.07Å; S1033-L1036 VanDerWaalsContact O-N 3.15Å; V1034-L1036 PolarHBondContact O-N 2.87Å
1037	L	90.7	Very high	90.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.207	C	C	.	.			trans	-76	151.6	171.6	-70.4	176.7	0	0	0	111.7	L999 L1001 L1004 V1034 A1048 V1216	L999-L1037 HydrophobicContact CD2-CD2 3.85Å; L999-L1037 HydrophobicContact CG-CD2 3.85Å; L1001-L1037 HydrophobicContact CD1-CD1 4.03Å; L1004-L1037 HydrophobicContact CD1-CD1 3.89Å; L1004-L1037 HydrophobicContact CD1-CD2 4.11Å; L1004-L1037 HydrophobicContact CD1-CG 4.17Å; V1034-L1037 HydrophobicContact CG1-CD1 4.25Å; V1034-L1037 WeakPolarHBondContact O-CB 3.33Å; V1034-L1037 PolarHBondContact O-N 3.17Å; V1034-L1037 VanDerWaalsContact O-N 3.09Å; L1037-A1048 HydrophobicContact CD1-CB 4.45Å; L1037-V1216 HydrophobicContact CB-CG1 4.44Å
1038	V	90.5	Very high	90.7	Very high	22 Å²	22	39.4 Å²	39.4	13%	0.133	21%	0.207	C	C	.	.			trans	-117	126.8	159.3	-173.3	0	0	0	0	107.8	L924 V926 V997 V1216	L924-V1038 HydrophobicContact CD1-CG1 4.01Å; L924-V1038 HydrophobicContact CD1-CG2 4.12Å; V926-V1038 HydrophobicContact CG1-CG2 3.39Å; V997-V1038 HydrophobicContact CG1-CB 4.35Å; V997-V1038 HydrophobicContact CG1-CG2 4.18Å; V997-V1038 HydrophobicContact CG2-CB 4.04Å; V997-V1038 HydrophobicContact CG2-CG2 3.62Å; V1038-V1216 WeakPolarHBondContact CA-O 3.41Å
1039	V	89.1	Confident	90.6	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	22%	0.223	C	C	.	.			trans	-130.9	141.1	177.7	-68.7	0	0	0	0	110.3	E1044 I1045 V1216 S1217	V1039-E1044 HydrophobicContact CB-CB 3.73Å; V1039-E1044 WeakPolarHBondContact CB-OE2 3.5Å; V1039-E1044 HydrophobicContact CG1-CB 3.83Å; V1039-E1044 HydrophobicContact CG2-CB 4.39Å; V1039-I1045 HydrophobicContact CG2-CG1 3.67Å; V1039-V1216 HydrophobicContact CG2-CB 4.14Å; V1039-V1216 HydrophobicContact CG2-CG2 3.66Å; V1039-V1216 PolarHBondContact N-O 2.81Å; V1039-S1217 WeakPolarHBondContact O-CA 3.44Å; V1039-S1217 WeakPolarHBondContact O-CB 3.22Å; V1039-S1217 PolarHBondContact O-OG 3.38Å
1040	D	84.2	Confident	90.6	Very high	108 Å²	108	46.2 Å²	46.2	58%	0.578	23%	0.232	S	C	*	.			trans	-98.5	-25.1	-173	-66	-45.4	0	0	0	111.9	E1044 L1219	D1040-E1044 PolarHBondContact N-OE2 2.72Å; D1040-L1219 WeakPolarHBondContact O-CD1 3.33Å
1041	N	88.4	Confident	90.6	Very high	90 Å²	90	46.4 Å²	46.4	48%	0.481	23%	0.233	S	C	.	.	S	Bend	trans	-106.1	144.3	-171.6	-65.4	-51.5	0	0	0	113.4	Q1043 E1044 I1045	N1041-Q1043 PolarHBondContact O-N 3.38Å; N1041-E1044 HydrophobicContact CB-CB 4.42Å; N1041-E1044 HydrophobicContact CB-CG 4.1Å; N1041-E1044 PolarHBondContact ND2-OE1 2.82Å; N1041-E1044 PolarHBondContact O-N 2.89Å; N1041-E1044 VanDerWaalsContact O-N 3.15Å; N1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; N1041-I1045 PolarHBondContact O-N 2.96Å
1042	K	87.8	Confident	90.6	Very high	169 Å²	169	46.9 Å²	46.9	74%	0.735	24%	0.235	S	C	*	.	H	α-helix	trans	-59.8	-29.8	174.5	-72.9	-172.8	177.6	-177.8	0	113.5	A1046 L1219	K1042-A1046 PolarHBondContact O-N 3.32Å; K1042-L1219 HydrophobicContact CG-CD1 4.48Å
1043	Q	90.3	Very high	90.6	Very high	138 Å²	138	49.2 Å²	49.2	65%	0.645	25%	0.25	S	S	*	.	H	α-helix	trans	-66.8	-47	174.9	-177.4	179.5	-28.8	0	0	111.4	N1041 I1045 A1046 E1047	N1041-Q1043 PolarHBondContact O-N 3.38Å; Q1043-I1045 VanDerWaalsContact C-N 3.26Å; Q1043-I1045 PolarHBondContact O-N 2.96Å; Q1043-A1046 WeakPolarHBondContact O-CA 3.3Å; Q1043-A1046 WeakPolarHBondContact O-CB 3.49Å; Q1043-A1046 PolarHBondContact O-N 3.25Å; Q1043-E1047 WeakPolarHBondContact CG-OE1 3.33Å; Q1043-E1047 PolarHBondContact NE2-OE1 2.67Å; Q1043-E1047 PolarHBondContact O-N 3.32Å
1044	E	88.8	Confident	90.6	Very high	56 Å²	56	51 Å²	51	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-33.3	177.5	-68.4	161.5	-155.7	0	0	112.3	L1001 V1039 D1040 N1041 E1047 A1048	L1001-E1044 HydrophobicContact CD2-CB 4.3Å; L1001-E1044 HydrophobicContact CD2-CG 4.45Å; V1039-E1044 HydrophobicContact CB-CB 3.73Å; V1039-E1044 WeakPolarHBondContact CB-OE2 3.5Å; V1039-E1044 HydrophobicContact CG1-CB 3.83Å; V1039-E1044 HydrophobicContact CG2-CB 4.39Å; D1040-E1044 PolarHBondContact N-OE2 2.72Å; N1041-E1044 HydrophobicContact CB-CB 4.42Å; N1041-E1044 HydrophobicContact CB-CG 4.1Å; N1041-E1044 PolarHBondContact ND2-OE1 2.82Å; N1041-E1044 PolarHBondContact O-N 2.89Å; N1041-E1044 VanDerWaalsContact O-N 3.15Å; E1044-E1047 PolarHBondContact O-N 3.46Å; E1044-A1048 WeakPolarHBondContact O-CB 3.4Å; E1044-A1048 PolarHBondContact O-N 2.89Å
1045	I	89.9	Confident	90.6	Very high	18 Å²	18	51 Å²	51	9%	0.092	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-43.8	171.8	-60.8	169.9	0	0	0	110.7	V1039 N1041 Q1043 A1048 Q1049 Q1220	V1039-I1045 HydrophobicContact CG2-CG1 3.67Å; N1041-I1045 WeakPolarHBondContact O-CG1 3.38Å; N1041-I1045 PolarHBondContact O-N 2.96Å; Q1043-I1045 VanDerWaalsContact C-N 3.26Å; Q1043-I1045 PolarHBondContact O-N 2.96Å; I1045-A1048 PolarHBondContact O-N 3.08Å; I1045-Q1049 WeakPolarHBondContact O-CG 3.46Å; I1045-Q1049 PolarHBondContact O-N 2.91Å; I1045-Q1049 VanDerWaalsContact O-N 3.08Å; I1045-Q1220 HydrophobicContact CD1-CG 3.88Å
1046	A	90.9	Very high	90.7	Very high	52 Å²	52	53.1 Å²	53.1	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-67.1	-41.2	177.7	0	0	0	0	0	111.7	K1042 Q1043 A1048 Q1049 Q1050	K1042-A1046 PolarHBondContact O-N 3.32Å; Q1043-A1046 WeakPolarHBondContact O-CA 3.3Å; Q1043-A1046 WeakPolarHBondContact O-CB 3.49Å; Q1043-A1046 PolarHBondContact O-N 3.25Å; A1046-A1048 PolarHBondContact O-N 3.35Å; A1046-Q1049 PolarHBondContact O-N 3.17Å; A1046-Q1050 WeakPolarHBondContact O-CB 3.36Å; A1046-Q1050 PolarHBondContact O-N 2.86Å
1047	E	90.5	Very high	90.7	Very high	68 Å²	68	54.2 Å²	54.2	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-39.2	175.2	-69.6	175.3	-163	0	0	111.9	L1001 Q1043 E1044 Q1050 L1051	L1001-E1047 HydrophobicContact CD2-CB 3.88Å; Q1043-E1047 WeakPolarHBondContact CG-OE1 3.33Å; Q1043-E1047 PolarHBondContact NE2-OE1 2.67Å; Q1043-E1047 PolarHBondContact O-N 3.32Å; E1044-E1047 PolarHBondContact O-N 3.46Å; E1047-Q1050 PolarHBondContact O-N 3.05Å; E1047-L1051 WeakPolarHBondContact O-CB 3.43Å; E1047-L1051 PolarHBondContact O-N 3.45Å
1048	A	90.5	Very high	90.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-38.8	173.8	0	0	0	0	0	112.7	L1001 V1034 L1037 E1044 I1045 A1046 L1051 I1052	L1001-A1048 HydrophobicContact CD1-CB 4.45Å; V1034-A1048 HydrophobicContact CG1-CB 4.14Å; L1037-A1048 HydrophobicContact CD1-CB 4.45Å; E1044-A1048 WeakPolarHBondContact O-CB 3.4Å; E1044-A1048 PolarHBondContact O-N 2.89Å; I1045-A1048 PolarHBondContact O-N 3.08Å; A1046-A1048 PolarHBondContact O-N 3.35Å; A1048-L1051 PolarHBondContact O-N 3.43Å; A1048-I1052 PolarHBondContact O-N 3.04Å; A1048-I1052 VanDerWaalsContact O-N 3.16Å
1049	Q	91.6	Very high	91	Very high	96 Å²	96	53.3 Å²	53.3	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-68.2	-37.3	173.4	-71.3	176.3	-4.8	0	0	112.3	I1045 A1046 L1051 I1052 T1053 L1214	I1045-Q1049 WeakPolarHBondContact O-CG 3.46Å; I1045-Q1049 PolarHBondContact O-N 2.91Å; I1045-Q1049 VanDerWaalsContact O-N 3.08Å; A1046-Q1049 PolarHBondContact O-N 3.17Å; Q1049-L1051 VanDerWaalsContact C-N 3.35Å; Q1049-I1052 PolarHBondContact O-N 3.03Å; Q1049-T1053 PolarHBondContact O-N 3.11Å; Q1049-T1053 VanDerWaalsContact O-N 3.12Å; Q1049-T1053 PolarHBondContact O-OG1 3.25Å; Q1049-L1214 HydrophobicContact CG-CD2 4.45Å
1050	Q	91.8	Very high	91.1	Very high	122 Å²	122	53.8 Å²	53.8	57%	0.57	27%	0.269	S	S	*	.	H	α-helix	trans	-64.9	-39.4	173.2	-172.4	177	-1.2	0	0	111.3	A1046 E1047 T1053 I1054	A1046-Q1050 WeakPolarHBondContact O-CB 3.36Å; A1046-Q1050 PolarHBondContact O-N 2.86Å; E1047-Q1050 PolarHBondContact O-N 3.05Å; Q1050-T1053 WeakPolarHBondContact O-CB 3.48Å; Q1050-T1053 PolarHBondContact O-N 2.69Å; Q1050-T1053 VanDerWaalsContact O-N 3.14Å; Q1050-I1054 HydrophobicContact CG-CD1 4.24Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.45Å; Q1050-I1054 PolarHBondContact O-N 2.74Å
1051	L	92.3	Very high	91.4	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-44.9	175.4	-178.2	63	0	0	0	112.2	L1001 L1004 L1008 I1030 V1034 E1047 A1048 Q1049 T1053 I1054 C1055	L1001-L1051 HydrophobicContact CD1-CD2 4.3Å; L1004-L1051 HydrophobicContact CB-CD2 3.79Å; L1004-L1051 HydrophobicContact CD1-CD2 3.91Å; L1008-L1051 HydrophobicContact CD1-CD1 4.1Å; L1008-L1051 HydrophobicContact CD2-CD1 3.86Å; L1008-L1051 HydrophobicContact CG-CD1 4.44Å; I1030-L1051 HydrophobicContact CG2-CD1 4.19Å; I1030-L1051 HydrophobicContact CG2-CD2 3.97Å; I1030-L1051 HydrophobicContact CG2-CG 4.15Å; V1034-L1051 HydrophobicContact CG2-CD2 4.06Å; E1047-L1051 WeakPolarHBondContact O-CB 3.43Å; E1047-L1051 PolarHBondContact O-N 3.45Å; A1048-L1051 PolarHBondContact O-N 3.43Å; Q1049-L1051 VanDerWaalsContact C-N 3.35Å; L1051-T1053 VanDerWaalsContact C-N 3.27Å; L1051-T1053 PolarHBondContact O-N 2.87Å; L1051-I1054 PolarHBondContact O-N 3.42Å; L1051-C1055 PolarHBondContact O-N 3.26Å; L1051-C1055 PolarHBondContact O-SG 2.73Å; L1051-C1055 VanDerWaalsContact O-SG 3.37Å
1052	I	93.4	Very high	91.5	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.046	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-44	172.8	-69.4	172.3	0	0	0	110.7	V1034 A1048 Q1049 C1055 R1056 L1185 L1214	V1034-I1052 HydrophobicContact CB-CD1 4.2Å; V1034-I1052 HydrophobicContact CB-CG1 4.06Å; V1034-I1052 HydrophobicContact CG1-CD1 3.74Å; V1034-I1052 HydrophobicContact CG1-CG1 3.9Å; V1034-I1052 HydrophobicContact CG2-CG1 4.04Å; A1048-I1052 PolarHBondContact O-N 3.04Å; A1048-I1052 VanDerWaalsContact O-N 3.16Å; Q1049-I1052 PolarHBondContact O-N 3.03Å; I1052-C1055 PolarHBondContact O-N 3.19Å; I1052-R1056 PolarHBondContact O-N 3.45Å; I1052-L1185 HydrophobicContact CD1-CD1 4.24Å; I1052-L1185 WeakPolarHBondContact CG2-O 3.37Å; I1052-L1214 HydrophobicContact CD1-CD2 3.63Å
1053	T	92.9	Very high	91.6	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.35	20%	0.197	S	C	.	.	H	α-helix	trans	-61.2	-47.6	179.1	-58.2	0	0	0	0	110.9	Q1049 Q1050 L1051 C1055 R1056 E1057	Q1049-T1053 PolarHBondContact O-N 3.11Å; Q1049-T1053 VanDerWaalsContact O-N 3.12Å; Q1049-T1053 PolarHBondContact O-OG1 3.25Å; Q1050-T1053 WeakPolarHBondContact O-CB 3.48Å; Q1050-T1053 PolarHBondContact O-N 2.69Å; Q1050-T1053 VanDerWaalsContact O-N 3.14Å; L1051-T1053 VanDerWaalsContact C-N 3.27Å; L1051-T1053 PolarHBondContact O-N 2.87Å; T1053-C1055 PolarHBondContact O-N 3.3Å; T1053-R1056 WeakPolarHBondContact O-CB 3.2Å; T1053-R1056 PolarHBondContact O-N 3.35Å; T1053-E1057 VanDerWaalsContact O-CG 3.3Å; T1053-E1057 WeakPolarHBondContact O-CG 3.42Å; T1053-E1057 PolarHBondContact O-N 3.07Å; T1053-E1057 VanDerWaalsContact O-N 3.12Å
1054	I	92.8	Very high	91.6	Very high	41 Å²	41	32.1 Å²	32.1	21%	0.21	17%	0.166	C	C	.	.	H	α-helix	trans	-59	-49.1	175.9	-66.7	164.5	0	0	0	110.8	L1008 Q1050 L1051 R1056 E1057 Y1058	L1008-I1054 HydrophobicContact CD1-CG2 4.14Å; Q1050-I1054 HydrophobicContact CG-CD1 4.24Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.45Å; Q1050-I1054 PolarHBondContact O-N 2.74Å; L1051-I1054 PolarHBondContact O-N 3.42Å; I1054-R1056 VanDerWaalsContact C-N 3.32Å; I1054-R1056 PolarHBondContact O-N 3.49Å; I1054-E1057 PolarHBondContact O-N 3.07Å; I1054-Y1058 HydrophobicContact CG2-CD2 4.1Å; I1054-Y1058 HydrophobicContact CG2-CE2 4.15Å; I1054-Y1058 WeakPolarHBondContact O-CD2 3.5Å; I1054-Y1058 PolarHBondContact O-N 3.11Å; I1054-Y1058 VanDerWaalsContact O-N 3.16Å
1055	C	93.6	Very high	91.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.9	-40.3	178.7	-70.1	0	0	0	0	112.2	L1031 L1051 I1052 T1053 I1059	L1031-C1055 HydrophobicContact CB-CB 4.07Å; L1031-C1055 HydrophobicContact CD1-CB 4.06Å; L1051-C1055 PolarHBondContact O-N 3.26Å; L1051-C1055 PolarHBondContact O-SG 2.73Å; L1051-C1055 VanDerWaalsContact O-SG 3.37Å; I1052-C1055 PolarHBondContact O-N 3.19Å; T1053-C1055 PolarHBondContact O-N 3.3Å; C1055-I1059 WeakPolarHBondContact O-CB 3.21Å; C1055-I1059 WeakPolarHBondContact O-CD1 3.39Å; C1055-I1059 WeakPolarHBondContact O-CG1 3.45Å; C1055-I1059 PolarHBondContact O-N 3.17Å
1056	R	93.4	Very high	91.4	Very high	50 Å²	50	30.1 Å²	30.1	19%	0.189	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-55.9	175	177.3	-166.3	64.2	-136.5	13.4	111.4	I1052 T1053 I1054 Y1058 I1059 V1060 S1186 A1188	I1052-R1056 PolarHBondContact O-N 3.45Å; T1053-R1056 WeakPolarHBondContact O-CB 3.2Å; T1053-R1056 PolarHBondContact O-N 3.35Å; I1054-R1056 VanDerWaalsContact C-N 3.32Å; I1054-R1056 PolarHBondContact O-N 3.49Å; R1056-Y1058 VanDerWaalsContact C-N 3.28Å; R1056-Y1058 PolarHBondContact O-N 3.01Å; R1056-I1059 PolarHBondContact O-N 3.3Å; R1056-V1060 HydrophobicContact CG-CG2 4.25Å; R1056-V1060 WeakPolarHBondContact O-CG2 3.42Å; R1056-V1060 PolarHBondContact O-N 3.1Å; R1056-S1186 WeakPolarHBondContact CD-O 3.35Å; R1056-S1186 PolarHBondContact NH1-O 2.79Å; R1056-A1188 HydrophobicContact CG-CB 4.09Å
1057	E	91.6	Very high	91.2	Very high	29 Å²	29	31.2 Å²	31.2	14%	0.136	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-42	-173.4	-64.4	-66.5	128.7	0	0	111.2	T1053 I1054 G1061 N1093	T1053-E1057 VanDerWaalsContact O-CG 3.3Å; T1053-E1057 WeakPolarHBondContact O-CG 3.42Å; T1053-E1057 PolarHBondContact O-N 3.07Å; T1053-E1057 VanDerWaalsContact O-N 3.12Å; I1054-E1057 PolarHBondContact O-N 3.07Å; E1057-G1061 PolarHBondContact O-N 3.49Å; E1057-N1093 HydrophobicContact CG-CB 4.11Å; E1057-N1093 PolarHBondContact OE2-N 2.89Å
1058	Y	93.2	Very high	91.1	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-44.9	175.6	-85.1	-108.2	0	0	0	112.7	Y1012 T1015 F1027 I1054 R1056 L1062 L1094 Q1095 H1098	Y1012-Y1058 AromaticContact CD1-CE1 3.71Å; Y1012-Y1058 HydrophobicContact CD1-CE1 3.71Å; Y1012-Y1058 AromaticContact CD1-CZ 3.83Å; Y1012-Y1058 HydrophobicContact CE1-CD1 4.48Å; Y1012-Y1058 AromaticContact CE1-CE1 3.69Å; Y1012-Y1058 HydrophobicContact CE1-CE1 3.69Å; Y1012-Y1058 AromaticContact CE1-CE2 3.97Å; Y1012-Y1058 HydrophobicContact CE1-CE2 3.97Å; Y1012-Y1058 AromaticContact CE1-CZ 3.39Å; Y1012-Y1058 VanDerWaalsContact CE1-OH 3.23Å; Y1012-Y1058 WeakPolarHBondContact CE1-OH 3.23Å; T1015-Y1058 HydrophobicContact CG2-CE1 4.33Å; F1027-Y1058 HydrophobicContact CD2-CD1 4.47Å; F1027-Y1058 AromaticContact CE1-CD1 3.98Å; F1027-Y1058 HydrophobicContact CE1-CD1 3.98Å; F1027-Y1058 AromaticContact CE1-CG 3.96Å; F1027-Y1058 HydrophobicContact CE1-CG 3.96Å; F1027-Y1058 AromaticContact CE2-CD1 3.47Å; F1027-Y1058 HydrophobicContact CE2-CD1 3.47Å; F1027-Y1058 VanDerWaalsContact CE2-CD1 3.47Å; F1027-Y1058 HydrophobicContact CE2-CE1 4.35Å; F1027-Y1058 AromaticContact CE2-CG 3.95Å; F1027-Y1058 HydrophobicContact CE2-CG 3.95Å; F1027-Y1058 AromaticContact CZ-CD1 3.16Å; F1027-Y1058 HydrophobicContact CZ-CD1 3.16Å; F1027-Y1058 AromaticContact CZ-CE1 3.76Å; F1027-Y1058 HydrophobicContact CZ-CE1 3.76Å; F1027-Y1058 AromaticContact CZ-CG 3.58Å; F1027-Y1058 HydrophobicContact CZ-CG 3.58Å; I1054-Y1058 HydrophobicContact CG2-CD2 4.1Å; I1054-Y1058 HydrophobicContact CG2-CE2 4.15Å; I1054-Y1058 WeakPolarHBondContact O-CD2 3.5Å; I1054-Y1058 PolarHBondContact O-N 3.11Å; I1054-Y1058 VanDerWaalsContact O-N 3.16Å; R1056-Y1058 VanDerWaalsContact C-N 3.28Å; R1056-Y1058 PolarHBondContact O-N 3.01Å; Y1058-L1062 HydrophobicContact CD1-CD1 4.44Å; Y1058-L1062 VanDerWaalsContact O-CB 3.24Å; Y1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Y1058-L1062 WeakPolarHBondContact O-CG 3.23Å; Y1058-L1062 PolarHBondContact O-N 3.02Å; Y1058-L1094 HydrophobicContact CD1-CD2 4.14Å; Y1058-L1094 HydrophobicContact CD2-CD2 3.64Å; Y1058-L1094 HydrophobicContact CE1-CD2 4.22Å; Y1058-L1094 HydrophobicContact CE2-CB 4.33Å; Y1058-L1094 HydrophobicContact CE2-CD2 3.67Å; Y1058-L1094 HydrophobicContact CG-CD2 3.9Å; Y1058-Q1095 VanDerWaalsContact OH-CB 3.26Å; Y1058-Q1095 WeakPolarHBondContact OH-CB 3.46Å; Y1058-Q1095 WeakPolarHBondContact OH-CG 3.35Å; Y1058-Q1095 PolarHBondContact OH-N 2.88Å; Y1058-H1098 AromaticContact CE1-CE1 3.83Å; Y1058-H1098 AromaticContact CE1-ND1 3.39Å; Y1058-H1098 WeakPolarHBondContact CE1-ND1 3.46Å; Y1058-H1098 AromaticContact CZ-ND1 3.57Å; Y1058-H1098 PolarHBondContact OH-ND1 3.25Å
1059	I	93.3	Very high	90.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-46.8	178.7	-70	163.2	0	0	0	110.8	V1024 F1027 R1028 L1031 C1055 R1056 T1063 V1201	V1024-I1059 HydrophobicContact CG1-CG2 4.17Å; F1027-I1059 HydrophobicContact CB-CD1 3.99Å; F1027-I1059 HydrophobicContact CB-CG1 3.68Å; R1028-I1059 HydrophobicContact CB-CD1 4.19Å; L1031-I1059 HydrophobicContact CD1-CD1 4.29Å; C1055-I1059 WeakPolarHBondContact O-CB 3.21Å; C1055-I1059 WeakPolarHBondContact O-CD1 3.39Å; C1055-I1059 WeakPolarHBondContact O-CG1 3.45Å; C1055-I1059 PolarHBondContact O-N 3.17Å; R1056-I1059 PolarHBondContact O-N 3.3Å; I1059-T1063 WeakPolarHBondContact O-CB 3.05Å; I1059-T1063 PolarHBondContact O-N 3.46Å; I1059-T1063 PolarHBondContact O-OG1 2.94Å; I1059-V1201 HydrophobicContact CB-CG1 4.14Å; I1059-V1201 HydrophobicContact CD1-CG1 4.01Å; I1059-V1201 HydrophobicContact CG2-CB 4.32Å; I1059-V1201 HydrophobicContact CG2-CG1 3.88Å; I1059-V1201 HydrophobicContact CG2-CG2 4.4Å
1060	V	91.6	Very high	90.6	Very high	15 Å²	15	36.4 Å²	36.4	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-49	-179.9	174.3	0	0	0	0	110.6	R1056 M1064 A1168 V1201	R1056-V1060 HydrophobicContact CG-CG2 4.25Å; R1056-V1060 WeakPolarHBondContact O-CG2 3.42Å; R1056-V1060 PolarHBondContact O-N 3.1Å; V1060-M1064 VanDerWaalsContact O-CB 3.3Å; V1060-M1064 WeakPolarHBondContact O-CB 3.43Å; V1060-M1064 PolarHBondContact O-N 2.97Å; V1060-A1168 HydrophobicContact CG2-CB 3.81Å; V1060-V1201 HydrophobicContact CG2-CG2 3.67Å
1061	G	90.1	Very high	90.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-47.3	-179	0	0	0	0	0	113.8	E1057 M1064 E1065 F1089	E1057-G1061 PolarHBondContact O-N 3.49Å; G1061-M1064 PolarHBondContact O-N 3.5Å; G1061-E1065 PolarHBondContact O-N 2.9Å; G1061-F1089 WeakPolarHBondContact O-CE2 3.49Å
1062	L	91	Very high	89.6	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-38.2	179.9	-66	176.9	0	0	0	112.4	T1015 F1020 A1023 V1024 F1027 Y1058 M1064 E1065 V1066 F1089	T1015-L1062 HydrophobicContact CG2-CD1 4.47Å; T1015-L1062 HydrophobicContact CG2-CD2 4.09Å; F1020-L1062 HydrophobicContact CB-CD2 4.49Å; F1020-L1062 HydrophobicContact CD1-CD2 3.71Å; F1020-L1062 HydrophobicContact CE1-CD2 4.05Å; F1020-L1062 HydrophobicContact CG-CD2 4.1Å; A1023-L1062 HydrophobicContact CB-CD1 3.98Å; V1024-L1062 HydrophobicContact CG2-CB 3.59Å; V1024-L1062 HydrophobicContact CG2-CD1 4.31Å; F1027-L1062 HydrophobicContact CD2-CD1 4.24Å; F1027-L1062 HydrophobicContact CE2-CD1 3.97Å; Y1058-L1062 HydrophobicContact CD1-CD1 4.44Å; Y1058-L1062 VanDerWaalsContact O-CB 3.24Å; Y1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Y1058-L1062 WeakPolarHBondContact O-CG 3.23Å; Y1058-L1062 PolarHBondContact O-N 3.02Å; L1062-M1064 VanDerWaalsContact C-N 3.34Å; L1062-E1065 PolarHBondContact O-N 3.38Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.31Å; L1062-V1066 PolarHBondContact O-N 2.9Å; L1062-F1089 HydrophobicContact CD2-CZ 4.25Å
1063	T	91	Very high	89	Confident	44 Å²	44	42.8 Å²	42.8	27%	0.27	21%	0.208	S	C	.	.	H	α-helix	trans	-65.1	-40.5	174.9	-52.5	0	0	0	0	110.8	I1059 E1065 V1066 E1067 F1171	I1059-T1063 WeakPolarHBondContact O-CB 3.05Å; I1059-T1063 PolarHBondContact O-N 3.46Å; I1059-T1063 PolarHBondContact O-OG1 2.94Å; T1063-E1065 VanDerWaalsContact C-N 3.34Å; T1063-E1065 PolarHBondContact O-N 2.96Å; T1063-V1066 PolarHBondContact O-N 3.37Å; T1063-E1067 WeakPolarHBondContact O-CG 3.29Å; T1063-E1067 PolarHBondContact O-N 3.35Å; T1063-F1171 HydrophobicContact CG2-CZ 4.16Å
1064	M	88.9	Confident	88.3	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-40.2	174.4	-177.4	167.7	46	0	0	112.1	V1060 G1061 L1062 R1068 M1085 F1089 L1166 F1171	V1060-M1064 VanDerWaalsContact O-CB 3.3Å; V1060-M1064 WeakPolarHBondContact O-CB 3.43Å; V1060-M1064 PolarHBondContact O-N 2.97Å; G1061-M1064 PolarHBondContact O-N 3.5Å; L1062-M1064 VanDerWaalsContact C-N 3.34Å; M1064-R1068 WeakPolarHBondContact O-CB 3.19Å; M1064-R1068 PolarHBondContact O-N 2.92Å; M1064-M1085 HydrophobicContact CG-CB 4.17Å; M1064-M1085 HydrophobicContact CG-CE 3.76Å; M1064-M1085 HydrophobicContact CG-CG 4.49Å; M1064-M1085 WeakPolarHBondContact O-CE 3.31Å; M1064-M1085 HydrophobicContact SD-CB 4.39Å; M1064-F1089 VanDerWaalsContact CE-CA 3.5Å; M1064-F1089 HydrophobicContact CE-CB 3.74Å; M1064-F1089 HydrophobicContact CE-CD2 4.35Å; M1064-F1089 HydrophobicContact CE-CG 4.28Å; M1064-L1166 HydrophobicContact CE-CD1 4.06Å; M1064-F1171 HydrophobicContact CB-CD1 3.69Å; M1064-F1171 HydrophobicContact CB-CE1 3.68Å; M1064-F1171 HydrophobicContact CB-CG 4.25Å; M1064-F1171 HydrophobicContact CB-CZ 4.22Å; M1064-F1171 HydrophobicContact CG-CB 4.29Å; M1064-F1171 HydrophobicContact CG-CD1 3.84Å; M1064-F1171 HydrophobicContact CG-CE1 4.32Å; M1064-F1171 HydrophobicContact CG-CG 3.99Å; M1064-F1171 HydrophobicContact SD-CB 3.97Å; M1064-F1171 HydrophobicContact SD-CD1 3.93Å; M1064-F1171 HydrophobicContact SD-CG 4.16Å
1065	E	87.1	Confident	87.8	Confident	14 Å²	14	49.8 Å²	49.8	7%	0.065	24%	0.24	C	C	.	.	H	α-helix	trans	-68.8	-35.9	176.3	177.4	59.9	-162.9	0	0	113	F1020 G1061 L1062 T1063 R1068 K1069 F1089	F1020-E1065 HydrophobicContact CD2-CG 3.91Å; F1020-E1065 HydrophobicContact CE2-CG 3.49Å; F1020-E1065 VanDerWaalsContact CE2-CG 3.49Å; F1020-E1065 HydrophobicContact CZ-CG 4.38Å; G1061-E1065 PolarHBondContact O-N 2.9Å; L1062-E1065 PolarHBondContact O-N 3.38Å; T1063-E1065 VanDerWaalsContact C-N 3.34Å; T1063-E1065 PolarHBondContact O-N 2.96Å; E1065-R1068 VanDerWaalsContact CD-NH2 3.25Å; E1065-R1068 IonicContact OE1-CZ 3.21Å; E1065-R1068 IonicContact OE1-NE 2.8Å; E1065-R1068 IonicContact OE1-NH2 3.86Å; E1065-R1068 PolarHBondContact OE1-NH2 2.89Å; E1065-R1068 IonicContact OE2-CZ 3.46Å; E1065-R1068 VanDerWaalsContact OE2-CZ 3.26Å; E1065-R1068 IonicContact OE2-NE 3.36Å; E1065-R1068 PolarHBondContact OE2-NE 3.29Å; E1065-R1068 IonicContact OE2-NH2 3.98Å; E1065-R1068 PolarHBondContact OE2-NH2 3.13Å; E1065-K1069 WeakPolarHBondContact O-CG 3.18Å; E1065-K1069 PolarHBondContact O-N 3.4Å; E1065-K1069 VanDerWaalsContact OE1-CE 3.23Å; E1065-K1069 WeakPolarHBondContact OE1-CE 3.14Å; E1065-F1089 HydrophobicContact CB-CD1 4.01Å; E1065-F1089 HydrophobicContact CB-CE1 3.62Å; E1065-F1089 HydrophobicContact CB-CZ 4.32Å; E1065-F1089 HydrophobicContact CG-CD1 4.49Å; E1065-F1089 HydrophobicContact CG-CE1 3.96Å
1066	V	88.6	Confident	87.2	Confident	18 Å²	18	53.7 Å²	53.7	11%	0.109	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-49.7	172.4	167.3	0	0	0	0	110.6	F1020 E1021 L1062 T1063 R1068 K1069 K1070	F1020-V1066 HydrophobicContact CB-CG2 3.76Å; F1020-V1066 HydrophobicContact CD2-CG2 4.42Å; E1021-V1066 HydrophobicContact CG-CG1 4.23Å; E1021-V1066 HydrophobicContact CG-CG2 3.99Å; E1021-V1066 WeakPolarHBondContact OE1-CG1 3.17Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.31Å; L1062-V1066 PolarHBondContact O-N 2.9Å; T1063-V1066 PolarHBondContact O-N 3.37Å; V1066-R1068 PolarHBondContact O-N 3.35Å; V1066-K1069 PolarHBondContact O-N 2.93Å; V1066-K1070 PolarHBondContact O-N 2.94Å
1067	E	86.1	Confident	86.4	Confident	75 Å²	75	56.3 Å²	56.3	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-38.6	177.8	-69	-57.4	119.5	0	0	112.2	T1063 K1069 K1070 L1071 M1085 F1171	T1063-E1067 WeakPolarHBondContact O-CG 3.29Å; T1063-E1067 PolarHBondContact O-N 3.35Å; E1067-K1069 PolarHBondContact O-N 3.24Å; E1067-K1070 PolarHBondContact O-N 3.14Å; E1067-K1070 WeakPolarHBondContact OE1-CD 3.29Å; E1067-K1070 WeakPolarHBondContact OE1-CE 3.23Å; E1067-K1070 IonicContact OE1-NZ 3.55Å; E1067-K1070 PolarHBondContact OE1-NZ 3.35Å; E1067-L1071 PolarHBondContact O-N 3.26Å; E1067-M1085 HydrophobicContact CB-CE 4.16Å; E1067-F1171 HydrophobicContact CB-CE2 4.32Å; E1067-F1171 HydrophobicContact CG-CE2 4.16Å
1068	R	88.4	Confident	86	Confident	25 Å²	25	57.9 Å²	57.9	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-33.4	174.6	-170.2	-173.5	72.5	78.8	0.5	112.7	M1064 E1065 V1066 I1082 M1085 L1109	M1064-R1068 WeakPolarHBondContact O-CB 3.19Å; M1064-R1068 PolarHBondContact O-N 2.92Å; E1065-R1068 VanDerWaalsContact CD-NH2 3.25Å; E1065-R1068 IonicContact OE1-CZ 3.21Å; E1065-R1068 IonicContact OE1-NE 2.8Å; E1065-R1068 IonicContact OE1-NH2 3.86Å; E1065-R1068 PolarHBondContact OE1-NH2 2.89Å; E1065-R1068 IonicContact OE2-CZ 3.46Å; E1065-R1068 VanDerWaalsContact OE2-CZ 3.26Å; E1065-R1068 IonicContact OE2-NE 3.36Å; E1065-R1068 PolarHBondContact OE2-NE 3.29Å; E1065-R1068 IonicContact OE2-NH2 3.98Å; E1065-R1068 PolarHBondContact OE2-NH2 3.13Å; V1066-R1068 PolarHBondContact O-N 3.35Å; R1068-I1082 WeakPolarHBondContact CD-O 3.37Å; R1068-I1082 HydrophobicContact CG-CB 4.45Å; R1068-I1082 HydrophobicContact CG-CG2 3.99Å; R1068-M1085 HydrophobicContact CB-CB 4.4Å; R1068-M1085 HydrophobicContact CB-CE 4.09Å; R1068-M1085 HydrophobicContact CG-CB 4.15Å; R1068-L1109 VanDerWaalsContact NH1-CD1 3.28Å
1069	K	84.8	Confident	85.4	Confident	124 Å²	124	61.3 Å²	61.3	54%	0.539	30%	0.302	S	S	.	.	H	α-helix	trans	-74.6	-24	176.5	-75	176	-179.6	-178.9	0	113.5	E1065 V1066 E1067	E1065-K1069 WeakPolarHBondContact O-CG 3.18Å; E1065-K1069 PolarHBondContact O-N 3.4Å; E1065-K1069 VanDerWaalsContact OE1-CE 3.23Å; E1065-K1069 WeakPolarHBondContact OE1-CE 3.14Å; V1066-K1069 PolarHBondContact O-N 2.93Å; E1067-K1069 PolarHBondContact O-N 3.24Å
1070	K	85.9	Confident	84.9	Confident	125 Å²	125	63.7 Å²	63.7	54%	0.543	31%	0.312	S	S	.	.	H	α-helix	trans	-80.3	-20.5	178.6	-65.4	173.6	-172.3	169.3	0	113.4	V1066 E1067	V1066-K1070 PolarHBondContact O-N 2.94Å; E1067-K1070 PolarHBondContact O-N 3.14Å; E1067-K1070 WeakPolarHBondContact OE1-CD 3.29Å; E1067-K1070 WeakPolarHBondContact OE1-CE 3.23Å; E1067-K1070 IonicContact OE1-NZ 3.55Å; E1067-K1070 PolarHBondContact OE1-NZ 3.35Å
1071	L	83.8	Confident	84.6	Confident	61 Å²	61	66 Å²	66	32%	0.319	32%	0.319	S	S	.	.	S	Bend	trans	-69.8	133.4	-177.5	-69.8	173.2	0	0	0	112.5	E1067 R1081 I1082 M1085	E1067-L1071 PolarHBondContact O-N 3.26Å; L1071-R1081 HydrophobicContact CD1-CG 4.4Å; L1071-I1082 HydrophobicContact CB-CD1 4.06Å; L1071-I1082 HydrophobicContact CB-CG1 4.04Å; L1071-I1082 HydrophobicContact CD1-CG1 4.09Å; L1071-M1085 HydrophobicContact CD1-SD 3.81Å
1072	P	80.1	Confident	84.4	Confident	64 Å²	64	66.4 Å²	66.4	42%	0.416	32%	0.321	S	S	.	.			trans	-66.4	159.5	172.7	28.4	-34.1	0	0	0	111.6	Q1078	P1072-Q1078 WeakPolarHBondContact O-CB 3.48Å
1073	K	80.9	Confident	84.1	Confident	148 Å²	148	66.4 Å²	66.4	64%	0.643	32%	0.322	S	S	*	.			trans	-115.7	11.3	-170.4	-64.6	173.9	-174.2	160	0	113.8	Q1079 I1082	K1073-Q1079 PolarHBondContact O-NE2 2.84Å; K1073-I1082 HydrophobicContact CG-CD1 3.92Å
1074	E	78.1	Confident	84	Confident	179 Å²	179	64.9 Å²	64.9	84%	0.836	31%	0.312	S	S	*	.	S	Bend	trans	-78.2	-35.5	-166.8	-64.7	173.8	-178.3	0	0	112.7
1075	T	82.9	Confident	83.9	Confident	66 Å²	66	65.2 Å²	65.2	41%	0.405	31%	0.313	S	S	.	.	S	Bend	trans	-101.4	149	-179.4	66.6	0	0	0	0	112.7	D1077 Q1078 Q1079	T1075-D1077 VanDerWaalsContact C-N 3.28Å; T1075-D1077 PolarHBondContact O-N 3.38Å; T1075-Q1078 PolarHBondContact O-N 3.27Å; T1075-Q1078 WeakPolarHBondContact OG1-CB 3.32Å; T1075-Q1078 WeakPolarHBondContact OG1-CG 3.33Å; T1075-Q1078 PolarHBondContact OG1-N 3.08Å; T1075-Q1078 PolarHBondContact OG1-OE1 2.94Å; T1075-Q1079 WeakPolarHBondContact O-CG 3.2Å; T1075-Q1079 PolarHBondContact O-N 3.26Å; T1075-Q1079 VanDerWaalsContact O-N 3.08Å
1076	L	79.8	Confident	83.9	Confident	81 Å²	81	64.8 Å²	64.8	42%	0.424	31%	0.312	S	S	.	.	H	α-helix	trans	-56.8	-40.6	178.8	-170.4	78.4	0	0	0	112.1	Q1079 K1080	L1076-Q1079 WeakPolarHBondContact O-CB 3.43Å; L1076-Q1079 PolarHBondContact O-N 2.92Å; L1076-K1080 WeakPolarHBondContact O-CG 3.28Å; L1076-K1080 PolarHBondContact O-N 2.89Å
1077	D	78.4	Confident	83.8	Confident	105 Å²	105	63.9 Å²	63.9	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-73.1	-30.9	-177.4	-65	-38.8	0	0	0	112.8	T1075 K1080 R1081	T1075-D1077 VanDerWaalsContact C-N 3.28Å; T1075-D1077 PolarHBondContact O-N 3.38Å; D1077-K1080 PolarHBondContact O-N 2.85Å; D1077-K1080 WeakPolarHBondContact OD1-CD 3.36Å; D1077-K1080 WeakPolarHBondContact OD1-CE 3.4Å; D1077-K1080 IonicContact OD1-NZ 3.44Å; D1077-K1080 PolarHBondContact OD1-NZ 2.86Å; D1077-R1081 WeakPolarHBondContact O-CB 3.1Å; D1077-R1081 PolarHBondContact O-N 3.04Å
1078	Q	81.8	Confident	83.9	Confident	63 Å²	63	60.4 Å²	60.4	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-40.7	167.8	-71.4	161.3	-15.4	0	0	111.2	P1072 T1075 R1081 I1082	P1072-Q1078 WeakPolarHBondContact O-CB 3.48Å; T1075-Q1078 PolarHBondContact O-N 3.27Å; T1075-Q1078 WeakPolarHBondContact OG1-CB 3.32Å; T1075-Q1078 WeakPolarHBondContact OG1-CG 3.33Å; T1075-Q1078 PolarHBondContact OG1-N 3.08Å; T1075-Q1078 PolarHBondContact OG1-OE1 2.94Å; Q1078-R1081 PolarHBondContact O-N 3.23Å; Q1078-I1082 VanDerWaalsContact O-CG1 3.32Å; Q1078-I1082 WeakPolarHBondContact O-CG1 3.48Å; Q1078-I1082 PolarHBondContact O-N 3.1Å
1079	Q	80.8	Confident	84	Confident	74 Å²	74	59.7 Å²	59.7	35%	0.346	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-40.2	175.1	-66	178.6	11.9	0	0	112.4	K1073 T1075 L1076 I1082 C1083 L1113	K1073-Q1079 PolarHBondContact O-NE2 2.84Å; T1075-Q1079 WeakPolarHBondContact O-CG 3.2Å; T1075-Q1079 PolarHBondContact O-N 3.26Å; T1075-Q1079 VanDerWaalsContact O-N 3.08Å; L1076-Q1079 WeakPolarHBondContact O-CB 3.43Å; L1076-Q1079 PolarHBondContact O-N 2.92Å; Q1079-I1082 PolarHBondContact O-N 2.9Å; Q1079-C1083 PolarHBondContact O-N 2.87Å; Q1079-C1083 VanDerWaalsContact O-N 3.14Å; Q1079-C1083 PolarHBondContact O-SG 2.86Å; Q1079-L1113 HydrophobicContact CB-CD1 3.98Å
1080	K	83.4	Confident	84.1	Confident	51 Å²	51	53.8 Å²	53.8	22%	0.222	26%	0.262	C	S	.	.	H	α-helix	trans	-57.3	-49.3	169.8	-70.1	176.7	-165.2	160	0	110.7	L1076 D1077 I1082 C1083 E1084 L1156	L1076-K1080 WeakPolarHBondContact O-CG 3.28Å; L1076-K1080 PolarHBondContact O-N 2.89Å; D1077-K1080 PolarHBondContact O-N 2.85Å; D1077-K1080 WeakPolarHBondContact OD1-CD 3.36Å; D1077-K1080 WeakPolarHBondContact OD1-CE 3.4Å; D1077-K1080 IonicContact OD1-NZ 3.44Å; D1077-K1080 PolarHBondContact OD1-NZ 2.86Å; K1080-I1082 VanDerWaalsContact C-N 3.34Å; K1080-I1082 PolarHBondContact O-N 2.97Å; K1080-C1083 WeakPolarHBondContact O-CA 3.4Å; K1080-C1083 WeakPolarHBondContact O-CB 3.16Å; K1080-C1083 PolarHBondContact O-N 3.01Å; K1080-E1084 PolarHBondContact O-N 2.87Å; K1080-L1156 HydrophobicContact CB-CD2 3.49Å; K1080-L1156 VanDerWaalsContact CB-CD2 3.49Å; K1080-L1156 HydrophobicContact CD-CD2 4.31Å; K1080-L1156 HydrophobicContact CG-CD2 3.65Å
1081	R	85.4	Confident	84.1	Confident	63 Å²	63	51 Å²	51	24%	0.238	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-38.8	-179.1	-172.8	60.1	-178.9	159.6	4.8	113.1	L1071 D1077 Q1078 C1083 E1084 M1085 S1170 F1171	L1071-R1081 HydrophobicContact CD1-CG 4.4Å; D1077-R1081 WeakPolarHBondContact O-CB 3.1Å; D1077-R1081 PolarHBondContact O-N 3.04Å; Q1078-R1081 PolarHBondContact O-N 3.23Å; R1081-C1083 VanDerWaalsContact C-N 3.3Å; R1081-C1083 PolarHBondContact O-N 2.9Å; R1081-E1084 WeakPolarHBondContact CD-OE2 3.46Å; R1081-E1084 IonicContact CZ-OE2 3.54Å; R1081-E1084 IonicContact NH1-OE2 2.8Å; R1081-E1084 PolarHBondContact NH1-OE2 2.81Å; R1081-E1084 PolarHBondContact O-N 3.01Å; R1081-M1085 HydrophobicContact CG-SD 4.36Å; R1081-M1085 WeakPolarHBondContact O-CG 3.37Å; R1081-M1085 PolarHBondContact O-N 3.34Å; R1081-S1170 PolarHBondContact NH2-O 2.91Å; R1081-F1171 PolarHBondContact NH2-O 2.74Å
1082	I	86	Confident	84.3	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.046	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-37.6	173.8	-71.4	166.1	0	0	0	111.1	R1068 L1071 K1073 Q1078 Q1079 K1080 A1086	R1068-I1082 WeakPolarHBondContact CD-O 3.37Å; R1068-I1082 HydrophobicContact CG-CB 4.45Å; R1068-I1082 HydrophobicContact CG-CG2 3.99Å; L1071-I1082 HydrophobicContact CB-CD1 4.06Å; L1071-I1082 HydrophobicContact CB-CG1 4.04Å; L1071-I1082 HydrophobicContact CD1-CG1 4.09Å; K1073-I1082 HydrophobicContact CG-CD1 3.92Å; Q1078-I1082 VanDerWaalsContact O-CG1 3.32Å; Q1078-I1082 WeakPolarHBondContact O-CG1 3.48Å; Q1078-I1082 PolarHBondContact O-N 3.1Å; Q1079-I1082 PolarHBondContact O-N 2.9Å; K1080-I1082 VanDerWaalsContact C-N 3.34Å; K1080-I1082 PolarHBondContact O-N 2.97Å; I1082-A1086 WeakPolarHBondContact O-CB 3.23Å; I1082-A1086 PolarHBondContact O-N 2.97Å
1083	C	85.2	Confident	84.6	Confident	4 Å²	4	51 Å²	51	3%	0.027	25%	0.248	C	C	.	.	H	α-helix	trans	-71.2	-43.6	175.2	-63	0	0	0	0	111.8	Q1079 K1080 R1081 M1085 A1086 A1087 F1110 L1156	Q1079-C1083 PolarHBondContact O-N 2.87Å; Q1079-C1083 VanDerWaalsContact O-N 3.14Å; Q1079-C1083 PolarHBondContact O-SG 2.86Å; K1080-C1083 WeakPolarHBondContact O-CA 3.4Å; K1080-C1083 WeakPolarHBondContact O-CB 3.16Å; K1080-C1083 PolarHBondContact O-N 3.01Å; R1081-C1083 VanDerWaalsContact C-N 3.3Å; R1081-C1083 PolarHBondContact O-N 2.9Å; C1083-M1085 PolarHBondContact O-N 2.72Å; C1083-A1086 PolarHBondContact O-N 2.98Å; C1083-A1087 PolarHBondContact O-N 2.96Å; C1083-F1110 HydrophobicContact CB-CD2 4.29Å; C1083-F1110 HydrophobicContact CB-CE2 3.78Å; C1083-F1110 HydrophobicContact CB-CZ 3.93Å; C1083-F1110 WeakPolarHBondContact O-CE2 3.21Å; C1083-F1110 WeakPolarHBondContact O-CZ 3.36Å; C1083-L1156 HydrophobicContact CB-CD1 4.15Å
1084	E	87.3	Confident	85	Confident	13 Å²	13	45 Å²	45	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-54.2	-52	173.7	-73.3	-178.2	173	0	0	111.9	K1080 R1081 A1086 A1087 Y1088 L1156 N1157	K1080-E1084 PolarHBondContact O-N 2.87Å; R1081-E1084 WeakPolarHBondContact CD-OE2 3.46Å; R1081-E1084 IonicContact CZ-OE2 3.54Å; R1081-E1084 IonicContact NH1-OE2 2.8Å; R1081-E1084 PolarHBondContact NH1-OE2 2.81Å; R1081-E1084 PolarHBondContact O-N 3.01Å; E1084-A1086 VanDerWaalsContact C-N 3.31Å; E1084-A1086 PolarHBondContact O-N 3.02Å; E1084-A1087 WeakPolarHBondContact O-CB 3.28Å; E1084-A1087 PolarHBondContact O-N 2.92Å; E1084-A1087 VanDerWaalsContact O-N 3.11Å; E1084-Y1088 HydrophobicContact CB-CE2 3.78Å; E1084-Y1088 VanDerWaalsContact O-CD2 3.24Å; E1084-Y1088 WeakPolarHBondContact O-CD2 3.19Å; E1084-Y1088 PolarHBondContact O-N 2.81Å; E1084-L1156 HydrophobicContact CG-CB 4.16Å; E1084-L1156 HydrophobicContact CG-CD2 4.37Å; E1084-N1157 VanDerWaalsContact OE1-CB 3.31Å; E1084-N1157 WeakPolarHBondContact OE1-CB 3.31Å; E1084-N1157 PolarHBondContact OE1-N 3.49Å; E1084-N1157 PolarHBondContact OE1-ND2 2.76Å
1085	M	87.1	Confident	85.5	Confident	8 Å²	8	40.8 Å²	40.8	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-37.5	179.2	-69.3	175.1	72.4	0	0	112.4	M1064 E1067 R1068 L1071 R1081 C1083 F1089 F1171	M1064-M1085 HydrophobicContact CG-CB 4.17Å; M1064-M1085 HydrophobicContact CG-CE 3.76Å; M1064-M1085 HydrophobicContact CG-CG 4.49Å; M1064-M1085 WeakPolarHBondContact O-CE 3.31Å; M1064-M1085 HydrophobicContact SD-CB 4.39Å; E1067-M1085 HydrophobicContact CB-CE 4.16Å; R1068-M1085 HydrophobicContact CB-CB 4.4Å; R1068-M1085 HydrophobicContact CB-CE 4.09Å; R1068-M1085 HydrophobicContact CG-CB 4.15Å; L1071-M1085 HydrophobicContact CD1-SD 3.81Å; R1081-M1085 HydrophobicContact CG-SD 4.36Å; R1081-M1085 WeakPolarHBondContact O-CG 3.37Å; R1081-M1085 PolarHBondContact O-N 3.34Å; C1083-M1085 PolarHBondContact O-N 2.72Å; M1085-F1089 PolarHBondContact O-N 3.49Å; M1085-F1089 VanDerWaalsContact O-N 3.08Å; M1085-F1171 HydrophobicContact CE-CB 4.45Å; M1085-F1171 HydrophobicContact CE-CD2 3.96Å; M1085-F1171 HydrophobicContact CE-CG 4.35Å
1086	A	86.7	Confident	85.7	Confident	4 Å²	4	41 Å²	41	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-38.3	174.3	0	0	0	0	0	112.3	I1082 C1083 E1084 F1089 A1106 L1109	I1082-A1086 WeakPolarHBondContact O-CB 3.23Å; I1082-A1086 PolarHBondContact O-N 2.97Å; C1083-A1086 PolarHBondContact O-N 2.98Å; E1084-A1086 VanDerWaalsContact C-N 3.31Å; E1084-A1086 PolarHBondContact O-N 3.02Å; A1086-F1089 PolarHBondContact O-N 2.83Å; A1086-A1106 HydrophobicContact CB-CB 4.4Å; A1086-L1109 HydrophobicContact CB-CD1 3.66Å
1087	A	86.7	Confident	86	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-45	175.6	0	0	0	0	0	112.1	C1083 E1084 F1089 T1090 F1110 F1122 Y1158	C1083-A1087 PolarHBondContact O-N 2.96Å; E1084-A1087 WeakPolarHBondContact O-CB 3.28Å; E1084-A1087 PolarHBondContact O-N 2.92Å; E1084-A1087 VanDerWaalsContact O-N 3.11Å; A1087-F1089 VanDerWaalsContact C-N 3.26Å; A1087-F1089 PolarHBondContact O-N 2.88Å; A1087-T1090 WeakPolarHBondContact O-CB 3.45Å; A1087-T1090 PolarHBondContact O-N 3.16Å; A1087-T1090 PolarHBondContact O-OG1 3.35Å; A1087-F1110 HydrophobicContact CB-CE2 3.94Å; A1087-F1110 HydrophobicContact CB-CZ 3.71Å; A1087-F1122 HydrophobicContact CB-CE2 4.43Å; A1087-F1122 HydrophobicContact CB-CZ 3.78Å; A1087-Y1158 HydrophobicContact CB-CD1 3.93Å; A1087-Y1158 HydrophobicContact CB-CD2 3.87Å; A1087-Y1158 HydrophobicContact CB-CE1 3.96Å; A1087-Y1158 HydrophobicContact CB-CE2 3.91Å; A1087-Y1158 HydrophobicContact CB-CG 3.88Å
1088	Y	89.4	Confident	86.6	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-37.9	174.8	-59.5	-27.5	0	0	0	112.1	E1084 T1090 H1091 N1157 Y1158 F1164 L1166 F1171 P1173	E1084-Y1088 HydrophobicContact CB-CE2 3.78Å; E1084-Y1088 VanDerWaalsContact O-CD2 3.24Å; E1084-Y1088 WeakPolarHBondContact O-CD2 3.19Å; E1084-Y1088 PolarHBondContact O-N 2.81Å; Y1088-T1090 PolarHBondContact O-N 3.25Å; Y1088-H1091 PolarHBondContact O-N 3.12Å; Y1088-N1157 PolarHBondContact OH-O 2.85Å; Y1088-Y1158 AromaticContact CD1-CD2 3.99Å; Y1088-Y1158 HydrophobicContact CD1-CD2 3.99Å; Y1088-Y1158 AromaticContact CE1-CD2 3.97Å; Y1088-Y1158 HydrophobicContact CE1-CD2 3.97Å; Y1088-F1164 HydrophobicContact CD1-CE2 4.1Å; Y1088-F1164 AromaticContact CD1-CZ 3.87Å; Y1088-F1164 HydrophobicContact CD1-CZ 3.87Å; Y1088-L1166 HydrophobicContact CD1-CD2 4.39Å; Y1088-L1166 HydrophobicContact CD2-CD2 4.19Å; Y1088-L1166 HydrophobicContact CG-CD2 3.86Å; Y1088-F1171 WeakPolarHBondContact CE2-O 3.13Å; Y1088-P1173 HydrophobicContact CE1-CB 4.36Å; Y1088-P1173 HydrophobicContact CE1-CG 3.82Å; Y1088-P1173 VanDerWaalsContact CZ-CD 3.45Å
1089	F	89.4	Confident	86.8	Confident	11 Å²	11	34.7 Å²	34.7	5%	0.048	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-29.6	177.3	-165.5	-166.4	0	0	0	112.7	G1061 L1062 M1064 E1065 M1085 A1086 A1087 H1091 C1092 L1094 V1102	G1061-F1089 WeakPolarHBondContact O-CE2 3.49Å; L1062-F1089 HydrophobicContact CD2-CZ 4.25Å; M1064-F1089 VanDerWaalsContact CE-CA 3.5Å; M1064-F1089 HydrophobicContact CE-CB 3.74Å; M1064-F1089 HydrophobicContact CE-CD2 4.35Å; M1064-F1089 HydrophobicContact CE-CG 4.28Å; E1065-F1089 HydrophobicContact CB-CD1 4.01Å; E1065-F1089 HydrophobicContact CB-CE1 3.62Å; E1065-F1089 HydrophobicContact CB-CZ 4.32Å; E1065-F1089 HydrophobicContact CG-CD1 4.49Å; E1065-F1089 HydrophobicContact CG-CE1 3.96Å; M1085-F1089 PolarHBondContact O-N 3.49Å; M1085-F1089 VanDerWaalsContact O-N 3.08Å; A1086-F1089 PolarHBondContact O-N 2.83Å; A1087-F1089 VanDerWaalsContact C-N 3.26Å; A1087-F1089 PolarHBondContact O-N 2.88Å; F1089-H1091 PolarHBondContact O-N 2.87Å; F1089-C1092 HydrophobicContact CD2-CB 4.28Å; F1089-C1092 PolarHBondContact O-N 3.15Å; F1089-L1094 HydrophobicContact CD2-CD1 4.41Å; F1089-L1094 HydrophobicContact CE2-CD1 3.69Å; F1089-L1094 HydrophobicContact CZ-CD1 4.17Å; F1089-V1102 HydrophobicContact CB-CG1 3.81Å; F1089-V1102 HydrophobicContact CD1-CB 4.29Å; F1089-V1102 HydrophobicContact CD1-CG1 3.51Å; F1089-V1102 HydrophobicContact CD1-CG2 3.8Å; F1089-V1102 HydrophobicContact CD2-CG1 4.21Å; F1089-V1102 HydrophobicContact CD2-CG2 4.35Å; F1089-V1102 HydrophobicContact CE1-CB 4.38Å; F1089-V1102 HydrophobicContact CE1-CG1 4.07Å; F1089-V1102 HydrophobicContact CE1-CG2 3.44Å; F1089-V1102 VanDerWaalsContact CE1-CG2 3.44Å; F1089-V1102 HydrophobicContact CE2-CG2 4.03Å; F1089-V1102 HydrophobicContact CG-CG1 3.57Å; F1089-V1102 HydrophobicContact CG-CG2 4.24Å; F1089-V1102 HydrophobicContact CZ-CG2 3.56Å
1090	T	87.6	Confident	87.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.7	175.8	75.3	0	0	0	0	114	A1087 Y1088 M1099 V1102 L1103 A1106 F1122 R1125	A1087-T1090 WeakPolarHBondContact O-CB 3.45Å; A1087-T1090 PolarHBondContact O-N 3.16Å; A1087-T1090 PolarHBondContact O-OG1 3.35Å; Y1088-T1090 PolarHBondContact O-N 3.25Å; T1090-M1099 WeakPolarHBondContact O-CE 3.29Å; T1090-V1102 HydrophobicContact CG2-CG1 4.05Å; T1090-L1103 HydrophobicContact CG2-CD2 3.7Å; T1090-L1103 HydrophobicContact CG2-CG 4.3Å; T1090-A1106 HydrophobicContact CG2-CB 3.87Å; T1090-F1122 HydrophobicContact CG2-CD1 4.15Å; T1090-F1122 HydrophobicContact CG2-CE1 3.87Å; T1090-R1125 VanDerWaalsContact O-CZ 3.25Å; T1090-R1125 PolarHBondContact O-NH1 2.84Å; T1090-R1125 PolarHBondContact O-NH2 3.24Å
1091	H	86.3	Confident	87.2	Confident	66 Å²	66	33.6 Å²	33.6	31%	0.306	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-7.3	177.1	-73.8	-89.7	0	0	0	113.8	Y1088 F1089 Y1158 F1164	Y1088-H1091 PolarHBondContact O-N 3.12Å; F1089-H1091 PolarHBondContact O-N 2.87Å; H1091-Y1158 AromaticContact CD2-CE2 3.77Å; H1091-Y1158 AromaticContact NE2-CE2 3.46Å; H1091-Y1158 WeakPolarHBondContact NE2-CE2 3.16Å; H1091-Y1158 AromaticContact NE2-CZ 3.62Å; H1091-Y1158 PolarHBondContact NE2-OH 3.48Å; H1091-F1164 HydrophobicContact CB-CE2 4.34Å; H1091-F1164 HydrophobicContact CB-CZ 4.22Å; H1091-F1164 AromaticContact CD2-CZ 3.69Å; H1091-F1164 AromaticContact CG-CZ 3.88Å
1092	C	86.9	Confident	87.4	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.02	17%	0.169	C	C	.	.	S	Bend	trans	-69.1	138	172.9	-62.4	0	0	0	0	110.4	F1089 L1094 M1099	F1089-C1092 HydrophobicContact CD2-CB 4.28Å; F1089-C1092 PolarHBondContact O-N 3.15Å; C1092-L1094 HydrophobicContact CB-CD2 4.35Å; C1092-L1094 HydrophobicContact CB-CG 4.26Å; C1092-L1094 PolarHBondContact O-N 2.86Å; C1092-M1099 WeakPolarHBondContact O-CE 3.29Å
1093	N	87.3	Confident	87.5	Confident	121 Å²	121	30.8 Å²	30.8	65%	0.647	17%	0.167	S	C	*	.			trans	-79.6	85.6	-177.6	-69.2	-63.7	0	0	0	111.9	E1057	E1057-N1093 HydrophobicContact CG-CB 4.11Å; E1057-N1093 PolarHBondContact OE2-N 2.89Å
1094	L	89.1	Confident	87.6	Confident	24 Å²	24	35 Å²	35	13%	0.126	18%	0.182	C	C	.	.			trans	-102.3	159.1	-179.9	-51.7	176.6	0	0	0	112.4	Y1058 F1089 C1092 H1098 M1099 V1102	Y1058-L1094 HydrophobicContact CD1-CD2 4.14Å; Y1058-L1094 HydrophobicContact CD2-CD2 3.64Å; Y1058-L1094 HydrophobicContact CE1-CD2 4.22Å; Y1058-L1094 HydrophobicContact CE2-CB 4.33Å; Y1058-L1094 HydrophobicContact CE2-CD2 3.67Å; Y1058-L1094 HydrophobicContact CG-CD2 3.9Å; F1089-L1094 HydrophobicContact CD2-CD1 4.41Å; F1089-L1094 HydrophobicContact CE2-CD1 3.69Å; F1089-L1094 HydrophobicContact CZ-CD1 4.17Å; C1092-L1094 HydrophobicContact CB-CD2 4.35Å; C1092-L1094 HydrophobicContact CB-CG 4.26Å; C1092-L1094 PolarHBondContact O-N 2.86Å; L1094-H1098 HydrophobicContact CB-CB 4.36Å; L1094-H1098 HydrophobicContact CD1-CB 4.43Å; L1094-M1099 HydrophobicContact CB-CE 4.28Å; L1094-M1099 HydrophobicContact CD1-CE 4.42Å; L1094-M1099 HydrophobicContact CG-CE 4.35Å; L1094-V1102 HydrophobicContact CD1-CG2 3.83Å
1095	Q	88.6	Confident	87.6	Confident	89 Å²	89	36.9 Å²	36.9	42%	0.416	20%	0.195	S	C	.	.			trans	-55.7	143.8	167	-73.3	-72.2	-16.1	0	0	111.4	Y1012 Y1058 V1097 H1098 M1099	Y1012-Q1095 HydrophobicContact CE1-CG 4.27Å; Y1012-Q1095 HydrophobicContact CE2-CG 4.06Å; Y1058-Q1095 VanDerWaalsContact OH-CB 3.26Å; Y1058-Q1095 WeakPolarHBondContact OH-CB 3.46Å; Y1058-Q1095 WeakPolarHBondContact OH-CG 3.35Å; Y1058-Q1095 PolarHBondContact OH-N 2.88Å; Q1095-V1097 VanDerWaalsContact C-N 3.26Å; Q1095-V1097 PolarHBondContact O-N 2.78Å; Q1095-V1097 VanDerWaalsContact O-N 3.12Å; Q1095-H1098 PolarHBondContact O-N 3.03Å; Q1095-M1099 PolarHBondContact O-N 2.73Å
1096	P	86.8	Confident	87.7	Confident	70 Å²	70	36.6 Å²	36.6	46%	0.455	19%	0.193	S	C	.	.	H	α-helix	trans	-52.3	-40.2	-174.8	-29.7	35.9	0	0	0	114.3	H1098 M1099 V1100	P1096-H1098 VanDerWaalsContact C-N 3.31Å; P1096-H1098 PolarHBondContact O-N 3.23Å; P1096-M1099 PolarHBondContact O-N 3.21Å; P1096-V1100 WeakPolarHBondContact O-CG2 3.29Å; P1096-V1100 PolarHBondContact O-N 2.89Å
1097	V	86.4	Confident	87.7	Confident	98 Å²	98	36.4 Å²	36.4	59%	0.594	19%	0.192	S	C	*	.	H	α-helix	trans	-58	-40.7	178.5	-178.1	0	0	0	0	112.1	Q1095	Q1095-V1097 VanDerWaalsContact C-N 3.26Å; Q1095-V1097 PolarHBondContact O-N 2.78Å; Q1095-V1097 VanDerWaalsContact O-N 3.12Å
1098	H	89.6	Confident	87.8	Confident	8 Å²	8	39 Å²	39	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-79.5	-37.4	177.3	-54.4	141.5	0	0	0	111.7	Y1012 T1015 T1016 Y1058 L1094 Q1095 P1096 V1100 L1101 V1102	Y1012-H1098 AromaticContact CD1-CE1 3.77Å; Y1012-H1098 AromaticContact CG-CE1 3.95Å; Y1012-H1098 PolarHBondContact O-NE2 3.36Å; T1015-H1098 HydrophobicContact CG2-CB 4.49Å; T1016-H1098 PolarHBondContact OG1-CD2 2.96Å; T1016-H1098 PolarHBondContact OG1-NE2 2.86Å; Y1058-H1098 AromaticContact CE1-CE1 3.83Å; Y1058-H1098 AromaticContact CE1-ND1 3.39Å; Y1058-H1098 WeakPolarHBondContact CE1-ND1 3.46Å; Y1058-H1098 AromaticContact CZ-ND1 3.57Å; Y1058-H1098 PolarHBondContact OH-ND1 3.25Å; L1094-H1098 HydrophobicContact CB-CB 4.36Å; L1094-H1098 HydrophobicContact CD1-CB 4.43Å; Q1095-H1098 PolarHBondContact O-N 3.03Å; P1096-H1098 VanDerWaalsContact C-N 3.31Å; P1096-H1098 PolarHBondContact O-N 3.23Å; H1098-V1100 PolarHBondContact O-N 2.8Å; H1098-L1101 WeakPolarHBondContact O-CA 3.24Å; H1098-L1101 WeakPolarHBondContact O-CB 3.36Å; H1098-L1101 PolarHBondContact O-N 2.92Å; H1098-V1102 PolarHBondContact O-N 2.74Å; H1098-V1102 VanDerWaalsContact O-N 3.1Å
1099	M	87.9	Confident	87.7	Confident	11 Å²	11	41 Å²	41	5%	0.054	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-36.6	176.9	-176.8	54.7	68.4	0	0	111.9	T1090 C1092 L1094 Q1095 P1096 L1101 V1102 L1103 L1129	T1090-M1099 WeakPolarHBondContact O-CE 3.29Å; C1092-M1099 WeakPolarHBondContact O-CE 3.29Å; L1094-M1099 HydrophobicContact CB-CE 4.28Å; L1094-M1099 HydrophobicContact CD1-CE 4.42Å; L1094-M1099 HydrophobicContact CG-CE 4.35Å; Q1095-M1099 PolarHBondContact O-N 2.73Å; P1096-M1099 PolarHBondContact O-N 3.21Å; M1099-L1101 VanDerWaalsContact C-N 3.32Å; M1099-L1101 PolarHBondContact O-N 3.37Å; M1099-V1102 PolarHBondContact O-N 3.2Å; M1099-L1103 HydrophobicContact CG-CD1 3.81Å; M1099-L1103 HydrophobicContact CG-CG 4.38Å; M1099-L1103 WeakPolarHBondContact O-CB 3.14Å; M1099-L1103 PolarHBondContact O-N 2.7Å; M1099-L1103 HydrophobicContact SD-CD1 4.01Å; M1099-L1103 HydrophobicContact SD-CG 4.01Å; M1099-L1129 HydrophobicContact CB-CD1 4.14Å; M1099-L1129 HydrophobicContact CG-CD1 3.58Å
1100	V	87	Confident	87.5	Confident	22 Å²	22	40.5 Å²	40.5	13%	0.133	21%	0.214	C	C	.	.	H	α-helix	trans	-58.2	-39.9	171.3	164.4	0	0	0	0	112.4	P1096 H1098 R1104 L1126 L1129 P1131	P1096-V1100 WeakPolarHBondContact O-CG2 3.29Å; P1096-V1100 PolarHBondContact O-N 2.89Å; H1098-V1100 PolarHBondContact O-N 2.8Å; V1100-R1104 VanDerWaalsContact O-CB 3.28Å; V1100-R1104 WeakPolarHBondContact O-CB 3.48Å; V1100-R1104 PolarHBondContact O-N 3Å; V1100-R1104 VanDerWaalsContact O-N 3.08Å; V1100-L1126 HydrophobicContact CB-CD1 4.25Å; V1100-L1126 HydrophobicContact CG1-CD1 3.98Å; V1100-L1126 HydrophobicContact CG2-CD1 4.27Å; V1100-L1129 HydrophobicContact CG2-CB 3.86Å; V1100-L1129 HydrophobicContact CG2-CD1 4.29Å; V1100-P1131 HydrophobicContact CG1-CB 3.97Å
1101	L	85.3	Confident	87.5	Confident	81 Å²	81	43.8 Å²	43.8	42%	0.424	23%	0.228	S	C	.	.	H	α-helix	trans	-68.4	-41.3	177.1	-59.6	173.9	0	0	0	111.7	H1098 M1099 T1105	H1098-L1101 WeakPolarHBondContact O-CA 3.24Å; H1098-L1101 WeakPolarHBondContact O-CB 3.36Å; H1098-L1101 PolarHBondContact O-N 2.92Å; M1099-L1101 VanDerWaalsContact C-N 3.32Å; M1099-L1101 PolarHBondContact O-N 3.37Å; L1101-T1105 WeakPolarHBondContact O-CB 3.39Å; L1101-T1105 PolarHBondContact O-N 3.29Å; L1101-T1105 VanDerWaalsContact O-N 3.1Å; L1101-T1105 PolarHBondContact O-OG1 2.81Å
1102	V	88.8	Confident	87.5	Confident	13 Å²	13	49 Å²	49	8%	0.079	25%	0.25	C	S	.	.	H	α-helix	trans	-66.7	-50.2	179.3	-179.9	0	0	0	0	110.8	F1089 T1090 L1094 H1098 M1099 R1104 T1105 A1106	F1089-V1102 HydrophobicContact CB-CG1 3.81Å; F1089-V1102 HydrophobicContact CD1-CB 4.29Å; F1089-V1102 HydrophobicContact CD1-CG1 3.51Å; F1089-V1102 HydrophobicContact CD1-CG2 3.8Å; F1089-V1102 HydrophobicContact CD2-CG1 4.21Å; F1089-V1102 HydrophobicContact CD2-CG2 4.35Å; F1089-V1102 HydrophobicContact CE1-CB 4.38Å; F1089-V1102 HydrophobicContact CE1-CG1 4.07Å; F1089-V1102 HydrophobicContact CE1-CG2 3.44Å; F1089-V1102 VanDerWaalsContact CE1-CG2 3.44Å; F1089-V1102 HydrophobicContact CE2-CG2 4.03Å; F1089-V1102 HydrophobicContact CG-CG1 3.57Å; F1089-V1102 HydrophobicContact CG-CG2 4.24Å; F1089-V1102 HydrophobicContact CZ-CG2 3.56Å; T1090-V1102 HydrophobicContact CG2-CG1 4.05Å; L1094-V1102 HydrophobicContact CD1-CG2 3.83Å; H1098-V1102 PolarHBondContact O-N 2.74Å; H1098-V1102 VanDerWaalsContact O-N 3.1Å; M1099-V1102 PolarHBondContact O-N 3.2Å; V1102-R1104 PolarHBondContact O-N 3.43Å; V1102-T1105 WeakPolarHBondContact O-CB 3.36Å; V1102-T1105 PolarHBondContact O-N 3.39Å; V1102-T1105 VanDerWaalsContact O-N 3.08Å; V1102-A1106 PolarHBondContact O-N 3.39Å
1103	L	87.8	Confident	87.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.2	-39.5	178.3	-76.9	165.2	0	0	0	112.5	T1090 M1099 T1105 A1106 L1107 F1122 R1125 L1126 L1129	T1090-L1103 HydrophobicContact CG2-CD2 3.7Å; T1090-L1103 HydrophobicContact CG2-CG 4.3Å; M1099-L1103 HydrophobicContact CG-CD1 3.81Å; M1099-L1103 HydrophobicContact CG-CG 4.38Å; M1099-L1103 WeakPolarHBondContact O-CB 3.14Å; M1099-L1103 PolarHBondContact O-N 2.7Å; M1099-L1103 HydrophobicContact SD-CD1 4.01Å; M1099-L1103 HydrophobicContact SD-CG 4.01Å; L1103-T1105 VanDerWaalsContact C-N 3.28Å; L1103-T1105 PolarHBondContact O-N 2.72Å; L1103-A1106 PolarHBondContact O-N 3.32Å; L1103-L1107 VanDerWaalsContact O-CB 3.23Å; L1103-L1107 WeakPolarHBondContact O-CB 3.4Å; L1103-L1107 PolarHBondContact O-N 3.37Å; L1103-F1122 HydrophobicContact CD2-CB 4.31Å; L1103-F1122 HydrophobicContact CD2-CD1 3.75Å; L1103-F1122 HydrophobicContact CD2-CG 4.42Å; L1103-R1125 HydrophobicContact CD1-CB 4.49Å; L1103-R1125 HydrophobicContact CD1-CG 4.02Å; L1103-R1125 HydrophobicContact CD2-CG 4.49Å; L1103-L1126 HydrophobicContact CB-CB 4.17Å; L1103-L1126 HydrophobicContact CB-CD1 4.06Å; L1103-L1129 HydrophobicContact CD1-CD1 3.52Å
1104	R	88.1	Confident	87.2	Confident	92 Å²	92	52.2 Å²	52.2	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-37.4	173.5	-170.8	-177.4	-171.8	-162.5	3.9	111.8	V1100 V1102 N1108 L1126 V1135	V1100-R1104 VanDerWaalsContact O-CB 3.28Å; V1100-R1104 WeakPolarHBondContact O-CB 3.48Å; V1100-R1104 PolarHBondContact O-N 3Å; V1100-R1104 VanDerWaalsContact O-N 3.08Å; V1102-R1104 PolarHBondContact O-N 3.43Å; R1104-N1108 PolarHBondContact O-N 3.28Å; R1104-N1108 PolarHBondContact O-ND2 3Å; R1104-N1108 VanDerWaalsContact O-ND2 3.09Å; R1104-L1126 HydrophobicContact CB-CD2 4.17Å; R1104-V1135 HydrophobicContact CG-CG1 4.42Å
1105	T	87.7	Confident	87	Confident	53 Å²	53	51.1 Å²	51.1	33%	0.325	25%	0.249	S	C	.	.	H	α-helix	trans	-70	-46.3	178.2	-57.2	0	0	0	0	111.2	L1101 V1102 L1103 N1108 L1109	L1101-T1105 WeakPolarHBondContact O-CB 3.39Å; L1101-T1105 PolarHBondContact O-N 3.29Å; L1101-T1105 VanDerWaalsContact O-N 3.1Å; L1101-T1105 PolarHBondContact O-OG1 2.81Å; V1102-T1105 WeakPolarHBondContact O-CB 3.36Å; V1102-T1105 PolarHBondContact O-N 3.39Å; V1102-T1105 VanDerWaalsContact O-N 3.08Å; L1103-T1105 VanDerWaalsContact C-N 3.28Å; L1103-T1105 PolarHBondContact O-N 2.72Å; T1105-N1108 PolarHBondContact O-N 2.99Å; T1105-L1109 HydrophobicContact CG2-CD1 4.14Å; T1105-L1109 WeakPolarHBondContact O-CD1 3.35Å; T1105-L1109 WeakPolarHBondContact O-CG 3.39Å; T1105-L1109 PolarHBondContact O-N 3.39Å
1106	A	87.6	Confident	86.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-49.3	174.8	0	0	0	0	0	111.9	A1086 T1090 V1102 L1103 N1108 L1109 F1110 F1122	A1086-A1106 HydrophobicContact CB-CB 4.4Å; T1090-A1106 HydrophobicContact CG2-CB 3.87Å; V1102-A1106 PolarHBondContact O-N 3.39Å; L1103-A1106 PolarHBondContact O-N 3.32Å; A1106-N1108 VanDerWaalsContact C-N 3.31Å; A1106-N1108 PolarHBondContact O-N 3.07Å; A1106-L1109 PolarHBondContact O-N 3.38Å; A1106-F1110 WeakPolarHBondContact O-CD2 3.46Å; A1106-F1110 PolarHBondContact O-N 3.3Å; A1106-F1122 HydrophobicContact CB-CD2 4.3Å; A1106-F1122 HydrophobicContact CB-CE2 4.39Å
1107	L	88.3	Confident	86.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-51.3	-48.7	177.8	176.7	60.5	0	0	0	112.3	L1103 L1109 F1111 A1119 F1122 A1123 L1126 T1139 I1142	L1103-L1107 VanDerWaalsContact O-CB 3.23Å; L1103-L1107 WeakPolarHBondContact O-CB 3.4Å; L1103-L1107 PolarHBondContact O-N 3.37Å; L1107-L1109 VanDerWaalsContact C-N 3.31Å; L1107-L1109 PolarHBondContact O-N 2.98Å; L1107-F1111 VanDerWaalsContact O-CB 3.25Å; L1107-F1111 WeakPolarHBondContact O-CB 3.4Å; L1107-F1111 PolarHBondContact O-N 3.31Å; L1107-A1119 HydrophobicContact CD1-CB 4.09Å; L1107-A1119 WeakPolarHBondContact CD1-O 3.36Å; L1107-F1122 HydrophobicContact CB-CB 4.49Å; L1107-A1123 HydrophobicContact CD1-CB 3.85Å; L1107-A1123 HydrophobicContact CD2-CB 4.12Å; L1107-L1126 HydrophobicContact CD2-CD2 3.99Å; L1107-T1139 HydrophobicContact CD2-CG2 3.93Å; L1107-I1142 HydrophobicContact CD1-CG2 3.85Å; L1107-I1142 HydrophobicContact CD2-CD1 4.33Å; L1107-I1142 HydrophobicContact CD2-CG2 4.39Å; L1107-I1142 HydrophobicContact CG-CG2 4.21Å
1108	N	88	Confident	86.6	Confident	55 Å²	55	48.2 Å²	48.2	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-66.7	-29.1	-179.4	-75.7	-33.2	0	0	0	113.7	R1104 T1105 A1106 K1112	R1104-N1108 PolarHBondContact O-N 3.28Å; R1104-N1108 PolarHBondContact O-ND2 3Å; R1104-N1108 VanDerWaalsContact O-ND2 3.09Å; T1105-N1108 PolarHBondContact O-N 2.99Å; A1106-N1108 VanDerWaalsContact C-N 3.31Å; A1106-N1108 PolarHBondContact O-N 3.07Å; N1108-K1112 VanDerWaalsContact O-CG 3.27Å; N1108-K1112 WeakPolarHBondContact O-CG 3.35Å; N1108-K1112 PolarHBondContact O-N 3.24Å
1109	L	86.4	Confident	86.4	Confident	42 Å²	42	47.9 Å²	47.9	22%	0.22	22%	0.22	C	C	.	.	H	α-helix	trans	-77	-49.1	178.2	-68.5	161.8	0	0	0	110.9	R1068 A1086 T1105 A1106 L1107 F1111 K1112 L1113	R1068-L1109 VanDerWaalsContact NH1-CD1 3.28Å; A1086-L1109 HydrophobicContact CB-CD1 3.66Å; T1105-L1109 HydrophobicContact CG2-CD1 4.14Å; T1105-L1109 WeakPolarHBondContact O-CD1 3.35Å; T1105-L1109 WeakPolarHBondContact O-CG 3.39Å; T1105-L1109 PolarHBondContact O-N 3.39Å; A1106-L1109 PolarHBondContact O-N 3.38Å; L1107-L1109 VanDerWaalsContact C-N 3.31Å; L1107-L1109 PolarHBondContact O-N 2.98Å; L1109-F1111 VanDerWaalsContact C-N 3.34Å; L1109-F1111 PolarHBondContact O-N 3.27Å; L1109-K1112 PolarHBondContact O-N 3.24Å; L1109-L1113 PolarHBondContact O-N 3.49Å
1110	F	87.2	Confident	86.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-37.8	179.5	-82.6	-104.7	0	0	0	112.3	C1083 A1087 A1106 L1113 R1114 N1115 T1118 A1119 F1122 L1156	C1083-F1110 HydrophobicContact CB-CD2 4.29Å; C1083-F1110 HydrophobicContact CB-CE2 3.78Å; C1083-F1110 HydrophobicContact CB-CZ 3.93Å; C1083-F1110 WeakPolarHBondContact O-CE2 3.21Å; C1083-F1110 WeakPolarHBondContact O-CZ 3.36Å; A1087-F1110 HydrophobicContact CB-CE2 3.94Å; A1087-F1110 HydrophobicContact CB-CZ 3.71Å; A1106-F1110 WeakPolarHBondContact O-CD2 3.46Å; A1106-F1110 PolarHBondContact O-N 3.3Å; F1110-L1113 CarbonylContact O-C 3.57Å; F1110-L1113 PolarHBondContact O-N 3.32Å; F1110-R1114 PolarHBondContact O-N 3.1Å; F1110-N1115 HydrophobicContact CD1-CB 3.95Å; F1110-N1115 PolarHBondContact O-N 3.16Å; F1110-T1118 VanDerWaalsContact CD1-OG1 3.26Å; F1110-T1118 WeakPolarHBondContact CD1-OG1 3.25Å; F1110-A1119 HydrophobicContact CB-CB 3.99Å; F1110-F1122 HydrophobicContact CD1-CE2 4.22Å; F1110-F1122 HydrophobicContact CD2-CD2 4.37Å; F1110-F1122 AromaticContact CD2-CE2 3.86Å; F1110-F1122 HydrophobicContact CD2-CE2 3.86Å; F1110-F1122 HydrophobicContact CE1-CE2 4.19Å; F1110-F1122 AromaticContact CE2-CE2 3.84Å; F1110-F1122 HydrophobicContact CE2-CE2 3.84Å; F1110-F1122 HydrophobicContact CG-CD2 4.41Å; F1110-F1122 HydrophobicContact CG-CE2 4.06Å; F1110-F1122 HydrophobicContact CZ-CE2 4.03Å; F1110-L1156 HydrophobicContact CD1-CD1 4.37Å; F1110-L1156 HydrophobicContact CE1-CD1 3.47Å; F1110-L1156 VanDerWaalsContact CE1-CD1 3.47Å; F1110-L1156 HydrophobicContact CZ-CD1 3.81Å
1111	F	86.6	Confident	86.3	Confident	70 Å²	70	48.2 Å²	48.2	31%	0.307	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-41.1	173.3	-172.8	-101.5	0	0	0	112.5	L1107 L1109 R1114 F1116 I1142 A1145	L1107-F1111 VanDerWaalsContact O-CB 3.25Å; L1107-F1111 WeakPolarHBondContact O-CB 3.4Å; L1107-F1111 PolarHBondContact O-N 3.31Å; L1109-F1111 VanDerWaalsContact C-N 3.34Å; L1109-F1111 PolarHBondContact O-N 3.27Å; F1111-R1114 PolarHBondContact O-N 3.31Å; F1111-F1116 AromaticContact CD2-CD1 3.87Å; F1111-F1116 HydrophobicContact CD2-CD1 3.87Å; F1111-F1116 AromaticContact CD2-CE1 3.73Å; F1111-F1116 HydrophobicContact CD2-CE1 3.73Å; F1111-F1116 HydrophobicContact CE2-CD1 4.05Å; F1111-F1116 AromaticContact CE2-CE1 3.69Å; F1111-F1116 HydrophobicContact CE2-CE1 3.69Å; F1111-F1116 HydrophobicContact CG-CE1 4.49Å; F1111-F1116 HydrophobicContact CZ-CE1 4.42Å; F1111-I1142 HydrophobicContact CD2-CG2 3.68Å; F1111-I1142 HydrophobicContact CE2-CG2 4.05Å; F1111-I1142 HydrophobicContact CG-CG2 4.1Å; F1111-A1145 HydrophobicContact CE2-CB 4.09Å; F1111-A1145 HydrophobicContact CZ-CB 4.34Å
1112	K	85.6	Confident	86.5	Confident	175 Å²	175	44.8 Å²	44.8	76%	0.761	21%	0.213	S	C	*	.	H	α-helix	trans	-66.4	-35.6	175.1	-76.8	177.9	179.9	-170.6	0	112.7	N1108 L1109 R1114	N1108-K1112 VanDerWaalsContact O-CG 3.27Å; N1108-K1112 WeakPolarHBondContact O-CG 3.35Å; N1108-K1112 PolarHBondContact O-N 3.24Å; L1109-K1112 PolarHBondContact O-N 3.24Å; K1112-R1114 PolarHBondContact O-N 3.07Å
1113	L	83.9	Confident	86.4	Confident	20 Å²	20	44.1 Å²	44.1	11%	0.105	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	6	176.6	-151.4	98.8	0	0	0	113.5	Q1079 L1109 F1110 N1115 T1153 H1154	Q1079-L1113 HydrophobicContact CB-CD1 3.98Å; L1109-L1113 PolarHBondContact O-N 3.49Å; F1110-L1113 CarbonylContact O-C 3.57Å; F1110-L1113 PolarHBondContact O-N 3.32Å; L1113-N1115 PolarHBondContact O-N 3.41Å; L1113-T1153 PolarHBondContact O-OG1 2.92Å; L1113-T1153 VanDerWaalsContact O-OG1 3.11Å; L1113-H1154 HydrophobicContact CD2-CB 4.17Å
1114	R	84.4	Confident	86.5	Confident	171 Å²	171	50.1 Å²	50.1	65%	0.645	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	22.2	-177.3	-58.2	-177.9	-179.2	-172.3	0.4	115	F1110 F1111 K1112 F1116 T1153	F1110-R1114 PolarHBondContact O-N 3.1Å; F1111-R1114 PolarHBondContact O-N 3.31Å; K1112-R1114 PolarHBondContact O-N 3.07Å; R1114-F1116 HydrophobicContact CB-CE2 3.86Å; R1114-F1116 HydrophobicContact CB-CZ 3.96Å; R1114-F1116 HydrophobicContact CG-CE2 4.3Å; R1114-F1116 HydrophobicContact CG-CZ 4.03Å; R1114-F1116 WeakPolarHBondContact O-CD2 3.4Å; R1114-F1116 PolarHBondContact O-N 3.22Å; R1114-F1116 VanDerWaalsContact O-N 3.15Å; R1114-T1153 HydrophobicContact CB-CG2 4.07Å; R1114-T1153 WeakPolarHBondContact CB-OG1 3.35Å; R1114-T1153 PolarHBondContact O-OG1 2.86Å
1115	N	85	Confident	86.4	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.011	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-87.8	75.3	173	-83.9	10.7	0	0	0	110.2	F1110 L1113 T1118 A1119 D1152 T1153 H1154	F1110-N1115 HydrophobicContact CD1-CB 3.95Å; F1110-N1115 PolarHBondContact O-N 3.16Å; L1113-N1115 PolarHBondContact O-N 3.41Å; N1115-T1118 PolarHBondContact O-OG1 2.85Å; N1115-A1119 VanDerWaalsContact O-CB 3.24Å; N1115-A1119 WeakPolarHBondContact O-CB 3.43Å; N1115-A1119 PolarHBondContact O-N 2.95Å; N1115-D1152 VanDerWaalsContact CA-OD1 3.32Å; N1115-D1152 WeakPolarHBondContact CA-OD1 3.35Å; N1115-D1152 HydrophobicContact CB-CB 4.29Å; N1115-D1152 WeakPolarHBondContact CB-OD1 3.23Å; N1115-T1153 PolarHBondContact OD1-N 3.07Å; N1115-T1153 PolarHBondContact OD1-OG1 2.86Å; N1115-H1154 PolarHBondContact ND2-O 3.12Å; N1115-H1154 PolarHBondContact OD1-N 3.03Å; N1115-H1154 PolarHBondContact OD1-O 3.49Å
1116	F	85	Confident	86.5	Confident	37 Å²	37	47.2 Å²	47.2	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-75.6	-33	-166.4	-63.4	-59.4	0	0	0	114	F1111 R1114 A1119 A1120 C1146 T1149 T1151 D1152	F1111-F1116 AromaticContact CD2-CD1 3.87Å; F1111-F1116 HydrophobicContact CD2-CD1 3.87Å; F1111-F1116 AromaticContact CD2-CE1 3.73Å; F1111-F1116 HydrophobicContact CD2-CE1 3.73Å; F1111-F1116 HydrophobicContact CE2-CD1 4.05Å; F1111-F1116 AromaticContact CE2-CE1 3.69Å; F1111-F1116 HydrophobicContact CE2-CE1 3.69Å; F1111-F1116 HydrophobicContact CG-CE1 4.49Å; F1111-F1116 HydrophobicContact CZ-CE1 4.42Å; R1114-F1116 HydrophobicContact CB-CE2 3.86Å; R1114-F1116 HydrophobicContact CB-CZ 3.96Å; R1114-F1116 HydrophobicContact CG-CE2 4.3Å; R1114-F1116 HydrophobicContact CG-CZ 4.03Å; R1114-F1116 WeakPolarHBondContact O-CD2 3.4Å; R1114-F1116 PolarHBondContact O-N 3.22Å; R1114-F1116 VanDerWaalsContact O-N 3.15Å; F1116-A1119 PolarHBondContact O-N 2.89Å; F1116-A1120 WeakPolarHBondContact O-CB 3.49Å; F1116-A1120 PolarHBondContact O-N 2.82Å; F1116-C1146 HydrophobicContact CB-CB 4.09Å; F1116-C1146 WeakPolarHBondContact O-CB 3.34Å; F1116-T1149 VanDerWaalsContact CB-O 3.24Å; F1116-T1149 WeakPolarHBondContact CB-O 3.41Å; F1116-T1149 HydrophobicContact CD2-CG2 4.39Å; F1116-T1151 PolarHBondContact N-O 3.36Å; F1116-D1152 PolarHBondContact N-OD1 3.45Å
1117	K	84.8	Confident	86.5	Confident	131 Å²	131	49.2 Å²	49.2	57%	0.57	23%	0.225	S	C	*	.	H	α-helix	trans	-68.3	-43.6	-179.7	171.4	-172.8	179.1	-174.7	0	111	G1121 L1150 D1152	K1117-G1121 PolarHBondContact O-N 2.74Å; K1117-L1150 HydrophobicContact CB-CD2 4.44Å; K1117-D1152 WeakPolarHBondContact CB-OD2 3.3Å; K1117-D1152 PolarHBondContact N-OD1 3.27Å
1118	T	84.2	Confident	86.5	Confident	28 Å²	28	56.7 Å²	56.7	17%	0.172	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-37.8	173.2	42.8	0	0	0	0	112.6	F1110 N1115 A1120 G1121 F1122 D1152	F1110-T1118 VanDerWaalsContact CD1-OG1 3.26Å; F1110-T1118 WeakPolarHBondContact CD1-OG1 3.25Å; N1115-T1118 PolarHBondContact O-OG1 2.85Å; T1118-A1120 PolarHBondContact O-N 3.09Å; T1118-G1121 PolarHBondContact O-N 3.48Å; T1118-F1122 WeakPolarHBondContact O-CD2 3.16Å; T1118-F1122 PolarHBondContact O-N 2.59Å; T1118-D1152 PolarHBondContact N-OD1 3.29Å; T1118-D1152 PolarHBondContact OG1-OD1 2.86Å
1119	A	85.4	Confident	86.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-41.6	172.2	0	0	0	0	0	112.9	L1107 F1110 N1115 F1116 G1121 F1122 A1123	L1107-A1119 HydrophobicContact CD1-CB 4.09Å; L1107-A1119 WeakPolarHBondContact CD1-O 3.36Å; F1110-A1119 HydrophobicContact CB-CB 3.99Å; N1115-A1119 VanDerWaalsContact O-CB 3.24Å; N1115-A1119 WeakPolarHBondContact O-CB 3.43Å; N1115-A1119 PolarHBondContact O-N 2.95Å; F1116-A1119 PolarHBondContact O-N 2.89Å; A1119-G1121 VanDerWaalsContact C-N 3.3Å; A1119-G1121 PolarHBondContact O-N 2.86Å; A1119-F1122 PolarHBondContact O-N 2.62Å; A1119-A1123 PolarHBondContact O-N 2.98Å
1120	A	85.4	Confident	86.2	Confident	2 Å²	2	58.1 Å²	58.1	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-39.2	176.2	0	0	0	0	0	112.3	F1116 T1118 A1123 R1124 L1143 C1146	F1116-A1120 WeakPolarHBondContact O-CB 3.49Å; F1116-A1120 PolarHBondContact O-N 2.82Å; T1118-A1120 PolarHBondContact O-N 3.09Å; A1120-A1123 PolarHBondContact O-N 3.09Å; A1120-R1124 WeakPolarHBondContact O-CG 3.48Å; A1120-R1124 PolarHBondContact O-N 3.17Å; A1120-L1143 HydrophobicContact CB-CD1 3.81Å; A1120-C1146 HydrophobicContact CB-CB 3.98Å
1121	G	86.9	Confident	86.2	Confident	39 Å²	39	59 Å²	59	40%	0.402	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-47.1	173.9	0	0	0	0	0	112.8	K1117 T1118 A1119 A1123 R1124 R1125	K1117-G1121 PolarHBondContact O-N 2.74Å; T1118-G1121 PolarHBondContact O-N 3.48Å; A1119-G1121 VanDerWaalsContact C-N 3.3Å; A1119-G1121 PolarHBondContact O-N 2.86Å; G1121-A1123 VanDerWaalsContact C-N 3.34Å; G1121-A1123 PolarHBondContact O-N 2.9Å; G1121-R1124 PolarHBondContact O-N 3.02Å; G1121-R1125 PolarHBondContact O-N 3.25Å; G1121-R1125 VanDerWaalsContact O-N 3.17Å
1122	F	89	Confident	86.1	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.035	31%	0.306	C	S	.	.	H	α-helix	trans	-64.8	-36.1	175.4	-63.8	-49.8	0	0	0	112.7	A1087 T1090 L1103 A1106 L1107 F1110 T1118 A1119 L1126 Y1158	A1087-F1122 HydrophobicContact CB-CE2 4.43Å; A1087-F1122 HydrophobicContact CB-CZ 3.78Å; T1090-F1122 HydrophobicContact CG2-CD1 4.15Å; T1090-F1122 HydrophobicContact CG2-CE1 3.87Å; L1103-F1122 HydrophobicContact CD2-CB 4.31Å; L1103-F1122 HydrophobicContact CD2-CD1 3.75Å; L1103-F1122 HydrophobicContact CD2-CG 4.42Å; A1106-F1122 HydrophobicContact CB-CD2 4.3Å; A1106-F1122 HydrophobicContact CB-CE2 4.39Å; L1107-F1122 HydrophobicContact CB-CB 4.49Å; F1110-F1122 HydrophobicContact CD1-CE2 4.22Å; F1110-F1122 HydrophobicContact CD2-CD2 4.37Å; F1110-F1122 AromaticContact CD2-CE2 3.86Å; F1110-F1122 HydrophobicContact CD2-CE2 3.86Å; F1110-F1122 HydrophobicContact CE1-CE2 4.19Å; F1110-F1122 AromaticContact CE2-CE2 3.84Å; F1110-F1122 HydrophobicContact CE2-CE2 3.84Å; F1110-F1122 HydrophobicContact CG-CD2 4.41Å; F1110-F1122 HydrophobicContact CG-CE2 4.06Å; F1110-F1122 HydrophobicContact CZ-CE2 4.03Å; T1118-F1122 WeakPolarHBondContact O-CD2 3.16Å; T1118-F1122 PolarHBondContact O-N 2.59Å; A1119-F1122 PolarHBondContact O-N 2.62Å; F1122-L1126 WeakPolarHBondContact O-CB 3.47Å; F1122-L1126 PolarHBondContact O-N 3.39Å; F1122-Y1158 HydrophobicContact CE1-CE1 4.43Å; F1122-Y1158 AromaticContact CZ-CE1 3.78Å; F1122-Y1158 HydrophobicContact CZ-CE1 3.78Å; F1122-Y1158 AromaticContact CZ-CZ 4Å
1123	A	86.9	Confident	86.1	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-40.4	176.7	0	0	0	0	0	112.8	L1107 A1119 A1120 G1121 L1126 L1127 T1139 L1143	L1107-A1123 HydrophobicContact CD1-CB 3.85Å; L1107-A1123 HydrophobicContact CD2-CB 4.12Å; A1119-A1123 PolarHBondContact O-N 2.98Å; A1120-A1123 PolarHBondContact O-N 3.09Å; G1121-A1123 VanDerWaalsContact C-N 3.34Å; G1121-A1123 PolarHBondContact O-N 2.9Å; A1123-L1126 PolarHBondContact O-N 2.83Å; A1123-L1127 WeakPolarHBondContact O-CG 3.33Å; A1123-L1127 PolarHBondContact O-N 3.25Å; A1123-L1127 VanDerWaalsContact O-N 3.09Å; A1123-T1139 HydrophobicContact CB-CG2 3.73Å; A1123-T1139 WeakPolarHBondContact O-CG2 3.48Å; A1123-L1143 HydrophobicContact CB-CB 4.06Å; A1123-L1143 HydrophobicContact CB-CD1 4.12Å
1124	R	89.2	Confident	86.1	Confident	126 Å²	126	64.2 Å²	64.2	48%	0.475	33%	0.325	S	S	.	.	H	α-helix	trans	-64.4	-52	175.6	-69.3	174.6	-172.2	165	1.8	111.3	A1120 G1121 L1126 L1127 E1128 L1143 E1147	A1120-R1124 WeakPolarHBondContact O-CG 3.48Å; A1120-R1124 PolarHBondContact O-N 3.17Å; G1121-R1124 PolarHBondContact O-N 3.02Å; R1124-L1126 PolarHBondContact O-N 2.92Å; R1124-L1127 PolarHBondContact O-N 3.07Å; R1124-E1128 PolarHBondContact O-N 3.05Å; R1124-L1143 HydrophobicContact CG-CD1 4.16Å; R1124-L1143 HydrophobicContact CG-CD2 4.12Å; R1124-E1147 IonicContact CZ-OE1 3.46Å; R1124-E1147 IonicContact NE-OE1 3.54Å; R1124-E1147 IonicContact NH2-OE1 2.97Å; R1124-E1147 PolarHBondContact NH2-OE1 2.81Å
1125	R	87.9	Confident	86.1	Confident	83 Å²	83	57 Å²	57	31%	0.313	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-32.7	176.4	-170.3	175.9	171.8	-148.2	-7.7	112.9	T1090 L1103 G1121 L1129	T1090-R1125 VanDerWaalsContact O-CZ 3.25Å; T1090-R1125 PolarHBondContact O-NH1 2.84Å; T1090-R1125 PolarHBondContact O-NH2 3.24Å; L1103-R1125 HydrophobicContact CD1-CB 4.49Å; L1103-R1125 HydrophobicContact CD1-CG 4.02Å; L1103-R1125 HydrophobicContact CD2-CG 4.49Å; G1121-R1125 PolarHBondContact O-N 3.25Å; G1121-R1125 VanDerWaalsContact O-N 3.17Å; R1125-L1129 WeakPolarHBondContact O-CG 3.22Å
1126	L	88	Confident	86.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-69.1	-34.4	173.6	178	58.1	0	0	0	112.5	V1100 L1103 R1104 L1107 F1122 A1123 R1124 P1131 T1139	V1100-L1126 HydrophobicContact CB-CD1 4.25Å; V1100-L1126 HydrophobicContact CG1-CD1 3.98Å; V1100-L1126 HydrophobicContact CG2-CD1 4.27Å; L1103-L1126 HydrophobicContact CB-CB 4.17Å; L1103-L1126 HydrophobicContact CB-CD1 4.06Å; R1104-L1126 HydrophobicContact CB-CD2 4.17Å; L1107-L1126 HydrophobicContact CD2-CD2 3.99Å; F1122-L1126 WeakPolarHBondContact O-CB 3.47Å; F1122-L1126 PolarHBondContact O-N 3.39Å; A1123-L1126 PolarHBondContact O-N 2.83Å; R1124-L1126 PolarHBondContact O-N 2.92Å; L1126-P1131 HydrophobicContact CD1-CB 4.33Å; L1126-P1131 HydrophobicContact CD1-CG 4.5Å; L1126-P1131 HydrophobicContact CG-CG 4.49Å; L1126-P1131 WeakPolarHBondContact O-CD 3.34Å; L1126-P1131 WeakPolarHBondContact O-CG 3.26Å; L1126-T1139 HydrophobicContact CB-CG2 4.43Å; L1126-T1139 HydrophobicContact CD2-CG2 3.99Å; L1126-T1139 WeakPolarHBondContact CD2-OG1 3.43Å; L1126-T1139 HydrophobicContact CG-CG2 4.33Å
1127	L	87.9	Confident	86.2	Confident	44 Å²	44	61 Å²	61	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-75.1	-35.4	176.9	-71.3	168.9	0	0	0	112.5	A1123 R1124 L1129 G1130 A1136 T1139 R1140 L1143	A1123-L1127 WeakPolarHBondContact O-CG 3.33Å; A1123-L1127 PolarHBondContact O-N 3.25Å; A1123-L1127 VanDerWaalsContact O-N 3.09Å; R1124-L1127 PolarHBondContact O-N 3.07Å; L1127-L1129 PolarHBondContact O-N 3.16Å; L1127-G1130 PolarHBondContact O-N 3.16Å; L1127-A1136 HydrophobicContact CD2-CB 4.09Å; L1127-T1139 HydrophobicContact CD1-CG2 4.2Å; L1127-T1139 HydrophobicContact CD2-CG2 4.14Å; L1127-T1139 HydrophobicContact CG-CG2 3.84Å; L1127-R1140 HydrophobicContact CD1-CG 3.92Å; L1127-R1140 HydrophobicContact CD2-CG 4.08Å; L1127-L1143 HydrophobicContact CD1-CD2 4.16Å
1128	E	88.4	Confident	86.3	Confident	157 Å²	157	58.8 Å²	58.8	73%	0.734	31%	0.312	S	S	*	.	H	α-helix	trans	-58.8	-32.3	174.8	-72.1	165.4	-175.2	0	0	112.9	R1124 G1130	R1124-E1128 PolarHBondContact O-N 3.05Å; E1128-G1130 VanDerWaalsContact C-N 3.27Å; E1128-G1130 PolarHBondContact O-N 2.81Å
1129	L	85.3	Confident	86.4	Confident	65 Å²	65	57.5 Å²	57.5	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	2.5	179.3	-67	172.9	0	0	0	114.8	M1099 V1100 L1103 R1125 L1127	M1099-L1129 HydrophobicContact CB-CD1 4.14Å; M1099-L1129 HydrophobicContact CG-CD1 3.58Å; V1100-L1129 HydrophobicContact CG2-CB 3.86Å; V1100-L1129 HydrophobicContact CG2-CD1 4.29Å; L1103-L1129 HydrophobicContact CD1-CD1 3.52Å; R1125-L1129 WeakPolarHBondContact O-CG 3.22Å; L1127-L1129 PolarHBondContact O-N 3.16Å
1130	G	84.1	Confident	86.5	Confident	63 Å²	63	64.9 Å²	64.9	65%	0.649	33%	0.332	S	S	*	.			trans	62.3	60.2	176.9	0	0	0	0	0	115	L1127 E1128	L1127-G1130 PolarHBondContact O-N 3.16Å; E1128-G1130 VanDerWaalsContact C-N 3.27Å; E1128-G1130 PolarHBondContact O-N 2.81Å
1131	P	85.8	Confident	86.6	Confident	17 Å²	17	72.2 Å²	72.2	11%	0.11	36%	0.363	C	S	.	.			trans	-73.9	162.8	-178.9	33.3	-33.3	0	0	0	111.2	V1100 L1126 V1135 A1136	V1100-P1131 HydrophobicContact CG1-CB 3.97Å; L1126-P1131 HydrophobicContact CD1-CB 4.33Å; L1126-P1131 HydrophobicContact CD1-CG 4.5Å; L1126-P1131 HydrophobicContact CG-CG 4.49Å; L1126-P1131 WeakPolarHBondContact O-CD 3.34Å; L1126-P1131 WeakPolarHBondContact O-CG 3.26Å; P1131-V1135 HydrophobicContact CB-CB 4.32Å; P1131-V1135 HydrophobicContact CB-CG1 4.2Å; P1131-A1136 HydrophobicContact CG-CB 4.11Å
1132	K	85.4	Confident	86.5	Confident	161 Å²	161	71.2 Å²	71.2	70%	0.7	35%	0.349	S	S	*	.			trans	-50	144.4	177.6	-69.8	-169.9	177.6	-172.6	0	111.8	D1134 V1135 A1136	K1132-D1134 VanDerWaalsContact C-N 3.3Å; K1132-D1134 PolarHBondContact O-N 2.76Å; K1132-D1134 VanDerWaalsContact O-N 3.11Å; K1132-V1135 HydrophobicContact CB-CG2 4.48Å; K1132-V1135 WeakPolarHBondContact O-CA 3.38Å; K1132-V1135 WeakPolarHBondContact O-CB 3.01Å; K1132-V1135 PolarHBondContact O-N 2.85Å; K1132-A1136 PolarHBondContact O-N 2.75Å
1133	P	84.1	Confident	86.4	Confident	93 Å²	93	71.9 Å²	71.9	60%	0.604	35%	0.352	S	S	*	.	H	α-helix	trans	-49.2	-44.1	-171.8	-31	36.2	0	0	0	115	V1135 A1136 Q1137	P1133-V1135 VanDerWaalsContact C-N 3.33Å; P1133-V1135 PolarHBondContact O-N 3.32Å; P1133-A1136 WeakPolarHBondContact O-CB 3.33Å; P1133-A1136 PolarHBondContact O-N 2.91Å; P1133-Q1137 WeakPolarHBondContact O-CG 3.3Å; P1133-Q1137 PolarHBondContact O-N 3.28Å
1134	D	85.1	Confident	86.4	Confident	122 Å²	122	74.4 Å²	74.4	65%	0.652	37%	0.373	S	S	*	.	H	α-helix	trans	-62.8	-40.4	-179.8	-39	-44.6	0	0	0	112	K1132 Q1138	K1132-D1134 VanDerWaalsContact C-N 3.3Å; K1132-D1134 PolarHBondContact O-N 2.76Å; K1132-D1134 VanDerWaalsContact O-N 3.11Å; D1134-Q1138 WeakPolarHBondContact O-CB 3.28Å; D1134-Q1138 PolarHBondContact O-N 2.84Å
1135	V	83.9	Confident	86.1	Confident	18 Å²	18	70.3 Å²	70.3	11%	0.109	37%	0.367	C	S	.	.	H	α-helix	trans	-70.3	-40.8	176.4	-176.4	0	0	0	0	109.9	R1104 P1131 K1132 P1133 Q1137 Q1138 T1139	R1104-V1135 HydrophobicContact CG-CG1 4.42Å; P1131-V1135 HydrophobicContact CB-CB 4.32Å; P1131-V1135 HydrophobicContact CB-CG1 4.2Å; K1132-V1135 HydrophobicContact CB-CG2 4.48Å; K1132-V1135 WeakPolarHBondContact O-CA 3.38Å; K1132-V1135 WeakPolarHBondContact O-CB 3.01Å; K1132-V1135 PolarHBondContact O-N 2.85Å; P1133-V1135 VanDerWaalsContact C-N 3.33Å; P1133-V1135 PolarHBondContact O-N 3.32Å; V1135-Q1137 PolarHBondContact O-N 3.34Å; V1135-Q1138 PolarHBondContact O-N 3.38Å; V1135-T1139 WeakPolarHBondContact O-CB 3.35Å; V1135-T1139 PolarHBondContact O-N 3.31Å; V1135-T1139 PolarHBondContact O-OG1 3.28Å
1136	A	85.1	Confident	85.9	Confident	9 Å²	9	66.4 Å²	66.4	7%	0.074	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-42.7	175.8	0	0	0	0	0	111.9	L1127 P1131 K1132 P1133 T1139 R1140	L1127-A1136 HydrophobicContact CD2-CB 4.09Å; P1131-A1136 HydrophobicContact CG-CB 4.11Å; K1132-A1136 PolarHBondContact O-N 2.75Å; P1133-A1136 WeakPolarHBondContact O-CB 3.33Å; P1133-A1136 PolarHBondContact O-N 2.91Å; A1136-T1139 PolarHBondContact O-N 3.49Å; A1136-R1140 WeakPolarHBondContact O-CG 3.48Å; A1136-R1140 PolarHBondContact O-N 3.24Å
1137	Q	87.4	Confident	85.6	Confident	116 Å²	116	70.3 Å²	70.3	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-44.7	174.4	-70.7	-175.3	14.3	0	0	112	P1133 V1135 R1140 K1141	P1133-Q1137 WeakPolarHBondContact O-CG 3.3Å; P1133-Q1137 PolarHBondContact O-N 3.28Å; V1135-Q1137 PolarHBondContact O-N 3.34Å; Q1137-R1140 PolarHBondContact O-N 3.39Å; Q1137-K1141 WeakPolarHBondContact O-CG 3.45Å; Q1137-K1141 PolarHBondContact O-N 3.49Å; Q1137-K1141 VanDerWaalsContact O-N 3.14Å
1138	Q	85.9	Confident	85.4	Confident	83 Å²	83	76.9 Å²	76.9	39%	0.388	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-45.9	176.4	-170.6	178.5	26.1	0	0	111.5	D1134 V1135 R1140 K1141 I1142	D1134-Q1138 WeakPolarHBondContact O-CB 3.28Å; D1134-Q1138 PolarHBondContact O-N 2.84Å; V1135-Q1138 PolarHBondContact O-N 3.38Å; Q1138-R1140 PolarHBondContact O-N 2.92Å; Q1138-K1141 PolarHBondContact O-N 3.47Å; Q1138-I1142 HydrophobicContact CG-CD1 4.19Å; Q1138-I1142 WeakPolarHBondContact O-CG1 3.49Å; Q1138-I1142 PolarHBondContact O-N 2.61Å
1139	T	87.4	Confident	84.8	Confident	2 Å²	2	72.9 Å²	72.9	1%	0.012	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-40.1	178.7	-62.5	0	0	0	0	112.3	L1107 A1123 L1126 L1127 V1135 A1136 K1141 I1142 L1143	L1107-T1139 HydrophobicContact CD2-CG2 3.93Å; A1123-T1139 HydrophobicContact CB-CG2 3.73Å; A1123-T1139 WeakPolarHBondContact O-CG2 3.48Å; L1126-T1139 HydrophobicContact CB-CG2 4.43Å; L1126-T1139 HydrophobicContact CD2-CG2 3.99Å; L1126-T1139 WeakPolarHBondContact CD2-OG1 3.43Å; L1126-T1139 HydrophobicContact CG-CG2 4.33Å; L1127-T1139 HydrophobicContact CD1-CG2 4.2Å; L1127-T1139 HydrophobicContact CD2-CG2 4.14Å; L1127-T1139 HydrophobicContact CG-CG2 3.84Å; V1135-T1139 WeakPolarHBondContact O-CB 3.35Å; V1135-T1139 PolarHBondContact O-N 3.31Å; V1135-T1139 PolarHBondContact O-OG1 3.28Å; A1136-T1139 PolarHBondContact O-N 3.49Å; T1139-K1141 PolarHBondContact O-N 3.3Å; T1139-I1142 PolarHBondContact O-N 3.35Å; T1139-L1143 WeakPolarHBondContact O-CB 3.3Å; T1139-L1143 PolarHBondContact O-N 3Å
1140	R	88	Confident	84.5	Confident	154 Å²	154	74.5 Å²	74.5	58%	0.581	39%	0.392	S	S	*	.	H	α-helix	trans	-63	-39.9	174.4	-74	173.8	-171.5	144.3	2.5	112.4	L1127 A1136 Q1137 Q1138 L1143 A1144	L1127-R1140 HydrophobicContact CD1-CG 3.92Å; L1127-R1140 HydrophobicContact CD2-CG 4.08Å; A1136-R1140 WeakPolarHBondContact O-CG 3.48Å; A1136-R1140 PolarHBondContact O-N 3.24Å; Q1137-R1140 PolarHBondContact O-N 3.39Å; Q1138-R1140 PolarHBondContact O-N 2.92Å; R1140-L1143 PolarHBondContact O-N 2.77Å; R1140-A1144 WeakPolarHBondContact O-CB 3.43Å; R1140-A1144 PolarHBondContact O-N 3.08Å
1141	K	86.7	Confident	84.2	Confident	156 Å²	156	75.4 Å²	75.4	68%	0.678	39%	0.385	S	S	*	.	H	α-helix	trans	-63.1	-41.7	174.5	-71.8	177.1	179.9	179	0	111.9	Q1137 Q1138 T1139 A1145	Q1137-K1141 WeakPolarHBondContact O-CG 3.45Å; Q1137-K1141 PolarHBondContact O-N 3.49Å; Q1137-K1141 VanDerWaalsContact O-N 3.14Å; Q1138-K1141 PolarHBondContact O-N 3.47Å; T1139-K1141 PolarHBondContact O-N 3.3Å; K1141-A1145 PolarHBondContact O-N 3.09Å
1142	I	84.8	Confident	83.9	Confident	19 Å²	19	77.3 Å²	77.3	10%	0.097	39%	0.394	C	S	.	.	H	α-helix	trans	-66.4	-44.9	176.1	-66.5	167.8	0	0	0	110.7	L1107 F1111 Q1138 T1139 A1144 A1145 C1146	L1107-I1142 HydrophobicContact CD1-CG2 3.85Å; L1107-I1142 HydrophobicContact CD2-CD1 4.33Å; L1107-I1142 HydrophobicContact CD2-CG2 4.39Å; L1107-I1142 HydrophobicContact CG-CG2 4.21Å; F1111-I1142 HydrophobicContact CD2-CG2 3.68Å; F1111-I1142 HydrophobicContact CE2-CG2 4.05Å; F1111-I1142 HydrophobicContact CG-CG2 4.1Å; Q1138-I1142 HydrophobicContact CG-CD1 4.19Å; Q1138-I1142 WeakPolarHBondContact O-CG1 3.49Å; Q1138-I1142 PolarHBondContact O-N 2.61Å; T1139-I1142 PolarHBondContact O-N 3.35Å; I1142-A1144 PolarHBondContact O-N 3.12Å; I1142-A1145 WeakPolarHBondContact O-CB 3.24Å; I1142-A1145 PolarHBondContact O-N 3.23Å; I1142-C1146 PolarHBondContact O-N 3.07Å; I1142-C1146 PolarHBondContact O-SG 3.44Å; I1142-C1146 VanDerWaalsContact O-SG 3.33Å
1143	L	87.7	Confident	83.6	Confident	21 Å²	21	73.1 Å²	73.1	11%	0.11	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-47.9	177.6	-179.7	60.4	0	0	0	111.7	A1120 A1123 R1124 L1127 T1139 R1140 A1145 C1146 E1147	A1120-L1143 HydrophobicContact CB-CD1 3.81Å; A1123-L1143 HydrophobicContact CB-CB 4.06Å; A1123-L1143 HydrophobicContact CB-CD1 4.12Å; R1124-L1143 HydrophobicContact CG-CD1 4.16Å; R1124-L1143 HydrophobicContact CG-CD2 4.12Å; L1127-L1143 HydrophobicContact CD1-CD2 4.16Å; T1139-L1143 WeakPolarHBondContact O-CB 3.3Å; T1139-L1143 PolarHBondContact O-N 3Å; R1140-L1143 PolarHBondContact O-N 2.77Å; L1143-A1145 PolarHBondContact O-N 2.95Å; L1143-C1146 PolarHBondContact O-N 2.91Å; L1143-C1146 VanDerWaalsContact O-N 3.12Å; L1143-E1147 HydrophobicContact CD1-CG 4.07Å; L1143-E1147 WeakPolarHBondContact CD1-OE1 3.41Å; L1143-E1147 HydrophobicContact CG-CG 4.44Å; L1143-E1147 WeakPolarHBondContact O-CG 3.48Å; L1143-E1147 PolarHBondContact O-N 3.04Å
1144	A	85.6	Confident	83.5	Confident	53 Å²	53	71.6 Å²	71.6	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-21.4	176.6	0	0	0	0	0	113.8	R1140 I1142 K1148	R1140-A1144 WeakPolarHBondContact O-CB 3.43Å; R1140-A1144 PolarHBondContact O-N 3.08Å; I1142-A1144 PolarHBondContact O-N 3.12Å; A1144-K1148 WeakPolarHBondContact O-CG 3.38Å
1145	A	83.4	Confident	83.2	Confident	41 Å²	41	74.9 Å²	74.9	34%	0.339	38%	0.378	S	S	.	.	H	α-helix	trans	-80.4	-41.7	170.8	0	0	0	0	0	111.6	F1111 K1141 I1142 L1143 K1148	F1111-A1145 HydrophobicContact CE2-CB 4.09Å; F1111-A1145 HydrophobicContact CZ-CB 4.34Å; K1141-A1145 PolarHBondContact O-N 3.09Å; I1142-A1145 WeakPolarHBondContact O-CB 3.24Å; I1142-A1145 PolarHBondContact O-N 3.23Å; L1143-A1145 PolarHBondContact O-N 2.95Å; A1145-K1148 PolarHBondContact O-N 2.85Å
1146	C	84.6	Confident	83.1	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-39.3	175.4	-64.4	0	0	0	0	112.6	F1116 A1120 I1142 L1143 K1148 T1149	F1116-C1146 HydrophobicContact CB-CB 4.09Å; F1116-C1146 WeakPolarHBondContact O-CB 3.34Å; A1120-C1146 HydrophobicContact CB-CB 3.98Å; I1142-C1146 PolarHBondContact O-N 3.07Å; I1142-C1146 PolarHBondContact O-SG 3.44Å; I1142-C1146 VanDerWaalsContact O-SG 3.33Å; L1143-C1146 PolarHBondContact O-N 2.91Å; L1143-C1146 VanDerWaalsContact O-N 3.12Å; C1146-K1148 PolarHBondContact O-N 3.24Å; C1146-T1149 CarbonylContact O-C 3.27Å; C1146-T1149 VanDerWaalsContact O-C 3.27Å; C1146-T1149 PolarHBondContact O-N 2.9Å; C1146-T1149 VanDerWaalsContact O-N 3.11Å
1147	E	82.1	Confident	82.9	Confident	83 Å²	83	80.4 Å²	80.4	39%	0.388	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.3	-177.6	-73.5	177.2	160.5	0	0	113.4	R1124 L1143 T1149	R1124-E1147 IonicContact CZ-OE1 3.46Å; R1124-E1147 IonicContact NE-OE1 3.54Å; R1124-E1147 IonicContact NH2-OE1 2.97Å; R1124-E1147 PolarHBondContact NH2-OE1 2.81Å; L1143-E1147 HydrophobicContact CD1-CG 4.07Å; L1143-E1147 WeakPolarHBondContact CD1-OE1 3.41Å; L1143-E1147 HydrophobicContact CG-CG 4.44Å; L1143-E1147 WeakPolarHBondContact O-CG 3.48Å; L1143-E1147 PolarHBondContact O-N 3.04Å; E1147-T1149 VanDerWaalsContact C-N 3.35Å
1148	K	82.2	Confident	82.6	Confident	182 Å²	182	76.1 Å²	76.1	79%	0.791	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.6	170.7	-71.2	178.1	-179.2	-172.6	0	113.5	A1144 A1145 C1146	A1144-K1148 WeakPolarHBondContact O-CG 3.38Å; A1145-K1148 PolarHBondContact O-N 2.85Å; C1146-K1148 PolarHBondContact O-N 3.24Å
1149	T	76.6	Confident	82.3	Confident	73 Å²	73	75.3 Å²	75.3	45%	0.448	38%	0.383	S	S	.	.	S	Bend	trans	-140.5	75.6	-174.6	-45.3	0	0	0	0	109.9	F1116 C1146 E1147 T1151	F1116-T1149 VanDerWaalsContact CB-O 3.24Å; F1116-T1149 WeakPolarHBondContact CB-O 3.41Å; F1116-T1149 HydrophobicContact CD2-CG2 4.39Å; C1146-T1149 CarbonylContact O-C 3.27Å; C1146-T1149 VanDerWaalsContact O-C 3.27Å; C1146-T1149 PolarHBondContact O-N 2.9Å; C1146-T1149 VanDerWaalsContact O-N 3.11Å; E1147-T1149 VanDerWaalsContact C-N 3.35Å; T1149-T1151 PolarHBondContact O-N 3.04Å
1150	L	77.6	Confident	81.7	Confident	98 Å²	98	78.2 Å²	78.2	51%	0.513	40%	0.402	S	S	.	.			trans	-77.1	46.4	-172.2	-87.7	158.5	0	0	0	114.9	K1117	K1117-L1150 HydrophobicContact CB-CD2 4.44Å
1151	T	78.3	Confident	81.2	Confident	82 Å²	82	78.8 Å²	78.8	50%	0.503	41%	0.411	S	S	.	.			trans	-119	147.1	175.6	49.9	0	0	0	0	111.6	F1116 T1149	F1116-T1151 PolarHBondContact N-O 3.36Å; T1149-T1151 PolarHBondContact O-N 3.04Å
1152	D	80.3	Confident	81	Confident	58 Å²	58	74.4 Å²	74.4	31%	0.31	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-100.6	122.7	166.4	-65.6	-53.5	0	0	0	108.1	N1115 F1116 K1117 T1118	N1115-D1152 VanDerWaalsContact CA-OD1 3.32Å; N1115-D1152 WeakPolarHBondContact CA-OD1 3.35Å; N1115-D1152 HydrophobicContact CB-CB 4.29Å; N1115-D1152 WeakPolarHBondContact CB-OD1 3.23Å; F1116-D1152 PolarHBondContact N-OD1 3.45Å; K1117-D1152 WeakPolarHBondContact CB-OD2 3.3Å; K1117-D1152 PolarHBondContact N-OD1 3.27Å; T1118-D1152 PolarHBondContact N-OD1 3.29Å; T1118-D1152 PolarHBondContact OG1-OD1 2.86Å
1153	T	78.9	Confident	80.8	Confident	73 Å²	73	76.5 Å²	76.5	45%	0.448	41%	0.41	S	S	.	.	S	Bend	trans	-77	-21.3	-177.8	41.5	0	0	0	0	114	L1113 R1114 N1115	L1113-T1153 PolarHBondContact O-OG1 2.92Å; L1113-T1153 VanDerWaalsContact O-OG1 3.11Å; R1114-T1153 HydrophobicContact CB-CG2 4.07Å; R1114-T1153 WeakPolarHBondContact CB-OG1 3.35Å; R1114-T1153 PolarHBondContact O-OG1 2.86Å; N1115-T1153 PolarHBondContact OD1-N 3.07Å; N1115-T1153 PolarHBondContact OD1-OG1 2.86Å
1154	H	81.4	Confident	80.7	Confident	61 Å²	61	76.7 Å²	76.7	28%	0.282	41%	0.41	S	S	.	.	S	Bend	trans	-132.8	126.5	-179	-60.1	-56	0	0	0	111.7	L1113 N1115	L1113-H1154 HydrophobicContact CD2-CB 4.17Å; N1115-H1154 PolarHBondContact ND2-O 3.12Å; N1115-H1154 PolarHBondContact OD1-N 3.03Å; N1115-H1154 PolarHBondContact OD1-O 3.49Å
1155	Q	79.6	Confident	80.6	Confident	190 Å²	190	77.9 Å²	77.9	89%	0.888	41%	0.409	S	S	*	.			trans	-70.3	134.9	172.3	-166.6	173.6	9.8	0	0	110.4
1156	L	81.9	Confident	80.8	Confident	26 Å²	26	77 Å²	77	14%	0.136	40%	0.398	C	S	.	.			trans	-129	155.7	-178.9	-60.2	175.4	0	0	0	109.4	K1080 C1083 E1084 F1110 Y1158	K1080-L1156 HydrophobicContact CB-CD2 3.49Å; K1080-L1156 VanDerWaalsContact CB-CD2 3.49Å; K1080-L1156 HydrophobicContact CD-CD2 4.31Å; K1080-L1156 HydrophobicContact CG-CD2 3.65Å; C1083-L1156 HydrophobicContact CB-CD1 4.15Å; E1084-L1156 HydrophobicContact CG-CB 4.16Å; E1084-L1156 HydrophobicContact CG-CD2 4.37Å; F1110-L1156 HydrophobicContact CD1-CD1 4.37Å; F1110-L1156 HydrophobicContact CE1-CD1 3.47Å; F1110-L1156 VanDerWaalsContact CE1-CD1 3.47Å; F1110-L1156 HydrophobicContact CZ-CD1 3.81Å; L1156-Y1158 PolarHBondContact O-N 3.37Å
1157	N	80.6	Confident	81	Confident	117 Å²	117	77 Å²	77	63%	0.626	40%	0.398	S	S	*	.	S	Bend	trans	-78.6	44.4	178.7	-63.9	-65.9	0	0	0	113.7	E1084 Y1088 Y1175	E1084-N1157 VanDerWaalsContact OE1-CB 3.31Å; E1084-N1157 WeakPolarHBondContact OE1-CB 3.31Å; E1084-N1157 PolarHBondContact OE1-N 3.49Å; E1084-N1157 PolarHBondContact OE1-ND2 2.76Å; Y1088-N1157 PolarHBondContact OH-O 2.85Å; N1157-Y1175 PolarHBondContact O-OH 3.24Å
1158	Y	82	Confident	81.3	Confident	27 Å²	27	73.4 Å²	73.4	11%	0.106	38%	0.383	C	S	.	.			trans	-130.9	112.2	-175	173.3	-109.9	0	0	0	111	A1087 Y1088 H1091 F1122 L1156 P1160 F1164	A1087-Y1158 HydrophobicContact CB-CD1 3.93Å; A1087-Y1158 HydrophobicContact CB-CD2 3.87Å; A1087-Y1158 HydrophobicContact CB-CE1 3.96Å; A1087-Y1158 HydrophobicContact CB-CE2 3.91Å; A1087-Y1158 HydrophobicContact CB-CG 3.88Å; Y1088-Y1158 AromaticContact CD1-CD2 3.99Å; Y1088-Y1158 HydrophobicContact CD1-CD2 3.99Å; Y1088-Y1158 AromaticContact CE1-CD2 3.97Å; Y1088-Y1158 HydrophobicContact CE1-CD2 3.97Å; H1091-Y1158 AromaticContact CD2-CE2 3.77Å; H1091-Y1158 AromaticContact NE2-CE2 3.46Å; H1091-Y1158 WeakPolarHBondContact NE2-CE2 3.16Å; H1091-Y1158 AromaticContact NE2-CZ 3.62Å; H1091-Y1158 PolarHBondContact NE2-OH 3.48Å; F1122-Y1158 HydrophobicContact CE1-CE1 4.43Å; F1122-Y1158 AromaticContact CZ-CE1 3.78Å; F1122-Y1158 HydrophobicContact CZ-CE1 3.78Å; F1122-Y1158 AromaticContact CZ-CZ 4Å; L1156-Y1158 PolarHBondContact O-N 3.37Å; Y1158-P1160 HydrophobicContact CE1-CB 3.99Å; Y1158-P1160 HydrophobicContact CE1-CG 4.4Å; Y1158-F1164 HydrophobicContact CD2-CE1 4.31Å; Y1158-F1164 HydrophobicContact CD2-CZ 4.38Å; Y1158-F1164 HydrophobicContact CE2-CE1 4.17Å; Y1158-F1164 HydrophobicContact CE2-CZ 4.18Å
1159	D	79.2	Confident	81.5	Confident	65 Å²	65	65 Å²	65	35%	0.348	35%	0.347	S	S	.	.			trans	-104.5	115.8	168.5	-177.7	-1.9	0	0	0	109.7	H1161 N1162	D1159-H1161 VanDerWaalsContact C-N 3.29Å; D1159-H1161 PolarHBondContact O-N 2.76Å; D1159-H1161 IonicContact OD1-CG 2.83Å; D1159-H1161 PolarHBondContact OD1-N 2.69Å; D1159-H1161 IonicContact OD1-ND1 2.79Å; D1159-N1162 HydrophobicContact CB-CB 4.24Å; D1159-N1162 WeakPolarHBondContact OD2-CB 3.49Å
1160	P	73.7	Confident	82	Confident	63 Å²	63	63 Å²	63	41%	0.409	34%	0.336	S	S	.	.	S	Bend	trans	-73.5	-12.9	179.1	28.8	-33.7	0	0	0	114.5	Y1158	Y1158-P1160 HydrophobicContact CE1-CB 3.99Å; Y1158-P1160 HydrophobicContact CE1-CG 4.4Å
1161	H	78.8	Confident	82.5	Confident	166 Å²	166	59.3 Å²	59.3	77%	0.769	32%	0.316	S	S	*	.	S	Bend	trans	-96.9	-21.5	-177.4	-55.9	90.5	0	0	0	113.5	D1159 P1163	D1159-H1161 VanDerWaalsContact C-N 3.29Å; D1159-H1161 PolarHBondContact O-N 2.76Å; D1159-H1161 IonicContact OD1-CG 2.83Å; D1159-H1161 PolarHBondContact OD1-N 2.69Å; D1159-H1161 IonicContact OD1-ND1 2.79Å; H1161-P1163 WeakPolarHBondContact O-CD 3.42Å
1162	N	81.2	Confident	82.8	Confident	65 Å²	65	58.2 Å²	58.2	35%	0.348	31%	0.309	S	S	.	.	S	Bend	trans	-96.3	112.4	-177.1	-171.3	-1.4	0	0	0	110.8	D1159 F1164 Y1175	D1159-N1162 HydrophobicContact CB-CB 4.24Å; D1159-N1162 WeakPolarHBondContact OD2-CB 3.49Å; N1162-F1164 WeakPolarHBondContact O-CD1 3.28Å; N1162-F1164 PolarHBondContact O-N 3.27Å; N1162-Y1175 HydrophobicContact CB-CD1 4.03Å; N1162-Y1175 HydrophobicContact CB-CE1 4.05Å; N1162-Y1175 VanDerWaalsContact ND2-CD1 3.35Å; N1162-Y1175 WeakPolarHBondContact ND2-CD1 3.13Å
1163	P	80.6	Confident	83.1	Confident	62 Å²	62	55.9 Å²	55.9	40%	0.403	30%	0.297	S	S	.	.			trans	-67.3	129	-177.6	27	-34.6	0	0	0	112.1	H1161	H1161-P1163 WeakPolarHBondContact O-CD 3.42Å
1164	F	86.4	Confident	83.4	Confident	25 Å²	25	53.2 Å²	53.2	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.7	178.4	57.5	-97.4	0	0	0	111.8	Y1088 H1091 Y1158 N1162 L1166 P1173 L1174 Y1175	Y1088-F1164 HydrophobicContact CD1-CE2 4.1Å; Y1088-F1164 AromaticContact CD1-CZ 3.87Å; Y1088-F1164 HydrophobicContact CD1-CZ 3.87Å; H1091-F1164 HydrophobicContact CB-CE2 4.34Å; H1091-F1164 HydrophobicContact CB-CZ 4.22Å; H1091-F1164 AromaticContact CD2-CZ 3.69Å; H1091-F1164 AromaticContact CG-CZ 3.88Å; Y1158-F1164 HydrophobicContact CD2-CE1 4.31Å; Y1158-F1164 HydrophobicContact CD2-CZ 4.38Å; Y1158-F1164 HydrophobicContact CE2-CE1 4.17Å; Y1158-F1164 HydrophobicContact CE2-CZ 4.18Å; N1162-F1164 WeakPolarHBondContact O-CD1 3.28Å; N1162-F1164 PolarHBondContact O-N 3.27Å; F1164-L1166 HydrophobicContact CD2-CD2 4.07Å; F1164-L1166 HydrophobicContact CD2-CG 4.14Å; F1164-L1166 HydrophobicContact CE2-CD1 4.45Å; F1164-L1166 HydrophobicContact CE2-CD2 3.77Å; F1164-L1166 HydrophobicContact CE2-CG 3.92Å; F1164-P1173 HydrophobicContact CB-CB 3.81Å; F1164-P1173 HydrophobicContact CD1-CB 3.99Å; F1164-P1173 HydrophobicContact CD2-CB 3.52Å; F1164-P1173 HydrophobicContact CE1-CB 4.49Å; F1164-P1173 HydrophobicContact CE2-CB 4.08Å; F1164-P1173 HydrophobicContact CG-CB 3.49Å; F1164-P1173 VanDerWaalsContact CG-CB 3.49Å; F1164-L1174 WeakPolarHBondContact CA-O 3.27Å; F1164-Y1175 HydrophobicContact CB-CD1 3.82Å; F1164-Y1175 HydrophobicContact CB-CE1 4.06Å; F1164-Y1175 HydrophobicContact CB-CG 4.32Å; F1164-Y1175 HydrophobicContact CD1-CD1 4.31Å; F1164-Y1175 AromaticContact CD1-CE1 3.73Å; F1164-Y1175 HydrophobicContact CD1-CE1 3.73Å; F1164-Y1175 HydrophobicContact CG-CE1 4.27Å
1165	D	83.8	Confident	83.6	Confident	78 Å²	78	52.4 Å²	52.4	42%	0.417	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	159.4	160.4	-72.9	-29.2	0	0	0	109.2	L1174 C1189	D1165-L1174 HydrophobicContact CB-CB 4.32Å; D1165-L1174 PolarHBondContact N-O 2.8Å; D1165-L1174 WeakPolarHBondContact O-CB 3.19Å; D1165-L1174 PolarHBondContact O-N 3.4Å; D1165-C1189 HydrophobicContact CB-CB 3.94Å; D1165-C1189 PolarHBondContact OD2-SG 3.38Å
1166	L	87.3	Confident	83.5	Confident	24 Å²	24	53.2 Å²	53.2	13%	0.126	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.8	174.5	-75.7	167.2	0	0	0	111.8	M1064 Y1088 F1164 A1168	M1064-L1166 HydrophobicContact CE-CD1 4.06Å; Y1088-L1166 HydrophobicContact CD1-CD2 4.39Å; Y1088-L1166 HydrophobicContact CD2-CD2 4.19Å; Y1088-L1166 HydrophobicContact CG-CD2 3.86Å; F1164-L1166 HydrophobicContact CD2-CD2 4.07Å; F1164-L1166 HydrophobicContact CD2-CG 4.14Å; F1164-L1166 HydrophobicContact CE2-CD1 4.45Å; F1164-L1166 HydrophobicContact CE2-CD2 3.77Å; F1164-L1166 HydrophobicContact CE2-CG 3.92Å; L1166-A1168 PolarHBondContact O-N 3.24Å
1167	C	89.4	Confident	83.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.306	C	S	.	.			trans	-67.7	112	167.5	178.7	0	0	0	0	109.8	A1169 S1170 F1171 V1172 L1174 C1189 C1191	C1167-A1169 PolarHBondContact O-N 3.06Å; C1167-S1170 WeakPolarHBondContact CB-OG 3.37Å; C1167-S1170 PolarHBondContact O-N 3.16Å; C1167-S1170 PolarHBondContact SG-OG 2.84Å; C1167-F1171 WeakPolarHBondContact O-CA 3.17Å; C1167-F1171 PolarHBondContact O-N 3.29Å; C1167-V1172 PolarHBondContact N-O 2.79Å; C1167-L1174 HydrophobicContact CB-CD1 3.99Å; C1167-L1174 HydrophobicContact CB-CG 4.24Å; C1167-C1189 WeakPolarHBondContact CA-O 3.49Å; C1167-C1191 PolarHBondContact SG-N 2.69Å
1168	A	87.8	Confident	83.1	Confident	7 Å²	7	58.8 Å²	58.8	6%	0.058	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	4.6	-177	0	0	0	0	0	114.8	V1060 L1166 A1188 C1189 Y1190 V1201	V1060-A1168 HydrophobicContact CG2-CB 3.81Å; L1166-A1168 PolarHBondContact O-N 3.24Å; A1168-A1188 HydrophobicContact CB-CB 4.28Å; A1168-C1189 PolarHBondContact N-O 2.96Å; A1168-Y1190 HydrophobicContact CB-CE1 3.85Å; A1168-Y1190 HydrophobicContact CB-CE2 4.4Å; A1168-V1201 HydrophobicContact CB-CG2 3.86Å
1169	A	86.8	Confident	83.2	Confident	6 Å²	6	62.2 Å²	62.2	5%	0.05	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-45	171.8	0	0	0	0	0	113.7	C1167 Y1190 Y1194 R1200	C1167-A1169 PolarHBondContact O-N 3.06Å; A1169-Y1190 HydrophobicContact CB-CD1 3.87Å; A1169-Y1190 HydrophobicContact CB-CE1 3.82Å; A1169-Y1194 HydrophobicContact CB-CD1 4.03Å; A1169-Y1194 HydrophobicContact CB-CD2 4.04Å; A1169-Y1194 HydrophobicContact CB-CE1 3.81Å; A1169-Y1194 HydrophobicContact CB-CE2 3.8Å; A1169-Y1194 HydrophobicContact CB-CG 4.15Å; A1169-R1200 PolarHBondContact O-NH1 2.83Å
1170	S	85.6	Confident	83.7	Confident	31 Å²	31	61.4 Å²	61.4	22%	0.217	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-10.1	-175.3	59.3	0	0	0	0	114.3	R1081 C1167 V1172	R1081-S1170 PolarHBondContact NH2-O 2.91Å; C1167-S1170 WeakPolarHBondContact CB-OG 3.37Å; C1167-S1170 PolarHBondContact O-N 3.16Å; C1167-S1170 PolarHBondContact SG-OG 2.84Å; S1170-V1172 VanDerWaalsContact C-N 3.3Å; S1170-V1172 PolarHBondContact O-N 2.84Å
1171	F	88.5	Confident	84.6	Confident	19 Å²	19	60.5 Å²	60.5	8%	0.083	32%	0.32	C	S	.	.			trans	53.3	46.6	-173.8	-50.2	-65.4	0	0	0	112.2	T1063 M1064 E1067 R1081 M1085 Y1088 C1167	T1063-F1171 HydrophobicContact CG2-CZ 4.16Å; M1064-F1171 HydrophobicContact CB-CD1 3.69Å; M1064-F1171 HydrophobicContact CB-CE1 3.68Å; M1064-F1171 HydrophobicContact CB-CG 4.25Å; M1064-F1171 HydrophobicContact CB-CZ 4.22Å; M1064-F1171 HydrophobicContact CG-CB 4.29Å; M1064-F1171 HydrophobicContact CG-CD1 3.84Å; M1064-F1171 HydrophobicContact CG-CE1 4.32Å; M1064-F1171 HydrophobicContact CG-CG 3.99Å; M1064-F1171 HydrophobicContact SD-CB 3.97Å; M1064-F1171 HydrophobicContact SD-CD1 3.93Å; M1064-F1171 HydrophobicContact SD-CG 4.16Å; E1067-F1171 HydrophobicContact CB-CE2 4.32Å; E1067-F1171 HydrophobicContact CG-CE2 4.16Å; R1081-F1171 PolarHBondContact NH2-O 2.74Å; M1085-F1171 HydrophobicContact CE-CB 4.45Å; M1085-F1171 HydrophobicContact CE-CD2 3.96Å; M1085-F1171 HydrophobicContact CE-CG 4.35Å; Y1088-F1171 WeakPolarHBondContact CE2-O 3.13Å; C1167-F1171 WeakPolarHBondContact O-CA 3.17Å; C1167-F1171 PolarHBondContact O-N 3.29Å
1172	V	85.7	Confident	85.2	Confident	59 Å²	59	58 Å²	58	36%	0.358	31%	0.307	S	S	.	.			trans	-114.3	138.9	176.4	177.2	0	0	0	0	108.7	C1167 S1170	C1167-V1172 PolarHBondContact N-O 2.79Å; S1170-V1172 VanDerWaalsContact C-N 3.3Å; S1170-V1172 PolarHBondContact O-N 2.84Å
1173	P	86.8	Confident	85.8	Confident	10 Å²	10	55 Å²	55	7%	0.065	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	132.4	177.2	26.9	-35.4	0	0	0	112	Y1088 F1164 Y1175	Y1088-P1173 HydrophobicContact CE1-CB 4.36Å; Y1088-P1173 HydrophobicContact CE1-CG 3.82Å; Y1088-P1173 VanDerWaalsContact CZ-CD 3.45Å; F1164-P1173 HydrophobicContact CB-CB 3.81Å; F1164-P1173 HydrophobicContact CD1-CB 3.99Å; F1164-P1173 HydrophobicContact CD2-CB 3.52Å; F1164-P1173 HydrophobicContact CE1-CB 4.49Å; F1164-P1173 HydrophobicContact CE2-CB 4.08Å; F1164-P1173 HydrophobicContact CG-CB 3.49Å; F1164-P1173 VanDerWaalsContact CG-CB 3.49Å; P1173-Y1175 HydrophobicContact CB-CD2 4.5Å; P1173-Y1175 HydrophobicContact CB-CE2 3.94Å; P1173-Y1175 HydrophobicContact CG-CE2 3.79Å
1174	L	85.3	Confident	86.3	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.084	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	87.7	175.2	-62.6	171.6	0	0	0	108	F1164 D1165 C1167 V1180 C1189	F1164-L1174 WeakPolarHBondContact CA-O 3.27Å; D1165-L1174 HydrophobicContact CB-CB 4.32Å; D1165-L1174 PolarHBondContact N-O 2.8Å; D1165-L1174 WeakPolarHBondContact O-CB 3.19Å; D1165-L1174 PolarHBondContact O-N 3.4Å; C1167-L1174 HydrophobicContact CB-CD1 3.99Å; C1167-L1174 HydrophobicContact CB-CG 4.24Å; L1174-V1180 HydrophobicContact CB-CG2 4.11Å; L1174-V1180 HydrophobicContact CD1-CG1 4.1Å; L1174-V1180 HydrophobicContact CD1-CG2 4.1Å; L1174-C1189 HydrophobicContact CD1-CB 3.92Å
1175	Y	84.3	Confident	86.6	Confident	45 Å²	45	53 Å²	53	18%	0.176	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	147.2	177.3	-61.9	-76.8	0	0	0	111.7	N1157 N1162 F1164 P1173 G1177 R1178	N1157-Y1175 PolarHBondContact O-OH 3.24Å; N1162-Y1175 HydrophobicContact CB-CD1 4.03Å; N1162-Y1175 HydrophobicContact CB-CE1 4.05Å; N1162-Y1175 VanDerWaalsContact ND2-CD1 3.35Å; N1162-Y1175 WeakPolarHBondContact ND2-CD1 3.13Å; F1164-Y1175 HydrophobicContact CB-CD1 3.82Å; F1164-Y1175 HydrophobicContact CB-CE1 4.06Å; F1164-Y1175 HydrophobicContact CB-CG 4.32Å; F1164-Y1175 HydrophobicContact CD1-CD1 4.31Å; F1164-Y1175 AromaticContact CD1-CE1 3.73Å; F1164-Y1175 HydrophobicContact CD1-CE1 3.73Å; F1164-Y1175 HydrophobicContact CG-CE1 4.27Å; P1173-Y1175 HydrophobicContact CB-CD2 4.5Å; P1173-Y1175 HydrophobicContact CB-CE2 3.94Å; P1173-Y1175 HydrophobicContact CG-CE2 3.79Å; Y1175-G1177 PolarHBondContact O-N 3.42Å; Y1175-R1178 PolarHBondContact O-N 2.93Å
1176	R	77.8	Confident	86.9	Confident	207 Å²	207	49.4 Å²	49.4	78%	0.781	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	136.7	-178.7	-68.3	-178.7	177.7	-178.8	0.1	111.9
1177	G	73.6	Confident	87	Confident	86 Å²	86	49.6 Å²	49.6	89%	0.887	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.7	-10.3	179.9	0	0	0	0	0	115.2	Y1175	Y1175-G1177 PolarHBondContact O-N 3.42Å
1178	R	80.4	Confident	87.1	Confident	174 Å²	174	49.7 Å²	49.7	66%	0.657	27%	0.269	S	S	*	.	S	Bend	trans	-85.2	150.7	168.3	-67.4	-172.7	176.5	-167.2	-1.5	111.1	Y1175	Y1175-R1178 PolarHBondContact O-N 2.93Å
1179	P	83.9	Confident	87.3	Confident	98 Å²	98	49.9 Å²	49.9	64%	0.636	27%	0.27	S	S	*	.			trans	-65.1	134.3	174.7	26.9	-34.3	0	0	0	111	P1192	P1179-P1192 HydrophobicContact CB-CG 4.15Å; P1179-P1192 HydrophobicContact CG-CG 4.02Å
1180	V	89.9	Confident	87.6	Confident	48 Å²	48	49.6 Å²	49.6	29%	0.291	27%	0.268	S	S	.	.			trans	-133	129.6	-177.9	176	0	0	0	0	109.1	L1174 K1182 C1189	L1174-V1180 HydrophobicContact CB-CG2 4.11Å; L1174-V1180 HydrophobicContact CD1-CG1 4.1Å; L1174-V1180 HydrophobicContact CD1-CG2 4.1Å; V1180-K1182 HydrophobicContact CG1-CG 4.38Å; V1180-C1189 HydrophobicContact CG1-CB 3.61Å
1181	E	92.1	Very high	87.8	Confident	45 Å²	45	49.3 Å²	49.3	21%	0.21	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.4	171.2	-66.5	-70.8	169.3	0	0	109.3	C1189 Y1190 K1195 I1207 G1208	E1181-C1189 CarbonylContact O-C 3.55Å; E1181-Y1190 PolarHBondContact N-O 3.24Å; E1181-Y1190 PolarHBondContact O-N 2.89Å; E1181-K1195 HydrophobicContact CG-CB 4.19Å; E1181-K1195 HydrophobicContact CG-CD 4.5Å; E1181-K1195 HydrophobicContact CG-CG 4.34Å; E1181-K1195 WeakPolarHBondContact OE1-CD 3.35Å; E1181-K1195 IonicContact OE1-NZ 2.66Å; E1181-K1195 PolarHBondContact OE1-NZ 3.38Å; E1181-K1195 IonicContact OE2-NZ 3.44Å; E1181-K1195 PolarHBondContact OE2-NZ 2.65Å; E1181-I1207 HydrophobicContact CB-CG2 3.96Å; E1181-G1208 WeakPolarHBondContact OE2-CA 3.4Å
1182	K	92.6	Very high	87.8	Confident	113 Å²	113	51 Å²	51	49%	0.491	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.1	-176.8	-67	-172.3	179	-171.9	0	112.2	V1180 A1188 G1208	V1180-K1182 HydrophobicContact CG1-CG 4.38Å; K1182-A1188 WeakPolarHBondContact CA-O 3.3Å; K1182-G1208 PolarHBondContact O-N 3.37Å
1183	C	92.9	Very high	88	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	29%	0.292	C	S	.	.			trans	-71.3	125.8	165.6	170.1	0	0	0	0	109.8	L1185 S1186 G1187 A1188 Y1190 C1199 T1205	C1183-L1185 VanDerWaalsContact C-N 3.33Å; C1183-L1185 PolarHBondContact O-N 3.49Å; C1183-S1186 WeakPolarHBondContact CB-OG 3.43Å; C1183-S1186 PolarHBondContact SG-N 3.15Å; C1183-S1186 VanDerWaalsContact SG-N 3.41Å; C1183-S1186 PolarHBondContact SG-OG 3.47Å; C1183-G1187 VanDerWaalsContact O-CA 3.27Å; C1183-G1187 WeakPolarHBondContact O-CA 3.38Å; C1183-G1187 PolarHBondContact O-N 3.47Å; C1183-A1188 HydrophobicContact CB-CB 4.29Å; C1183-A1188 PolarHBondContact N-O 3.14Å; C1183-Y1190 HydrophobicContact CB-CE2 4.16Å; C1183-C1199 HydrophobicContact CB-CB 4.21Å; C1183-T1205 PolarHBondContact SG-OG1 2.69Å
1184	P	91.4	Very high	88.2	Confident	36 Å²	36	54.9 Å²	54.9	23%	0.234	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32	-176.2	-22.9	33.2	0	0	0	114.8	E1206 K1209 V1211	P1184-E1206 WeakPolarHBondContact CD-O 3.4Å; P1184-K1209 HydrophobicContact CG-CB 4.32Å; P1184-K1209 WeakPolarHBondContact CG-O 3.46Å; P1184-V1211 HydrophobicContact CB-CG1 4.02Å; P1184-V1211 HydrophobicContact CB-CG2 3.64Å; P1184-V1211 HydrophobicContact CG-CG1 4.22Å; P1184-V1211 HydrophobicContact CG-CG2 4.47Å
1185	L	91.9	Very high	88.5	Confident	9 Å²	9	59.3 Å²	59.3	5%	0.047	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-52.6	179.2	177	58.5	0	0	0	112.9	V945 L1031 P1035 I1052 C1183 T1202 T1205 L1214	V945-L1185 HydrophobicContact CB-CB 4.32Å; V945-L1185 HydrophobicContact CB-CD1 4.29Å; V945-L1185 HydrophobicContact CG1-CD1 4.09Å; L1031-L1185 HydrophobicContact CD2-CD2 3.76Å; L1031-L1185 HydrophobicContact CD2-CG 4.08Å; P1035-L1185 HydrophobicContact CG-CD1 3.65Å; P1035-L1185 HydrophobicContact CG-CD2 4.2Å; I1052-L1185 HydrophobicContact CD1-CD1 4.24Å; I1052-L1185 WeakPolarHBondContact CG2-O 3.37Å; C1183-L1185 VanDerWaalsContact C-N 3.33Å; C1183-L1185 PolarHBondContact O-N 3.49Å; L1185-T1202 HydrophobicContact CB-CG2 4.5Å; L1185-T1202 HydrophobicContact CD2-CG2 4.36Å; L1185-T1205 HydrophobicContact CB-CG2 3.68Å; L1185-T1205 HydrophobicContact CD2-CG2 4.1Å; L1185-L1214 HydrophobicContact CD1-CD1 4.39Å
1186	S	90.2	Very high	88.8	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.021	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-16.4	-173.3	67.7	0	0	0	0	114.2	R1056 C1183 A1188	R1056-S1186 WeakPolarHBondContact CD-O 3.35Å; R1056-S1186 PolarHBondContact NH1-O 2.79Å; C1183-S1186 WeakPolarHBondContact CB-OG 3.43Å; C1183-S1186 PolarHBondContact SG-N 3.15Å; C1183-S1186 VanDerWaalsContact SG-N 3.41Å; C1183-S1186 PolarHBondContact SG-OG 3.47Å; S1186-A1188 PolarHBondContact O-N 3.33Å; S1186-A1188 VanDerWaalsContact OG-CB 3.29Å; S1186-A1188 WeakPolarHBondContact OG-CB 3.46Å; S1186-A1188 PolarHBondContact OG-N 3.3Å
1187	G	89.8	Confident	89.5	Confident	27 Å²	27	53.9 Å²	53.9	28%	0.278	31%	0.314	S	S	.	.			trans	67	11.3	-169.3	0	0	0	0	0	114	C1183	C1183-G1187 VanDerWaalsContact O-CA 3.27Å; C1183-G1187 WeakPolarHBondContact O-CA 3.38Å; C1183-G1187 PolarHBondContact O-N 3.47Å
1188	A	91.3	Very high	90.5	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.017	29%	0.293	C	S	.	.			trans	-64.8	134.7	178.1	0	0	0	0	0	111.9	R1056 A1168 K1182 C1183 S1186 Y1190 V1201	R1056-A1188 HydrophobicContact CG-CB 4.09Å; A1168-A1188 HydrophobicContact CB-CB 4.28Å; K1182-A1188 WeakPolarHBondContact CA-O 3.3Å; C1183-A1188 HydrophobicContact CB-CB 4.29Å; C1183-A1188 PolarHBondContact N-O 3.14Å; S1186-A1188 PolarHBondContact O-N 3.33Å; S1186-A1188 VanDerWaalsContact OG-CB 3.29Å; S1186-A1188 WeakPolarHBondContact OG-CB 3.46Å; S1186-A1188 PolarHBondContact OG-N 3.3Å; A1188-Y1190 HydrophobicContact CB-CE2 3.96Å; A1188-Y1190 WeakPolarHBondContact O-CD2 3.3Å; A1188-V1201 HydrophobicContact CB-CG2 3.91Å
1189	C	92.4	Very high	91	Very high	11 Å²	11	45.6 Å²	45.6	7%	0.074	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	145.1	-178.1	-63.9	0	0	0	0	111.8	D1165 C1167 A1168 L1174 V1180 E1181	D1165-C1189 HydrophobicContact CB-CB 3.94Å; D1165-C1189 PolarHBondContact OD2-SG 3.38Å; C1167-C1189 WeakPolarHBondContact CA-O 3.49Å; A1168-C1189 PolarHBondContact N-O 2.96Å; L1174-C1189 HydrophobicContact CD1-CB 3.92Å; V1180-C1189 HydrophobicContact CG1-CB 3.61Å; E1181-C1189 CarbonylContact O-C 3.55Å
1190	Y	92.7	Very high	91.3	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151	-179.1	-71.4	-83.6	0	0	0	111.1	A1168 A1169 E1181 C1183 A1188 Y1194 C1199 R1200 I1207	A1168-Y1190 HydrophobicContact CB-CE1 3.85Å; A1168-Y1190 HydrophobicContact CB-CE2 4.4Å; A1169-Y1190 HydrophobicContact CB-CD1 3.87Å; A1169-Y1190 HydrophobicContact CB-CE1 3.82Å; E1181-Y1190 PolarHBondContact N-O 3.24Å; E1181-Y1190 PolarHBondContact O-N 2.89Å; C1183-Y1190 HydrophobicContact CB-CE2 4.16Å; A1188-Y1190 HydrophobicContact CB-CE2 3.96Å; A1188-Y1190 WeakPolarHBondContact O-CD2 3.3Å; Y1190-Y1194 HydrophobicContact CD1-CD2 4.49Å; Y1190-Y1194 HydrophobicContact CD1-CG 4.46Å; Y1190-C1199 PolarHBondContact OH-SG 2.71Å; Y1190-R1200 PolarHBondContact OH-N 2.69Å; Y1190-R1200 VanDerWaalsContact OH-N 3.16Å; Y1190-I1207 HydrophobicContact CD1-CD1 3.76Å; Y1190-I1207 HydrophobicContact CD2-CD1 3.83Å; Y1190-I1207 HydrophobicContact CD2-CG1 3.87Å; Y1190-I1207 HydrophobicContact CD2-CG2 3.82Å; Y1190-I1207 HydrophobicContact CE1-CD1 3.83Å; Y1190-I1207 HydrophobicContact CE2-CD1 3.88Å; Y1190-I1207 HydrophobicContact CE2-CG1 3.89Å; Y1190-I1207 HydrophobicContact CG-CD1 3.78Å; Y1190-I1207 HydrophobicContact CG-CG1 4.28Å; Y1190-I1207 HydrophobicContact CG-CG2 4.02Å
1191	C	90.2	Very high	91.3	Very high	24 Å²	24	45.5 Å²	45.5	16%	0.162	24%	0.244	C	C	.	.			trans	-65.6	147.8	167.3	-53.2	0	0	0	0	110.4	C1167 P1193 Y1194	C1167-C1191 PolarHBondContact SG-N 2.69Å; C1191-P1193 HydrophobicContact CB-CG 4.12Å; C1191-P1193 VanDerWaalsContact O-N 3.15Å; C1191-Y1194 HydrophobicContact CB-CD2 3.93Å; C1191-Y1194 HydrophobicContact CB-CE2 4.12Å; C1191-Y1194 PolarHBondContact O-N 2.85Å
1192	P	89.3	Confident	91.2	Very high	55 Å²	55	43.4 Å²	43.4	36%	0.357	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-45.1	-40.2	176.5	-30.8	36	0	0	0	118	P1179 Y1194 K1195	P1179-P1192 HydrophobicContact CB-CG 4.15Å; P1179-P1192 HydrophobicContact CG-CG 4.02Å; P1192-Y1194 PolarHBondContact O-N 3.07Å; P1192-K1195 WeakPolarHBondContact O-CB 3.45Å; P1192-K1195 PolarHBondContact O-N 3.47Å
1193	P	90.4	Very high	91.2	Very high	98 Å²	98	42.3 Å²	42.3	64%	0.636	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-64.8	-8	178.6	25.3	-37.3	0	0	0	115.5	C1191 Q1197	C1191-P1193 HydrophobicContact CB-CG 4.12Å; C1191-P1193 VanDerWaalsContact O-N 3.15Å; P1193-Q1197 PolarHBondContact O-NE2 3.37Å
1194	Y	90.8	Very high	91.2	Very high	52 Å²	52	42.2 Å²	42.2	20%	0.204	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-93.7	1.9	174.2	-60.9	-70	0	0	0	113.6	A1169 Y1190 C1191 P1192 Q1197 I1207	A1169-Y1194 HydrophobicContact CB-CD1 4.03Å; A1169-Y1194 HydrophobicContact CB-CD2 4.04Å; A1169-Y1194 HydrophobicContact CB-CE1 3.81Å; A1169-Y1194 HydrophobicContact CB-CE2 3.8Å; A1169-Y1194 HydrophobicContact CB-CG 4.15Å; Y1190-Y1194 HydrophobicContact CD1-CD2 4.49Å; Y1190-Y1194 HydrophobicContact CD1-CG 4.46Å; C1191-Y1194 HydrophobicContact CB-CD2 3.93Å; C1191-Y1194 HydrophobicContact CB-CE2 4.12Å; C1191-Y1194 PolarHBondContact O-N 2.85Å; P1192-Y1194 PolarHBondContact O-N 3.07Å; Y1194-Q1197 WeakPolarHBondContact O-CB 3.4Å; Y1194-Q1197 PolarHBondContact O-N 3.33Å; Y1194-I1207 WeakPolarHBondContact O-CB 3.4Å; Y1194-I1207 WeakPolarHBondContact O-CD1 3.34Å
1195	K	90.9	Very high	91.3	Very high	110 Å²	110	40.5 Å²	40.5	48%	0.478	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.6	173.5	-163	-178.7	-170.6	110.7	0	110.6	E1181 P1192 Q1197 G1208	E1181-K1195 HydrophobicContact CG-CB 4.19Å; E1181-K1195 HydrophobicContact CG-CD 4.5Å; E1181-K1195 HydrophobicContact CG-CG 4.34Å; E1181-K1195 WeakPolarHBondContact OE1-CD 3.35Å; E1181-K1195 IonicContact OE1-NZ 2.66Å; E1181-K1195 PolarHBondContact OE1-NZ 3.38Å; E1181-K1195 IonicContact OE2-NZ 3.44Å; E1181-K1195 PolarHBondContact OE2-NZ 2.65Å; P1192-K1195 WeakPolarHBondContact O-CB 3.45Å; P1192-K1195 PolarHBondContact O-N 3.47Å; K1195-Q1197 PolarHBondContact O-N 3.14Å; K1195-G1208 WeakPolarHBondContact CE-O 3.32Å; K1195-G1208 PolarHBondContact NZ-O 2.85Å
1196	G	90.2	Very high	91.4	Very high	45 Å²	45	42.6 Å²	42.6	46%	0.464	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-4.6	-177.1	0	0	0	0	0	115.2	I1207	G1196-I1207 PolarHBondContact N-O 3.35Å
1197	Q	93.8	Very high	91.6	Very high	92 Å²	92	42.6 Å²	42.6	43%	0.43	23%	0.228	S	C	.	.	S	Bend	trans	-86.7	161	172.6	-58.9	-173.3	18.8	0	0	111.4	P1193 Y1194 K1195 I1207	P1193-Q1197 PolarHBondContact O-NE2 3.37Å; Y1194-Q1197 WeakPolarHBondContact O-CB 3.4Å; Y1194-Q1197 PolarHBondContact O-N 3.33Å; K1195-Q1197 PolarHBondContact O-N 3.14Å; Q1197-I1207 HydrophobicContact CB-CD1 4.42Å; Q1197-I1207 WeakPolarHBondContact O-CG1 3.23Å; Q1197-I1207 PolarHBondContact O-N 3.1Å
1198	I	92.8	Very high	91.5	Very high	86 Å²	86	42 Å²	42	44%	0.441	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-70.7	130	174.1	-59.6	176.1	0	0	0	109.9	N949 R1200 Q1203	N949-I1198 HydrophobicContact CB-CD1 4.34Å; I1198-R1200 PolarHBondContact O-N 3.4Å; I1198-Q1203 VanDerWaalsContact CG2-C 3.47Å; I1198-Q1203 WeakPolarHBondContact CG2-O 3.21Å
1199	C	92.3	Very high	91.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-61.3	119.6	178	174.8	0	0	0	0	111.9	C1183 Y1190 V1201 T1202 Q1203 T1205 I1207	C1183-C1199 HydrophobicContact CB-CB 4.21Å; Y1190-C1199 PolarHBondContact OH-SG 2.71Å; C1199-V1201 PolarHBondContact O-N 2.76Å; C1199-T1202 WeakPolarHBondContact CB-OG1 3.44Å; C1199-T1202 PolarHBondContact O-N 3.01Å; C1199-Q1203 VanDerWaalsContact O-CA 3.3Å; C1199-Q1203 WeakPolarHBondContact O-CA 3.27Å; C1199-Q1203 PolarHBondContact O-N 3.07Å; C1199-T1205 VanDerWaalsContact CB-O 3.31Å; C1199-T1205 WeakPolarHBondContact CB-O 3.42Å; C1199-T1205 WeakPolarHBondContact CB-OG1 3.39Å; C1199-T1205 PolarHBondContact N-O 3.41Å; C1199-I1207 HydrophobicContact CB-CG1 3.98Å
1200	R	89.3	Confident	91.4	Very high	142 Å²	142	51.6 Å²	51.6	54%	0.536	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.4	178.2	-64.1	-169.7	-178	-176.5	-6.3	114.7	A1169 Y1190 I1198	A1169-R1200 PolarHBondContact O-NH1 2.83Å; Y1190-R1200 PolarHBondContact OH-N 2.69Å; Y1190-R1200 VanDerWaalsContact OH-N 3.16Å; I1198-R1200 PolarHBondContact O-N 3.4Å
1201	V	90.7	Very high	91.4	Very high	3 Å²	3	54 Å²	54	2%	0.018	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-50.9	176.5	176.9	0	0	0	0	110.5	R1028 L1031 I1059 V1060 A1168 A1188 C1199	R1028-V1201 PolarHBondContact NE-O 2.81Å; L1031-V1201 HydrophobicContact CD1-CG1 4.28Å; I1059-V1201 HydrophobicContact CB-CG1 4.14Å; I1059-V1201 HydrophobicContact CD1-CG1 4.01Å; I1059-V1201 HydrophobicContact CG2-CB 4.32Å; I1059-V1201 HydrophobicContact CG2-CG1 3.88Å; I1059-V1201 HydrophobicContact CG2-CG2 4.4Å; V1060-V1201 HydrophobicContact CG2-CG2 3.67Å; A1168-V1201 HydrophobicContact CB-CG2 3.86Å; A1188-V1201 HydrophobicContact CB-CG2 3.91Å; C1199-V1201 PolarHBondContact O-N 2.76Å
1202	T	89.5	Confident	91.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-26.2	-172.8	70.2	0	0	0	0	113.5	L1031 L1185 C1199 V1204 T1205	L1031-T1202 HydrophobicContact CD2-CG2 3.74Å; L1185-T1202 HydrophobicContact CB-CG2 4.5Å; L1185-T1202 HydrophobicContact CD2-CG2 4.36Å; C1199-T1202 WeakPolarHBondContact CB-OG1 3.44Å; C1199-T1202 PolarHBondContact O-N 3.01Å; T1202-V1204 PolarHBondContact O-N 2.77Å; T1202-V1204 VanDerWaalsContact O-N 3.12Å; T1202-V1204 PolarHBondContact OG1-N 3.09Å; T1202-T1205 PolarHBondContact OG1-N 2.75Å; T1202-T1205 PolarHBondContact OG1-OG1 3.41Å
1203	Q	92.1	Very high	91.2	Very high	90 Å²	90	56.3 Å²	56.3	42%	0.421	30%	0.296	S	S	.	.	S	Bend	trans	59.8	4.1	-171.3	-63.4	178	-42.3	0	0	115.7	R1028 I1198 C1199	R1028-Q1203 VanDerWaalsContact CD-OE1 3.27Å; R1028-Q1203 VanDerWaalsContact CZ-CD 3.43Å; R1028-Q1203 VanDerWaalsContact CZ-OE1 3.26Å; I1198-Q1203 VanDerWaalsContact CG2-C 3.47Å; I1198-Q1203 WeakPolarHBondContact CG2-O 3.21Å; C1199-Q1203 VanDerWaalsContact O-CA 3.3Å; C1199-Q1203 WeakPolarHBondContact O-CA 3.27Å; C1199-Q1203 PolarHBondContact O-N 3.07Å
1204	V	92.4	Very high	91.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-124.2	-30.3	-172.8	-60.3	0	0	0	0	114.2	V947 V948 N949 P952 Y953 L1032 T1202	V947-V1204 HydrophobicContact CG1-CB 4.17Å; V947-V1204 HydrophobicContact CG2-CG2 4.12Å; V948-V1204 PolarHBondContact N-O 3.21Å; N949-V1204 PolarHBondContact N-O 2.8Å; N949-V1204 VanDerWaalsContact N-O 3.09Å; N949-V1204 VanDerWaalsContact O-CB 3.27Å; N949-V1204 WeakPolarHBondContact O-CB 3.17Å; N949-V1204 WeakPolarHBondContact O-CG1 3.38Å; P952-V1204 HydrophobicContact CB-CG1 3.86Å; P952-V1204 HydrophobicContact CG-CG1 3.63Å; Y953-V1204 HydrophobicContact CD2-CG1 4.17Å; Y953-V1204 HydrophobicContact CE2-CB 4.06Å; Y953-V1204 HydrophobicContact CE2-CG1 4.04Å; Y953-V1204 HydrophobicContact CE2-CG2 3.89Å; L1032-V1204 HydrophobicContact CD1-CG1 4.34Å; L1032-V1204 HydrophobicContact CD2-CB 4.36Å; L1032-V1204 HydrophobicContact CD2-CG1 3.95Å; L1032-V1204 HydrophobicContact CD2-CG2 3.44Å; L1032-V1204 VanDerWaalsContact CD2-CG2 3.44Å; T1202-V1204 PolarHBondContact O-N 2.77Å; T1202-V1204 VanDerWaalsContact O-N 3.12Å; T1202-V1204 PolarHBondContact OG1-N 3.09Å
1205	T	94.1	Very high	91.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-100.1	145.8	-172.1	56.8	0	0	0	0	113.2	V945 G946 V947 C1183 L1185 C1199 T1202	V945-T1205 VanDerWaalsContact O-CG2 3.24Å; V945-T1205 WeakPolarHBondContact O-CG2 3.46Å; G946-T1205 VanDerWaalsContact O-CA 3.25Å; G946-T1205 WeakPolarHBondContact O-CA 3.5Å; V947-T1205 HydrophobicContact CG2-CG2 3.97Å; C1183-T1205 PolarHBondContact SG-OG1 2.69Å; L1185-T1205 HydrophobicContact CB-CG2 3.68Å; L1185-T1205 HydrophobicContact CD2-CG2 4.1Å; C1199-T1205 VanDerWaalsContact CB-O 3.31Å; C1199-T1205 WeakPolarHBondContact CB-O 3.42Å; C1199-T1205 WeakPolarHBondContact CB-OG1 3.39Å; C1199-T1205 PolarHBondContact N-O 3.41Å; T1202-T1205 PolarHBondContact OG1-N 2.75Å; T1202-T1205 PolarHBondContact OG1-OG1 3.41Å
1206	E	94.2	Very high	91.1	Very high	54 Å²	54	48.3 Å²	48.3	25%	0.252	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-75.7	138.8	171.5	-166.2	-179.9	164.5	0	0	111.6	G946 V948 P1184 K1209	G946-E1206 PolarHBondContact O-N 2.97Å; V948-E1206 HydrophobicContact CG2-CB 3.92Å; P1184-E1206 WeakPolarHBondContact CD-O 3.4Å; E1206-K1209 HydrophobicContact CB-CB 4.23Å; E1206-K1209 HydrophobicContact CB-CD 4.23Å; E1206-K1209 HydrophobicContact CG-CB 4.46Å; E1206-K1209 WeakPolarHBondContact OE2-CD 3.45Å; E1206-K1209 IonicContact OE2-NZ 2.68Å; E1206-K1209 PolarHBondContact OE2-NZ 3.06Å
1207	I	94.2	Very high	91	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	130	179.6	-63.2	161.9	0	0	0	110.5	E1181 Y1190 Y1194 G1196 Q1197 C1199	E1181-I1207 HydrophobicContact CB-CG2 3.96Å; Y1190-I1207 HydrophobicContact CD1-CD1 3.76Å; Y1190-I1207 HydrophobicContact CD2-CD1 3.83Å; Y1190-I1207 HydrophobicContact CD2-CG1 3.87Å; Y1190-I1207 HydrophobicContact CD2-CG2 3.82Å; Y1190-I1207 HydrophobicContact CE1-CD1 3.83Å; Y1190-I1207 HydrophobicContact CE2-CD1 3.88Å; Y1190-I1207 HydrophobicContact CE2-CG1 3.89Å; Y1190-I1207 HydrophobicContact CG-CD1 3.78Å; Y1190-I1207 HydrophobicContact CG-CG1 4.28Å; Y1190-I1207 HydrophobicContact CG-CG2 4.02Å; Y1194-I1207 WeakPolarHBondContact O-CB 3.4Å; Y1194-I1207 WeakPolarHBondContact O-CD1 3.34Å; G1196-I1207 PolarHBondContact N-O 3.35Å; Q1197-I1207 HydrophobicContact CB-CD1 4.42Å; Q1197-I1207 WeakPolarHBondContact O-CG1 3.23Å; Q1197-I1207 PolarHBondContact O-N 3.1Å; C1199-I1207 HydrophobicContact CB-CG1 3.98Å
1208	G	88.6	Confident	90.5	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	22.8	174.5	0	0	0	0	0	114.8	E1181 K1182 K1195	E1181-G1208 WeakPolarHBondContact OE2-CA 3.4Å; K1182-G1208 PolarHBondContact O-N 3.37Å; K1195-G1208 WeakPolarHBondContact CE-O 3.32Å; K1195-G1208 PolarHBondContact NZ-O 2.85Å
1209	K	90.9	Very high	90.1	Very high	54 Å²	54	43.7 Å²	43.7	24%	0.235	22%	0.223	C	C	.	.			trans	-85.6	136.3	175.5	-168.4	-179.2	-160.3	128.5	0	111.5	H942 P1184 E1206 V1211	H942-K1209 PolarHBondContact CE1-NZ 2.89Å; H942-K1209 WeakPolarHBondContact NE2-CE 3.34Å; H942-K1209 PolarHBondContact NE2-NZ 3.18Å; P1184-K1209 HydrophobicContact CG-CB 4.32Å; P1184-K1209 WeakPolarHBondContact CG-O 3.46Å; E1206-K1209 HydrophobicContact CB-CB 4.23Å; E1206-K1209 HydrophobicContact CB-CD 4.23Å; E1206-K1209 HydrophobicContact CG-CB 4.46Å; E1206-K1209 WeakPolarHBondContact OE2-CD 3.45Å; E1206-K1209 IonicContact OE2-NZ 2.68Å; E1206-K1209 PolarHBondContact OE2-NZ 3.06Å; K1209-V1211 HydrophobicContact CG-CG1 4.49Å
1210	D	90.1	Very high	89.6	Confident	161 Å²	161	45.2 Å²	45.2	86%	0.861	23%	0.23	S	C	*	.			trans	-73.6	130.4	173.5	-64	-42.4	0	0	0	110.9
1211	V	92.4	Very high	89.1	Confident	51 Å²	51	42.9 Å²	42.9	31%	0.309	22%	0.224	S	C	.	.			trans	-144.8	163.2	-174.8	-59	0	0	0	0	111.9	D943 P1184 K1209 G1213	D943-V1211 WeakPolarHBondContact O-CB 3.42Å; P1184-V1211 HydrophobicContact CB-CG1 4.02Å; P1184-V1211 HydrophobicContact CB-CG2 3.64Å; P1184-V1211 HydrophobicContact CG-CG1 4.22Å; P1184-V1211 HydrophobicContact CG-CG2 4.47Å; K1209-V1211 HydrophobicContact CG-CG1 4.49Å; V1211-G1213 VanDerWaalsContact C-N 3.25Å; V1211-G1213 PolarHBondContact O-N 3.15Å
1212	I	88.4	Confident	87.8	Confident	103 Å²	103	55.4 Å²	55.4	53%	0.528	27%	0.271	S	S	.	.			trans	-71.9	-20.2	176.5	-58.2	167.7	0	0	0	112.1	D943 R1215	D943-I1212 HydrophobicContact CB-CD1 4.24Å; D943-I1212 PolarHBondContact O-N 3.34Å; I1212-R1215 PolarHBondContact O-NH2 3.06Å
1213	G	87.3	Confident	87.7	Confident	24 Å²	24	58.2 Å²	58.2	25%	0.247	29%	0.285	C	S	.	.			trans	87.2	157.9	-176	0	0	0	0	0	113.1	Q944 V1211 R1215	Q944-G1213 CarbonylContact O-C 3.58Å; Q944-G1213 WeakPolarHBondContact O-CA 3.4Å; Q944-G1213 PolarHBondContact O-N 3.4Å; V1211-G1213 VanDerWaalsContact C-N 3.25Å; V1211-G1213 PolarHBondContact O-N 3.15Å; G1213-R1215 WeakPolarHBondContact O-CG 3.42Å; G1213-R1215 PolarHBondContact O-N 3.41Å; G1213-R1215 PolarHBondContact O-NE 2.59Å
1214	L	89.9	Confident	87.5	Confident	24 Å²	24	56.5 Å²	56.5	13%	0.126	28%	0.277	C	S	.	.			trans	-51.8	118.8	-173.6	-178.1	71.7	0	0	0	113.5	V945 V1034 P1035 Q1049 I1052 L1185 V1216 Q1220	V945-L1214 HydrophobicContact CG1-CB 4.2Å; V945-L1214 HydrophobicContact CG1-CD1 3.96Å; V1034-L1214 HydrophobicContact CG1-CD2 4.35Å; P1035-L1214 HydrophobicContact CB-CD1 4.23Å; P1035-L1214 HydrophobicContact CG-CD1 4.13Å; Q1049-L1214 HydrophobicContact CG-CD2 4.45Å; I1052-L1214 HydrophobicContact CD1-CD2 3.63Å; L1185-L1214 HydrophobicContact CD1-CD1 4.39Å; L1214-V1216 HydrophobicContact CD1-CG1 3.93Å; L1214-V1216 HydrophobicContact CD2-CG1 4.47Å; L1214-V1216 HydrophobicContact CG-CG1 4.07Å; L1214-Q1220 PolarHBondContact O-NE2 3.32Å
1215	R	90.5	Very high	87.2	Confident	69 Å²	69	59.7 Å²	59.7	26%	0.26	29%	0.293	S	S	.	.			trans	-116.1	107.3	173.4	-52.3	-61.9	159.2	154.4	-5.3	110.6	Q944 I1212 G1213 Q1220 F1221	Q944-R1215 HydrophobicContact CG-CG 4.31Å; I1212-R1215 PolarHBondContact O-NH2 3.06Å; G1213-R1215 WeakPolarHBondContact O-CG 3.42Å; G1213-R1215 PolarHBondContact O-N 3.41Å; G1213-R1215 PolarHBondContact O-NE 2.59Å; R1215-Q1220 PolarHBondContact NH1-O 2.91Å; R1215-F1221 HydrophobicContact CB-CE1 4.2Å; R1215-F1221 HydrophobicContact CB-CE2 3.75Å; R1215-F1221 HydrophobicContact CB-CZ 3.43Å; R1215-F1221 VanDerWaalsContact CB-CZ 3.43Å; R1215-F1221 HydrophobicContact CG-CE1 4.02Å; R1215-F1221 HydrophobicContact CG-CE2 4.35Å; R1215-F1221 HydrophobicContact CG-CZ 3.78Å
1216	V	89.5	Confident	86.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.31	C	S	.	.			trans	-120.3	-0.1	178.3	-69.6	0	0	0	0	112.5	V1034 L1037 V1038 V1039 L1214	V1034-V1216 WeakPolarHBondContact O-CG1 3.24Å; L1037-V1216 HydrophobicContact CB-CG1 4.44Å; V1038-V1216 WeakPolarHBondContact CA-O 3.41Å; V1039-V1216 HydrophobicContact CG2-CB 4.14Å; V1039-V1216 HydrophobicContact CG2-CG2 3.66Å; V1039-V1216 PolarHBondContact N-O 2.81Å; L1214-V1216 HydrophobicContact CD1-CG1 3.93Å; L1214-V1216 HydrophobicContact CD2-CG1 4.47Å; L1214-V1216 HydrophobicContact CG-CG1 4.07Å
1217	S	88.5	Confident	86.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-133	141.1	177.9	-173.8	0	0	0	0	112	V1039 L1219 Q1220	V1039-S1217 WeakPolarHBondContact O-CA 3.44Å; V1039-S1217 WeakPolarHBondContact O-CB 3.22Å; V1039-S1217 PolarHBondContact O-OG 3.38Å; S1217-L1219 PolarHBondContact O-N 3.06Å; S1217-L1219 VanDerWaalsContact O-N 3.16Å; S1217-L1219 PolarHBondContact OG-N 2.83Å; S1217-Q1220 WeakPolarHBondContact O-CB 3.2Å; S1217-Q1220 PolarHBondContact O-N 3.12Å
1218	P	82.4	Confident	85.9	Confident	53 Å²	53	67.9 Å²	67.9	34%	0.344	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-55.1	-27.9	168	-24	34.9	0	0	0	113.3	L924 Q1220 F1221	L924-P1218 HydrophobicContact CD1-CG 4.07Å; P1218-Q1220 PolarHBondContact O-N 3.21Å; P1218-F1221 PolarHBondContact O-N 3Å
1219	L	84.6	Confident	85.7	Confident	72 Å²	72	71.6 Å²	71.6	38%	0.377	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-63.4	-21.1	176.7	-66.3	-176	0	0	0	113.6	D1040 K1042 S1217 F1221	D1040-L1219 WeakPolarHBondContact O-CD1 3.33Å; K1042-L1219 HydrophobicContact CG-CD1 4.48Å; S1217-L1219 PolarHBondContact O-N 3.06Å; S1217-L1219 VanDerWaalsContact O-N 3.16Å; S1217-L1219 PolarHBondContact OG-N 2.83Å; L1219-F1221 VanDerWaalsContact C-N 3.28Å
1220	Q	82.4	Confident	85.3	Confident	33 Å²	33	73 Å²	73	15%	0.154	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-84.8	0	179.9	-60.8	175.5	-82.6	0	0	113.2	I1045 L1214 R1215 S1217 P1218	I1045-Q1220 HydrophobicContact CD1-CG 3.88Å; L1214-Q1220 PolarHBondContact O-NE2 3.32Å; R1215-Q1220 PolarHBondContact NH1-O 2.91Å; S1217-Q1220 WeakPolarHBondContact O-CB 3.2Å; S1217-Q1220 PolarHBondContact O-N 3.12Å; P1218-Q1220 PolarHBondContact O-N 3.21Å
1221	F	79	Confident	84.9	Confident	92 Å²	92	65.7 Å²	65.7	40%	0.404	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-107.9	5.1	175.1	-61.6	-86.5	0	0	0	112.9	Q923 L924 R1215 P1218 L1219	Q923-F1221 HydrophobicContact CB-CD1 4.11Å; Q923-F1221 HydrophobicContact CB-CE1 3.69Å; Q923-F1221 HydrophobicContact CB-CE2 4.39Å; Q923-F1221 HydrophobicContact CB-CZ 3.83Å; Q923-F1221 WeakPolarHBondContact O-CZ 3.47Å; L924-F1221 HydrophobicContact CD2-CE2 3.85Å; L924-F1221 HydrophobicContact CG-CE2 4.32Å; R1215-F1221 HydrophobicContact CB-CE1 4.2Å; R1215-F1221 HydrophobicContact CB-CE2 3.75Å; R1215-F1221 HydrophobicContact CB-CZ 3.43Å; R1215-F1221 VanDerWaalsContact CB-CZ 3.43Å; R1215-F1221 HydrophobicContact CG-CE1 4.02Å; R1215-F1221 HydrophobicContact CG-CE2 4.35Å; R1215-F1221 HydrophobicContact CG-CZ 3.78Å; P1218-F1221 PolarHBondContact O-N 3Å; L1219-F1221 VanDerWaalsContact C-N 3.28Å
1222	R	63.5	Low	84.2	Confident	267 Å²	267	67 Å²	67	100%	1.008	31%	0.313	S	S	*	.			trans	-104.9	0	172.4	-63	-177.3	-178.8	178.4	1.2	110.1

Retrieved 1,222 of 1,222 residues in 1350.9 ms (Link to these results)

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