A0A096NP91_PAPAN 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 (A0A2K5KVE1), UniProt , Accession A0A096NP91, Species PAPAN (Papio anubis, Olive baboon), Gene COPA, Length 1,233 aa.

						>A0A096NP91_PAPAN|A0A096NP91|COPA
MLTKFETKSARVKGLSFHPKRPWILTSLHNGVIQLWDYRMCTLIDKFDEHDGPVRGIDFHKQQPLFVSGGDDYKIKVWNYKLRRCLFTLLGHLDYIRTTFFHHEYPWILSASDDQTIRVWNWQSRTCVCVLTGHNHYVMCAQFHPSEDLVVSASLDQTVRVWDISGLRKKNLSPGAVESDVRGITGVDLFGTTDAVVKHVLEGHDRGVNWAAFHPTMPLIVSGADDRQVKIWRMNESKAWEVDTCRGHYNNVSCAVFHPRQELILSNSEDKSIRVWDMSKRTGVQTFRRDHDRFWVLAAHPNLNLFAAGHDGGMIVFKLERERPAYAVHGNMLHYVKDRFLRQLDFNSSKDVAVMQLRSGSKFPVFNMSYNPAENAVLLCTRASNLENSTYDLYTIPKDADSQNPDAPEGKRSSGLTAVWVARNRFAVLDRMHSLLIKNLKNEITKKVQVPNCDEIFYAGTGNLLLRDADSITLFDVQQKRTLASVKISKVKYVIWSADMSHVALLAKHEHSCPLPLTAIVICNRKLDALCNIHENIRVKSGAWDESGVFIYTTSNHIKYAVTTGDHGIIRTLDLPIYVTRVKGNNVYCLDRECRPRVLTIDPTEFKFKLALINRKYDEVLHMVRNAKLVGQSIIAYLQKKGYPEVALHFVKDEKTRFSLALECGNIEIALEAAKALDDKNCWEKLGEVALLQGNHQIVEMCYQRTKNFDKLSFLYLITGNLEKLRKMMKIAEIRKDMSGHYQNALYLGDVSERVRILKNCGQKSLAYLTAATHGLDEEAESLKETFDPEKETIPDIDPNAKLLQPPAPIMPLDTNWPLLTVSKGFFEGTIASKGKGGALAADIDIDTVGTEGWGEDAELQLDEDGFVEATEGLGDDALGKGQEEGGGWDVEEDLELPPELDISPGAAGGAEDGFFVPPTKGTSPTQIWCNNSQLPVDHILAGSFETAMRLLHDQVGVIQFGPYKQLFLQTYARGRTTYQALPCLPSMYGYPNRNWKDAGLKNGVPAVGLKLNDLIQRLQLCYQLTTVGKFEEAVEKFRSILLSVPLLVVDNKQEIAEAQQLITICREYIVGLSMEIERKKLPKETLEQQKRICEMAAYFTHSNLQPVHMILVLRTALNLFFKLKNFKTAATFARRLLELGPKPEVAQQTRKILSACEKNPADAYQLNYDMHNPFDICAASYRPIYRGKPVEKCPLSGACYSPEFKGQICRVTTVTEIGKDVIGLRISPLQFR
					

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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	72.1	Confident	85.7	Confident	53 Å²	53	66 Å²	66	26%	0.261	33%	0.331	S	S	.	.				0	126.8	0	-169.2	-174.7	-173.1	0	0	110.3	I273 F287 I315 F317	M1-I273 HydrophobicContact CE-CD1 4.07Å; M1-F287 HydrophobicContact CB-CD2 4.36Å; M1-F287 HydrophobicContact CE-CD1 4.02Å; M1-F287 HydrophobicContact CE-CE1 3.97Å; M1-F287 HydrophobicContact CE-CZ 4.48Å; M1-F287 HydrophobicContact SD-CB 3.98Å; M1-F287 HydrophobicContact SD-CD1 3.35Å; M1-F287 WeakPolarHBondContact SD-CD1 3.48Å; M1-F287 HydrophobicContact SD-CD2 3.54Å; M1-F287 VanDerWaalsContact SD-CD2 3.54Å; M1-F287 HydrophobicContact SD-CE1 3.57Å; M1-F287 VanDerWaalsContact SD-CE1 3.57Å; M1-F287 HydrophobicContact SD-CE2 3.76Å; M1-F287 HydrophobicContact SD-CG 3.32Å; M1-F287 WeakPolarHBondContact SD-CG 3.38Å; M1-F287 HydrophobicContact SD-CZ 3.76Å; M1-I315 HydrophobicContact CE-CD1 3.66Å; M1-I315 HydrophobicContact CE-CG1 4.16Å; M1-I315 HydrophobicContact CE-CG2 4.25Å; M1-F317 HydrophobicContact CE-CB 3.59Å; M1-F317 HydrophobicContact CE-CD1 3.14Å; M1-F317 HydrophobicContact CE-CD2 3.59Å; M1-F317 HydrophobicContact CE-CE1 3.55Å; M1-F317 HydrophobicContact CE-CE2 3.95Å; M1-F317 HydrophobicContact CE-CG 3.14Å; M1-F317 HydrophobicContact CE-CZ 3.92Å; M1-F317 HydrophobicContact CG-CB 3.8Å; M1-F317 HydrophobicContact CG-CD2 3.52Å; M1-F317 HydrophobicContact CG-CE2 4.23Å; M1-F317 HydrophobicContact CG-CG 3.8Å; M1-F317 HydrophobicContact SD-CB 4.48Å; M1-F317 HydrophobicContact SD-CD2 4.23Å; M1-F317 HydrophobicContact SD-CG 4.23Å
2	L	78.6	Confident	86.6	Confident	89 Å²	89	60.5 Å²	60.5	47%	0.466	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	101.1	176.9	-64.5	172.7	0	0	0	109.2	K4 F317 K318 R321	L2-K4 PolarHBondContact O-N 3.35Å; L2-F317 CarbonylContact O-C 3.56Å; L2-F317 VanDerWaalsContact O-CA 3.31Å; L2-F317 WeakPolarHBondContact O-CA 3.3Å; L2-K318 HydrophobicContact CB-CB 4.39Å; L2-K318 PolarHBondContact N-O 2.97Å; L2-K318 PolarHBondContact O-N 3.14Å; L2-R321 HydrophobicContact CD1-CB 4.25Å
3	T	83	Confident	87.2	Confident	75 Å²	75	57.9 Å²	57.9	46%	0.46	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	128.5	177.7	-50.4	0	0	0	0	110.7	E6 I315	T3-E6 HydrophobicContact CG2-CB 4.38Å; T3-I315 HydrophobicContact CG2-CD1 3.67Å; T3-I315 HydrophobicContact CG2-CG1 3.78Å
4	K	79.8	Confident	87.8	Confident	73 Å²	73	54.1 Å²	54.1	32%	0.317	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-41.3	178.3	-174.2	-179.9	174.4	-168.1	0	111.8	L2 Y38 L305 V316	L2-K4 PolarHBondContact O-N 3.35Å; K4-Y38 HydrophobicContact CD-CD2 4.45Å; K4-Y38 VanDerWaalsContact NZ-CE2 3.32Å; K4-L305 HydrophobicContact CD-CD2 3.76Å; K4-V316 WeakPolarHBondContact CA-O 3.49Å; K4-V316 WeakPolarHBondContact CB-O 3.47Å; K4-V316 PolarHBondContact N-O 3.04Å
5	F	84.2	Confident	88.4	Confident	9 Å²	9	51.4 Å²	51.4	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	142.6	-176.7	165.9	-111.6	0	0	0	108.7	T7 I24 W36 C41 M314 V316	F5-T7 HydrophobicContact CD2-CG2 4.43Å; F5-T7 HydrophobicContact CE1-CG2 3.67Å; F5-T7 HydrophobicContact CE2-CG2 3.46Å; F5-T7 VanDerWaalsContact CE2-CG2 3.46Å; F5-T7 HydrophobicContact CZ-CG2 3.03Å; F5-I24 HydrophobicContact CE1-CG2 4.49Å; F5-W36 HydrophobicContact CE1-CB 4.13Å; F5-W36 HydrophobicContact CE1-CG 4.38Å; F5-W36 HydrophobicContact CE2-CE3 4.13Å; F5-W36 HydrophobicContact CE2-CZ3 4.49Å; F5-W36 HydrophobicContact CZ-CB 4.05Å; F5-W36 AromaticContact CZ-CD2 3.82Å; F5-W36 HydrophobicContact CZ-CD2 3.82Å; F5-W36 AromaticContact CZ-CE3 3.53Å; F5-W36 HydrophobicContact CZ-CE3 3.53Å; F5-W36 HydrophobicContact CZ-CG 4.08Å; F5-W36 HydrophobicContact CZ-CZ3 4.2Å; F5-C41 HydrophobicContact CD2-CB 3.87Å; F5-C41 HydrophobicContact CE2-CB 3.93Å; F5-M314 HydrophobicContact CD1-SD 4.47Å; F5-M314 HydrophobicContact CE1-CE 4.44Å; F5-M314 HydrophobicContact CE1-CG 4.37Å; F5-M314 HydrophobicContact CE1-SD 3.82Å; F5-V316 HydrophobicContact CB-CB 4.17Å; F5-V316 HydrophobicContact CD1-CB 4.27Å; F5-V316 HydrophobicContact CD1-CG2 3.82Å; F5-V316 PolarHBondContact N-O 3.4Å; F5-V316 VanDerWaalsContact N-O 3.16Å; F5-V316 PolarHBondContact O-N 2.9Å
6	E	87.8	Confident	88.9	Confident	82 Å²	82	48.8 Å²	48.8	38%	0.383	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	140.1	178.1	179.7	174.6	178.5	0	0	108.5	T3 R289 M314	T3-E6 HydrophobicContact CG2-CB 4.38Å; E6-R289 IonicContact OE1-CZ 3.46Å; E6-R289 IonicContact OE1-NH1 3.54Å; E6-R289 PolarHBondContact OE1-NH1 3.46Å; E6-R289 IonicContact OE1-NH2 2.92Å; E6-R289 PolarHBondContact OE1-NH2 3.46Å; E6-R289 IonicContact OE2-CZ 3.99Å; E6-R289 IonicContact OE2-NH2 2.75Å; E6-R289 PolarHBondContact OE2-NH2 3.16Å; E6-M314 WeakPolarHBondContact CA-O 3.36Å
7	T	88.9	Confident	89.2	Confident	11 Å²	11	46.5 Å²	46.5	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.9	175.2	61.1	0	0	0	0	110.3	F5 W36 G313 M314	F5-T7 HydrophobicContact CD2-CG2 4.43Å; F5-T7 HydrophobicContact CE1-CG2 3.67Å; F5-T7 HydrophobicContact CE2-CG2 3.46Å; F5-T7 VanDerWaalsContact CE2-CG2 3.46Å; F5-T7 HydrophobicContact CZ-CG2 3.03Å; T7-W36 HydrophobicContact CG2-CD2 4.12Å; T7-W36 HydrophobicContact CG2-CE3 4.07Å; T7-W36 HydrophobicContact CG2-CH2 3.88Å; T7-W36 HydrophobicContact CG2-CZ2 3.94Å; T7-W36 HydrophobicContact CG2-CZ3 3.94Å; T7-G313 WeakPolarHBondContact O-CA 3.21Å; T7-M314 HydrophobicContact CG2-CE 4.37Å; T7-M314 PolarHBondContact N-O 3.48Å; T7-M314 PolarHBondContact O-N 3.49Å; T7-M314 WeakPolarHBondContact OG1-CE 3.35Å
8	K	90	Very high	89.4	Confident	195 Å²	195	44.6 Å²	44.6	85%	0.848	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.3	166.9	-64.5	-173.8	179.6	-176.3	0	108.8	G312	K8-G312 CarbonylContact C-O 3.52Å; K8-G312 VanDerWaalsContact CA-O 3.26Å; K8-G312 WeakPolarHBondContact CA-O 3.44Å
9	S	91.3	Very high	89.3	Confident	27 Å²	27	43.7 Å²	43.7	19%	0.189	22%	0.222	C	C	.	.			trans	-151.8	-178.5	176.6	66.7	0	0	0	0	110.1	G312 G313	S9-G312 PolarHBondContact N-O 3.25Å; S9-G312 CarbonylContact O-C 3.52Å; S9-G312 VanDerWaalsContact O-O 3.11Å; S9-G313 WeakPolarHBondContact OG-CA 3.19Å
10	A	91.7	Very high	89	Confident	41 Å²	41	50.8 Å²	50.8	34%	0.339	25%	0.251	S	S	.	.	S	Bend	trans	-58.4	161.9	161.7	0	0	0	0	0	110.4	V12 L28	A10-V12 PolarHBondContact O-N 3.43Å; A10-L28 HydrophobicContact CB-CB 4.48Å; A10-L28 HydrophobicContact CB-CD1 4.42Å
11	R	94.9	Very high	88.9	Confident	71 Å²	71	53.6 Å²	53.6	27%	0.268	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-47.3	124.2	179.8	177.6	-175.2	-63.3	160.5	0.1	111.8	K13 L28 H29 H310 D311	R11-K13 HydrophobicContact CG-CD 4.27Å; R11-L28 CarbonylContact O-C 3.33Å; R11-L28 WeakPolarHBondContact O-CA 3.29Å; R11-H29 HydrophobicContact CB-CB 3.9Å; R11-H29 HydrophobicContact CG-CB 4.38Å; R11-H29 WeakPolarHBondContact O-CB 3.37Å; R11-H29 PolarHBondContact O-N 2.97Å; R11-H310 WeakPolarHBondContact CA-O 3.27Å; R11-D311 WeakPolarHBondContact CA-O 3.39Å; R11-D311 IonicContact CZ-OD1 3.67Å; R11-D311 PolarHBondContact N-O 3.09Å; R11-D311 IonicContact NE-OD1 2.7Å; R11-D311 PolarHBondContact NE-OD1 3.11Å; R11-D311 IonicContact NH2-OD1 2.88Å; R11-D311 PolarHBondContact NH2-OD1 3.49Å
12	V	96.7	Very high	89.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	126.2	179.6	179.5	0	0	0	0	109.8	A10 L15 S27 L28 H310 G313 M314	A10-V12 PolarHBondContact O-N 3.43Å; V12-L15 HydrophobicContact CG1-CD2 3.64Å; V12-L15 HydrophobicContact CG1-CG 4.02Å; V12-S27 WeakPolarHBondContact CA-O 3.47Å; V12-L28 HydrophobicContact CB-CD2 4.45Å; V12-L28 HydrophobicContact CG2-CD2 3.59Å; V12-H310 PolarHBondContact N-O 3.45Å; V12-H310 VanDerWaalsContact N-O 3.1Å; V12-G313 VanDerWaalsContact CG2-C 3.43Å; V12-G313 WeakPolarHBondContact CG2-O 3.41Å; V12-M314 HydrophobicContact CG2-CB 4.21Å
13	K	95.1	Very high	90.3	Very high	27 Å²	27	49.7 Å²	49.7	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-27.6	-177.3	-69.6	-58.1	-161.2	-179.4	0	113.8	R11 S27 H29 R55 W295 V296	R11-K13 HydrophobicContact CG-CD 4.27Å; K13-S27 PolarHBondContact N-O 2.85Å; K13-H29 HydrophobicContact CG-CB 4.43Å; K13-R55 HydrophobicContact CB-CG 4.45Å; K13-W295 HydrophobicContact CD-CB 4.24Å; K13-W295 HydrophobicContact CD-CG 4.21Å; K13-V296 WeakPolarHBondContact O-CB 3.43Å; K13-V296 WeakPolarHBondContact O-CG1 3.4Å
14	G	95.3	Very high	90.9	Very high	4 Å²	4	46.1 Å²	46.1	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.1	177.7	0	0	0	0	0	111.7	T26 S27 R55 I57	G14-T26 WeakPolarHBondContact O-CA 3.42Å; G14-S27 WeakPolarHBondContact CA-OG 3.49Å; G14-S27 PolarHBondContact N-OG 3.32Å; G14-S27 PolarHBondContact O-N 3.49Å; G14-R55 WeakPolarHBondContact CA-O 3.32Å; G14-I57 VanDerWaalsContact C-CG2 3.42Å
15	L	96.7	Very high	91.7	Very high	14 Å²	14	42.6 Å²	42.6	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.8	-179.8	-70.3	178.9	0	0	0	109.8	V12 I24 L25 T26 V296 A298 A307 G309 M314	V12-L15 HydrophobicContact CG1-CD2 3.64Å; V12-L15 HydrophobicContact CG1-CG 4.02Å; L15-I24 HydrophobicContact CD2-CD1 4.09Å; L15-L25 WeakPolarHBondContact CA-O 3.46Å; L15-T26 HydrophobicContact CD2-CG2 3.23Å; L15-V296 HydrophobicContact CB-CG1 4.4Å; L15-V296 HydrophobicContact CD1-CG1 3.87Å; L15-V296 HydrophobicContact CG-CG1 3.74Å; L15-A298 HydrophobicContact CB-CB 3.82Å; L15-A307 HydrophobicContact CD1-CB 3.76Å; L15-G309 VanDerWaalsContact CD1-N 3.32Å; L15-M314 HydrophobicContact CD2-CB 4.41Å
16	S	95.8	Very high	92.2	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.063	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.2	169.6	-177.1	0	0	0	0	111.6	I24 L25 D58 F59	S16-I24 WeakPolarHBondContact O-CA 3.4Å; S16-L25 PolarHBondContact N-O 3.01Å; S16-L25 PolarHBondContact O-N 3.1Å; S16-D58 PolarHBondContact OG-OD1 3.48Å; S16-F59 PolarHBondContact OG-N 3.36Å
17	F	94.9	Very high	92.6	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.3	176.1	-82.5	-69	0	0	0	110.7	I24 Y38 F59 A298 H300 L305 A307 V316	F17-I24 HydrophobicContact CD1-CB 4.22Å; F17-I24 HydrophobicContact CD1-CD1 4.33Å; F17-I24 HydrophobicContact CD1-CG1 4.3Å; F17-I24 HydrophobicContact CE1-CB 4.28Å; F17-I24 HydrophobicContact CE1-CD1 3.91Å; F17-I24 HydrophobicContact CE1-CG1 4.32Å; F17-I24 HydrophobicContact CZ-CD1 4.04Å; F17-Y38 HydrophobicContact CD1-CD1 4.33Å; F17-Y38 AromaticContact CD1-CE1 3.71Å; F17-Y38 HydrophobicContact CD1-CE1 3.71Å; F17-Y38 AromaticContact CE1-CD1 3.99Å; F17-Y38 HydrophobicContact CE1-CD1 3.99Å; F17-Y38 AromaticContact CE1-CE1 3.66Å; F17-Y38 HydrophobicContact CE1-CE1 3.66Å; F17-F59 VanDerWaalsContact C-CD2 3.49Å; F17-A298 HydrophobicContact CD2-CB 4.22Å; F17-A298 HydrophobicContact CE2-CB 4.35Å; F17-H300 AromaticContact CD1-CD2 3.77Å; F17-H300 HydrophobicContact CD2-CB 3.88Å; F17-H300 HydrophobicContact CE2-CB 4.11Å; F17-H300 HydrophobicContact CG-CB 4.1Å; F17-H300 AromaticContact CG-CD2 3.84Å; F17-L305 HydrophobicContact CZ-CB 4.46Å; F17-A307 HydrophobicContact CE2-CB 3.76Å; F17-A307 HydrophobicContact CZ-CB 3.65Å; F17-V316 HydrophobicContact CE1-CG1 4.38Å; F17-V316 HydrophobicContact CZ-CG1 4.18Å
18	H	93.1	Very high	93	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.056	18%	0.179	C	C	.	.			trans	-69.1	133.6	167	-171.5	-60.4	0	0	0	109	K20 R21 W23 F59 Y80	H18-K20 PolarHBondContact ND1-N 3.09Å; H18-K20 VanDerWaalsContact ND1-N 3.18Å; H18-K20 PolarHBondContact O-N 2.92Å; H18-R21 HydrophobicContact CB-CB 4.39Å; H18-R21 PolarHBondContact ND1-N 3.46Å; H18-W23 HydrophobicContact CB-CB 3.88Å; H18-W23 AromaticContact CD2-CE3 3.95Å; H18-W23 PolarHBondContact N-O 2.96Å; H18-F59 HydrophobicContact CB-CD2 4.02Å; H18-F59 HydrophobicContact CB-CE1 4.41Å; H18-F59 HydrophobicContact CB-CE2 3.73Å; H18-F59 HydrophobicContact CB-CG 4.44Å; H18-F59 HydrophobicContact CB-CZ 3.91Å; H18-F59 AromaticContact CD2-CE1 3.77Å; H18-Y80 AromaticContact NE2-CZ 3.96Å; H18-Y80 PolarHBondContact NE2-OH 2.95Å
19	P	85.9	Confident	93.2	Very high	27 Å²	27	31.9 Å²	31.9	18%	0.175	15%	0.154	C	C	.	.	S	Bend	trans	-66.4	-36	-172	22.8	-35.6	0	0	0	114.6	K61	P19-K61 WeakPolarHBondContact CG-O 3.24Å
20	K	84	Confident	93.3	Very high	186 Å²	186	35.1 Å²	35.1	81%	0.809	17%	0.169	S	C	*	.	S	Bend	trans	-106.7	-46.9	-178.1	-60.8	-176.9	-179.5	-179.6	0	114.4	H18	H18-K20 PolarHBondContact ND1-N 3.09Å; H18-K20 VanDerWaalsContact ND1-N 3.18Å; H18-K20 PolarHBondContact O-N 2.92Å
21	R	86.6	Confident	93.4	Very high	109 Å²	109	33.1 Å²	33.1	41%	0.411	15%	0.152	S	C	.	.	S	Bend	trans	-81.8	152.1	-176.9	-63.6	-178.3	178.3	-138.1	-4.6	110.8	H18 W23	H18-R21 HydrophobicContact CB-CB 4.39Å; H18-R21 PolarHBondContact ND1-N 3.46Å; R21-W23 HydrophobicContact CB-CD2 3.78Å; R21-W23 HydrophobicContact CB-CE3 4.12Å; R21-W23 HydrophobicContact CB-CG 3.96Å; R21-W23 PolarHBondContact O-N 3.37Å
22	P	87.8	Confident	93.4	Very high	27 Å²	27	30 Å²	30	18%	0.175	14%	0.141	C	C	.	.	S	Bend	trans	-78	48.6	-179.7	36.2	-39	0	0	0	112.8	Y38 R39	P22-Y38 VanDerWaalsContact CA-CZ 3.45Å; P22-Y38 WeakPolarHBondContact CA-OH 3.29Å; P22-Y38 HydrophobicContact CB-CE1 4.4Å; P22-Y38 HydrophobicContact CB-CE2 4.01Å; P22-Y38 WeakPolarHBondContact O-CD1 3.33Å; P22-Y38 VanDerWaalsContact O-CE1 3.24Å; P22-Y38 WeakPolarHBondContact O-CE1 3.45Å; P22-Y38 PolarHBondContact O-N 3.02Å; P22-Y38 VanDerWaalsContact O-N 3.16Å; P22-R39 HydrophobicContact CB-CB 4.35Å; P22-R39 HydrophobicContact CB-CG 3.67Å; P22-R39 HydrophobicContact CG-CG 4.38Å
23	W	92.8	Very high	93.4	Very high	33 Å²	33	30 Å²	30	13%	0.125	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.3	-173.5	-58.8	-16.6	0	0	0	111.5	H18 R21 L35 W36 D37 I44 Y80	H18-W23 HydrophobicContact CB-CB 3.88Å; H18-W23 AromaticContact CD2-CE3 3.95Å; H18-W23 PolarHBondContact N-O 2.96Å; R21-W23 HydrophobicContact CB-CD2 3.78Å; R21-W23 HydrophobicContact CB-CE3 4.12Å; R21-W23 HydrophobicContact CB-CG 3.96Å; R21-W23 PolarHBondContact O-N 3.37Å; W23-L35 HydrophobicContact CB-CD1 4.02Å; W23-L35 HydrophobicContact CE3-CD1 4.36Å; W23-L35 HydrophobicContact CE3-CD2 4.33Å; W23-L35 HydrophobicContact CZ3-CD2 4.44Å; W23-W36 CarbonylContact C-O 3.55Å; W23-W36 VanDerWaalsContact CA-O 3.23Å; W23-W36 WeakPolarHBondContact CA-O 3.46Å; W23-D37 PolarHBondContact NE1-OD2 3.44Å; W23-I44 VanDerWaalsContact CD1-CD1 3.48Å; W23-I44 HydrophobicContact CD2-CD1 3.79Å; W23-I44 HydrophobicContact CG-CD1 3.85Å; W23-I44 HydrophobicContact CZ2-CD1 3.87Å; W23-Y80 AromaticContact CZ3-CD2 3.93Å; W23-Y80 HydrophobicContact CZ3-CD2 3.93Å; W23-Y80 AromaticContact CZ3-CE2 3.71Å; W23-Y80 HydrophobicContact CZ3-CE2 3.71Å
24	I	95.4	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.8	172.2	-170.5	170.2	0	0	0	109	F5 L15 S16 F17 T26 W36 Y38 A307 M314 V316	F5-I24 HydrophobicContact CE1-CG2 4.49Å; L15-I24 HydrophobicContact CD2-CD1 4.09Å; S16-I24 WeakPolarHBondContact O-CA 3.4Å; F17-I24 HydrophobicContact CD1-CB 4.22Å; F17-I24 HydrophobicContact CD1-CD1 4.33Å; F17-I24 HydrophobicContact CD1-CG1 4.3Å; F17-I24 HydrophobicContact CE1-CB 4.28Å; F17-I24 HydrophobicContact CE1-CD1 3.91Å; F17-I24 HydrophobicContact CE1-CG1 4.32Å; F17-I24 HydrophobicContact CZ-CD1 4.04Å; I24-T26 HydrophobicContact CG1-CG2 4.29Å; I24-W36 HydrophobicContact CG2-CB 3.88Å; I24-W36 PolarHBondContact N-O 3.3Å; I24-W36 PolarHBondContact O-N 3.25Å; I24-Y38 HydrophobicContact CB-CD1 4.04Å; I24-Y38 HydrophobicContact CG2-CD1 4.1Å; I24-A307 HydrophobicContact CD1-CB 3.31Å; I24-M314 HydrophobicContact CD1-SD 4.31Å; I24-M314 HydrophobicContact CG2-SD 3.96Å; I24-V316 HydrophobicContact CD1-CG2 3.87Å
25	L	96	Very high	93.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	137.3	169.9	-86.7	172	0	0	0	109.3	L15 S16 I33 Q34 L35 I57 F59 F66	L15-L25 WeakPolarHBondContact CA-O 3.46Å; S16-L25 PolarHBondContact N-O 3.01Å; S16-L25 PolarHBondContact O-N 3.1Å; L25-I33 HydrophobicContact CD2-CG2 3.89Å; L25-Q34 WeakPolarHBondContact CA-O 3.37Å; L25-L35 HydrophobicContact CD2-CB 3.91Å; L25-L35 HydrophobicContact CD2-CD1 3.79Å; L25-L35 HydrophobicContact CD2-CG 4.42Å; L25-L35 HydrophobicContact CG-CD1 3.91Å; L25-I57 HydrophobicContact CB-CD1 3.74Å; L25-I57 HydrophobicContact CB-CG1 4.23Å; L25-I57 HydrophobicContact CD1-CD1 4.2Å; L25-I57 HydrophobicContact CD1-CG1 4.3Å; L25-I57 HydrophobicContact CD2-CD1 4.33Å; L25-I57 HydrophobicContact CG-CD1 4.31Å; L25-F59 HydrophobicContact CB-CD2 4.34Å; L25-F59 HydrophobicContact CB-CE2 3.78Å; L25-F59 HydrophobicContact CB-CZ 4.22Å; L25-F59 HydrophobicContact CD1-CD1 3.77Å; L25-F59 HydrophobicContact CD1-CD2 3.73Å; L25-F59 HydrophobicContact CD1-CE1 3.45Å; L25-F59 VanDerWaalsContact CD1-CE1 3.45Å; L25-F59 HydrophobicContact CD1-CE2 3.43Å; L25-F59 VanDerWaalsContact CD1-CE2 3.43Å; L25-F59 HydrophobicContact CD1-CG 3.92Å; L25-F59 HydrophobicContact CD1-CZ 3.31Å; L25-F59 HydrophobicContact CD2-CZ 4.36Å; L25-F59 HydrophobicContact CG-CD2 4.13Å; L25-F59 HydrophobicContact CG-CE1 3.97Å; L25-F59 HydrophobicContact CG-CE2 3.38Å; L25-F59 HydrophobicContact CG-CZ 3.31Å; L25-F66 HydrophobicContact CD1-CB 3.44Å; L25-F66 VanDerWaalsContact CD1-CB 3.44Å; L25-F66 HydrophobicContact CD1-CD1 3.97Å; L25-F66 HydrophobicContact CD1-CD2 3.79Å; L25-F66 HydrophobicContact CD1-CG 3.48Å; L25-F66 VanDerWaalsContact CD1-CG 3.48Å
26	T	96.5	Very high	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.4	179.2	60	0	0	0	0	110.9	G14 L15 I24 I33 Q34 M314	G14-T26 WeakPolarHBondContact O-CA 3.42Å; L15-T26 HydrophobicContact CD2-CG2 3.23Å; I24-T26 HydrophobicContact CG1-CG2 4.29Å; T26-I33 WeakPolarHBondContact O-CA 3.42Å; T26-Q34 PolarHBondContact N-O 3.47Å; T26-Q34 PolarHBondContact O-N 3.09Å; T26-Q34 PolarHBondContact OG1-O 3.44Å; T26-M314 HydrophobicContact CG2-CE 3.06Å; T26-M314 HydrophobicContact CG2-CG 4.49Å; T26-M314 HydrophobicContact CG2-SD 3.23Å; T26-M314 WeakPolarHBondContact CG2-SD 3.19Å; T26-M314 WeakPolarHBondContact OG1-CE 3.49Å
27	S	96.1	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.1	175.5	69.2	0	0	0	0	110.5	V12 K13 G14 V54	V12-S27 WeakPolarHBondContact CA-O 3.47Å; K13-S27 PolarHBondContact N-O 2.85Å; G14-S27 WeakPolarHBondContact CA-OG 3.49Å; G14-S27 PolarHBondContact N-OG 3.32Å; G14-S27 PolarHBondContact O-N 3.49Å; S27-V54 VanDerWaalsContact CB-CG1 3.49Å; S27-V54 VanDerWaalsContact CB-O 3.25Å; S27-V54 WeakPolarHBondContact CB-O 3.39Å; S27-V54 PolarHBondContact OG-O 3.33Å
28	L	96.3	Very high	92.6	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	156	-173.7	-54.8	-170.7	0	0	0	111.1	A10 R11 V12 N30 G31 V32 Q34 V54	A10-L28 HydrophobicContact CB-CB 4.48Å; A10-L28 HydrophobicContact CB-CD1 4.42Å; R11-L28 CarbonylContact O-C 3.33Å; R11-L28 WeakPolarHBondContact O-CA 3.29Å; V12-L28 HydrophobicContact CB-CD2 4.45Å; V12-L28 HydrophobicContact CG2-CD2 3.59Å; L28-N30 WeakPolarHBondContact CB-OD1 3.46Å; L28-N30 PolarHBondContact O-N 2.83Å; L28-G31 PolarHBondContact O-N 2.82Å; L28-V32 HydrophobicContact CB-CB 4.43Å; L28-V32 VanDerWaalsContact CB-O 3.22Å; L28-V32 WeakPolarHBondContact CB-O 3.39Å; L28-V32 HydrophobicContact CD1-CB 4.12Å; L28-V32 HydrophobicContact CD1-CG1 4.2Å; L28-V32 HydrophobicContact CG-CB 4.47Å; L28-V32 WeakPolarHBondContact CG-O 3.29Å; L28-V32 PolarHBondContact N-O 3.02Å; L28-Q34 HydrophobicContact CD1-CG 4.18Å; L28-V54 PolarHBondContact O-N 2.92Å
29	H	94.6	Very high	91.8	Very high	69 Å²	69	34 Å²	34	32%	0.319	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	177.7	-172.6	58.2	0	0	0	113.6	R11 K13 G31 P53	R11-H29 HydrophobicContact CB-CB 3.9Å; R11-H29 HydrophobicContact CG-CB 4.38Å; R11-H29 WeakPolarHBondContact O-CB 3.37Å; R11-H29 PolarHBondContact O-N 2.97Å; K13-H29 HydrophobicContact CG-CB 4.43Å; H29-G31 VanDerWaalsContact C-N 3.35Å; H29-P53 VanDerWaalsContact CE1-CG 3.4Å; H29-P53 WeakPolarHBondContact CE1-CG 3.42Å; H29-P53 WeakPolarHBondContact ND1-CB 3.49Å; H29-P53 VanDerWaalsContact ND1-CG 3.33Å; H29-P53 WeakPolarHBondContact ND1-CG 3.33Å; H29-P53 VanDerWaalsContact O-CA 3.28Å; H29-P53 WeakPolarHBondContact O-CA 3.19Å; H29-P53 WeakPolarHBondContact O-CB 3.48Å; H29-P53 WeakPolarHBondContact O-CG 3.12Å
30	N	93.7	Very high	91.1	Very high	94 Å²	94	37.9 Å²	37.9	50%	0.503	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	7.7	176.5	67.5	-13.3	0	0	0	113.8	L28 V32	L28-N30 WeakPolarHBondContact CB-OD1 3.46Å; L28-N30 PolarHBondContact O-N 2.83Å; N30-V32 WeakPolarHBondContact OD1-CB 3.26Å; N30-V32 PolarHBondContact OD1-N 3.36Å
31	G	92.6	Very high	91	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	93.1	-11.6	179.8	0	0	0	0	0	115.7	L28 H29 G52	L28-G31 PolarHBondContact O-N 2.82Å; H29-G31 VanDerWaalsContact C-N 3.35Å; G31-G52 WeakPolarHBondContact CA-O 3.27Å; G31-G52 PolarHBondContact N-O 3.18Å
32	V	95.6	Very high	90.9	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.03	14%	0.14	C	C	.	.			trans	-77.3	139.4	178.5	175.2	0	0	0	0	111.2	L28 N30 Q34 K46	L28-V32 HydrophobicContact CB-CB 4.43Å; L28-V32 VanDerWaalsContact CB-O 3.22Å; L28-V32 WeakPolarHBondContact CB-O 3.39Å; L28-V32 HydrophobicContact CD1-CB 4.12Å; L28-V32 HydrophobicContact CD1-CG1 4.2Å; L28-V32 HydrophobicContact CG-CB 4.47Å; L28-V32 WeakPolarHBondContact CG-O 3.29Å; L28-V32 PolarHBondContact N-O 3.02Å; N30-V32 WeakPolarHBondContact OD1-CB 3.26Å; N30-V32 PolarHBondContact OD1-N 3.36Å; V32-Q34 HydrophobicContact CG1-CG 3.91Å; V32-K46 HydrophobicContact CG1-CD 3.93Å; V32-K46 HydrophobicContact CG1-CG 3.5Å; V32-K46 VanDerWaalsContact CG1-CG 3.5Å; V32-K46 VanDerWaalsContact CG2-CE 3.43Å
33	I	96.4	Very high	91.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.8	166.7	-57.8	166.2	0	0	0	108.6	L25 T26 K46 F47 V54 I57 F66 S68 W78	L25-I33 HydrophobicContact CD2-CG2 3.89Å; T26-I33 WeakPolarHBondContact O-CA 3.42Å; I33-K46 CarbonylContact O-C 3.41Å; I33-K46 WeakPolarHBondContact O-CA 3.28Å; I33-F47 HydrophobicContact CB-CB 4.21Å; I33-F47 HydrophobicContact CB-CD2 4.4Å; I33-F47 HydrophobicContact CG2-CD2 4.25Å; I33-F47 PolarHBondContact N-O 3.01Å; I33-F47 PolarHBondContact O-N 3.15Å; I33-V54 HydrophobicContact CD1-CG1 4.14Å; I33-V54 HydrophobicContact CG1-CB 4.49Å; I33-V54 HydrophobicContact CG1-CG1 4.16Å; I33-V54 HydrophobicContact CG1-CG2 4.47Å; I33-I57 HydrophobicContact CB-CD1 4.48Å; I33-I57 HydrophobicContact CD1-CD1 4.38Å; I33-I57 HydrophobicContact CG1-CD1 4.34Å; I33-I57 HydrophobicContact CG2-CD1 3.4Å; I33-I57 VanDerWaalsContact CG2-CD1 3.4Å; I33-F66 HydrophobicContact CD1-CE2 4.07Å; I33-F66 HydrophobicContact CG2-CE2 4.13Å; I33-F66 HydrophobicContact CG2-CZ 4.48Å; I33-S68 VanDerWaalsContact CD1-CB 3.42Å; I33-S68 WeakPolarHBondContact CD1-OG 3.4Å; I33-W78 HydrophobicContact CD1-CZ2 4.46Å
34	Q	95.7	Very high	91.1	Very high	27 Å²	27	31.5 Å²	31.5	13%	0.126	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.9	178.4	-59.7	-178.8	-23.4	0	0	110.6	L25 T26 L28 V32 W36 L43	L25-Q34 WeakPolarHBondContact CA-O 3.37Å; T26-Q34 PolarHBondContact N-O 3.47Å; T26-Q34 PolarHBondContact O-N 3.09Å; T26-Q34 PolarHBondContact OG1-O 3.44Å; L28-Q34 HydrophobicContact CD1-CG 4.18Å; V32-Q34 HydrophobicContact CG1-CG 3.91Å; Q34-W36 VanDerWaalsContact CB-NE1 3.33Å; Q34-L43 HydrophobicContact CB-CD1 3.81Å; Q34-L43 HydrophobicContact CG-CD1 4.23Å
35	L	95.9	Very high	91	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.2	173.4	177.8	64.4	0	0	0	109.3	W23 L25 I44 D45 F47 F59	W23-L35 HydrophobicContact CB-CD1 4.02Å; W23-L35 HydrophobicContact CE3-CD1 4.36Å; W23-L35 HydrophobicContact CE3-CD2 4.33Å; W23-L35 HydrophobicContact CZ3-CD2 4.44Å; L25-L35 HydrophobicContact CD2-CB 3.91Å; L25-L35 HydrophobicContact CD2-CD1 3.79Å; L25-L35 HydrophobicContact CD2-CG 4.42Å; L25-L35 HydrophobicContact CG-CD1 3.91Å; L35-I44 HydrophobicContact CB-CB 4.46Å; L35-I44 HydrophobicContact CD2-CB 4.13Å; L35-I44 HydrophobicContact CD2-CD1 4.34Å; L35-I44 HydrophobicContact CD2-CG2 4.07Å; L35-I44 HydrophobicContact CG-CB 4.06Å; L35-I44 HydrophobicContact CG-CD1 4.14Å; L35-I44 HydrophobicContact CG-CG1 4.49Å; L35-I44 WeakPolarHBondContact O-CB 3.38Å; L35-I44 PolarHBondContact O-N 3.05Å; L35-D45 HydrophobicContact CB-CB 4.46Å; L35-D45 PolarHBondContact N-O 3.43Å; L35-D45 PolarHBondContact O-N 3.28Å; L35-F47 HydrophobicContact CB-CE2 4.27Å; L35-F59 HydrophobicContact CD1-CZ 3.69Å
36	W	94.1	Very high	90.9	Very high	35 Å²	35	38.2 Å²	38.2	13%	0.133	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.5	-175.5	-71.3	89.8	0	0	0	112.3	F5 T7 W23 I24 Q34 T42 L43 M314	F5-W36 HydrophobicContact CE1-CB 4.13Å; F5-W36 HydrophobicContact CE1-CG 4.38Å; F5-W36 HydrophobicContact CE2-CE3 4.13Å; F5-W36 HydrophobicContact CE2-CZ3 4.49Å; F5-W36 HydrophobicContact CZ-CB 4.05Å; F5-W36 AromaticContact CZ-CD2 3.82Å; F5-W36 HydrophobicContact CZ-CD2 3.82Å; F5-W36 AromaticContact CZ-CE3 3.53Å; F5-W36 HydrophobicContact CZ-CE3 3.53Å; F5-W36 HydrophobicContact CZ-CG 4.08Å; F5-W36 HydrophobicContact CZ-CZ3 4.2Å; T7-W36 HydrophobicContact CG2-CD2 4.12Å; T7-W36 HydrophobicContact CG2-CE3 4.07Å; T7-W36 HydrophobicContact CG2-CH2 3.88Å; T7-W36 HydrophobicContact CG2-CZ2 3.94Å; T7-W36 HydrophobicContact CG2-CZ3 3.94Å; W23-W36 CarbonylContact C-O 3.55Å; W23-W36 VanDerWaalsContact CA-O 3.23Å; W23-W36 WeakPolarHBondContact CA-O 3.46Å; I24-W36 HydrophobicContact CG2-CB 3.88Å; I24-W36 PolarHBondContact N-O 3.3Å; I24-W36 PolarHBondContact O-N 3.25Å; Q34-W36 VanDerWaalsContact CB-NE1 3.33Å; W36-T42 VanDerWaalsContact CE3-C 3.44Å; W36-L43 HydrophobicContact CD2-CB 4.23Å; W36-L43 HydrophobicContact CD2-CD1 3.91Å; W36-L43 HydrophobicContact CE3-CB 3.93Å; W36-L43 HydrophobicContact CE3-CD1 4.48Å; W36-L43 VanDerWaalsContact CE3-N 3.29Å; W36-L43 HydrophobicContact CG-CD1 4.3Å; W36-L43 HydrophobicContact CH2-CB 3.83Å; W36-L43 HydrophobicContact CH2-CD1 4.42Å; W36-L43 HydrophobicContact CZ2-CB 4.11Å; W36-L43 HydrophobicContact CZ2-CD1 3.83Å; W36-L43 HydrophobicContact CZ2-CG 4.44Å; W36-L43 HydrophobicContact CZ3-CB 3.73Å; W36-M314 VanDerWaalsContact CD1-CE 3.44Å; W36-M314 HydrophobicContact CG-CE 4.06Å
37	D	89.6	Confident	90.9	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.08	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	107.6	160.8	-167.4	-51.5	0	0	0	109.4	W23 R39 M40 C41 T42 I44	W23-D37 PolarHBondContact NE1-OD2 3.44Å; D37-R39 VanDerWaalsContact C-N 3.25Å; D37-R39 PolarHBondContact O-N 3.47Å; D37-R39 WeakPolarHBondContact OD1-CA 3.23Å; D37-R39 WeakPolarHBondContact OD1-CB 3.3Å; D37-R39 PolarHBondContact OD1-N 2.9Å; D37-M40 HydrophobicContact CB-CB 4.3Å; D37-M40 PolarHBondContact OD1-N 3.2Å; D37-C41 VanDerWaalsContact O-CA 3.29Å; D37-C41 WeakPolarHBondContact O-CA 3.34Å; D37-C41 PolarHBondContact O-N 3.39Å; D37-T42 PolarHBondContact N-O 2.91Å; D37-T42 PolarHBondContact O-N 3.35Å; D37-I44 HydrophobicContact CB-CD1 4.01Å; D37-I44 HydrophobicContact CB-CG1 4.21Å
38	Y	86	Confident	90.7	Very high	5 Å²	5	43 Å²	43	2%	0.02	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.7	-177.5	62.3	-107.8	0	0	0	113.7	K4 F17 P22 I24 L305	K4-Y38 HydrophobicContact CD-CD2 4.45Å; K4-Y38 VanDerWaalsContact NZ-CE2 3.32Å; F17-Y38 HydrophobicContact CD1-CD1 4.33Å; F17-Y38 AromaticContact CD1-CE1 3.71Å; F17-Y38 HydrophobicContact CD1-CE1 3.71Å; F17-Y38 AromaticContact CE1-CD1 3.99Å; F17-Y38 HydrophobicContact CE1-CD1 3.99Å; F17-Y38 AromaticContact CE1-CE1 3.66Å; F17-Y38 HydrophobicContact CE1-CE1 3.66Å; P22-Y38 VanDerWaalsContact CA-CZ 3.45Å; P22-Y38 WeakPolarHBondContact CA-OH 3.29Å; P22-Y38 HydrophobicContact CB-CE1 4.4Å; P22-Y38 HydrophobicContact CB-CE2 4.01Å; P22-Y38 WeakPolarHBondContact O-CD1 3.33Å; P22-Y38 VanDerWaalsContact O-CE1 3.24Å; P22-Y38 WeakPolarHBondContact O-CE1 3.45Å; P22-Y38 PolarHBondContact O-N 3.02Å; P22-Y38 VanDerWaalsContact O-N 3.16Å; I24-Y38 HydrophobicContact CB-CD1 4.04Å; I24-Y38 HydrophobicContact CG2-CD1 4.1Å; Y38-L305 HydrophobicContact CE2-CD1 3.85Å
39	R	77.3	Confident	90.5	Very high	78 Å²	78	47.3 Å²	47.3	29%	0.294	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-42.2	171.2	-73.2	170.8	80.6	163.1	10.9	111.3	P22 D37 S555 N556	P22-R39 HydrophobicContact CB-CB 4.35Å; P22-R39 HydrophobicContact CB-CG 3.67Å; P22-R39 HydrophobicContact CG-CG 4.38Å; D37-R39 VanDerWaalsContact C-N 3.25Å; D37-R39 PolarHBondContact O-N 3.47Å; D37-R39 WeakPolarHBondContact OD1-CA 3.23Å; D37-R39 WeakPolarHBondContact OD1-CB 3.3Å; D37-R39 PolarHBondContact OD1-N 2.9Å; R39-S555 PolarHBondContact NH2-O 3.08Å; R39-N556 PolarHBondContact NE-OD1 2.95Å; R39-N556 PolarHBondContact NH2-OD1 2.99Å
40	M	71.3	Confident	90.4	Very high	107 Å²	107	44.5 Å²	44.5	53%	0.527	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-12.7	178.9	-64.5	-176.9	62.8	0	0	112.7	D37 T42	D37-M40 HydrophobicContact CB-CB 4.3Å; D37-M40 PolarHBondContact OD1-N 3.2Å; M40-T42 VanDerWaalsContact C-N 3.27Å; M40-T42 HydrophobicContact CB-CG2 4.14Å; M40-T42 PolarHBondContact O-N 3.36Å
41	C	80.6	Confident	90.3	Very high	32 Å²	32	46.6 Å²	46.6	22%	0.216	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	36	-175.9	-53.5	0	0	0	0	112.5	F5 D37 L515	F5-C41 HydrophobicContact CD2-CB 3.87Å; F5-C41 HydrophobicContact CE2-CB 3.93Å; D37-C41 VanDerWaalsContact O-CA 3.29Å; D37-C41 WeakPolarHBondContact O-CA 3.34Å; D37-C41 PolarHBondContact O-N 3.39Å; C41-L515 HydrophobicContact CB-CD2 4.09Å
42	T	85.4	Confident	90.2	Very high	61 Å²	61	47.7 Å²	47.7	37%	0.374	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.9	-175.7	52.8	0	0	0	0	110.9	W36 D37 M40 I44	W36-T42 VanDerWaalsContact CE3-C 3.44Å; D37-T42 PolarHBondContact N-O 2.91Å; D37-T42 PolarHBondContact O-N 3.35Å; M40-T42 VanDerWaalsContact C-N 3.27Å; M40-T42 HydrophobicContact CB-CG2 4.14Å; M40-T42 PolarHBondContact O-N 3.36Å; T42-I44 PolarHBondContact O-N 3.05Å
43	L	91.5	Very high	90.2	Very high	78 Å²	78	48.5 Å²	48.5	41%	0.408	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	125.1	167.3	-178.9	68.7	0	0	0	107.9	Q34 W36	Q34-L43 HydrophobicContact CB-CD1 3.81Å; Q34-L43 HydrophobicContact CG-CD1 4.23Å; W36-L43 HydrophobicContact CD2-CB 4.23Å; W36-L43 HydrophobicContact CD2-CD1 3.91Å; W36-L43 HydrophobicContact CE3-CB 3.93Å; W36-L43 HydrophobicContact CE3-CD1 4.48Å; W36-L43 VanDerWaalsContact CE3-N 3.29Å; W36-L43 HydrophobicContact CG-CD1 4.3Å; W36-L43 HydrophobicContact CH2-CB 3.83Å; W36-L43 HydrophobicContact CH2-CD1 4.42Å; W36-L43 HydrophobicContact CZ2-CB 4.11Å; W36-L43 HydrophobicContact CZ2-CD1 3.83Å; W36-L43 HydrophobicContact CZ2-CG 4.44Å; W36-L43 HydrophobicContact CZ3-CB 3.73Å
44	I	92.1	Very high	90.2	Very high	50 Å²	50	48.5 Å²	48.5	26%	0.256	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-54.3	178.8	-55.1	-178.3	0	0	0	109.4	W23 L35 D37 T42	W23-I44 VanDerWaalsContact CD1-CD1 3.48Å; W23-I44 HydrophobicContact CD2-CD1 3.79Å; W23-I44 HydrophobicContact CG-CD1 3.85Å; W23-I44 HydrophobicContact CZ2-CD1 3.87Å; L35-I44 HydrophobicContact CB-CB 4.46Å; L35-I44 HydrophobicContact CD2-CB 4.13Å; L35-I44 HydrophobicContact CD2-CD1 4.34Å; L35-I44 HydrophobicContact CD2-CG2 4.07Å; L35-I44 HydrophobicContact CG-CB 4.06Å; L35-I44 HydrophobicContact CG-CD1 4.14Å; L35-I44 HydrophobicContact CG-CG1 4.49Å; L35-I44 WeakPolarHBondContact O-CB 3.38Å; L35-I44 PolarHBondContact O-N 3.05Å; D37-I44 HydrophobicContact CB-CD1 4.01Å; D37-I44 HydrophobicContact CB-CG1 4.21Å; T42-I44 PolarHBondContact O-N 3.05Å
45	D	93.8	Very high	90.2	Very high	28 Å²	28	49.7 Å²	49.7	15%	0.15	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.8	-174.7	-80.2	-49.5	0	0	0	111.4	L35 F47 R83	L35-D45 HydrophobicContact CB-CB 4.46Å; L35-D45 PolarHBondContact N-O 3.43Å; L35-D45 PolarHBondContact O-N 3.28Å; D45-F47 HydrophobicContact CB-CE2 4.11Å; D45-F47 HydrophobicContact CB-CZ 4.1Å; D45-R83 VanDerWaalsContact CG-NE 3.31Å; D45-R83 IonicContact OD1-CZ 2.77Å; D45-R83 IonicContact OD1-NE 3.05Å; D45-R83 PolarHBondContact OD1-NE 3.21Å; D45-R83 IonicContact OD1-NH1 2.67Å; D45-R83 IonicContact OD1-NH2 3.29Å; D45-R83 PolarHBondContact OD1-NH2 3.31Å; D45-R83 IonicContact OD2-CZ 2.67Å; D45-R83 IonicContact OD2-NE 2.74Å; D45-R83 PolarHBondContact OD2-NE 3.06Å; D45-R83 IonicContact OD2-NH2 3.07Å; D45-R83 PolarHBondContact OD2-NH2 3.17Å
46	K	94.3	Very high	90.1	Very high	114 Å²	114	49.7 Å²	49.7	50%	0.496	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.4	177.4	-174.6	-166.2	171.4	-151.9	0	109	V32 I33 D48	V32-K46 HydrophobicContact CG1-CD 3.93Å; V32-K46 HydrophobicContact CG1-CG 3.5Å; V32-K46 VanDerWaalsContact CG1-CG 3.5Å; V32-K46 VanDerWaalsContact CG2-CE 3.43Å; I33-K46 CarbonylContact O-C 3.41Å; I33-K46 WeakPolarHBondContact O-CA 3.28Å; K46-D48 WeakPolarHBondContact CE-OD2 3.41Å; K46-D48 IonicContact NZ-OD2 3.29Å; K46-D48 PolarHBondContact NZ-OD2 2.88Å
47	F	95.1	Very high	90.2	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.7	177.1	-49.3	-94.2	0	0	0	109.5	I33 L35 D45 F66 W78	I33-F47 HydrophobicContact CB-CB 4.21Å; I33-F47 HydrophobicContact CB-CD2 4.4Å; I33-F47 HydrophobicContact CG2-CD2 4.25Å; I33-F47 PolarHBondContact N-O 3.01Å; I33-F47 PolarHBondContact O-N 3.15Å; L35-F47 HydrophobicContact CB-CE2 4.27Å; D45-F47 HydrophobicContact CB-CE2 4.11Å; D45-F47 HydrophobicContact CB-CZ 4.1Å; F47-F66 HydrophobicContact CD1-CE1 4.45Å; F47-F66 HydrophobicContact CD1-CZ 4.07Å; F47-F66 HydrophobicContact CD2-CE1 4.22Å; F47-F66 AromaticContact CD2-CZ 3.68Å; F47-F66 HydrophobicContact CD2-CZ 3.68Å; F47-F66 HydrophobicContact CE1-CE1 4.02Å; F47-F66 HydrophobicContact CE1-CZ 4.1Å; F47-F66 AromaticContact CE2-CE1 3.79Å; F47-F66 HydrophobicContact CE2-CE1 3.79Å; F47-F66 AromaticContact CE2-CZ 3.74Å; F47-F66 HydrophobicContact CE2-CZ 3.74Å; F47-F66 AromaticContact CG-CZ 3.87Å; F47-F66 HydrophobicContact CG-CZ 3.87Å; F47-F66 AromaticContact CZ-CE1 3.69Å; F47-F66 HydrophobicContact CZ-CE1 3.69Å; F47-F66 AromaticContact CZ-CZ 3.96Å; F47-F66 HydrophobicContact CZ-CZ 3.96Å; F47-W78 HydrophobicContact CB-CE3 4.27Å; F47-W78 HydrophobicContact CB-CH2 4.04Å; F47-W78 HydrophobicContact CB-CZ3 3.92Å; F47-W78 HydrophobicContact CD1-CD2 4.46Å; F47-W78 AromaticContact CD1-CE3 3.71Å; F47-W78 HydrophobicContact CD1-CE3 3.71Å; F47-W78 AromaticContact CD1-CZ3 3.96Å; F47-W78 HydrophobicContact CD1-CZ3 3.96Å; F47-W78 HydrophobicContact CE1-CE3 4.48Å; F47-W78 HydrophobicContact CG-CE3 4.29Å; F47-W78 HydrophobicContact CG-CZ3 4.37Å
48	D	93	Very high	90.6	Very high	92 Å²	92	49 Å²	49	49%	0.492	25%	0.251	S	S	.	.			trans	-143.2	66	-166.5	-157.3	-2.4	0	0	0	110.1	K46	K46-D48 WeakPolarHBondContact CE-OD2 3.41Å; K46-D48 IonicContact NZ-OD2 3.29Å; K46-D48 PolarHBondContact NZ-OD2 2.88Å
49	E	91.4	Very high	91	Very high	93 Å²	93	49 Å²	49	44%	0.435	25%	0.251	S	S	.	.			trans	-125.8	-3.8	176.2	-56.3	-179.8	-169.2	0	0	114.3	K76 W78 C85	E49-K76 HydrophobicContact CB-CD 4.41Å; E49-K76 WeakPolarHBondContact O-CE 3.5Å; E49-K76 IonicContact OE2-NZ 3.09Å; E49-K76 PolarHBondContact OE2-NZ 3.22Å; E49-W78 HydrophobicContact CB-CH2 3.65Å; E49-W78 HydrophobicContact CB-CZ2 4.41Å; E49-W78 HydrophobicContact CG-CH2 3.57Å; E49-W78 HydrophobicContact CG-CZ3 3.96Å; E49-C85 VanDerWaalsContact OE1-CB 3.31Å; E49-C85 WeakPolarHBondContact OE1-CB 3.37Å; E49-C85 WeakPolarHBondContact OE2-CB 3.47Å
50	H	93.4	Very high	91.8	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.051	24%	0.242	C	C	.	.			trans	-83.9	140.2	175.7	-86.2	-73.4	0	0	0	110	G52 V54 S68 D72 K74	H50-G52 PolarHBondContact O-N 3Å; H50-V54 HydrophobicContact CB-CG2 3.48Å; H50-V54 VanDerWaalsContact CB-CG2 3.48Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.23Å; H50-V54 VanDerWaalsContact CG-CG2 3.46Å; H50-S68 PolarHBondContact CD2-OG 3.03Å; H50-S68 PolarHBondContact NE2-OG 3.4Å; H50-D72 IonicContact CE1-OD1 3.34Å; H50-D72 IonicContact CE1-OD2 2.86Å; H50-D72 IonicContact CG-OD2 3.23Å; H50-D72 VanDerWaalsContact ND1-CG 3.32Å; H50-D72 IonicContact ND1-OD1 2.98Å; H50-D72 PolarHBondContact ND1-OD1 3.29Å; H50-D72 IonicContact ND1-OD2 3.46Å; H50-D72 PolarHBondContact ND1-OD2 2.96Å; H50-K74 PolarHBondContact CE1-O 3.42Å
51	D	90.8	Very high	92.7	Very high	138 Å²	138	46.7 Å²	46.7	74%	0.738	24%	0.241	S	C	*	.	S	Bend	trans	-98	81.4	178.3	-167.7	9.4	0	0	0	110.4	D72	D51-D72 HydrophobicContact CB-CB 4.23Å; D51-D72 PolarHBondContact N-OD2 3.28Å; D51-D72 WeakPolarHBondContact O-CB 3.49Å
52	G	91.2	Very high	93	Very high	23 Å²	23	53 Å²	53	24%	0.237	27%	0.267	C	S	.	.	S	Bend	trans	115.6	-177.9	-177.1	0	0	0	0	0	113.9	G31 H50 V54	G31-G52 WeakPolarHBondContact CA-O 3.27Å; G31-G52 PolarHBondContact N-O 3.18Å; H50-G52 PolarHBondContact O-N 3Å; G52-V54 PolarHBondContact O-N 3.38Å
53	P	95.8	Very high	93.3	Very high	22 Å²	22	53.8 Å²	53.8	14%	0.143	27%	0.267	C	S	.	.			trans	-55.4	135.6	-171.1	-23.5	28.4	0	0	0	114.7	H29 G70 D71	H29-P53 VanDerWaalsContact CE1-CG 3.4Å; H29-P53 WeakPolarHBondContact CE1-CG 3.42Å; H29-P53 WeakPolarHBondContact ND1-CB 3.49Å; H29-P53 VanDerWaalsContact ND1-CG 3.33Å; H29-P53 WeakPolarHBondContact ND1-CG 3.33Å; H29-P53 VanDerWaalsContact O-CA 3.28Å; H29-P53 WeakPolarHBondContact O-CA 3.19Å; H29-P53 WeakPolarHBondContact O-CB 3.48Å; H29-P53 WeakPolarHBondContact O-CG 3.12Å; P53-G70 CarbonylContact O-C 3.56Å; P53-G70 WeakPolarHBondContact O-CA 3.47Å; P53-D71 HydrophobicContact CB-CB 4.44Å; P53-D71 WeakPolarHBondContact CB-OD2 3.49Å; P53-D71 HydrophobicContact CG-CB 4.42Å; P53-D71 VanDerWaalsContact CG-OD2 3.29Å; P53-D71 WeakPolarHBondContact CG-OD2 3.48Å; P53-D71 PolarHBondContact O-N 3.25Å
54	V	96.8	Very high	93.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.4	173.5	178.7	0	0	0	0	109.9	S27 L28 I33 H50 G52	S27-V54 VanDerWaalsContact CB-CG1 3.49Å; S27-V54 VanDerWaalsContact CB-O 3.25Å; S27-V54 WeakPolarHBondContact CB-O 3.39Å; S27-V54 PolarHBondContact OG-O 3.33Å; L28-V54 PolarHBondContact O-N 2.92Å; I33-V54 HydrophobicContact CD1-CG1 4.14Å; I33-V54 HydrophobicContact CG1-CB 4.49Å; I33-V54 HydrophobicContact CG1-CG1 4.16Å; I33-V54 HydrophobicContact CG1-CG2 4.47Å; H50-V54 HydrophobicContact CB-CG2 3.48Å; H50-V54 VanDerWaalsContact CB-CG2 3.48Å; H50-V54 WeakPolarHBondContact CD2-CG2 3.23Å; H50-V54 VanDerWaalsContact CG-CG2 3.46Å; G52-V54 PolarHBondContact O-N 3.38Å
55	R	95.2	Very high	93.5	Very high	52 Å²	52	49.7 Å²	49.7	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-45	-173.1	-56.3	179.5	-175.6	-94.8	-6	112.5	K13 G14 G69 D71 R97	K13-R55 HydrophobicContact CB-CG 4.45Å; G14-R55 WeakPolarHBondContact CA-O 3.32Å; R55-G69 PolarHBondContact N-O 2.92Å; R55-D71 WeakPolarHBondContact CD-OD1 3.29Å; R55-D71 IonicContact CZ-OD1 3.9Å; R55-D71 IonicContact CZ-OD2 3.4Å; R55-D71 IonicContact NE-OD1 3.89Å; R55-D71 PolarHBondContact NE-OD1 3.1Å; R55-D71 IonicContact NE-OD2 2.96Å; R55-D71 PolarHBondContact NE-OD2 3.27Å; R55-D71 IonicContact NH2-OD1 2.8Å; R55-D71 IonicContact NH2-OD2 3.59Å; R55-D71 PolarHBondContact NH2-OD2 3.1Å; R55-R97 CarbonylContact C-O 3.5Å; R55-R97 WeakPolarHBondContact CB-O 3.44Å; R55-R97 VanDerWaalsContact NE-NH1 3.13Å
56	G	93.6	Very high	93.7	Very high	2 Å²	2	48.3 Å²	48.3	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.1	176.5	0	0	0	0	0	111.1	S68 G69 T99	G56-S68 CarbonylContact O-C 3.27Å; G56-S68 VanDerWaalsContact O-CA 3.25Å; G56-S68 WeakPolarHBondContact O-CA 3.37Å; G56-G69 PolarHBondContact N-O 3.27Å; G56-G69 PolarHBondContact O-N 3.45Å; G56-T99 WeakPolarHBondContact CA-OG1 3.33Å; G56-T99 PolarHBondContact O-OG1 2.95Å
57	I	96.9	Very high	93.8	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	135	171.2	-167.6	161.3	0	0	0	111	G14 L25 I33 F66 V67 T99	G14-I57 VanDerWaalsContact C-CG2 3.42Å; L25-I57 HydrophobicContact CB-CD1 3.74Å; L25-I57 HydrophobicContact CB-CG1 4.23Å; L25-I57 HydrophobicContact CD1-CD1 4.2Å; L25-I57 HydrophobicContact CD1-CG1 4.3Å; L25-I57 HydrophobicContact CD2-CD1 4.33Å; L25-I57 HydrophobicContact CG-CD1 4.31Å; I33-I57 HydrophobicContact CB-CD1 4.48Å; I33-I57 HydrophobicContact CD1-CD1 4.38Å; I33-I57 HydrophobicContact CG1-CD1 4.34Å; I33-I57 HydrophobicContact CG2-CD1 3.4Å; I33-I57 VanDerWaalsContact CG2-CD1 3.4Å; I57-F66 HydrophobicContact CD1-CD2 4.48Å; I57-F66 HydrophobicContact CG1-CD2 4.48Å; I57-V67 VanDerWaalsContact CA-O 3.32Å; I57-V67 WeakPolarHBondContact CA-O 3.49Å; I57-T99 PolarHBondContact N-OG1 3.19Å
58	D	96.6	Very high	93.9	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.15	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.7	175.1	-167.2	32.2	0	0	0	113.9	S16 F66 V67 F100 F101	S16-D58 PolarHBondContact OG-OD1 3.48Å; D58-F66 CarbonylContact O-C 3.53Å; D58-F66 VanDerWaalsContact O-CA 3.25Å; D58-F66 WeakPolarHBondContact O-CA 3.47Å; D58-F66 WeakPolarHBondContact O-CB 3.47Å; D58-V67 HydrophobicContact CB-CG1 4.07Å; D58-V67 PolarHBondContact N-O 3.39Å; D58-V67 PolarHBondContact O-N 3.01Å; D58-F100 HydrophobicContact CB-CD1 4.12Å; D58-F101 HydrophobicContact CB-CD2 4.44Å; D58-F101 PolarHBondContact OD2-N 2.96Å
59	F	95.8	Very high	94.1	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.022	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139	174.3	-90.7	-67.4	0	0	0	111.2	S16 F17 H18 L25 L35 F66 Y80	S16-F59 PolarHBondContact OG-N 3.36Å; F17-F59 VanDerWaalsContact C-CD2 3.49Å; H18-F59 HydrophobicContact CB-CD2 4.02Å; H18-F59 HydrophobicContact CB-CE1 4.41Å; H18-F59 HydrophobicContact CB-CE2 3.73Å; H18-F59 HydrophobicContact CB-CG 4.44Å; H18-F59 HydrophobicContact CB-CZ 3.91Å; H18-F59 AromaticContact CD2-CE1 3.77Å; L25-F59 HydrophobicContact CB-CD2 4.34Å; L25-F59 HydrophobicContact CB-CE2 3.78Å; L25-F59 HydrophobicContact CB-CZ 4.22Å; L25-F59 HydrophobicContact CD1-CD1 3.77Å; L25-F59 HydrophobicContact CD1-CD2 3.73Å; L25-F59 HydrophobicContact CD1-CE1 3.45Å; L25-F59 VanDerWaalsContact CD1-CE1 3.45Å; L25-F59 HydrophobicContact CD1-CE2 3.43Å; L25-F59 VanDerWaalsContact CD1-CE2 3.43Å; L25-F59 HydrophobicContact CD1-CG 3.92Å; L25-F59 HydrophobicContact CD1-CZ 3.31Å; L25-F59 HydrophobicContact CD2-CZ 4.36Å; L25-F59 HydrophobicContact CG-CD2 4.13Å; L25-F59 HydrophobicContact CG-CE1 3.97Å; L25-F59 HydrophobicContact CG-CE2 3.38Å; L25-F59 HydrophobicContact CG-CZ 3.31Å; L35-F59 HydrophobicContact CD1-CZ 3.69Å; F59-F66 HydrophobicContact CD1-CB 4.08Å; F59-F66 HydrophobicContact CE1-CB 4.47Å; F59-Y80 HydrophobicContact CD1-CD1 4.4Å; F59-Y80 HydrophobicContact CD1-CE1 4.19Å; F59-Y80 AromaticContact CE1-CD1 3.91Å; F59-Y80 HydrophobicContact CE1-CD1 3.91Å; F59-Y80 AromaticContact CE1-CE1 3.93Å; F59-Y80 HydrophobicContact CE1-CE1 3.93Å
60	H	94.4	Very high	94.3	Very high	22 Å²	22	33.7 Å²	33.7	10%	0.102	17%	0.171	C	C	.	.			trans	-71.2	138.2	166.3	-170.4	-75.3	0	0	0	110.4	Q62 Q63 L65 F101	H60-Q62 PolarHBondContact ND1-N 3.21Å; H60-Q62 VanDerWaalsContact ND1-N 3.15Å; H60-Q62 PolarHBondContact O-N 3.21Å; H60-Q63 PolarHBondContact ND1-N 3.4Å; H60-L65 HydrophobicContact CB-CB 3.93Å; H60-L65 WeakPolarHBondContact CB-O 2.92Å; H60-L65 PolarHBondContact N-O 3.28Å; H60-F101 HydrophobicContact CB-CD2 3.98Å; H60-F101 HydrophobicContact CB-CE2 3.9Å; H60-F101 HydrophobicContact CB-CG 4.31Å; H60-F101 HydrophobicContact CB-CZ 4.19Å; H60-F101 AromaticContact CD2-CD1 3.71Å; H60-F101 AromaticContact CD2-CE1 3.86Å
61	K	88.1	Confident	94.4	Very high	114 Å²	114	34 Å²	34	50%	0.496	17%	0.173	S	C	.	.	S	Bend	trans	-64.6	-35.1	-173	-68.9	-170.7	-179.8	-172.8	0	114.3	P19 H103	P19-K61 WeakPolarHBondContact CG-O 3.24Å; K61-H103 HydrophobicContact CD-CB 4.06Å
62	Q	88.2	Confident	94.5	Very high	165 Å²	165	28.4 Å²	28.4	77%	0.771	14%	0.143	S	C	*	.	S	Bend	trans	-117.5	-55.7	-172.1	-58.5	-178.4	4.4	0	0	114.1	H60	H60-Q62 PolarHBondContact ND1-N 3.21Å; H60-Q62 VanDerWaalsContact ND1-N 3.15Å; H60-Q62 PolarHBondContact O-N 3.21Å
63	Q	91.3	Very high	94.7	Very high	78 Å²	78	32 Å²	32	36%	0.364	15%	0.15	S	C	.	.	S	Bend	trans	-72.8	155.9	-179.8	-59.4	-167.2	11	0	0	112.7	H60 L65	H60-Q63 PolarHBondContact ND1-N 3.4Å; Q63-L65 HydrophobicContact CB-CD1 4.18Å; Q63-L65 HydrophobicContact CB-CG 4.08Å; Q63-L65 PolarHBondContact O-N 3.11Å
64	P	93.5	Very high	94.7	Very high	34 Å²	34	34.7 Å²	34.7	22%	0.221	16%	0.159	C	C	.	.	S	Bend	trans	-77.9	49.8	-179.2	34.9	-37.3	0	0	0	113.2	N79 Y80 K81	P64-N79 WeakPolarHBondContact O-CA 3.32Å; P64-N79 PolarHBondContact O-OD1 3.01Å; P64-Y80 VanDerWaalsContact C-CD1 3.48Å; P64-Y80 WeakPolarHBondContact CA-OH 3.48Å; P64-Y80 HydrophobicContact CB-CD1 4.49Å; P64-Y80 HydrophobicContact CB-CD2 4.44Å; P64-Y80 HydrophobicContact CB-CE1 3.92Å; P64-Y80 HydrophobicContact CB-CE2 3.81Å; P64-Y80 WeakPolarHBondContact O-CD1 3.49Å; P64-Y80 PolarHBondContact O-N 3.19Å; P64-K81 HydrophobicContact CB-CD 3.87Å; P64-K81 HydrophobicContact CB-CG 3.92Å; P64-K81 HydrophobicContact CG-CD 4.16Å
65	L	94.9	Very high	94.7	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	151.2	-175.3	-57.5	178.2	0	0	0	111.3	H60 Q63 W78 N79 L86 W122	H60-L65 HydrophobicContact CB-CB 3.93Å; H60-L65 WeakPolarHBondContact CB-O 2.92Å; H60-L65 PolarHBondContact N-O 3.28Å; Q63-L65 HydrophobicContact CB-CD1 4.18Å; Q63-L65 HydrophobicContact CB-CG 4.08Å; Q63-L65 PolarHBondContact O-N 3.11Å; L65-W78 VanDerWaalsContact CA-O 3.23Å; L65-W78 WeakPolarHBondContact CA-O 3.5Å; L65-W78 WeakPolarHBondContact CD2-O 3.43Å; L65-N79 HydrophobicContact CD2-CB 4.11Å; L65-L86 HydrophobicContact CD2-CD1 3.55Å; L65-W122 HydrophobicContact CD1-CE3 4.33Å; L65-W122 HydrophobicContact CD1-CH2 4.2Å; L65-W122 HydrophobicContact CD1-CZ3 4.02Å
66	F	96.8	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	155.8	162.2	72.3	-91.7	0	0	0	109.8	L25 I33 F47 I57 D58 F59 W78 Y80	L25-F66 HydrophobicContact CD1-CB 3.44Å; L25-F66 VanDerWaalsContact CD1-CB 3.44Å; L25-F66 HydrophobicContact CD1-CD1 3.97Å; L25-F66 HydrophobicContact CD1-CD2 3.79Å; L25-F66 HydrophobicContact CD1-CG 3.48Å; L25-F66 VanDerWaalsContact CD1-CG 3.48Å; I33-F66 HydrophobicContact CD1-CE2 4.07Å; I33-F66 HydrophobicContact CG2-CE2 4.13Å; I33-F66 HydrophobicContact CG2-CZ 4.48Å; F47-F66 HydrophobicContact CD1-CE1 4.45Å; F47-F66 HydrophobicContact CD1-CZ 4.07Å; F47-F66 HydrophobicContact CD2-CE1 4.22Å; F47-F66 AromaticContact CD2-CZ 3.68Å; F47-F66 HydrophobicContact CD2-CZ 3.68Å; F47-F66 HydrophobicContact CE1-CE1 4.02Å; F47-F66 HydrophobicContact CE1-CZ 4.1Å; F47-F66 AromaticContact CE2-CE1 3.79Å; F47-F66 HydrophobicContact CE2-CE1 3.79Å; F47-F66 AromaticContact CE2-CZ 3.74Å; F47-F66 HydrophobicContact CE2-CZ 3.74Å; F47-F66 AromaticContact CG-CZ 3.87Å; F47-F66 HydrophobicContact CG-CZ 3.87Å; F47-F66 AromaticContact CZ-CE1 3.69Å; F47-F66 HydrophobicContact CZ-CE1 3.69Å; F47-F66 AromaticContact CZ-CZ 3.96Å; F47-F66 HydrophobicContact CZ-CZ 3.96Å; I57-F66 HydrophobicContact CD1-CD2 4.48Å; I57-F66 HydrophobicContact CG1-CD2 4.48Å; D58-F66 CarbonylContact O-C 3.53Å; D58-F66 VanDerWaalsContact O-CA 3.25Å; D58-F66 WeakPolarHBondContact O-CA 3.47Å; D58-F66 WeakPolarHBondContact O-CB 3.47Å; F59-F66 HydrophobicContact CD1-CB 4.08Å; F59-F66 HydrophobicContact CE1-CB 4.47Å; F66-W78 HydrophobicContact CD1-CB 3.67Å; F66-W78 HydrophobicContact CD1-CG 4.43Å; F66-W78 HydrophobicContact CD2-CB 4.05Å; F66-W78 AromaticContact CD2-CD1 3.62Å; F66-W78 HydrophobicContact CD2-CG 4.02Å; F66-W78 HydrophobicContact CE1-CB 3.27Å; F66-W78 AromaticContact CE1-CG 3.87Å; F66-W78 HydrophobicContact CE1-CG 3.87Å; F66-W78 HydrophobicContact CE2-CB 3.68Å; F66-W78 AromaticContact CE2-CD1 3.18Å; F66-W78 HydrophobicContact CE2-CD2 4.08Å; F66-W78 AromaticContact CE2-CG 3.38Å; F66-W78 HydrophobicContact CE2-CG 3.38Å; F66-W78 AromaticContact CE2-NE1 3.75Å; F66-W78 HydrophobicContact CG-CB 4.04Å; F66-W78 HydrophobicContact CZ-CB 3.28Å; F66-W78 AromaticContact CZ-CD1 3.65Å; F66-W78 AromaticContact CZ-CD2 3.84Å; F66-W78 HydrophobicContact CZ-CD2 3.84Å; F66-W78 HydrophobicContact CZ-CE3 4.45Å; F66-W78 AromaticContact CZ-CG 3.3Å; F66-W78 HydrophobicContact CZ-CG 3.3Å; F66-W78 PolarHBondContact N-O 3.19Å; F66-W78 VanDerWaalsContact N-O 3.1Å; F66-W78 PolarHBondContact O-N 3.02Å; F66-Y80 HydrophobicContact CD1-CD1 4.29Å
67	V	97.1	Very high	94.9	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.1	178.3	64	0	0	0	0	109.3	I57 D58 I75 K76 V77 F101 I108	I57-V67 VanDerWaalsContact CA-O 3.32Å; I57-V67 WeakPolarHBondContact CA-O 3.49Å; D58-V67 HydrophobicContact CB-CG1 4.07Å; D58-V67 PolarHBondContact N-O 3.39Å; D58-V67 PolarHBondContact O-N 3.01Å; V67-I75 HydrophobicContact CG2-CG2 3.43Å; V67-I75 VanDerWaalsContact CG2-CG2 3.43Å; V67-K76 WeakPolarHBondContact CA-O 3.47Å; V67-V77 HydrophobicContact CG2-CG2 4.33Å; V67-F101 HydrophobicContact CB-CD2 4.39Å; V67-F101 HydrophobicContact CB-CE2 3.63Å; V67-F101 HydrophobicContact CB-CZ 3.77Å; V67-F101 HydrophobicContact CG1-CD2 3.77Å; V67-F101 HydrophobicContact CG1-CE2 3.49Å; V67-F101 VanDerWaalsContact CG1-CE2 3.49Å; V67-F101 HydrophobicContact CG1-CZ 4.05Å; V67-I108 HydrophobicContact CB-CD1 4.38Å; V67-I108 HydrophobicContact CG2-CD1 4.01Å; V67-I108 HydrophobicContact CG2-CG2 4.03Å
68	S	97.3	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.8	170.9	59.1	0	0	0	0	111.8	I33 H50 G56 I75 K76 W78	I33-S68 VanDerWaalsContact CD1-CB 3.42Å; I33-S68 WeakPolarHBondContact CD1-OG 3.4Å; H50-S68 PolarHBondContact CD2-OG 3.03Å; H50-S68 PolarHBondContact NE2-OG 3.4Å; G56-S68 CarbonylContact O-C 3.27Å; G56-S68 VanDerWaalsContact O-CA 3.25Å; G56-S68 WeakPolarHBondContact O-CA 3.37Å; S68-I75 CarbonylContact O-C 3.49Å; S68-I75 VanDerWaalsContact O-CA 3.3Å; S68-I75 WeakPolarHBondContact O-CA 3.48Å; S68-K76 PolarHBondContact N-O 3.31Å; S68-K76 PolarHBondContact O-N 3.32Å; S68-W78 PolarHBondContact OG-NE1 2.98Å
69	G	96.6	Very high	94.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.2	174.2	0	0	0	0	0	110.6	R55 G56	R55-G69 PolarHBondContact N-O 2.92Å; G56-G69 PolarHBondContact N-O 3.27Å; G56-G69 PolarHBondContact O-N 3.45Å
70	G	95.3	Very high	94.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	169.9	-175.7	0	0	0	0	0	114.7	P53 D72 Y73 K74 I96	P53-G70 CarbonylContact O-C 3.56Å; P53-G70 WeakPolarHBondContact O-CA 3.47Å; G70-D72 WeakPolarHBondContact CA-OD1 3.15Å; G70-D72 PolarHBondContact O-N 3.47Å; G70-Y73 PolarHBondContact O-N 2.87Å; G70-K74 PolarHBondContact N-O 2.86Å; G70-I96 PolarHBondContact O-N 3.35Å
71	D	95.8	Very high	94.5	Very high	17 Å²	17	38.3 Å²	38.3	9%	0.091	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.7	168.7	-73.1	4.7	0	0	0	111.6	P53 R55 Y73 Y95	P53-D71 HydrophobicContact CB-CB 4.44Å; P53-D71 WeakPolarHBondContact CB-OD2 3.49Å; P53-D71 HydrophobicContact CG-CB 4.42Å; P53-D71 VanDerWaalsContact CG-OD2 3.29Å; P53-D71 WeakPolarHBondContact CG-OD2 3.48Å; P53-D71 PolarHBondContact O-N 3.25Å; R55-D71 WeakPolarHBondContact CD-OD1 3.29Å; R55-D71 IonicContact CZ-OD1 3.9Å; R55-D71 IonicContact CZ-OD2 3.4Å; R55-D71 IonicContact NE-OD1 3.89Å; R55-D71 PolarHBondContact NE-OD1 3.1Å; R55-D71 IonicContact NE-OD2 2.96Å; R55-D71 PolarHBondContact NE-OD2 3.27Å; R55-D71 IonicContact NH2-OD1 2.8Å; R55-D71 IonicContact NH2-OD2 3.59Å; R55-D71 PolarHBondContact NH2-OD2 3.1Å; D71-Y73 WeakPolarHBondContact O-CD1 3.45Å; D71-Y73 WeakPolarHBondContact O-CE1 3.41Å; D71-Y73 PolarHBondContact O-N 3.18Å; D71-Y95 HydrophobicContact CB-CD1 3.52Å; D71-Y95 HydrophobicContact CB-CE1 3.79Å; D71-Y95 HydrophobicContact CB-CG 4.1Å; D71-Y95 WeakPolarHBondContact O-CD1 3.47Å; D71-Y95 WeakPolarHBondContact O-CE1 3.44Å
72	D	94.2	Very high	94.6	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.112	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	10.8	170.2	62	-6.1	0	0	0	113.9	H50 D51 G70 K74	H50-D72 IonicContact CE1-OD1 3.34Å; H50-D72 IonicContact CE1-OD2 2.86Å; H50-D72 IonicContact CG-OD2 3.23Å; H50-D72 VanDerWaalsContact ND1-CG 3.32Å; H50-D72 IonicContact ND1-OD1 2.98Å; H50-D72 PolarHBondContact ND1-OD1 3.29Å; H50-D72 IonicContact ND1-OD2 3.46Å; H50-D72 PolarHBondContact ND1-OD2 2.96Å; D51-D72 HydrophobicContact CB-CB 4.23Å; D51-D72 PolarHBondContact N-OD2 3.28Å; D51-D72 WeakPolarHBondContact O-CB 3.49Å; G70-D72 WeakPolarHBondContact CA-OD1 3.15Å; G70-D72 PolarHBondContact O-N 3.47Å; D72-K74 HydrophobicContact CB-CD 4.43Å; D72-K74 WeakPolarHBondContact O-CG 3.32Å; D72-K74 PolarHBondContact O-N 2.75Å; D72-K74 VanDerWaalsContact O-N 3.1Å; D72-K74 WeakPolarHBondContact OD1-CB 3.47Å; D72-K74 PolarHBondContact OD1-N 3.1Å
73	Y	94.6	Very high	94.7	Very high	97 Å²	97	37.1 Å²	37.1	38%	0.38	17%	0.167	S	C	.	.	S	Bend	trans	62.3	13	-178.7	-38.9	-38.5	0	0	0	114.2	G70 D71 D94 Y95	G70-Y73 PolarHBondContact O-N 2.87Å; D71-Y73 WeakPolarHBondContact O-CD1 3.45Å; D71-Y73 WeakPolarHBondContact O-CE1 3.41Å; D71-Y73 PolarHBondContact O-N 3.18Å; Y73-D94 VanDerWaalsContact CD1-CA 3.45Å; Y73-D94 WeakPolarHBondContact CD1-O 3.18Å; Y73-D94 VanDerWaalsContact CE1-C 3.44Å; Y73-D94 VanDerWaalsContact CE1-CA 3.42Å; Y73-Y95 HydrophobicContact CD1-CD1 4.06Å; Y73-Y95 AromaticContact CE1-CD1 3.42Å; Y73-Y95 HydrophobicContact CE1-CD1 3.42Å; Y73-Y95 VanDerWaalsContact CE1-CD1 3.42Å; Y73-Y95 AromaticContact CE1-CE1 3.69Å; Y73-Y95 HydrophobicContact CE1-CE1 3.69Å; Y73-Y95 HydrophobicContact CE1-CG 4.45Å
74	K	95.1	Very high	94.7	Very high	79 Å²	79	40.7 Å²	40.7	34%	0.343	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139.4	-176	-69.7	167.4	-169.3	166.9	0	110.8	H50 G70 D72 T88 L90	H50-K74 PolarHBondContact CE1-O 3.42Å; G70-K74 PolarHBondContact N-O 2.86Å; D72-K74 HydrophobicContact CB-CD 4.43Å; D72-K74 WeakPolarHBondContact O-CG 3.32Å; D72-K74 PolarHBondContact O-N 2.75Å; D72-K74 VanDerWaalsContact O-N 3.1Å; D72-K74 WeakPolarHBondContact OD1-CB 3.47Å; D72-K74 PolarHBondContact OD1-N 3.1Å; K74-T88 HydrophobicContact CB-CG2 3.74Å; K74-T88 HydrophobicContact CD-CG2 4.22Å; K74-T88 HydrophobicContact CG-CG2 3.86Å; K74-L90 HydrophobicContact CG-CD2 3.7Å
75	I	96.6	Very high	94.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118	164.9	-55.7	171.1	0	0	0	107.4	V67 S68 T88 L89 I96 S110 W120	V67-I75 HydrophobicContact CG2-CG2 3.43Å; V67-I75 VanDerWaalsContact CG2-CG2 3.43Å; S68-I75 CarbonylContact O-C 3.49Å; S68-I75 VanDerWaalsContact O-CA 3.3Å; S68-I75 WeakPolarHBondContact O-CA 3.48Å; I75-T88 CarbonylContact O-C 3.52Å; I75-T88 WeakPolarHBondContact O-CA 3.27Å; I75-L89 HydrophobicContact CB-CB 4.19Å; I75-L89 HydrophobicContact CG2-CD1 4.44Å; I75-L89 PolarHBondContact N-O 3.45Å; I75-L89 PolarHBondContact O-N 3.31Å; I75-I96 HydrophobicContact CD1-CD1 4.16Å; I75-I96 HydrophobicContact CG1-CD1 3.36Å; I75-S110 WeakPolarHBondContact CD1-OG 3.36Å; I75-W120 HydrophobicContact CD1-CD2 4.5Å; I75-W120 HydrophobicContact CD1-CZ2 4.11Å; I75-W120 VanDerWaalsContact CD1-NE1 3.34Å
76	K	96.2	Very high	94.6	Very high	17 Å²	17	43.1 Å²	43.1	7%	0.074	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.5	178.5	-71.1	178.6	178.4	-91.2	0	110.3	E49 V67 S68 W78 T88	E49-K76 HydrophobicContact CB-CD 4.41Å; E49-K76 WeakPolarHBondContact O-CE 3.5Å; E49-K76 IonicContact OE2-NZ 3.09Å; E49-K76 PolarHBondContact OE2-NZ 3.22Å; V67-K76 WeakPolarHBondContact CA-O 3.47Å; S68-K76 PolarHBondContact N-O 3.31Å; S68-K76 PolarHBondContact O-N 3.32Å; K76-W78 HydrophobicContact CB-CZ2 3.97Å; K76-W78 VanDerWaalsContact CB-NE1 3.34Å; K76-W78 HydrophobicContact CD-CH2 4.19Å; K76-W78 HydrophobicContact CD-CZ2 3.52Å; K76-W78 HydrophobicContact CG-CZ2 4.4Å; K76-T88 HydrophobicContact CG-CG2 4.13Å
77	V	96.8	Very high	94.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.7	173.3	-178.4	0	0	0	0	108.7	V67 L86 F87 I108	V67-V77 HydrophobicContact CG2-CG2 4.33Å; V77-L86 PolarHBondContact O-N 3.29Å; V77-F87 HydrophobicContact CB-CD2 4.36Å; V77-F87 HydrophobicContact CB-CE1 4.36Å; V77-F87 HydrophobicContact CB-CE2 3.89Å; V77-F87 HydrophobicContact CB-CZ 3.88Å; V77-F87 HydrophobicContact CG1-CE1 4.43Å; V77-F87 HydrophobicContact CG1-CZ 4.07Å; V77-F87 HydrophobicContact CG2-CD2 4.37Å; V77-F87 HydrophobicContact CG2-CE2 3.67Å; V77-F87 HydrophobicContact CG2-CZ 3.97Å; V77-F87 PolarHBondContact N-O 3.42Å; V77-I108 HydrophobicContact CG2-CD1 3.74Å
78	W	96.4	Very high	94.4	Very high	3 Å²	3	47 Å²	47	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150	-169.4	-56.3	85	0	0	0	111.1	I33 F47 E49 L65 F66 S68 K76 C85	I33-W78 HydrophobicContact CD1-CZ2 4.46Å; F47-W78 HydrophobicContact CB-CE3 4.27Å; F47-W78 HydrophobicContact CB-CH2 4.04Å; F47-W78 HydrophobicContact CB-CZ3 3.92Å; F47-W78 HydrophobicContact CD1-CD2 4.46Å; F47-W78 AromaticContact CD1-CE3 3.71Å; F47-W78 HydrophobicContact CD1-CE3 3.71Å; F47-W78 AromaticContact CD1-CZ3 3.96Å; F47-W78 HydrophobicContact CD1-CZ3 3.96Å; F47-W78 HydrophobicContact CE1-CE3 4.48Å; F47-W78 HydrophobicContact CG-CE3 4.29Å; F47-W78 HydrophobicContact CG-CZ3 4.37Å; E49-W78 HydrophobicContact CB-CH2 3.65Å; E49-W78 HydrophobicContact CB-CZ2 4.41Å; E49-W78 HydrophobicContact CG-CH2 3.57Å; E49-W78 HydrophobicContact CG-CZ3 3.96Å; L65-W78 VanDerWaalsContact CA-O 3.23Å; L65-W78 WeakPolarHBondContact CA-O 3.5Å; L65-W78 WeakPolarHBondContact CD2-O 3.43Å; F66-W78 HydrophobicContact CD1-CB 3.67Å; F66-W78 HydrophobicContact CD1-CG 4.43Å; F66-W78 HydrophobicContact CD2-CB 4.05Å; F66-W78 AromaticContact CD2-CD1 3.62Å; F66-W78 HydrophobicContact CD2-CG 4.02Å; F66-W78 HydrophobicContact CE1-CB 3.27Å; F66-W78 AromaticContact CE1-CG 3.87Å; F66-W78 HydrophobicContact CE1-CG 3.87Å; F66-W78 HydrophobicContact CE2-CB 3.68Å; F66-W78 AromaticContact CE2-CD1 3.18Å; F66-W78 HydrophobicContact CE2-CD2 4.08Å; F66-W78 AromaticContact CE2-CG 3.38Å; F66-W78 HydrophobicContact CE2-CG 3.38Å; F66-W78 AromaticContact CE2-NE1 3.75Å; F66-W78 HydrophobicContact CG-CB 4.04Å; F66-W78 HydrophobicContact CZ-CB 3.28Å; F66-W78 AromaticContact CZ-CD1 3.65Å; F66-W78 AromaticContact CZ-CD2 3.84Å; F66-W78 HydrophobicContact CZ-CD2 3.84Å; F66-W78 HydrophobicContact CZ-CE3 4.45Å; F66-W78 AromaticContact CZ-CG 3.3Å; F66-W78 HydrophobicContact CZ-CG 3.3Å; F66-W78 PolarHBondContact N-O 3.19Å; F66-W78 VanDerWaalsContact N-O 3.1Å; F66-W78 PolarHBondContact O-N 3.02Å; S68-W78 PolarHBondContact OG-NE1 2.98Å; K76-W78 HydrophobicContact CB-CZ2 3.97Å; K76-W78 VanDerWaalsContact CB-NE1 3.34Å; K76-W78 HydrophobicContact CD-CH2 4.19Å; K76-W78 HydrophobicContact CD-CZ2 3.52Å; K76-W78 HydrophobicContact CG-CZ2 4.4Å; W78-C85 HydrophobicContact CD2-CB 4.17Å; W78-C85 HydrophobicContact CE3-CB 3.67Å; W78-C85 VanDerWaalsContact CE3-N 3.33Å; W78-C85 HydrophobicContact CH2-CB 4.17Å; W78-C85 HydrophobicContact CZ3-CB 3.65Å
79	N	95.2	Very high	94.2	Very high	22 Å²	22	47.3 Å²	47.3	12%	0.118	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.5	166.1	-174.1	-37.8	0	0	0	109.3	P64 L65 K81 L82 R83 R84 L86	P64-N79 WeakPolarHBondContact O-CA 3.32Å; P64-N79 PolarHBondContact O-OD1 3.01Å; L65-N79 HydrophobicContact CD2-CB 4.11Å; N79-K81 VanDerWaalsContact C-N 3.25Å; N79-K81 PolarHBondContact O-N 3.46Å; N79-K81 WeakPolarHBondContact OD1-CB 3.43Å; N79-K81 PolarHBondContact OD1-N 3.1Å; N79-L82 HydrophobicContact CB-CB 4.15Å; N79-L82 HydrophobicContact CB-CD1 4.33Å; N79-L82 HydrophobicContact CB-CG 4.36Å; N79-L82 PolarHBondContact O-N 2.97Å; N79-L82 PolarHBondContact OD1-N 3.49Å; N79-L82 VanDerWaalsContact OD1-N 3.14Å; N79-R83 PolarHBondContact O-N 3.28Å; N79-R84 PolarHBondContact N-O 3.14Å; N79-R84 VanDerWaalsContact N-O 3.09Å; N79-L86 HydrophobicContact CB-CD1 4.05Å; N79-L86 HydrophobicContact CB-CD2 3.93Å; N79-L86 HydrophobicContact CB-CG 3.93Å
80	Y	92.3	Very high	94	Very high	16 Å²	16	53.1 Å²	53.1	6%	0.063	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.6	-176.5	62.5	-108.9	0	0	0	113.5	H18 W23 F59 P64 F66	H18-Y80 AromaticContact NE2-CZ 3.96Å; H18-Y80 PolarHBondContact NE2-OH 2.95Å; W23-Y80 AromaticContact CZ3-CD2 3.93Å; W23-Y80 HydrophobicContact CZ3-CD2 3.93Å; W23-Y80 AromaticContact CZ3-CE2 3.71Å; W23-Y80 HydrophobicContact CZ3-CE2 3.71Å; F59-Y80 HydrophobicContact CD1-CD1 4.4Å; F59-Y80 HydrophobicContact CD1-CE1 4.19Å; F59-Y80 AromaticContact CE1-CD1 3.91Å; F59-Y80 HydrophobicContact CE1-CD1 3.91Å; F59-Y80 AromaticContact CE1-CE1 3.93Å; F59-Y80 HydrophobicContact CE1-CE1 3.93Å; P64-Y80 VanDerWaalsContact C-CD1 3.48Å; P64-Y80 WeakPolarHBondContact CA-OH 3.48Å; P64-Y80 HydrophobicContact CB-CD1 4.49Å; P64-Y80 HydrophobicContact CB-CD2 4.44Å; P64-Y80 HydrophobicContact CB-CE1 3.92Å; P64-Y80 HydrophobicContact CB-CE2 3.81Å; P64-Y80 WeakPolarHBondContact O-CD1 3.49Å; P64-Y80 PolarHBondContact O-N 3.19Å; F66-Y80 HydrophobicContact CD1-CD1 4.29Å
81	K	91.7	Very high	93.7	Very high	134 Å²	134	54.5 Å²	54.5	58%	0.583	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-39	172.6	-70.5	-175.7	177.6	-177.9	0	112	P64 N79 R83	P64-K81 HydrophobicContact CB-CD 3.87Å; P64-K81 HydrophobicContact CB-CG 3.92Å; P64-K81 HydrophobicContact CG-CD 4.16Å; N79-K81 VanDerWaalsContact C-N 3.25Å; N79-K81 PolarHBondContact O-N 3.46Å; N79-K81 WeakPolarHBondContact OD1-CB 3.43Å; N79-K81 PolarHBondContact OD1-N 3.1Å; K81-R83 VanDerWaalsContact C-N 3.3Å
82	L	91.5	Very high	93.6	Very high	97 Å²	97	54.2 Å²	54.2	51%	0.508	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.7	178.1	-61.2	179.1	0	0	0	112.9	N79 R84 L86	N79-L82 HydrophobicContact CB-CB 4.15Å; N79-L82 HydrophobicContact CB-CD1 4.33Å; N79-L82 HydrophobicContact CB-CG 4.36Å; N79-L82 PolarHBondContact O-N 2.97Å; N79-L82 PolarHBondContact OD1-N 3.49Å; N79-L82 VanDerWaalsContact OD1-N 3.14Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 HydrophobicContact CB-CG 4.11Å; L82-R84 PolarHBondContact O-N 3.02Å; L82-L86 HydrophobicContact CD1-CD2 4.49Å
83	R	90.4	Very high	93.6	Very high	157 Å²	157	59.7 Å²	59.7	59%	0.592	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	35.1	178.5	-59.6	177.7	167.4	177.6	-9.9	114	D45 N79 K81	D45-R83 VanDerWaalsContact CG-NE 3.31Å; D45-R83 IonicContact OD1-CZ 2.77Å; D45-R83 IonicContact OD1-NE 3.05Å; D45-R83 PolarHBondContact OD1-NE 3.21Å; D45-R83 IonicContact OD1-NH1 2.67Å; D45-R83 IonicContact OD1-NH2 3.29Å; D45-R83 PolarHBondContact OD1-NH2 3.31Å; D45-R83 IonicContact OD2-CZ 2.67Å; D45-R83 IonicContact OD2-NE 2.74Å; D45-R83 PolarHBondContact OD2-NE 3.06Å; D45-R83 IonicContact OD2-NH2 3.07Å; D45-R83 PolarHBondContact OD2-NH2 3.17Å; N79-R83 PolarHBondContact O-N 3.28Å; K81-R83 VanDerWaalsContact C-N 3.3Å
84	R	90.1	Very high	93.6	Very high	152 Å²	152	57.2 Å²	57.2	57%	0.574	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.6	179.9	68.7	178.5	-176.2	177.6	0.6	112.9	N79 L82	N79-R84 PolarHBondContact N-O 3.14Å; N79-R84 VanDerWaalsContact N-O 3.09Å; L82-R84 VanDerWaalsContact C-N 3.27Å; L82-R84 HydrophobicContact CB-CG 4.11Å; L82-R84 PolarHBondContact O-N 3.02Å
85	C	93.3	Very high	93.7	Very high	23 Å²	23	57.7 Å²	57.7	16%	0.155	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.7	165.9	-174.1	0	0	0	0	109.6	E49 W78	E49-C85 VanDerWaalsContact OE1-CB 3.31Å; E49-C85 WeakPolarHBondContact OE1-CB 3.37Å; E49-C85 WeakPolarHBondContact OE2-CB 3.47Å; W78-C85 HydrophobicContact CD2-CB 4.17Å; W78-C85 HydrophobicContact CE3-CB 3.67Å; W78-C85 VanDerWaalsContact CE3-N 3.33Å; W78-C85 HydrophobicContact CH2-CB 4.17Å; W78-C85 HydrophobicContact CZ3-CB 3.65Å
86	L	93.5	Very high	93.7	Very high	69 Å²	69	57.7 Å²	57.7	36%	0.361	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-48.2	176.3	-67	-177.1	0	0	0	111.2	L65 V77 N79 L82	L65-L86 HydrophobicContact CD2-CD1 3.55Å; V77-L86 PolarHBondContact O-N 3.29Å; N79-L86 HydrophobicContact CB-CD1 4.05Å; N79-L86 HydrophobicContact CB-CD2 3.93Å; N79-L86 HydrophobicContact CB-CG 3.93Å; L82-L86 HydrophobicContact CD1-CD2 4.49Å
87	F	94	Very high	93.7	Very high	30 Å²	30	58.8 Å²	58.8	13%	0.132	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	163.5	178.3	54.4	-93.3	0	0	0	110.6	V77 L89 W122 R125	V77-F87 HydrophobicContact CB-CD2 4.36Å; V77-F87 HydrophobicContact CB-CE1 4.36Å; V77-F87 HydrophobicContact CB-CE2 3.89Å; V77-F87 HydrophobicContact CB-CZ 3.88Å; V77-F87 HydrophobicContact CG1-CE1 4.43Å; V77-F87 HydrophobicContact CG1-CZ 4.07Å; V77-F87 HydrophobicContact CG2-CD2 4.37Å; V77-F87 HydrophobicContact CG2-CE2 3.67Å; V77-F87 HydrophobicContact CG2-CZ 3.97Å; V77-F87 PolarHBondContact N-O 3.42Å; F87-L89 HydrophobicContact CD2-CD2 4.03Å; F87-L89 HydrophobicContact CD2-CG 4.27Å; F87-L89 HydrophobicContact CE2-CD2 3.96Å; F87-L89 HydrophobicContact CE2-CG 4.17Å; F87-W122 HydrophobicContact CZ-CB 4.3Å; F87-W122 WeakPolarHBondContact CZ-O 3.33Å; F87-R125 HydrophobicContact CD2-CG 4.3Å; F87-R125 HydrophobicContact CE2-CG 4.22Å; F87-R125 HydrophobicContact CZ-CG 4.46Å
88	T	95.5	Very high	93.6	Very high	53 Å²	53	59.1 Å²	59.1	33%	0.325	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.4	177	-54.9	0	0	0	0	109.1	K74 I75 K76 L90	K74-T88 HydrophobicContact CB-CG2 3.74Å; K74-T88 HydrophobicContact CD-CG2 4.22Å; K74-T88 HydrophobicContact CG-CG2 3.86Å; I75-T88 CarbonylContact O-C 3.52Å; I75-T88 WeakPolarHBondContact O-CA 3.27Å; K76-T88 HydrophobicContact CG-CG2 4.13Å; T88-L90 HydrophobicContact CG2-CD2 4.09Å; T88-L90 HydrophobicContact CG2-CG 4.46Å
89	L	94.1	Very high	93.7	Very high	6 Å²	6	59 Å²	59	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.4	171.2	-54.6	170.3	0	0	0	108.6	I75 F87 I108 W120 R125	I75-L89 HydrophobicContact CB-CB 4.19Å; I75-L89 HydrophobicContact CG2-CD1 4.44Å; I75-L89 PolarHBondContact N-O 3.45Å; I75-L89 PolarHBondContact O-N 3.31Å; F87-L89 HydrophobicContact CD2-CD2 4.03Å; F87-L89 HydrophobicContact CD2-CG 4.27Å; F87-L89 HydrophobicContact CE2-CD2 3.96Å; F87-L89 HydrophobicContact CE2-CG 4.17Å; L89-I108 HydrophobicContact CD1-CD1 4.29Å; L89-W120 HydrophobicContact CB-CD2 4.46Å; L89-W120 HydrophobicContact CB-CE3 4.1Å; L89-W120 HydrophobicContact CB-CZ3 4.28Å; L89-W120 HydrophobicContact CD1-CB 3.87Å; L89-W120 HydrophobicContact CD1-CD2 4.24Å; L89-W120 HydrophobicContact CD1-CE3 4.3Å; L89-W120 HydrophobicContact CD1-CG 4.06Å; L89-R125 HydrophobicContact CD2-CB 4.02Å
90	L	92.8	Very high	93.7	Very high	122 Å²	122	59.7 Å²	59.7	64%	0.639	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.2	-176.8	-63.1	172.5	0	0	0	109.5	K74 T88 W120	K74-L90 HydrophobicContact CG-CD2 3.7Å; T88-L90 HydrophobicContact CG2-CD2 4.09Å; T88-L90 HydrophobicContact CG2-CG 4.46Å; L90-W120 WeakPolarHBondContact O-CH2 3.35Å
91	G	87.7	Confident	93.9	Very high	29 Å²	29	59.6 Å²	59.6	30%	0.299	28%	0.284	S	S	.	.			trans	159.9	-18.2	168.2	0	0	0	0	0	115.7	R118	G91-R118 PolarHBondContact O-NH1 2.85Å; G91-R118 PolarHBondContact O-NH2 3.11Å
92	H	94.1	Very high	94	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.046	26%	0.258	C	S	.	.			trans	-67.2	149.6	165	-82.1	-63	0	0	0	110.7	I96 S110 S112 D114	H92-I96 HydrophobicContact CB-CD1 4.39Å; H92-I96 HydrophobicContact CB-CG1 4.33Å; H92-S110 PolarHBondContact CD2-OG 3.08Å; H92-S110 PolarHBondContact NE2-OG 2.96Å; H92-S112 WeakPolarHBondContact ND1-CB 3.42Å; H92-D114 WeakPolarHBondContact CA-OD2 3.41Å; H92-D114 IonicContact CE1-OD1 3.38Å; H92-D114 IonicContact CE1-OD2 2.8Å; H92-D114 IonicContact CG-OD2 3.87Å; H92-D114 IonicContact ND1-OD1 2.88Å; H92-D114 PolarHBondContact ND1-OD1 3.34Å; H92-D114 IonicContact ND1-OD2 3.58Å; H92-D114 PolarHBondContact ND1-OD2 2.67Å
93	L	93.5	Very high	93.8	Very high	137 Å²	137	50.8 Å²	50.8	72%	0.717	24%	0.243	S	C	*	.	S	Bend	trans	-104.9	-8.8	-176.2	-59.7	178.6	0	0	0	113.6	D114	L93-D114 HydrophobicContact CB-CB 4.12Å; L93-D114 PolarHBondContact N-OD2 3.02Å; L93-D114 VanDerWaalsContact N-OD2 3.1Å
94	D	95.9	Very high	93.7	Very high	45 Å²	45	49.8 Å²	49.8	24%	0.241	25%	0.245	C	C	.	.	S	Bend	trans	-148.4	-179.2	-177.8	-150.7	-22.8	0	0	0	110.8	Y73 I96 S112 D113 D114	Y73-D94 VanDerWaalsContact CD1-CA 3.45Å; Y73-D94 WeakPolarHBondContact CD1-O 3.18Å; Y73-D94 VanDerWaalsContact CE1-C 3.44Å; Y73-D94 VanDerWaalsContact CE1-CA 3.42Å; D94-I96 PolarHBondContact O-N 3.35Å; D94-S112 PolarHBondContact O-OG 3.12Å; D94-D113 HydrophobicContact CB-CB 3.86Å; D94-D114 HydrophobicContact CB-CB 4.11Å
95	Y	96.6	Very high	93.7	Very high	89 Å²	89	44.3 Å²	44.3	35%	0.349	22%	0.224	S	C	.	.			trans	-50.8	135.8	-172.3	-61.5	-25.9	0	0	0	113	D71 Y73 S112 D113	D71-Y95 HydrophobicContact CB-CD1 3.52Å; D71-Y95 HydrophobicContact CB-CE1 3.79Å; D71-Y95 HydrophobicContact CB-CG 4.1Å; D71-Y95 WeakPolarHBondContact O-CD1 3.47Å; D71-Y95 WeakPolarHBondContact O-CE1 3.44Å; Y73-Y95 HydrophobicContact CD1-CD1 4.06Å; Y73-Y95 AromaticContact CE1-CD1 3.42Å; Y73-Y95 HydrophobicContact CE1-CD1 3.42Å; Y73-Y95 VanDerWaalsContact CE1-CD1 3.42Å; Y73-Y95 AromaticContact CE1-CE1 3.69Å; Y73-Y95 HydrophobicContact CE1-CE1 3.69Å; Y73-Y95 HydrophobicContact CE1-CG 4.45Å; Y95-S112 CarbonylContact O-C 3.56Å; Y95-S112 WeakPolarHBondContact O-CA 3.45Å; Y95-S112 WeakPolarHBondContact O-CB 3.49Å; Y95-S112 PolarHBondContact O-OG 3.39Å; Y95-D113 PolarHBondContact O-N 2.99Å
96	I	97	Very high	93.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.1	178.4	-53.9	-176.5	0	0	0	108.6	G70 I75 H92 D94 T99	G70-I96 PolarHBondContact O-N 3.35Å; I75-I96 HydrophobicContact CD1-CD1 4.16Å; I75-I96 HydrophobicContact CG1-CD1 3.36Å; H92-I96 HydrophobicContact CB-CD1 4.39Å; H92-I96 HydrophobicContact CB-CG1 4.33Å; D94-I96 PolarHBondContact O-N 3.35Å; I96-T99 HydrophobicContact CG2-CG2 3.74Å
97	R	95.4	Very high	93.6	Very high	40 Å²	40	41.4 Å²	41.4	15%	0.151	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-45.7	-174.3	-62.6	-60.4	-166.4	-165.9	5.9	113	R55 A111 D113 V138 M139	R55-R97 CarbonylContact C-O 3.5Å; R55-R97 WeakPolarHBondContact CB-O 3.44Å; R55-R97 VanDerWaalsContact NE-NH1 3.13Å; R97-A111 PolarHBondContact N-O 2.95Å; R97-D113 IonicContact CZ-OD1 2.61Å; R97-D113 VanDerWaalsContact CZ-OD1 3.28Å; R97-D113 IonicContact CZ-OD2 3.75Å; R97-D113 IonicContact NE-OD1 2.67Å; R97-D113 PolarHBondContact NE-OD1 3.32Å; R97-D113 IonicContact NE-OD2 3.33Å; R97-D113 PolarHBondContact NE-OD2 3.41Å; R97-D113 IonicContact NH1-OD2 3.17Å; R97-D113 VanDerWaalsContact NH2-CG 3.32Å; R97-D113 IonicContact NH2-OD1 3.28Å; R97-D113 PolarHBondContact NH2-OD1 3.12Å; R97-D113 IonicContact NH2-OD2 3.89Å; R97-D113 PolarHBondContact NH2-OD2 2.91Å; R97-V138 WeakPolarHBondContact CG-O 3.36Å; R97-M139 VanDerWaalsContact CB-O 3.27Å; R97-M139 WeakPolarHBondContact CB-O 3.28Å; R97-M139 HydrophobicContact CG-SD 4.45Å
98	T	96	Very high	93.8	Very high	7 Å²	7	40 Å²	40	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.5	179.9	51.9	0	0	0	0	111.4	F100 S110 A111 C140 A141 W210	T98-F100 HydrophobicContact CG2-CE2 4.27Å; T98-S110 WeakPolarHBondContact O-CA 3.4Å; T98-A111 PolarHBondContact O-N 2.98Å; T98-A111 WeakPolarHBondContact OG1-CB 3.41Å; T98-C140 HydrophobicContact CG2-CB 4.29Å; T98-A141 PolarHBondContact OG1-N 2.85Å; T98-A141 VanDerWaalsContact OG1-N 3.13Å; T98-W210 HydrophobicContact CG2-CH2 4.08Å; T98-W210 HydrophobicContact CG2-CZ3 3.74Å
99	T	96.7	Very high	93.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.3	173.1	51.3	0	0	0	0	109.8	G56 I57 I96 L109	G56-T99 WeakPolarHBondContact CA-OG1 3.33Å; G56-T99 PolarHBondContact O-OG1 2.95Å; I57-T99 PolarHBondContact N-OG1 3.19Å; I96-T99 HydrophobicContact CG2-CG2 3.74Å; T99-L109 CarbonylContact C-O 3.59Å; T99-L109 WeakPolarHBondContact CA-O 3.18Å
100	F	96.1	Very high	94	Very high	37 Å²	37	37.2 Å²	37.2	16%	0.162	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.5	179.8	-67.6	-74.4	0	0	0	111.9	D58 T98 I108 L109 A141 Q142 W210	D58-F100 HydrophobicContact CB-CD1 4.12Å; T98-F100 HydrophobicContact CG2-CE2 4.27Å; F100-I108 WeakPolarHBondContact O-CA 3.48Å; F100-L109 PolarHBondContact N-O 3.04Å; F100-L109 PolarHBondContact O-N 3.02Å; F100-A141 WeakPolarHBondContact CD2-O 3.43Å; F100-A141 VanDerWaalsContact CE2-O 3.25Å; F100-A141 WeakPolarHBondContact CE2-O 3.46Å; F100-Q142 HydrophobicContact CD2-CG 4.47Å; F100-Q142 HydrophobicContact CE2-CG 4.47Å; F100-W210 HydrophobicContact CZ-CH2 4.12Å; F100-W210 HydrophobicContact CZ-CZ2 4.28Å
101	F	95.9	Very high	94.1	Very high	13 Å²	13	31.4 Å²	31.4	6%	0.057	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	143.5	168.3	-80.4	-73.5	0	0	0	111	D58 H60 V67 I108 W122	D58-F101 HydrophobicContact CB-CD2 4.44Å; D58-F101 PolarHBondContact OD2-N 2.96Å; H60-F101 HydrophobicContact CB-CD2 3.98Å; H60-F101 HydrophobicContact CB-CE2 3.9Å; H60-F101 HydrophobicContact CB-CG 4.31Å; H60-F101 HydrophobicContact CB-CZ 4.19Å; H60-F101 AromaticContact CD2-CD1 3.71Å; H60-F101 AromaticContact CD2-CE1 3.86Å; V67-F101 HydrophobicContact CB-CD2 4.39Å; V67-F101 HydrophobicContact CB-CE2 3.63Å; V67-F101 HydrophobicContact CB-CZ 3.77Å; V67-F101 HydrophobicContact CG1-CD2 3.77Å; V67-F101 HydrophobicContact CG1-CE2 3.49Å; V67-F101 VanDerWaalsContact CG1-CE2 3.49Å; V67-F101 HydrophobicContact CG1-CZ 4.05Å; F101-I108 HydrophobicContact CD1-CD1 4.42Å; F101-I108 HydrophobicContact CD1-CG1 3.72Å; F101-I108 HydrophobicContact CE1-CD1 3.75Å; F101-I108 HydrophobicContact CE1-CG1 3.55Å; F101-I108 HydrophobicContact CZ-CD1 4.22Å; F101-I108 HydrophobicContact CZ-CG1 4.34Å; F101-W122 AromaticContact CE1-CD1 3.91Å; F101-W122 HydrophobicContact CE1-CG 4.39Å
102	H	93.4	Very high	94.6	Very high	7 Å²	7	30 Å²	30	3%	0.032	14%	0.142	C	C	.	.			trans	-70.1	151.2	164.8	-169.4	-85.1	0	0	0	110.5	E104 Y105 W107 F143	H102-E104 PolarHBondContact ND1-N 3.09Å; H102-Y105 AromaticContact CE1-CD2 3.21Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.31Å; H102-Y105 AromaticContact CE1-CE2 3.68Å; H102-Y105 AromaticContact ND1-CD2 3.51Å; H102-Y105 PolarHBondContact ND1-N 2.97Å; H102-Y105 AromaticContact NE2-CD2 3.84Å; H102-W107 HydrophobicContact CB-CB 3.82Å; H102-W107 PolarHBondContact N-O 2.98Å; H102-F143 HydrophobicContact CB-CD2 4.02Å; H102-F143 HydrophobicContact CB-CE2 3.65Å; H102-F143 HydrophobicContact CB-CZ 4.04Å; H102-F143 AromaticContact CD2-CD1 3.63Å; H102-F143 AromaticContact CD2-CD2 3.93Å; H102-F143 AromaticContact CD2-CE1 3.77Å; H102-F143 AromaticContact CD2-CG 3.72Å; H102-F143 AromaticContact CD2-CZ 3.95Å
103	H	87.7	Confident	94.7	Very high	39 Å²	39	29.8 Å²	29.8	18%	0.181	14%	0.141	C	C	.	.	S	Bend	trans	-80.6	-26.8	-173.4	56.4	-80.9	0	0	0	114.4	K61 H144 P145	K61-H103 HydrophobicContact CD-CB 4.06Å; H103-H144 PolarHBondContact CE1-O 3.29Å; H103-P145 PolarHBondContact NE2-O 2.77Å
104	E	88.5	Confident	94.7	Very high	136 Å²	136	24.6 Å²	24.6	64%	0.636	11%	0.114	S	C	*	.	S	Bend	trans	-117.4	-62.1	178.9	-70.4	175.2	179.9	0	0	113.4	H102	H102-E104 PolarHBondContact ND1-N 3.09Å
105	Y	89.8	Confident	94.6	Very high	38 Å²	38	26.6 Å²	26.6	15%	0.149	12%	0.122	C	C	.	.	S	Bend	trans	-69.8	155.8	-179.7	-53.5	-63.6	0	0	0	113.9	H102 W107 R168	H102-Y105 AromaticContact CE1-CD2 3.21Å; H102-Y105 WeakPolarHBondContact CE1-CD2 3.31Å; H102-Y105 AromaticContact CE1-CE2 3.68Å; H102-Y105 AromaticContact ND1-CD2 3.51Å; H102-Y105 PolarHBondContact ND1-N 2.97Å; H102-Y105 AromaticContact NE2-CD2 3.84Å; Y105-W107 AromaticContact CD2-CE3 3.94Å; Y105-W107 HydrophobicContact CD2-CE3 3.94Å; Y105-W107 HydrophobicContact CD2-CH2 4.01Å; Y105-W107 AromaticContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CG-CD2 4.32Å; Y105-W107 HydrophobicContact CG-CE3 4.16Å; Y105-W107 HydrophobicContact CG-CH2 4.21Å; Y105-W107 HydrophobicContact CG-CZ2 4.37Å; Y105-W107 HydrophobicContact CG-CZ3 4.09Å; Y105-W107 PolarHBondContact O-N 3.35Å; Y105-R168 HydrophobicContact CE1-CG 4.34Å; Y105-R168 HydrophobicContact CE2-CG 4.23Å; Y105-R168 PolarHBondContact OH-NE 3.14Å
106	P	92	Very high	94.5	Very high	30 Å²	30	23.3 Å²	23.3	20%	0.195	11%	0.111	C	C	.	.	S	Bend	trans	-76.5	50	178.1	34.1	-37.5	0	0	0	112.3	N121 W122 Q123	P106-N121 WeakPolarHBondContact O-CA 3.5Å; P106-W122 HydrophobicContact CB-CZ2 4.18Å; P106-W122 PolarHBondContact O-N 3.5Å; P106-W122 VanDerWaalsContact O-N 3.08Å; P106-Q123 HydrophobicContact CB-CG 3.86Å
107	W	93.9	Very high	94.5	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	-108.8	146.8	-175.9	-61.9	-23.5	0	0	0	112.9	H102 Y105 V119 W120 F143 I164 L167 R168 N171	H102-W107 HydrophobicContact CB-CB 3.82Å; H102-W107 PolarHBondContact N-O 2.98Å; Y105-W107 AromaticContact CD2-CE3 3.94Å; Y105-W107 HydrophobicContact CD2-CE3 3.94Å; Y105-W107 HydrophobicContact CD2-CH2 4.01Å; Y105-W107 AromaticContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CD2-CZ3 3.62Å; Y105-W107 HydrophobicContact CG-CD2 4.32Å; Y105-W107 HydrophobicContact CG-CE3 4.16Å; Y105-W107 HydrophobicContact CG-CH2 4.21Å; Y105-W107 HydrophobicContact CG-CZ2 4.37Å; Y105-W107 HydrophobicContact CG-CZ3 4.09Å; Y105-W107 PolarHBondContact O-N 3.35Å; W107-V119 HydrophobicContact CB-CG1 3.89Å; W107-V119 HydrophobicContact CD2-CG1 4.13Å; W107-V119 HydrophobicContact CE3-CG1 4.46Å; W107-V119 HydrophobicContact CG-CG1 3.9Å; W107-W120 CarbonylContact C-O 3.5Å; W107-W120 WeakPolarHBondContact CA-O 3.43Å; W107-F143 HydrophobicContact CB-CZ 4.36Å; W107-I164 HydrophobicContact CZ3-CD1 4.1Å; W107-L167 HydrophobicContact CD2-CD2 4.31Å; W107-L167 HydrophobicContact CE3-CD2 4.38Å; W107-L167 HydrophobicContact CH2-CB 4.04Å; W107-L167 HydrophobicContact CH2-CD2 3.79Å; W107-L167 HydrophobicContact CH2-CG 3.87Å; W107-L167 HydrophobicContact CZ2-CB 4.28Å; W107-L167 HydrophobicContact CZ2-CD2 3.68Å; W107-L167 HydrophobicContact CZ2-CG 3.65Å; W107-L167 HydrophobicContact CZ3-CD2 4.15Å; W107-R168 HydrophobicContact CH2-CB 4.17Å; W107-N171 WeakPolarHBondContact CZ2-ND2 3.4Å; W107-N171 PolarHBondContact NE1-ND2 3.18Å
108	I	96.5	Very high	94.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.2	169	-63.3	170.4	0	0	0	107.1	V67 V77 L89 F100 F101 V119 W120 W122	V67-I108 HydrophobicContact CB-CD1 4.38Å; V67-I108 HydrophobicContact CG2-CD1 4.01Å; V67-I108 HydrophobicContact CG2-CG2 4.03Å; V77-I108 HydrophobicContact CG2-CD1 3.74Å; L89-I108 HydrophobicContact CD1-CD1 4.29Å; F100-I108 WeakPolarHBondContact O-CA 3.48Å; F101-I108 HydrophobicContact CD1-CD1 4.42Å; F101-I108 HydrophobicContact CD1-CG1 3.72Å; F101-I108 HydrophobicContact CE1-CD1 3.75Å; F101-I108 HydrophobicContact CE1-CG1 3.55Å; F101-I108 HydrophobicContact CZ-CD1 4.22Å; F101-I108 HydrophobicContact CZ-CG1 4.34Å; I108-V119 CarbonylContact O-C 3.25Å; I108-V119 WeakPolarHBondContact O-CA 3.39Å; I108-W120 HydrophobicContact CB-CB 4.29Å; I108-W120 PolarHBondContact N-O 3.31Å; I108-W120 PolarHBondContact O-N 2.92Å; I108-W122 HydrophobicContact CD1-CB 3.63Å; I108-W122 HydrophobicContact CD1-CG 4.32Å; I108-W122 HydrophobicContact CG1-CB 4.18Å
109	L	96.6	Very high	94.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.5	169.9	-171.5	67.8	0	0	0	109.2	T99 F100 I117 R118 V119 A141 F143 V150	T99-L109 CarbonylContact C-O 3.59Å; T99-L109 WeakPolarHBondContact CA-O 3.18Å; F100-L109 PolarHBondContact N-O 3.04Å; F100-L109 PolarHBondContact O-N 3.02Å; L109-I117 HydrophobicContact CD1-CG2 3.41Å; L109-I117 VanDerWaalsContact CD1-CG2 3.41Å; L109-I117 HydrophobicContact CG-CG2 4.05Å; L109-R118 CarbonylContact C-O 3.57Å; L109-R118 WeakPolarHBondContact CA-O 3.41Å; L109-V119 HydrophobicContact CD1-CG2 3.87Å; L109-A141 HydrophobicContact CD2-CB 3.76Å; L109-A141 HydrophobicContact CG-CB 4.21Å; L109-F143 HydrophobicContact CB-CD2 4.1Å; L109-F143 HydrophobicContact CB-CE1 4.42Å; L109-F143 HydrophobicContact CB-CE2 3.44Å; L109-F143 VanDerWaalsContact CB-CE2 3.44Å; L109-F143 HydrophobicContact CB-CZ 3.63Å; L109-F143 HydrophobicContact CD1-CE1 4.4Å; L109-F143 HydrophobicContact CD1-CZ 4.26Å; L109-F143 HydrophobicContact CD2-CD2 4.36Å; L109-F143 HydrophobicContact CD2-CE2 4.4Å; L109-F143 HydrophobicContact CD2-CG 4.46Å; L109-F143 HydrophobicContact CG-CE2 4.44Å; L109-F143 HydrophobicContact CG-CZ 4.38Å; L109-V150 HydrophobicContact CD1-CG1 4.25Å; L109-V150 HydrophobicContact CD1-CG2 4.42Å; L109-V150 HydrophobicContact CD2-CG1 3.8Å; L109-V150 HydrophobicContact CD2-CG2 4.46Å
110	S	96.9	Very high	94.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	138.7	170.8	58.5	0	0	0	0	111.6	I75 H92 T98 I117 R118 W120	I75-S110 WeakPolarHBondContact CD1-OG 3.36Å; H92-S110 PolarHBondContact CD2-OG 3.08Å; H92-S110 PolarHBondContact NE2-OG 2.96Å; T98-S110 WeakPolarHBondContact O-CA 3.4Å; S110-I117 CarbonylContact O-C 3.58Å; S110-I117 VanDerWaalsContact O-CA 3.31Å; S110-I117 WeakPolarHBondContact O-CA 3.32Å; S110-I117 WeakPolarHBondContact O-CG2 3.3Å; S110-R118 PolarHBondContact N-O 3.45Å; S110-R118 PolarHBondContact O-N 3.2Å; S110-W120 PolarHBondContact OG-NE1 3.49Å
111	A	96.6	Very high	94	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.6	173.8	0	0	0	0	0	110.3	R97 T98 I117 V138 A141	R97-A111 PolarHBondContact N-O 2.95Å; T98-A111 PolarHBondContact O-N 2.98Å; T98-A111 WeakPolarHBondContact OG1-CB 3.41Å; A111-I117 HydrophobicContact CB-CG1 4.4Å; A111-V138 HydrophobicContact CB-CB 4.13Å; A111-V138 HydrophobicContact CB-CG1 3.82Å; A111-A141 HydrophobicContact CB-CB 3.88Å
112	S	96.8	Very high	93.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.9	-172.7	175.2	0	0	0	0	113	H92 D94 Y95 D114 Q115 T116 V138	H92-S112 WeakPolarHBondContact ND1-CB 3.42Å; D94-S112 PolarHBondContact O-OG 3.12Å; Y95-S112 CarbonylContact O-C 3.56Å; Y95-S112 WeakPolarHBondContact O-CA 3.45Å; Y95-S112 WeakPolarHBondContact O-CB 3.49Å; Y95-S112 PolarHBondContact O-OG 3.39Å; S112-D114 WeakPolarHBondContact CB-OD1 3.37Å; S112-D114 PolarHBondContact O-N 3.41Å; S112-D114 PolarHBondContact OG-N 2.99Å; S112-D114 VanDerWaalsContact OG-N 3.15Å; S112-Q115 PolarHBondContact O-N 3.3Å; S112-T116 PolarHBondContact N-O 3.3Å; S112-V138 PolarHBondContact O-N 3.05Å; S112-V138 VanDerWaalsContact O-N 3.14Å
113	D	96.3	Very high	93.7	Very high	6 Å²	6	28.5 Å²	28.5	3%	0.032	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.7	168.2	-74.6	-0.8	0	0	0	112.6	D94 Y95 R97 Q115 Y137	D94-D113 HydrophobicContact CB-CB 3.86Å; Y95-D113 PolarHBondContact O-N 2.99Å; R97-D113 IonicContact CZ-OD1 2.61Å; R97-D113 VanDerWaalsContact CZ-OD1 3.28Å; R97-D113 IonicContact CZ-OD2 3.75Å; R97-D113 IonicContact NE-OD1 2.67Å; R97-D113 PolarHBondContact NE-OD1 3.32Å; R97-D113 IonicContact NE-OD2 3.33Å; R97-D113 PolarHBondContact NE-OD2 3.41Å; R97-D113 IonicContact NH1-OD2 3.17Å; R97-D113 VanDerWaalsContact NH2-CG 3.32Å; R97-D113 IonicContact NH2-OD1 3.28Å; R97-D113 PolarHBondContact NH2-OD1 3.12Å; R97-D113 IonicContact NH2-OD2 3.89Å; R97-D113 PolarHBondContact NH2-OD2 2.91Å; D113-Q115 PolarHBondContact O-N 2.66Å; D113-Y137 HydrophobicContact CB-CD1 3.72Å; D113-Y137 HydrophobicContact CB-CE1 4.05Å; D113-Y137 HydrophobicContact CB-CG 4.01Å; D113-Y137 WeakPolarHBondContact O-CD1 3.46Å; D113-Y137 WeakPolarHBondContact OD1-CB 3.37Å
114	D	94.5	Very high	93.7	Very high	27 Å²	27	29.5 Å²	29.5	14%	0.144	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	9.4	172.1	75.2	8.4	0	0	0	114.1	H92 L93 D94 S112 T116	H92-D114 WeakPolarHBondContact CA-OD2 3.41Å; H92-D114 IonicContact CE1-OD1 3.38Å; H92-D114 IonicContact CE1-OD2 2.8Å; H92-D114 IonicContact CG-OD2 3.87Å; H92-D114 IonicContact ND1-OD1 2.88Å; H92-D114 PolarHBondContact ND1-OD1 3.34Å; H92-D114 IonicContact ND1-OD2 3.58Å; H92-D114 PolarHBondContact ND1-OD2 2.67Å; L93-D114 HydrophobicContact CB-CB 4.12Å; L93-D114 PolarHBondContact N-OD2 3.02Å; L93-D114 VanDerWaalsContact N-OD2 3.1Å; D94-D114 HydrophobicContact CB-CB 4.11Å; S112-D114 WeakPolarHBondContact CB-OD1 3.37Å; S112-D114 PolarHBondContact O-N 3.41Å; S112-D114 PolarHBondContact OG-N 2.99Å; S112-D114 VanDerWaalsContact OG-N 3.15Å; D114-T116 VanDerWaalsContact CG-OG1 3.29Å; D114-T116 PolarHBondContact O-N 3.11Å; D114-T116 WeakPolarHBondContact OD1-CA 3.49Å; D114-T116 WeakPolarHBondContact OD1-CB 3.5Å; D114-T116 PolarHBondContact OD1-N 3.47Å; D114-T116 PolarHBondContact OD1-OG1 3.21Å; D114-T116 PolarHBondContact OD2-OG1 3.34Å
115	Q	94.3	Very high	93.9	Very high	88 Å²	88	30.6 Å²	30.6	41%	0.411	14%	0.144	S	C	.	.	S	Bend	trans	69.1	5.5	178	-47.5	171	8.4	0	0	113.7	S112 D113	S112-Q115 PolarHBondContact O-N 3.3Å; D113-Q115 PolarHBondContact O-N 2.66Å
116	T	94.1	Very high	93.8	Very high	20 Å²	20	32.3 Å²	32.3	12%	0.123	16%	0.159	C	C	.	.			trans	-109.5	152.5	180	75.9	0	0	0	0	112.2	S112 D114 V130 T132	S112-T116 PolarHBondContact N-O 3.3Å; D114-T116 VanDerWaalsContact CG-OG1 3.29Å; D114-T116 PolarHBondContact O-N 3.11Å; D114-T116 WeakPolarHBondContact OD1-CA 3.49Å; D114-T116 WeakPolarHBondContact OD1-CB 3.5Å; D114-T116 PolarHBondContact OD1-N 3.47Å; D114-T116 PolarHBondContact OD1-OG1 3.21Å; D114-T116 PolarHBondContact OD2-OG1 3.34Å; T116-V130 HydrophobicContact CG2-CG1 4.2Å; T116-T132 HydrophobicContact CG2-CG2 4.13Å
117	I	95.6	Very high	93.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134.6	165.5	-53.3	150.6	0	0	0	106.7	L109 S110 A111 L131 V138 A141 W162	L109-I117 HydrophobicContact CD1-CG2 3.41Å; L109-I117 VanDerWaalsContact CD1-CG2 3.41Å; L109-I117 HydrophobicContact CG-CG2 4.05Å; S110-I117 CarbonylContact O-C 3.58Å; S110-I117 VanDerWaalsContact O-CA 3.31Å; S110-I117 WeakPolarHBondContact O-CA 3.32Å; S110-I117 WeakPolarHBondContact O-CG2 3.3Å; A111-I117 HydrophobicContact CB-CG1 4.4Å; I117-L131 HydrophobicContact CB-CB 4.05Å; I117-L131 HydrophobicContact CB-CD1 3.91Å; I117-L131 HydrophobicContact CG2-CD1 3.82Å; I117-L131 PolarHBondContact N-O 3.31Å; I117-L131 VanDerWaalsContact N-O 3.15Å; I117-L131 PolarHBondContact O-N 3.41Å; I117-V138 HydrophobicContact CD1-CG1 4.03Å; I117-V138 HydrophobicContact CG1-CB 4.33Å; I117-V138 HydrophobicContact CG1-CG1 3.75Å; I117-V138 HydrophobicContact CG1-CG2 4.27Å; I117-A141 HydrophobicContact CD1-CB 4.31Å; I117-A141 HydrophobicContact CG1-CB 4.25Å; I117-A141 HydrophobicContact CG2-CB 3.87Å; I117-W162 HydrophobicContact CD1-CZ2 4.39Å
118	R	94.8	Very high	93.4	Very high	42 Å²	42	34.8 Å²	34.8	16%	0.158	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.6	-177.8	-65.7	-175.5	-178.1	-148.5	11.4	111.4	G91 L109 S110 W120 C129 V130	G91-R118 PolarHBondContact O-NH1 2.85Å; G91-R118 PolarHBondContact O-NH2 3.11Å; L109-R118 CarbonylContact C-O 3.57Å; L109-R118 WeakPolarHBondContact CA-O 3.41Å; S110-R118 PolarHBondContact N-O 3.45Å; S110-R118 PolarHBondContact O-N 3.2Å; R118-W120 HydrophobicContact CB-CZ2 4.05Å; R118-W120 HydrophobicContact CG-CZ2 4.46Å; R118-C129 WeakPolarHBondContact CA-O 3.35Å; R118-V130 HydrophobicContact CG-CB 4.49Å; R118-V130 HydrophobicContact CG-CG1 4.13Å; R118-V130 HydrophobicContact CG-CG2 4.16Å
119	V	94.2	Very high	93	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.5	171.4	-174.1	0	0	0	0	108.4	W107 I108 L109 V128 C129 L167	W107-V119 HydrophobicContact CB-CG1 3.89Å; W107-V119 HydrophobicContact CD2-CG1 4.13Å; W107-V119 HydrophobicContact CE3-CG1 4.46Å; W107-V119 HydrophobicContact CG-CG1 3.9Å; I108-V119 CarbonylContact O-C 3.25Å; I108-V119 WeakPolarHBondContact O-CA 3.39Å; L109-V119 HydrophobicContact CD1-CG2 3.87Å; V119-V128 PolarHBondContact O-N 3.22Å; V119-C129 HydrophobicContact CB-CB 4.2Å; V119-C129 HydrophobicContact CG2-CB 4.47Å; V119-C129 PolarHBondContact N-O 3.47Å; V119-C129 PolarHBondContact O-N 3.1Å; V119-L167 HydrophobicContact CB-CD2 4.23Å; V119-L167 HydrophobicContact CG1-CD2 3.84Å
120	W	93.9	Very high	92.7	Very high	7 Å²	7	38.4 Å²	38.4	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.4	-178.3	-51.6	83.6	0	0	0	110.2	I75 L89 L90 W107 I108 S110 R118 C127	I75-W120 HydrophobicContact CD1-CD2 4.5Å; I75-W120 HydrophobicContact CD1-CZ2 4.11Å; I75-W120 VanDerWaalsContact CD1-NE1 3.34Å; L89-W120 HydrophobicContact CB-CD2 4.46Å; L89-W120 HydrophobicContact CB-CE3 4.1Å; L89-W120 HydrophobicContact CB-CZ3 4.28Å; L89-W120 HydrophobicContact CD1-CB 3.87Å; L89-W120 HydrophobicContact CD1-CD2 4.24Å; L89-W120 HydrophobicContact CD1-CE3 4.3Å; L89-W120 HydrophobicContact CD1-CG 4.06Å; L90-W120 WeakPolarHBondContact O-CH2 3.35Å; W107-W120 CarbonylContact C-O 3.5Å; W107-W120 WeakPolarHBondContact CA-O 3.43Å; I108-W120 HydrophobicContact CB-CB 4.29Å; I108-W120 PolarHBondContact N-O 3.31Å; I108-W120 PolarHBondContact O-N 2.92Å; S110-W120 PolarHBondContact OG-NE1 3.49Å; R118-W120 HydrophobicContact CB-CZ2 4.05Å; R118-W120 HydrophobicContact CG-CZ2 4.46Å; W120-C127 HydrophobicContact CD2-CB 4.29Å; W120-C127 HydrophobicContact CE3-CB 3.64Å; W120-C127 HydrophobicContact CH2-CB 4.12Å; W120-C127 HydrophobicContact CZ3-CB 3.56Å
121	N	92.2	Very high	92.4	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.9	166.1	178.8	-22.8	0	0	0	108.5	P106 Q123 S124 R125 T126 V128	P106-N121 WeakPolarHBondContact O-CA 3.5Å; N121-Q123 VanDerWaalsContact C-N 3.3Å; N121-Q123 PolarHBondContact O-N 2.96Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.45Å; N121-Q123 PolarHBondContact OD1-N 2.96Å; N121-S124 VanDerWaalsContact CB-OG 3.25Å; N121-S124 WeakPolarHBondContact CB-OG 3.49Å; N121-S124 PolarHBondContact OD1-N 3.01Å; N121-R125 VanDerWaalsContact O-CA 3.27Å; N121-R125 WeakPolarHBondContact O-CA 3.09Å; N121-R125 PolarHBondContact O-N 3.27Å; N121-T126 PolarHBondContact N-O 3.23Å; N121-T126 PolarHBondContact O-N 3.4Å; N121-V128 HydrophobicContact CB-CG2 3.48Å; N121-V128 VanDerWaalsContact CB-CG2 3.48Å
122	W	91.4	Very high	92.1	Very high	24 Å²	24	43.3 Å²	43.3	9%	0.091	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.6	-174.1	67.2	-102.6	0	0	0	113.1	L65 F87 F101 P106 I108	L65-W122 HydrophobicContact CD1-CE3 4.33Å; L65-W122 HydrophobicContact CD1-CH2 4.2Å; L65-W122 HydrophobicContact CD1-CZ3 4.02Å; F87-W122 HydrophobicContact CZ-CB 4.3Å; F87-W122 WeakPolarHBondContact CZ-O 3.33Å; F101-W122 AromaticContact CE1-CD1 3.91Å; F101-W122 HydrophobicContact CE1-CG 4.39Å; P106-W122 HydrophobicContact CB-CZ2 4.18Å; P106-W122 PolarHBondContact O-N 3.5Å; P106-W122 VanDerWaalsContact O-N 3.08Å; I108-W122 HydrophobicContact CD1-CB 3.63Å; I108-W122 HydrophobicContact CD1-CG 4.32Å; I108-W122 HydrophobicContact CG1-CB 4.18Å
123	Q	90.1	Very high	91.6	Very high	117 Å²	117	44.7 Å²	44.7	55%	0.547	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-48.6	174.3	-67.7	178.1	-17.3	0	0	111.2	P106 N121 R125	P106-Q123 HydrophobicContact CB-CG 3.86Å; N121-Q123 VanDerWaalsContact C-N 3.3Å; N121-Q123 PolarHBondContact O-N 2.96Å; N121-Q123 WeakPolarHBondContact OD1-CB 3.45Å; N121-Q123 PolarHBondContact OD1-N 2.96Å; Q123-R125 VanDerWaalsContact C-N 3.32Å
124	S	89.2	Confident	91.4	Very high	60 Å²	60	44.7 Å²	44.7	42%	0.42	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.4	177.1	64	0	0	0	0	113.4	N121 T126	N121-S124 VanDerWaalsContact CB-OG 3.25Å; N121-S124 WeakPolarHBondContact CB-OG 3.49Å; N121-S124 PolarHBondContact OD1-N 3.01Å; S124-T126 PolarHBondContact O-N 3.35Å; S124-T126 PolarHBondContact OG-OG1 3.14Å
125	R	91.4	Very high	91.3	Very high	160 Å²	160	49.3 Å²	49.3	60%	0.604	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	27.7	-177.4	-47.7	176	-170.9	174.7	2.4	113.5	F87 L89 N121 Q123	F87-R125 HydrophobicContact CD2-CG 4.3Å; F87-R125 HydrophobicContact CE2-CG 4.22Å; F87-R125 HydrophobicContact CZ-CG 4.46Å; L89-R125 HydrophobicContact CD2-CB 4.02Å; N121-R125 VanDerWaalsContact O-CA 3.27Å; N121-R125 WeakPolarHBondContact O-CA 3.09Å; N121-R125 PolarHBondContact O-N 3.27Å; Q123-R125 VanDerWaalsContact C-N 3.32Å
126	T	88.4	Confident	91.4	Very high	74 Å²	74	48.6 Å²	48.6	45%	0.454	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	150.3	-178.7	54.2	0	0	0	0	111.7	N121 S124	N121-T126 PolarHBondContact N-O 3.23Å; N121-T126 PolarHBondContact O-N 3.4Å; S124-T126 PolarHBondContact O-N 3.35Å; S124-T126 PolarHBondContact OG-OG1 3.14Å
127	C	89.9	Confident	91.5	Very high	46 Å²	46	51.9 Å²	51.9	31%	0.311	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.1	167.6	-168.2	0	0	0	0	108.3	W120	W120-C127 HydrophobicContact CD2-CB 4.29Å; W120-C127 HydrophobicContact CE3-CB 3.64Å; W120-C127 HydrophobicContact CH2-CB 4.12Å; W120-C127 HydrophobicContact CZ3-CB 3.56Å
128	V	87.3	Confident	91.6	Very high	36 Å²	36	51.8 Å²	51.8	22%	0.218	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-35.9	-175.2	-160.5	0	0	0	0	111.3	V119 N121 L167	V119-V128 PolarHBondContact O-N 3.22Å; N121-V128 HydrophobicContact CB-CG2 3.48Å; N121-V128 VanDerWaalsContact CB-CG2 3.48Å; V128-L167 HydrophobicContact CB-CD1 4.18Å; V128-L167 HydrophobicContact CG1-CD1 3.48Å; V128-L167 VanDerWaalsContact CG1-CD1 3.48Å; V128-L167 HydrophobicContact CG1-CG 4.36Å
129	C	87.9	Confident	91.6	Very high	11 Å²	11	51.7 Å²	51.7	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.7	-178.2	-173.4	0	0	0	0	110.8	R118 V119 L167	R118-C129 WeakPolarHBondContact CA-O 3.35Å; V119-C129 HydrophobicContact CB-CB 4.2Å; V119-C129 HydrophobicContact CG2-CB 4.47Å; V119-C129 PolarHBondContact N-O 3.47Å; V119-C129 PolarHBondContact O-N 3.1Å; C129-L167 HydrophobicContact CB-CD1 3.93Å; C129-L167 HydrophobicContact CB-CD2 4.17Å
130	V	91.4	Very high	91.7	Very high	64 Å²	64	51.7 Å²	51.7	39%	0.388	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113	172.6	-174	0	0	0	0	107.5	T116 R118 T132	T116-V130 HydrophobicContact CG2-CG1 4.2Å; R118-V130 HydrophobicContact CG-CB 4.49Å; R118-V130 HydrophobicContact CG-CG1 4.13Å; R118-V130 HydrophobicContact CG-CG2 4.16Å; V130-T132 HydrophobicContact CG1-CG2 3.96Å
131	L	90.6	Very high	91.8	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	108.6	177.2	-58.9	159.2	0	0	0	108	I117 W162 A195	I117-L131 HydrophobicContact CB-CB 4.05Å; I117-L131 HydrophobicContact CB-CD1 3.91Å; I117-L131 HydrophobicContact CG2-CD1 3.82Å; I117-L131 PolarHBondContact N-O 3.31Å; I117-L131 VanDerWaalsContact N-O 3.15Å; I117-L131 PolarHBondContact O-N 3.41Å; L131-W162 HydrophobicContact CB-CD2 4.39Å; L131-W162 HydrophobicContact CB-CE3 4.14Å; L131-W162 HydrophobicContact CB-CH2 4.37Å; L131-W162 HydrophobicContact CB-CZ3 4.11Å; L131-W162 HydrophobicContact CD1-CG 4.47Å; L131-W162 HydrophobicContact CD2-CB 4.29Å; L131-W162 HydrophobicContact CD2-CD2 4.04Å; L131-W162 HydrophobicContact CD2-CE3 3.64Å; L131-W162 HydrophobicContact CD2-CG 4.32Å; L131-W162 HydrophobicContact CD2-CZ3 4.27Å; L131-W162 HydrophobicContact CG-CE3 4.43Å; L131-A195 HydrophobicContact CD2-CB 3.22Å
132	T	89.4	Confident	92	Very high	99 Å²	99	53 Å²	53	61%	0.607	28%	0.28	S	S	*	.			trans	-108.3	139.7	177	57	0	0	0	0	109.8	T116 V130 W162	T116-T132 HydrophobicContact CG2-CG2 4.13Å; V130-T132 HydrophobicContact CG1-CG2 3.96Å; T132-W162 WeakPolarHBondContact O-CH2 3.44Å
133	G	85.9	Confident	92.2	Very high	30 Å²	30	52.5 Å²	52.5	31%	0.309	28%	0.278	S	S	.	.			trans	157.7	-22.7	174.3	0	0	0	0	0	115.1	R160	G133-R160 PolarHBondContact O-NH1 3.39Å; G133-R160 PolarHBondContact O-NH2 2.89Å
134	H	93.3	Very high	92.3	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.028	25%	0.254	C	S	.	.			trans	-68.4	147	169.5	-83.3	-62.4	0	0	0	110.8	V138 S152 S154 D156 T158	H134-V138 HydrophobicContact CB-CG2 3.87Å; H134-S152 PolarHBondContact NE2-OG 3.06Å; H134-S154 WeakPolarHBondContact ND1-CB 3.29Å; H134-D156 WeakPolarHBondContact CA-OD2 3.1Å; H134-D156 IonicContact CE1-OD1 3.24Å; H134-D156 IonicContact CE1-OD2 3.95Å; H134-D156 IonicContact CG-OD2 3.49Å; H134-D156 IonicContact ND1-OD1 2.64Å; H134-D156 PolarHBondContact ND1-OD1 3.39Å; H134-D156 IonicContact ND1-OD2 3.97Å; H134-D156 PolarHBondContact ND1-OD2 3.38Å; H134-T158 PolarHBondContact CE1-OG1 2.95Å
135	N	92.4	Very high	92.3	Very high	123 Å²	123	47 Å²	47	66%	0.658	25%	0.251	S	S	*	.	S	Bend	trans	-102.7	2.8	-176.6	-66.3	-28.7	0	0	0	113.1	D156	N135-D156 HydrophobicContact CB-CB 4.26Å; N135-D156 PolarHBondContact N-OD2 2.89Å; N135-D156 VanDerWaalsContact N-OD2 3.11Å
136	H	95.4	Very high	92	Very high	74 Å²	74	43.5 Å²	43.5	34%	0.343	25%	0.251	S	S	.	.	S	Bend	trans	-152.7	171.8	178.2	-153.3	-68.5	0	0	0	110	V138 S154 L155 D156	H136-V138 PolarHBondContact O-N 3.03Å; H136-S154 PolarHBondContact O-OG 3.44Å; H136-L155 HydrophobicContact CB-CB 4.18Å; H136-L155 WeakPolarHBondContact ND1-CB 3.43Å; H136-D156 HydrophobicContact CB-CB 3.95Å
137	Y	96.4	Very high	92.1	Very high	88 Å²	88	44.3 Å²	44.3	35%	0.345	25%	0.25	S	C	.	.			trans	-36.5	123.3	174.8	-56.2	-14.3	0	0	0	113.1	D113 M139 S154 L155	D113-Y137 HydrophobicContact CB-CD1 3.72Å; D113-Y137 HydrophobicContact CB-CE1 4.05Å; D113-Y137 HydrophobicContact CB-CG 4.01Å; D113-Y137 WeakPolarHBondContact O-CD1 3.46Å; D113-Y137 WeakPolarHBondContact OD1-CB 3.37Å; Y137-M139 PolarHBondContact O-N 3.48Å; Y137-S154 WeakPolarHBondContact O-CA 3.26Å; Y137-S154 PolarHBondContact O-OG 3.21Å; Y137-S154 VanDerWaalsContact O-OG 3.04Å; Y137-L155 HydrophobicContact CD2-CD1 3.84Å; Y137-L155 HydrophobicContact CG-CD1 4.37Å; Y137-L155 PolarHBondContact O-N 3.45Å
138	V	97.1	Very high	92.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	104.8	177.2	-169.6	0	0	0	0	108.4	R97 A111 S112 I117 H134 H136	R97-V138 WeakPolarHBondContact CG-O 3.36Å; A111-V138 HydrophobicContact CB-CB 4.13Å; A111-V138 HydrophobicContact CB-CG1 3.82Å; S112-V138 PolarHBondContact O-N 3.05Å; S112-V138 VanDerWaalsContact O-N 3.14Å; I117-V138 HydrophobicContact CD1-CG1 4.03Å; I117-V138 HydrophobicContact CG1-CB 4.33Å; I117-V138 HydrophobicContact CG1-CG1 3.75Å; I117-V138 HydrophobicContact CG1-CG2 4.27Å; H134-V138 HydrophobicContact CB-CG2 3.87Å; H136-V138 PolarHBondContact O-N 3.03Å
139	M	95.9	Very high	92.3	Very high	40 Å²	40	42.8 Å²	42.8	20%	0.197	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-33.3	-172.4	-63.5	-60.6	-71	0	0	112.5	R97 Y137 A153 L155 N209	R97-M139 VanDerWaalsContact CB-O 3.27Å; R97-M139 WeakPolarHBondContact CB-O 3.28Å; R97-M139 HydrophobicContact CG-SD 4.45Å; Y137-M139 PolarHBondContact O-N 3.48Å; M139-A153 PolarHBondContact N-O 3.46Å; M139-L155 HydrophobicContact CG-CD1 4.45Å; M139-L155 HydrophobicContact CG-CD2 3.79Å; M139-L155 HydrophobicContact CG-CG 3.71Å; M139-L155 HydrophobicContact SD-CD1 4.07Å; M139-L155 HydrophobicContact SD-CD2 4.29Å; M139-L155 HydrophobicContact SD-CG 3.99Å; M139-N209 VanDerWaalsContact CB-O 3.22Å; M139-N209 WeakPolarHBondContact CB-O 3.25Å
140	C	96.4	Very high	92.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	140.2	-178.4	-174.2	0	0	0	0	110.3	T98 S152 A153 W210	T98-C140 HydrophobicContact CG2-CB 4.29Å; C140-S152 CarbonylContact O-C 3.59Å; C140-S152 VanDerWaalsContact O-CA 3.24Å; C140-S152 WeakPolarHBondContact O-CA 3.28Å; C140-A153 HydrophobicContact CB-CB 4.3Å; C140-A153 PolarHBondContact N-O 3.16Å; C140-A153 PolarHBondContact O-N 3.33Å; C140-W210 HydrophobicContact CB-CD2 4.22Å; C140-W210 HydrophobicContact CB-CE3 3.93Å; C140-W210 HydrophobicContact CB-CZ3 4.39Å
141	A	96.5	Very high	92.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.1	162.6	0	0	0	0	0	110	T98 F100 L109 A111 I117 V150 V151	T98-A141 PolarHBondContact OG1-N 2.85Å; T98-A141 VanDerWaalsContact OG1-N 3.13Å; F100-A141 WeakPolarHBondContact CD2-O 3.43Å; F100-A141 VanDerWaalsContact CE2-O 3.25Å; F100-A141 WeakPolarHBondContact CE2-O 3.46Å; L109-A141 HydrophobicContact CD2-CB 3.76Å; L109-A141 HydrophobicContact CG-CB 4.21Å; A111-A141 HydrophobicContact CB-CB 3.88Å; I117-A141 HydrophobicContact CD1-CB 4.31Å; I117-A141 HydrophobicContact CG1-CB 4.25Å; I117-A141 HydrophobicContact CG2-CB 3.87Å; A141-V150 HydrophobicContact CB-CG1 4.36Å; A141-V151 CarbonylContact C-O 3.55Å; A141-V151 WeakPolarHBondContact CA-O 3.11Å
142	Q	95.4	Very high	93.1	Very high	56 Å²	56	39 Å²	39	26%	0.262	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	139.3	-177.9	-162.8	179.9	10.4	0	0	111.3	F100 V150 V151	F100-Q142 HydrophobicContact CD2-CG 4.47Å; F100-Q142 HydrophobicContact CE2-CG 4.47Å; Q142-V150 WeakPolarHBondContact O-CA 3.4Å; Q142-V151 HydrophobicContact CB-CG1 4.11Å; Q142-V151 PolarHBondContact N-O 3.24Å; Q142-V151 PolarHBondContact O-N 3.49Å
143	F	95.1	Very high	93.5	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.057	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146.7	170.2	-69.5	-65.4	0	0	0	111.6	H102 W107 L109 V150 I164	H102-F143 HydrophobicContact CB-CD2 4.02Å; H102-F143 HydrophobicContact CB-CE2 3.65Å; H102-F143 HydrophobicContact CB-CZ 4.04Å; H102-F143 AromaticContact CD2-CD1 3.63Å; H102-F143 AromaticContact CD2-CD2 3.93Å; H102-F143 AromaticContact CD2-CE1 3.77Å; H102-F143 AromaticContact CD2-CG 3.72Å; H102-F143 AromaticContact CD2-CZ 3.95Å; W107-F143 HydrophobicContact CB-CZ 4.36Å; L109-F143 HydrophobicContact CB-CD2 4.1Å; L109-F143 HydrophobicContact CB-CE1 4.42Å; L109-F143 HydrophobicContact CB-CE2 3.44Å; L109-F143 VanDerWaalsContact CB-CE2 3.44Å; L109-F143 HydrophobicContact CB-CZ 3.63Å; L109-F143 HydrophobicContact CD1-CE1 4.4Å; L109-F143 HydrophobicContact CD1-CZ 4.26Å; L109-F143 HydrophobicContact CD2-CD2 4.36Å; L109-F143 HydrophobicContact CD2-CE2 4.4Å; L109-F143 HydrophobicContact CD2-CG 4.46Å; L109-F143 HydrophobicContact CG-CE2 4.44Å; L109-F143 HydrophobicContact CG-CZ 4.38Å; F143-V150 HydrophobicContact CD1-CG2 3.56Å; F143-V150 HydrophobicContact CE1-CG2 3.8Å; F143-I164 HydrophobicContact CD1-CD1 3.95Å; F143-I164 HydrophobicContact CE1-CD1 3.75Å
144	H	92.9	Very high	94	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.037	17%	0.17	C	C	.	.			trans	-66.6	144.3	166.8	-170.5	-95.3	0	0	0	110.3	H103 S146 E147 L149 F213	H103-H144 PolarHBondContact CE1-O 3.29Å; H144-S146 VanDerWaalsContact C-N 3.26Å; H144-S146 PolarHBondContact CE1-OG 3.19Å; H144-S146 PolarHBondContact ND1-N 3.08Å; H144-S146 PolarHBondContact ND1-OG 3.13Å; H144-S146 PolarHBondContact O-N 3.01Å; H144-E147 HydrophobicContact CB-CB 4.41Å; H144-E147 WeakPolarHBondContact CB-O 3.47Å; H144-E147 VanDerWaalsContact ND1-CB 3.31Å; H144-E147 WeakPolarHBondContact ND1-CB 3.31Å; H144-E147 PolarHBondContact ND1-N 3.24Å; H144-L149 HydrophobicContact CB-CB 3.9Å; H144-L149 WeakPolarHBondContact CB-O 3.44Å; H144-L149 PolarHBondContact N-O 3.4Å; H144-F213 HydrophobicContact CB-CD2 3.92Å; H144-F213 HydrophobicContact CB-CE2 3.75Å; H144-F213 HydrophobicContact CB-CG 4.5Å; H144-F213 HydrophobicContact CB-CZ 4.23Å; H144-F213 AromaticContact CD2-CD1 3.51Å; H144-F213 AromaticContact CD2-CD2 3.84Å; H144-F213 AromaticContact CD2-CE1 3.75Å; H144-F213 AromaticContact CD2-CG 3.54Å; H144-F213 AromaticContact CD2-CZ 3.99Å
145	P	88.3	Confident	94.1	Very high	55 Å²	55	34.6 Å²	34.6	36%	0.357	18%	0.179	S	C	.	.	S	Bend	trans	-65.1	-23.8	-177.3	-25.1	35.5	0	0	0	115.4	H103	H103-P145 PolarHBondContact NE2-O 2.77Å
146	S	86.8	Confident	94.2	Very high	86 Å²	86	30 Å²	30	60%	0.601	16%	0.155	S	C	*	.	S	Bend	trans	-143.3	-11.7	-171.8	63.2	0	0	0	0	116.2	H144	H144-S146 VanDerWaalsContact C-N 3.26Å; H144-S146 PolarHBondContact CE1-OG 3.19Å; H144-S146 PolarHBondContact ND1-N 3.08Å; H144-S146 PolarHBondContact ND1-OG 3.13Å; H144-S146 PolarHBondContact O-N 3.01Å
147	E	88.8	Confident	94.2	Very high	91 Å²	91	31.2 Å²	31.2	43%	0.425	16%	0.161	S	C	.	.	S	Bend	trans	-118.4	158.4	-175.2	-64.4	179.3	-167.3	0	0	107.4	H144 L149	H144-E147 HydrophobicContact CB-CB 4.41Å; H144-E147 WeakPolarHBondContact CB-O 3.47Å; H144-E147 VanDerWaalsContact ND1-CB 3.31Å; H144-E147 WeakPolarHBondContact ND1-CB 3.31Å; H144-E147 PolarHBondContact ND1-N 3.24Å; E147-L149 HydrophobicContact CB-CD1 4.3Å; E147-L149 HydrophobicContact CB-CG 4.16Å; E147-L149 PolarHBondContact O-N 3.18Å; E147-L149 VanDerWaalsContact OE2-CD1 3.24Å; E147-L149 WeakPolarHBondContact OE2-CD1 3.36Å
148	D	90.1	Very high	94.1	Very high	43 Å²	43	27.5 Å²	27.5	23%	0.23	15%	0.148	C	C	.	.	S	Bend	trans	-79.1	55.4	178.9	-66.7	-33.5	0	0	0	111	I164 R168	D148-I164 VanDerWaalsContact C-CG1 3.43Å; D148-I164 HydrophobicContact CB-CG1 4.14Å; D148-I164 WeakPolarHBondContact O-CG1 3.35Å; D148-I164 PolarHBondContact O-N 3.38Å; D148-R168 WeakPolarHBondContact OD2-CD 3.4Å
149	L	92.8	Very high	94.1	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.7	-178.9	-59.4	177.6	0	0	0	111.8	H144 E147 V161 W162 D163 K198 F213 M234	H144-L149 HydrophobicContact CB-CB 3.9Å; H144-L149 WeakPolarHBondContact CB-O 3.44Å; H144-L149 PolarHBondContact N-O 3.4Å; E147-L149 HydrophobicContact CB-CD1 4.3Å; E147-L149 HydrophobicContact CB-CG 4.16Å; E147-L149 PolarHBondContact O-N 3.18Å; E147-L149 VanDerWaalsContact OE2-CD1 3.24Å; E147-L149 WeakPolarHBondContact OE2-CD1 3.36Å; L149-V161 HydrophobicContact CB-CG1 4.32Å; L149-V161 HydrophobicContact CD1-CG1 4.22Å; L149-V161 HydrophobicContact CD2-CG1 4.33Å; L149-W162 CarbonylContact C-O 3.59Å; L149-W162 VanDerWaalsContact CA-O 3.24Å; L149-W162 WeakPolarHBondContact CA-O 3.15Å; L149-D163 HydrophobicContact CD2-CB 4.21Å; L149-K198 HydrophobicContact CD2-CD 3.99Å; L149-F213 HydrophobicContact CB-CZ 4.31Å; L149-M234 HydrophobicContact CD1-CE 3.61Å
150	V	95.1	Very high	94	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.7	169.7	174.2	0	0	0	0	108.9	L109 A141 Q142 F143 V161 W162 I164	L109-V150 HydrophobicContact CD1-CG1 4.25Å; L109-V150 HydrophobicContact CD1-CG2 4.42Å; L109-V150 HydrophobicContact CD2-CG1 3.8Å; L109-V150 HydrophobicContact CD2-CG2 4.46Å; A141-V150 HydrophobicContact CB-CG1 4.36Å; Q142-V150 WeakPolarHBondContact O-CA 3.4Å; F143-V150 HydrophobicContact CD1-CG2 3.56Å; F143-V150 HydrophobicContact CE1-CG2 3.8Å; V150-V161 CarbonylContact O-C 3.51Å; V150-V161 WeakPolarHBondContact O-CA 3.23Å; V150-W162 HydrophobicContact CB-CB 4.28Å; V150-W162 PolarHBondContact N-O 3.04Å; V150-W162 PolarHBondContact O-N 2.76Å; V150-I164 HydrophobicContact CG2-CD1 3.97Å; V150-I164 HydrophobicContact CG2-CG1 4.44Å; V150-I164 HydrophobicContact CG2-CG2 4.03Å
151	V	95.8	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.9	167.5	65.3	0	0	0	0	109.2	A141 Q142 V159 R160 A211 F213 I220	A141-V151 CarbonylContact C-O 3.55Å; A141-V151 WeakPolarHBondContact CA-O 3.11Å; Q142-V151 HydrophobicContact CB-CG1 4.11Å; Q142-V151 PolarHBondContact N-O 3.24Å; Q142-V151 PolarHBondContact O-N 3.49Å; V151-V159 HydrophobicContact CG2-CG1 3.46Å; V151-V159 VanDerWaalsContact CG2-CG1 3.46Å; V151-R160 CarbonylContact C-O 3.59Å; V151-R160 WeakPolarHBondContact CA-O 3.13Å; V151-A211 HydrophobicContact CG1-CB 4.41Å; V151-A211 HydrophobicContact CG2-CB 3.74Å; V151-F213 HydrophobicContact CB-CD2 4.08Å; V151-F213 HydrophobicContact CB-CE1 4.23Å; V151-F213 HydrophobicContact CB-CE2 3.46Å; V151-F213 VanDerWaalsContact CB-CE2 3.46Å; V151-F213 HydrophobicContact CB-CZ 3.55Å; V151-F213 HydrophobicContact CG1-CD2 3.59Å; V151-F213 HydrophobicContact CG1-CE2 3.47Å; V151-F213 VanDerWaalsContact CG1-CE2 3.47Å; V151-F213 HydrophobicContact CG1-CG 4.29Å; V151-F213 HydrophobicContact CG1-CZ 4.05Å; V151-I220 HydrophobicContact CG2-CD1 4.41Å; V151-I220 HydrophobicContact CG2-CG2 4.13Å
152	S	96.5	Very high	93.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.3	172.9	59.4	0	0	0	0	112.2	H134 C140 V159 R160 W162	H134-S152 PolarHBondContact NE2-OG 3.06Å; C140-S152 CarbonylContact O-C 3.59Å; C140-S152 VanDerWaalsContact O-CA 3.24Å; C140-S152 WeakPolarHBondContact O-CA 3.28Å; S152-V159 CarbonylContact O-C 3.56Å; S152-V159 VanDerWaalsContact O-CA 3.23Å; S152-V159 WeakPolarHBondContact O-CA 3.3Å; S152-V159 WeakPolarHBondContact O-CG1 3.46Å; S152-R160 PolarHBondContact N-O 2.86Å; S152-R160 PolarHBondContact O-N 3.13Å; S152-R160 PolarHBondContact OG-O 3.05Å; S152-W162 PolarHBondContact OG-NE1 2.89Å
153	A	96.6	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.2	174.3	0	0	0	0	0	109.6	M139 C140 V159 V208 A211	M139-A153 PolarHBondContact N-O 3.46Å; C140-A153 HydrophobicContact CB-CB 4.3Å; C140-A153 PolarHBondContact N-O 3.16Å; C140-A153 PolarHBondContact O-N 3.33Å; A153-V159 HydrophobicContact CB-CG2 4.45Å; A153-V208 HydrophobicContact CB-CB 4.04Å; A153-V208 HydrophobicContact CB-CG1 3.74Å; A153-A211 HydrophobicContact CB-CB 3.85Å
154	S	96.9	Very high	93.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157.8	-179.8	173.9	0	0	0	0	111.5	H134 H136 Y137 D156 Q157 T158 V208	H134-S154 WeakPolarHBondContact ND1-CB 3.29Å; H136-S154 PolarHBondContact O-OG 3.44Å; Y137-S154 WeakPolarHBondContact O-CA 3.26Å; Y137-S154 PolarHBondContact O-OG 3.21Å; Y137-S154 VanDerWaalsContact O-OG 3.04Å; S154-D156 VanDerWaalsContact CB-OD1 3.31Å; S154-D156 WeakPolarHBondContact CB-OD1 3.39Å; S154-D156 PolarHBondContact O-N 3.3Å; S154-D156 PolarHBondContact OG-N 2.9Å; S154-D156 VanDerWaalsContact OG-N 3.15Å; S154-D156 PolarHBondContact OG-OD1 2.98Å; S154-Q157 PolarHBondContact O-N 3.4Å; S154-T158 PolarHBondContact N-O 3.48Å; S154-V208 CarbonylContact C-O 3.47Å; S154-V208 PolarHBondContact O-N 3.34Å
155	L	95.8	Very high	93	Very high	42 Å²	42	27.8 Å²	27.8	22%	0.22	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-4.6	169.8	-63.7	-175.7	0	0	0	113.1	H136 Y137 M139 Q157	H136-L155 HydrophobicContact CB-CB 4.18Å; H136-L155 WeakPolarHBondContact ND1-CB 3.43Å; Y137-L155 HydrophobicContact CD2-CD1 3.84Å; Y137-L155 HydrophobicContact CG-CD1 4.37Å; Y137-L155 PolarHBondContact O-N 3.45Å; M139-L155 HydrophobicContact CG-CD1 4.45Å; M139-L155 HydrophobicContact CG-CD2 3.79Å; M139-L155 HydrophobicContact CG-CG 3.71Å; M139-L155 HydrophobicContact SD-CD1 4.07Å; M139-L155 HydrophobicContact SD-CD2 4.29Å; M139-L155 HydrophobicContact SD-CG 3.99Å; L155-Q157 PolarHBondContact O-N 3.49Å; L155-Q157 VanDerWaalsContact O-N 3.11Å
156	D	94.1	Very high	92.7	Very high	28 Å²	28	26.5 Å²	26.5	15%	0.15	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	9.8	169	73.4	7.6	0	0	0	114	H134 N135 H136 S154 T158 R160	H134-D156 WeakPolarHBondContact CA-OD2 3.1Å; H134-D156 IonicContact CE1-OD1 3.24Å; H134-D156 IonicContact CE1-OD2 3.95Å; H134-D156 IonicContact CG-OD2 3.49Å; H134-D156 IonicContact ND1-OD1 2.64Å; H134-D156 PolarHBondContact ND1-OD1 3.39Å; H134-D156 IonicContact ND1-OD2 3.97Å; H134-D156 PolarHBondContact ND1-OD2 3.38Å; N135-D156 HydrophobicContact CB-CB 4.26Å; N135-D156 PolarHBondContact N-OD2 2.89Å; N135-D156 VanDerWaalsContact N-OD2 3.11Å; H136-D156 HydrophobicContact CB-CB 3.95Å; S154-D156 VanDerWaalsContact CB-OD1 3.31Å; S154-D156 WeakPolarHBondContact CB-OD1 3.39Å; S154-D156 PolarHBondContact O-N 3.3Å; S154-D156 PolarHBondContact OG-N 2.9Å; S154-D156 VanDerWaalsContact OG-N 3.15Å; S154-D156 PolarHBondContact OG-OD1 2.98Å; D156-T158 VanDerWaalsContact CG-OG1 3.32Å; D156-T158 PolarHBondContact O-N 3.15Å; D156-T158 WeakPolarHBondContact OD1-CB 3.43Å; D156-T158 PolarHBondContact OD1-N 3.18Å; D156-T158 PolarHBondContact OD1-OG1 3.41Å; D156-T158 PolarHBondContact OD2-OG1 3.48Å; D156-R160 IonicContact OD2-NH2 3.19Å
157	Q	94.9	Very high	92.5	Very high	98 Å²	98	22.4 Å²	22.4	46%	0.458	12%	0.121	S	C	.	.	S	Bend	trans	72.9	2.3	179.1	-46	171.8	10.7	0	0	114.2	S154 L155	S154-Q157 PolarHBondContact O-N 3.4Å; L155-Q157 PolarHBondContact O-N 3.49Å; L155-Q157 VanDerWaalsContact O-N 3.11Å
158	T	94.8	Very high	91.9	Very high	11 Å²	11	22.2 Å²	22.2	7%	0.067	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149	-177.7	76.2	0	0	0	0	112.6	H134 S154 D156 V200 L201 E202	H134-T158 PolarHBondContact CE1-OG1 2.95Å; S154-T158 PolarHBondContact N-O 3.48Å; D156-T158 VanDerWaalsContact CG-OG1 3.32Å; D156-T158 PolarHBondContact O-N 3.15Å; D156-T158 WeakPolarHBondContact OD1-CB 3.43Å; D156-T158 PolarHBondContact OD1-N 3.18Å; D156-T158 PolarHBondContact OD1-OG1 3.41Å; D156-T158 PolarHBondContact OD2-OG1 3.48Å; T158-V200 HydrophobicContact CG2-CG1 4.26Å; T158-L201 WeakPolarHBondContact CA-O 3.31Å; T158-E202 HydrophobicContact CG2-CG 4.03Å
159	V	95.8	Very high	91.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.5	160.8	177.9	0	0	0	0	107.7	V151 S152 A153 L201 V208 A211	V151-V159 HydrophobicContact CG2-CG1 3.46Å; V151-V159 VanDerWaalsContact CG2-CG1 3.46Å; S152-V159 CarbonylContact O-C 3.56Å; S152-V159 VanDerWaalsContact O-CA 3.23Å; S152-V159 WeakPolarHBondContact O-CA 3.3Å; S152-V159 WeakPolarHBondContact O-CG1 3.46Å; A153-V159 HydrophobicContact CB-CG2 4.45Å; V159-L201 HydrophobicContact CB-CB 4.03Å; V159-L201 HydrophobicContact CB-CD1 4.1Å; V159-L201 HydrophobicContact CG1-CD1 4Å; V159-L201 PolarHBondContact N-O 3.44Å; V159-L201 VanDerWaalsContact O-CB 3.28Å; V159-L201 WeakPolarHBondContact O-CB 3.46Å; V159-L201 PolarHBondContact O-N 3.22Å; V159-V208 HydrophobicContact CG2-CB 4.3Å; V159-V208 HydrophobicContact CG2-CG1 3.77Å; V159-V208 HydrophobicContact CG2-CG2 4.22Å; V159-A211 HydrophobicContact CG1-CB 3.89Å; V159-A211 HydrophobicContact CG2-CB 4.36Å
160	R	95.3	Very high	90.3	Very high	31 Å²	31	32 Å²	32	12%	0.117	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.4	179.8	-65.5	-174.2	-174.1	-165.8	10.9	111.2	G133 V151 S152 D156 W162 H199 V200	G133-R160 PolarHBondContact O-NH1 3.39Å; G133-R160 PolarHBondContact O-NH2 2.89Å; V151-R160 CarbonylContact C-O 3.59Å; V151-R160 WeakPolarHBondContact CA-O 3.13Å; S152-R160 PolarHBondContact N-O 2.86Å; S152-R160 PolarHBondContact O-N 3.13Å; S152-R160 PolarHBondContact OG-O 3.05Å; D156-R160 IonicContact OD2-NH2 3.19Å; R160-W162 HydrophobicContact CB-CZ2 4.27Å; R160-H199 WeakPolarHBondContact CA-O 3.43Å; R160-V200 HydrophobicContact CG-CG1 4.32Å; R160-V200 HydrophobicContact CG-CG2 4.31Å
161	V	94.5	Very high	88.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.7	171.5	-177.3	0	0	0	0	107.8	L149 V150 K198 H199 F213 I220	L149-V161 HydrophobicContact CB-CG1 4.32Å; L149-V161 HydrophobicContact CD1-CG1 4.22Å; L149-V161 HydrophobicContact CD2-CG1 4.33Å; V150-V161 CarbonylContact O-C 3.51Å; V150-V161 WeakPolarHBondContact O-CA 3.23Å; V161-K198 WeakPolarHBondContact O-CA 3.39Å; V161-K198 WeakPolarHBondContact O-CB 3.48Å; V161-K198 PolarHBondContact O-N 3.49Å; V161-H199 HydrophobicContact CB-CB 4.24Å; V161-H199 HydrophobicContact CG2-CB 4.49Å; V161-H199 PolarHBondContact N-O 2.91Å; V161-H199 PolarHBondContact O-N 2.81Å; V161-F213 HydrophobicContact CG1-CZ 4.39Å; V161-I220 HydrophobicContact CG2-CD1 3.7Å
162	W	93.8	Very high	87.1	Confident	6 Å²	6	40.4 Å²	40.4	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.8	-178.2	-51	79.9	0	0	0	109.7	I117 L131 T132 L149 V150 S152 R160 V196 V197	I117-W162 HydrophobicContact CD1-CZ2 4.39Å; L131-W162 HydrophobicContact CB-CD2 4.39Å; L131-W162 HydrophobicContact CB-CE3 4.14Å; L131-W162 HydrophobicContact CB-CH2 4.37Å; L131-W162 HydrophobicContact CB-CZ3 4.11Å; L131-W162 HydrophobicContact CD1-CG 4.47Å; L131-W162 HydrophobicContact CD2-CB 4.29Å; L131-W162 HydrophobicContact CD2-CD2 4.04Å; L131-W162 HydrophobicContact CD2-CE3 3.64Å; L131-W162 HydrophobicContact CD2-CG 4.32Å; L131-W162 HydrophobicContact CD2-CZ3 4.27Å; L131-W162 HydrophobicContact CG-CE3 4.43Å; T132-W162 WeakPolarHBondContact O-CH2 3.44Å; L149-W162 CarbonylContact C-O 3.59Å; L149-W162 VanDerWaalsContact CA-O 3.24Å; L149-W162 WeakPolarHBondContact CA-O 3.15Å; V150-W162 HydrophobicContact CB-CB 4.28Å; V150-W162 PolarHBondContact N-O 3.04Å; V150-W162 PolarHBondContact O-N 2.76Å; S152-W162 PolarHBondContact OG-NE1 2.89Å; R160-W162 HydrophobicContact CB-CZ2 4.27Å; W162-V196 CarbonylContact C-O 3.53Å; W162-V196 WeakPolarHBondContact CA-O 3.06Å; W162-V197 HydrophobicContact CD2-CG2 4.06Å; W162-V197 HydrophobicContact CE3-CB 4.34Å; W162-V197 HydrophobicContact CE3-CG2 3.44Å; W162-V197 VanDerWaalsContact CE3-CG2 3.44Å; W162-V197 HydrophobicContact CH2-CG2 3.46Å; W162-V197 VanDerWaalsContact CH2-CG2 3.46Å; W162-V197 HydrophobicContact CZ2-CG2 4.04Å; W162-V197 HydrophobicContact CZ3-CB 4.41Å; W162-V197 HydrophobicContact CZ3-CG2 3.14Å
163	D	90.8	Very high	84.9	Confident	49 Å²	49	43.2 Å²	43.2	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.8	170.1	-170.4	-26.2	0	0	0	109.3	L149 S165 A195 V196 K198	L149-D163 HydrophobicContact CD2-CB 4.21Å; D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 3.22Å; D163-S165 PolarHBondContact OD1-OG 3.07Å; D163-A195 VanDerWaalsContact O-CA 3.28Å; D163-A195 WeakPolarHBondContact O-CA 3.48Å; D163-V196 PolarHBondContact N-O 2.99Å; D163-V196 PolarHBondContact O-N 2.97Å; D163-V196 VanDerWaalsContact O-N 3.1Å; D163-K198 HydrophobicContact CB-CB 4.43Å
164	I	89.8	Confident	82.5	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.26	C	S	.	.			trans	-112.3	13.6	-179.2	60.3	162.8	0	0	0	112.4	W107 F143 D148 V150 G166 L167 R168 A195	W107-I164 HydrophobicContact CZ3-CD1 4.1Å; F143-I164 HydrophobicContact CD1-CD1 3.95Å; F143-I164 HydrophobicContact CE1-CD1 3.75Å; D148-I164 VanDerWaalsContact C-CG1 3.43Å; D148-I164 HydrophobicContact CB-CG1 4.14Å; D148-I164 WeakPolarHBondContact O-CG1 3.35Å; D148-I164 PolarHBondContact O-N 3.38Å; V150-I164 HydrophobicContact CG2-CD1 3.97Å; V150-I164 HydrophobicContact CG2-CG1 4.44Å; V150-I164 HydrophobicContact CG2-CG2 4.03Å; I164-G166 PolarHBondContact O-N 3.32Å; I164-L167 VanDerWaalsContact O-CB 3.31Å; I164-L167 WeakPolarHBondContact O-CB 3.47Å; I164-L167 PolarHBondContact O-N 3.06Å; I164-L167 VanDerWaalsContact O-N 3.1Å; I164-R168 PolarHBondContact O-N 3.36Å; I164-A195 HydrophobicContact CG2-CB 4.05Å
165	S	86.1	Confident	80.1	Confident	35 Å²	35	53 Å²	53	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-29.1	179.2	62.3	0	0	0	0	113	D163 L167 R168 K169	D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 3.22Å; D163-S165 PolarHBondContact OD1-OG 3.07Å; S165-L167 VanDerWaalsContact C-N 3.35Å; S165-L167 PolarHBondContact O-N 3.35Å; S165-R168 PolarHBondContact O-N 3.31Å; S165-K169 WeakPolarHBondContact O-CG 3.47Å; S165-K169 PolarHBondContact O-N 3.27Å; S165-K169 VanDerWaalsContact O-N 3.1Å
166	G	82.2	Confident	77.4	Confident	28 Å²	28	54.7 Å²	54.7	29%	0.289	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-42.8	173	0	0	0	0	0	112.8	I164 R168 K169 K170	I164-G166 PolarHBondContact O-N 3.32Å; G166-R168 VanDerWaalsContact C-N 3.34Å; G166-R168 PolarHBondContact O-N 3.07Å; G166-K169 PolarHBondContact O-N 3.43Å; G166-K170 PolarHBondContact O-N 3.1Å; G166-K170 VanDerWaalsContact O-N 3.16Å
167	L	81.8	Confident	75.3	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-63.2	-39	177.2	-164.3	67.9	0	0	0	112.5	W107 V119 V128 C129 I164 S165 N171 D194	W107-L167 HydrophobicContact CD2-CD2 4.31Å; W107-L167 HydrophobicContact CE3-CD2 4.38Å; W107-L167 HydrophobicContact CH2-CB 4.04Å; W107-L167 HydrophobicContact CH2-CD2 3.79Å; W107-L167 HydrophobicContact CH2-CG 3.87Å; W107-L167 HydrophobicContact CZ2-CB 4.28Å; W107-L167 HydrophobicContact CZ2-CD2 3.68Å; W107-L167 HydrophobicContact CZ2-CG 3.65Å; W107-L167 HydrophobicContact CZ3-CD2 4.15Å; V119-L167 HydrophobicContact CB-CD2 4.23Å; V119-L167 HydrophobicContact CG1-CD2 3.84Å; V128-L167 HydrophobicContact CB-CD1 4.18Å; V128-L167 HydrophobicContact CG1-CD1 3.48Å; V128-L167 VanDerWaalsContact CG1-CD1 3.48Å; V128-L167 HydrophobicContact CG1-CG 4.36Å; C129-L167 HydrophobicContact CB-CD1 3.93Å; C129-L167 HydrophobicContact CB-CD2 4.17Å; I164-L167 VanDerWaalsContact O-CB 3.31Å; I164-L167 WeakPolarHBondContact O-CB 3.47Å; I164-L167 PolarHBondContact O-N 3.06Å; I164-L167 VanDerWaalsContact O-N 3.1Å; S165-L167 VanDerWaalsContact C-N 3.35Å; S165-L167 PolarHBondContact O-N 3.35Å; L167-N171 PolarHBondContact O-N 3.36Å; L167-D194 HydrophobicContact CD1-CB 4.36Å; L167-D194 PolarHBondContact N-O 3.27Å
168	R	77.5	Confident	73	Confident	86 Å²	86	64.4 Å²	64.4	33%	0.325	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-46.8	177.4	-177.6	-175	177.2	-94.9	-2.5	111.3	Y105 W107 D148 I164 S165 G166 K170 N171 L172	Y105-R168 HydrophobicContact CE1-CG 4.34Å; Y105-R168 HydrophobicContact CE2-CG 4.23Å; Y105-R168 PolarHBondContact OH-NE 3.14Å; W107-R168 HydrophobicContact CH2-CB 4.17Å; D148-R168 WeakPolarHBondContact OD2-CD 3.4Å; I164-R168 PolarHBondContact O-N 3.36Å; S165-R168 PolarHBondContact O-N 3.31Å; G166-R168 VanDerWaalsContact C-N 3.34Å; G166-R168 PolarHBondContact O-N 3.07Å; R168-K170 VanDerWaalsContact C-N 3.3Å; R168-K170 PolarHBondContact O-N 3.06Å; R168-N171 PolarHBondContact O-N 3.18Å; R168-L172 HydrophobicContact CG-CD1 3.81Å; R168-L172 VanDerWaalsContact CZ-CD1 3.46Å; R168-L172 PolarHBondContact O-N 2.95Å; R168-L172 VanDerWaalsContact O-N 3.14Å
169	K	77.2	Confident	70.5	Confident	140 Å²	140	69 Å²	69	61%	0.609	40%	0.404	S	S	*	.	H	α-helix	trans	-57.6	-43.9	178.5	-71	174	-177	175.3	0	111.3	S165 G166 N171 L172 S173	S165-K169 WeakPolarHBondContact O-CG 3.47Å; S165-K169 PolarHBondContact O-N 3.27Å; S165-K169 VanDerWaalsContact O-N 3.1Å; G166-K169 PolarHBondContact O-N 3.43Å; K169-N171 PolarHBondContact O-N 3.44Å; K169-L172 PolarHBondContact O-N 3.06Å; K169-S173 PolarHBondContact O-N 3.25Å; K169-S173 PolarHBondContact O-OG 2.9Å
170	K	71.2	Confident	68	Low	117 Å²	117	76.1 Å²	76.1	51%	0.509	44%	0.442	S	S	.	.	H	α-helix	trans	-62.5	-36.2	177	-165.5	175.9	-172.9	170.2	0	113.6	G166 R168 D194	G166-K170 PolarHBondContact O-N 3.1Å; G166-K170 VanDerWaalsContact O-N 3.16Å; R168-K170 VanDerWaalsContact C-N 3.3Å; R168-K170 PolarHBondContact O-N 3.06Å; K170-D194 WeakPolarHBondContact CD-OD1 3.5Å; K170-D194 IonicContact NZ-OD1 2.79Å; K170-D194 PolarHBondContact NZ-OD1 3.28Å; K170-D194 IonicContact NZ-OD2 3.02Å; K170-D194 PolarHBondContact NZ-OD2 3.27Å
171	N	65.8	Low	65.4	Low	71 Å²	71	81.4 Å²	81.4	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-78.3	-21.9	178.2	-87	-13.4	0	0	0	114.5	W107 L167 R168 K169	W107-N171 WeakPolarHBondContact CZ2-ND2 3.4Å; W107-N171 PolarHBondContact NE1-ND2 3.18Å; L167-N171 PolarHBondContact O-N 3.36Å; R168-N171 PolarHBondContact O-N 3.18Å; K169-N171 PolarHBondContact O-N 3.44Å
172	L	58.3	Low	62.7	Low	104 Å²	104	93.1 Å²	93.1	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-87	-17.4	-179.9	-74.8	163.5	0	0	0	113.7	R168 K169	R168-L172 HydrophobicContact CG-CD1 3.81Å; R168-L172 VanDerWaalsContact CZ-CD1 3.46Å; R168-L172 PolarHBondContact O-N 2.95Å; R168-L172 VanDerWaalsContact O-N 3.14Å; K169-L172 PolarHBondContact O-N 3.06Å
173	S	49.8	Very low	60.3	Low	59 Å²	59	95.6 Å²	95.6	41%	0.413	55%	0.55	S	S	.	.			trans	-138	82.9	-178.7	55	0	0	0	0	112.4	K169 G175	K169-S173 PolarHBondContact O-N 3.25Å; K169-S173 PolarHBondContact O-OG 2.9Å; S173-G175 PolarHBondContact O-N 3.4Å
174	P	46	Very low	57.8	Low	129 Å²	129	101.4 Å²	101.4	84%	0.838	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	57.4	173.8	32.2	-32.9	0	0	0	111.4
175	G	47.3	Very low	55.2	Low	78 Å²	78	108.6 Å²	108.6	80%	0.804	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	173.1	1.3	179.9	0	0	0	0	0	119.1	S173	S173-G175 PolarHBondContact O-N 3.4Å
176	A	38.7	Very low	52.7	Low	76 Å²	76	109.9 Å²	109.9	63%	0.628	64%	0.642	S	S	*	*			trans	-120.6	80.2	178.9	0	0	0	0	0	110.7
177	V	49	Very low	50.7	Low	145 Å²	145	115.2 Å²	115.2	88%	0.879	67%	0.668	S	S	*	*			trans	-123.6	72.4	158.9	-162.9	0	0	0	0	107.1
178	E	47.3	Very low	48.3	Very low	185 Å²	185	121.9 Å²	121.9	86%	0.864	70%	0.704	S	S	*	*			trans	-157.9	136.9	156.9	-114.1	176	-163.9	0	0	109.3
179	S	43	Very low	46.4	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	73%	0.727	S	S	*	*	S	Bend	trans	69.9	92.2	177.7	65.5	0	0	0	0	118.2
180	D	43.5	Very low	44.6	Very low	149 Å²	149	127 Å²	127	80%	0.797	74%	0.735	S	S	*	*				155.3	93	106.2	-94.1	-14.8	0	0	0	111.6
181	V	40.3	Very low	43.2	Very low	142 Å²	142	124.6 Å²	124.6	86%	0.861	74%	0.744	S	S	*	*			trans	-139.5	85.9	149.6	-172.6	0	0	0	0	107.9
182	R	38.4	Very low	42.4	Very low	246 Å²	246	127.6 Å²	127.6	93%	0.928	77%	0.765	S	S	*	*			trans	-76.3	116.5	159.7	-85.2	-172.9	-179.4	-175.8	1.8	108.3
183	G	42	Very low	42.4	Very low	59 Å²	59	127.5 Å²	127.5	61%	0.608	77%	0.769	S	S	*	*			trans	121.3	79.5	158.3	0	0	0	0	0	114.4
184	I	38	Very low	43.4	Very low	171 Å²	171	126.8 Å²	126.8	88%	0.877	76%	0.761	S	S	*	*			trans	-164.7	115.7	131.9	-85.3	140.5	0	0	0	105.4	G186	I184-G186 PolarHBondContact O-N 2.91Å
185	T	35.8	Very low	45	Very low	152 Å²	152	121.7 Å²	121.7	93%	0.933	73%	0.729	S	S	*	*			trans	-78.8	109.1	176.6	44.3	0	0	0	0	109.8
186	G	34.3	Very low	46.9	Very low	62 Å²	62	121.6 Å²	121.6	64%	0.639	71%	0.713	S	S	*	*			trans	179.7	110.3	170.3	0	0	0	0	0	107.9	I184 D188	I184-G186 PolarHBondContact O-N 2.91Å; G186-D188 PolarHBondContact O-N 3.25Å
187	V	38.8	Very low	49.3	Very low	139 Å²	139	120.2 Å²	120.2	84%	0.842	70%	0.697	S	S	*	*			trans	-62.8	114	-177.4	179.3	0	0	0	0	108.2	L189	V187-L189 HydrophobicContact CG1-CD1 4.43Å
188	D	32.7	Very low	51.2	Low	141 Å²	141	116.9 Å²	116.9	75%	0.754	67%	0.67	S	S	*	*			trans	-117.7	108.4	168.9	-142.1	-6	0	0	0	109.6	G186 F190	G186-D188 PolarHBondContact O-N 3.25Å; D188-F190 PolarHBondContact O-N 3.1Å
189	L	36.3	Very low	53.3	Low	155 Å²	155	109 Å²	109	81%	0.812	63%	0.634	S	S	*	*			trans	-86.1	24.6	-171.4	-147.4	81.1	0	0	0	111.8	V187	V187-L189 HydrophobicContact CG1-CD1 4.43Å
190	F	40.3	Very low	55.7	Low	178 Å²	178	107.1 Å²	107.1	78%	0.781	62%	0.617	S	S	*	*	S	Bend	trans	-130.6	124.1	176.5	-75.3	-82.3	0	0	0	109.5	D188	D188-F190 PolarHBondContact O-N 3.1Å
191	G	41.5	Very low	58	Low	67 Å²	67	100.3 Å²	100.3	69%	0.691	58%	0.581	S	S	*	*			trans	-58.1	152.9	-173.8	0	0	0	0	0	114	T193	G191-T193 PolarHBondContact O-N 3.19Å; G191-T193 VanDerWaalsContact O-N 3.08Å
192	T	48.3	Very low	60.4	Low	134 Å²	134	100.6 Å²	100.6	82%	0.822	57%	0.573	S	S	*	*			trans	-35.4	112.1	172.3	42.6	0	0	0	0	111.9	D194	T192-D194 PolarHBondContact O-N 3.45Å
193	T	59.7	Low	62.7	Low	102 Å²	102	90.4 Å²	90.4	63%	0.626	54%	0.544	S	S	*	.			trans	-68.8	115.9	-179.6	41.3	0	0	0	0	109.6	G191 A195 V196	G191-T193 PolarHBondContact O-N 3.19Å; G191-T193 VanDerWaalsContact O-N 3.08Å; T193-A195 PolarHBondContact O-N 3.05Å; T193-V196 VanDerWaalsContact OG1-CG2 3.25Å; T193-V196 WeakPolarHBondContact OG1-CG2 3.45Å
194	D	69.9	Low	65.1	Low	45 Å²	45	88 Å²	88	24%	0.241	52%	0.517	C	S	.	.	S	Bend	trans	-61.1	-17.4	-177.9	-74	-32.7	0	0	0	112.8	L167 K170 T192	L167-D194 HydrophobicContact CD1-CB 4.36Å; L167-D194 PolarHBondContact N-O 3.27Å; K170-D194 WeakPolarHBondContact CD-OD1 3.5Å; K170-D194 IonicContact NZ-OD1 2.79Å; K170-D194 PolarHBondContact NZ-OD1 3.28Å; K170-D194 IonicContact NZ-OD2 3.02Å; K170-D194 PolarHBondContact NZ-OD2 3.27Å; T192-D194 PolarHBondContact O-N 3.45Å
195	A	80.7	Confident	67.7	Low	21 Å²	21	85.5 Å²	85.5	17%	0.174	51%	0.505	C	S	.	.	S	Bend	trans	-155.6	148.4	171.1	0	0	0	0	0	112.3	L131 D163 I164 T193	L131-A195 HydrophobicContact CD2-CB 3.22Å; D163-A195 VanDerWaalsContact O-CA 3.28Å; D163-A195 WeakPolarHBondContact O-CA 3.48Å; I164-A195 HydrophobicContact CG2-CB 4.05Å; T193-A195 PolarHBondContact O-N 3.05Å
196	V	87.2	Confident	70.5	Confident	76 Å²	76	85 Å²	85	46%	0.461	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.5	-174	-178.3	0	0	0	0	111.3	W162 D163 T193 K198	W162-V196 CarbonylContact C-O 3.53Å; W162-V196 WeakPolarHBondContact CA-O 3.06Å; D163-V196 PolarHBondContact N-O 2.99Å; D163-V196 PolarHBondContact O-N 2.97Å; D163-V196 VanDerWaalsContact O-N 3.1Å; T193-V196 VanDerWaalsContact OG1-CG2 3.25Å; T193-V196 WeakPolarHBondContact OG1-CG2 3.45Å; V196-K198 PolarHBondContact O-N 3.38Å
197	V	88.4	Confident	73.3	Confident	47 Å²	47	82.5 Å²	82.5	29%	0.285	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	113.8	170.5	-177.2	0	0	0	0	109.1	W162 V200	W162-V197 HydrophobicContact CD2-CG2 4.06Å; W162-V197 HydrophobicContact CE3-CB 4.34Å; W162-V197 HydrophobicContact CE3-CG2 3.44Å; W162-V197 VanDerWaalsContact CE3-CG2 3.44Å; W162-V197 HydrophobicContact CH2-CG2 3.46Å; W162-V197 VanDerWaalsContact CH2-CG2 3.46Å; W162-V197 HydrophobicContact CZ2-CG2 4.04Å; W162-V197 HydrophobicContact CZ3-CB 4.41Å; W162-V197 HydrophobicContact CZ3-CG2 3.14Å; V197-V200 HydrophobicContact CG1-CG2 3.69Å
198	K	89.1	Confident	76	Confident	75 Å²	75	75.9 Å²	75.9	33%	0.326	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-46.8	177.9	-168.6	176.8	179.8	168.9	0	111.9	L149 V161 D163 V196 E236	L149-K198 HydrophobicContact CD2-CD 3.99Å; V161-K198 WeakPolarHBondContact O-CA 3.39Å; V161-K198 WeakPolarHBondContact O-CB 3.48Å; V161-K198 PolarHBondContact O-N 3.49Å; D163-K198 HydrophobicContact CB-CB 4.43Å; V196-K198 PolarHBondContact O-N 3.38Å; K198-E236 WeakPolarHBondContact CE-O 3.17Å
199	H	91.9	Very high	79.1	Confident	21 Å²	21	70.1 Å²	70.1	10%	0.097	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.7	179.8	-56.3	-52	0	0	0	111.6	R160 V161 N235 A239	R160-H199 WeakPolarHBondContact CA-O 3.43Å; V161-H199 HydrophobicContact CB-CB 4.24Å; V161-H199 HydrophobicContact CG2-CB 4.49Å; V161-H199 PolarHBondContact N-O 2.91Å; V161-H199 PolarHBondContact O-N 2.81Å; H199-N235 PolarHBondContact NE2-O 2.99Å; H199-A239 HydrophobicContact CB-CB 4.18Å
200	V	92.4	Very high	81.9	Confident	68 Å²	68	64.2 Å²	64.2	41%	0.412	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123	169.7	-173.7	0	0	0	0	107.7	T158 R160 V197 E202	T158-V200 HydrophobicContact CG2-CG1 4.26Å; R160-V200 HydrophobicContact CG-CG1 4.32Å; R160-V200 HydrophobicContact CG-CG2 4.31Å; V197-V200 HydrophobicContact CG1-CG2 3.69Å; V200-E202 HydrophobicContact CG1-CG 4.07Å
201	L	92.9	Very high	84.6	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.5	-179.1	-62.3	173.9	0	0	0	109	T158 V159 I220 W232 A239	T158-L201 WeakPolarHBondContact CA-O 3.31Å; V159-L201 HydrophobicContact CB-CB 4.03Å; V159-L201 HydrophobicContact CB-CD1 4.1Å; V159-L201 HydrophobicContact CG1-CD1 4Å; V159-L201 PolarHBondContact N-O 3.44Å; V159-L201 VanDerWaalsContact O-CB 3.28Å; V159-L201 WeakPolarHBondContact O-CB 3.46Å; V159-L201 PolarHBondContact O-N 3.22Å; L201-I220 HydrophobicContact CD1-CD1 4.09Å; L201-W232 HydrophobicContact CB-CD2 4.28Å; L201-W232 HydrophobicContact CB-CE3 4.02Å; L201-W232 HydrophobicContact CB-CH2 4.23Å; L201-W232 HydrophobicContact CB-CZ2 4.49Å; L201-W232 HydrophobicContact CB-CZ3 3.99Å; L201-W232 HydrophobicContact CD1-CB 4.08Å; L201-W232 HydrophobicContact CD1-CD2 3.91Å; L201-W232 HydrophobicContact CD1-CE3 4.19Å; L201-W232 HydrophobicContact CD1-CG 3.85Å; L201-W232 HydrophobicContact CD2-CD2 4.25Å; L201-W232 HydrophobicContact CD2-CE3 3.66Å; L201-W232 HydrophobicContact CD2-CZ3 4.17Å; L201-W232 HydrophobicContact CG-CD2 4.39Å; L201-W232 HydrophobicContact CG-CE3 4.18Å; L201-A239 HydrophobicContact CD2-CB 3.41Å; L201-A239 VanDerWaalsContact CD2-CB 3.41Å; L201-A239 HydrophobicContact CG-CB 4.41Å
202	E	89.4	Confident	87.1	Confident	149 Å²	149	52.9 Å²	52.9	70%	0.696	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.7	178.6	-62.2	-179.4	173.8	0	0	108.8	T158 V200	T158-E202 HydrophobicContact CG2-CG 4.03Å; V200-E202 HydrophobicContact CG1-CG 4.07Å
203	G	86.4	Confident	89.3	Confident	31 Å²	31	47.1 Å²	47.1	32%	0.32	25%	0.253	S	S	.	.			trans	166.7	-9.3	-180	0	0	0	0	0	115.4	K230	G203-K230 WeakPolarHBondContact O-CE 3.33Å; G203-K230 PolarHBondContact O-NZ 3.37Å
204	H	93.6	Very high	90.8	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.037	23%	0.226	C	C	.	.			trans	-81.8	143	165.5	-80.1	-68.2	0	0	0	110.7	R206 V208 S222 A224 D226	H204-R206 VanDerWaalsContact C-N 3.34Å; H204-V208 HydrophobicContact CB-CG2 3.96Å; H204-S222 PolarHBondContact NE2-OG 3.07Å; H204-A224 HydrophobicContact CB-CB 4.23Å; H204-A224 VanDerWaalsContact CE1-CB 3.48Å; H204-A224 WeakPolarHBondContact CE1-CB 3.34Å; H204-A224 VanDerWaalsContact ND1-CB 3.28Å; H204-A224 WeakPolarHBondContact ND1-CB 3.31Å; H204-D226 WeakPolarHBondContact CA-OD2 3.3Å; H204-D226 IonicContact CE1-OD1 2.95Å; H204-D226 IonicContact CE1-OD2 2.82Å; H204-D226 IonicContact CG-OD2 3.05Å; H204-D226 IonicContact ND1-OD1 3.26Å; H204-D226 PolarHBondContact ND1-OD1 3.09Å; H204-D226 IonicContact ND1-OD2 2.71Å; H204-D226 PolarHBondContact ND1-OD2 3.4Å
205	D	91.6	Very high	91.6	Very high	119 Å²	119	43.2 Å²	43.2	64%	0.636	23%	0.23	S	C	*	.	S	Bend	trans	-87.3	-7.5	-178.9	-61.3	-43.2	0	0	0	112.9	D226	D205-D226 HydrophobicContact CB-CB 4.26Å; D205-D226 PolarHBondContact N-OD2 3.06Å
206	R	94.3	Very high	91.8	Very high	141 Å²	141	48 Å²	48	53%	0.532	26%	0.258	S	S	.	.	S	Bend	trans	-145.6	173.9	-179	-65.2	-171.1	173.4	-157.4	-4.8	110.3	H204 D225 D226	H204-R206 VanDerWaalsContact C-N 3.34Å; R206-D225 HydrophobicContact CB-CB 3.81Å; R206-D225 WeakPolarHBondContact CD-O 3.22Å; R206-D226 HydrophobicContact CB-CB 4.21Å; R206-D226 HydrophobicContact CG-CB 4.35Å
207	G	93.2	Very high	91.9	Very high	10 Å²	10	47.3 Å²	47.3	10%	0.103	25%	0.25	C	S	.	.			trans	-54.4	140.2	-178.4	0	0	0	0	0	113.7	A224 D225	G207-A224 WeakPolarHBondContact O-CA 3.46Å; G207-A224 WeakPolarHBondContact O-CB 3.38Å; G207-D225 PolarHBondContact O-N 2.88Å
208	V	96.9	Very high	92	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122.6	-178.3	-167.4	0	0	0	0	109.3	A153 S154 V159 H204 A224	A153-V208 HydrophobicContact CB-CB 4.04Å; A153-V208 HydrophobicContact CB-CG1 3.74Å; S154-V208 CarbonylContact C-O 3.47Å; S154-V208 PolarHBondContact O-N 3.34Å; V159-V208 HydrophobicContact CG2-CB 4.3Å; V159-V208 HydrophobicContact CG2-CG1 3.77Å; V159-V208 HydrophobicContact CG2-CG2 4.22Å; H204-V208 HydrophobicContact CB-CG2 3.96Å; V208-A224 HydrophobicContact CB-CB 4.45Å; V208-A224 HydrophobicContact CG1-CB 4.42Å; V208-A224 HydrophobicContact CG2-CB 4.31Å
209	N	96.1	Very high	92.1	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.107	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-34.4	-175.4	-67	-48.3	0	0	0	112.8	M139 G223 D225 V252	M139-N209 VanDerWaalsContact CB-O 3.22Å; M139-N209 WeakPolarHBondContact CB-O 3.25Å; N209-G223 PolarHBondContact N-O 3.02Å; N209-D225 PolarHBondContact ND2-OD1 3.1Å; N209-V252 PolarHBondContact ND2-O 3.38Å
210	W	96.8	Very high	92.3	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	-146.1	140.8	-172.3	-161	-91.2	0	0	0	111.2	T98 F100 C140 S222 G223 C254 A255	T98-W210 HydrophobicContact CG2-CH2 4.08Å; T98-W210 HydrophobicContact CG2-CZ3 3.74Å; F100-W210 HydrophobicContact CZ-CH2 4.12Å; F100-W210 HydrophobicContact CZ-CZ2 4.28Å; C140-W210 HydrophobicContact CB-CD2 4.22Å; C140-W210 HydrophobicContact CB-CE3 3.93Å; C140-W210 HydrophobicContact CB-CZ3 4.39Å; W210-S222 CarbonylContact O-C 3.53Å; W210-S222 VanDerWaalsContact O-CA 3.22Å; W210-S222 WeakPolarHBondContact O-CA 3.28Å; W210-G223 PolarHBondContact N-O 2.89Å; W210-G223 PolarHBondContact O-N 3.36Å; W210-C254 HydrophobicContact CD2-CB 4.27Å; W210-C254 HydrophobicContact CG-CB 4.28Å; W210-A255 PolarHBondContact NE1-O 3.4Å
211	A	96.3	Very high	92.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.1	167.8	0	0	0	0	0	109.8	V151 A153 V159 I220 V221	V151-A211 HydrophobicContact CG1-CB 4.41Å; V151-A211 HydrophobicContact CG2-CB 3.74Å; A153-A211 HydrophobicContact CB-CB 3.85Å; V159-A211 HydrophobicContact CG1-CB 3.89Å; V159-A211 HydrophobicContact CG2-CB 4.36Å; A211-I220 HydrophobicContact CB-CG2 4.47Å; A211-V221 CarbonylContact C-O 3.52Å; A211-V221 VanDerWaalsContact CA-O 3.26Å; A211-V221 WeakPolarHBondContact CA-O 3.35Å
212	A	94.9	Very high	92.6	Very high	5 Å²	5	40.3 Å²	40.3	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	142.9	179	0	0	0	0	0	111.5	I220 V221	A212-I220 WeakPolarHBondContact O-CA 3.39Å; A212-V221 HydrophobicContact CB-CG1 4.05Å; A212-V221 PolarHBondContact N-O 3.3Å; A212-V221 PolarHBondContact O-N 3.42Å
213	F	94.1	Very high	92.9	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.057	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	148.2	172.6	-73.7	-67.5	0	0	0	111.9	H144 L149 V151 V161 I220 M234 F257	H144-F213 HydrophobicContact CB-CD2 3.92Å; H144-F213 HydrophobicContact CB-CE2 3.75Å; H144-F213 HydrophobicContact CB-CG 4.5Å; H144-F213 HydrophobicContact CB-CZ 4.23Å; H144-F213 AromaticContact CD2-CD1 3.51Å; H144-F213 AromaticContact CD2-CD2 3.84Å; H144-F213 AromaticContact CD2-CE1 3.75Å; H144-F213 AromaticContact CD2-CG 3.54Å; H144-F213 AromaticContact CD2-CZ 3.99Å; L149-F213 HydrophobicContact CB-CZ 4.31Å; V151-F213 HydrophobicContact CB-CD2 4.08Å; V151-F213 HydrophobicContact CB-CE1 4.23Å; V151-F213 HydrophobicContact CB-CE2 3.46Å; V151-F213 VanDerWaalsContact CB-CE2 3.46Å; V151-F213 HydrophobicContact CB-CZ 3.55Å; V151-F213 HydrophobicContact CG1-CD2 3.59Å; V151-F213 HydrophobicContact CG1-CE2 3.47Å; V151-F213 VanDerWaalsContact CG1-CE2 3.47Å; V151-F213 HydrophobicContact CG1-CG 4.29Å; V151-F213 HydrophobicContact CG1-CZ 4.05Å; V161-F213 HydrophobicContact CG1-CZ 4.39Å; F213-I220 HydrophobicContact CD1-CD1 4.22Å; F213-I220 HydrophobicContact CD1-CG1 3.58Å; F213-I220 HydrophobicContact CE1-CD1 3.75Å; F213-I220 HydrophobicContact CE1-CG1 3.65Å; F213-M234 HydrophobicContact CE1-CE 4.02Å; F213-M234 HydrophobicContact CE1-SD 3.84Å; F213-F257 WeakPolarHBondContact O-CD2 3.31Å
214	H	91.5	Very high	93.4	Very high	12 Å²	12	31.8 Å²	31.8	6%	0.056	17%	0.169	C	C	.	.			trans	-71.9	140.6	165.6	-173	-85.7	0	0	0	109.9	T216 M217 L219 F257	H214-T216 VanDerWaalsContact C-N 3.26Å; H214-T216 PolarHBondContact CE1-OG1 3.35Å; H214-T216 VanDerWaalsContact CE1-OG1 3.24Å; H214-T216 PolarHBondContact ND1-N 2.94Å; H214-T216 VanDerWaalsContact ND1-N 3.19Å; H214-T216 PolarHBondContact ND1-OG1 3.49Å; H214-T216 PolarHBondContact O-N 3.31Å; H214-M217 HydrophobicContact CB-CB 4.36Å; H214-M217 WeakPolarHBondContact CB-O 3.36Å; H214-M217 WeakPolarHBondContact CE1-CE 3.38Å; H214-M217 WeakPolarHBondContact ND1-CB 3.38Å; H214-M217 PolarHBondContact ND1-N 3.29Å; H214-M217 VanDerWaalsContact NE2-CE 3.3Å; H214-M217 WeakPolarHBondContact NE2-CE 3.4Å; H214-L219 HydrophobicContact CB-CB 3.92Å; H214-L219 WeakPolarHBondContact CB-O 3.31Å; H214-L219 PolarHBondContact N-O 3.24Å; H214-F257 VanDerWaalsContact CA-CD2 3.43Å; H214-F257 HydrophobicContact CB-CD2 3.8Å; H214-F257 HydrophobicContact CB-CE2 3.72Å; H214-F257 HydrophobicContact CB-CG 4.23Å; H214-F257 HydrophobicContact CB-CZ 4.13Å; H214-F257 AromaticContact CD2-CD1 3.64Å; H214-F257 AromaticContact CD2-CG 3.64Å
215	P	86.1	Confident	93.5	Very high	53 Å²	53	33.1 Å²	33.1	34%	0.344	18%	0.176	S	C	.	.	S	Bend	trans	-58.3	-31.3	-176.3	-29.2	36.5	0	0	0	115.8
216	T	85.3	Confident	93.6	Very high	123 Å²	123	28.4 Å²	28.4	76%	0.755	15%	0.151	S	C	*	.	S	Bend	trans	-136.5	-11.6	-170.9	58	0	0	0	0	115.6	H214	H214-T216 VanDerWaalsContact C-N 3.26Å; H214-T216 PolarHBondContact CE1-OG1 3.35Å; H214-T216 VanDerWaalsContact CE1-OG1 3.24Å; H214-T216 PolarHBondContact ND1-N 2.94Å; H214-T216 VanDerWaalsContact ND1-N 3.19Å; H214-T216 PolarHBondContact ND1-OG1 3.49Å; H214-T216 PolarHBondContact O-N 3.31Å
217	M	88.2	Confident	93.6	Very high	60 Å²	60	27.8 Å²	27.8	30%	0.296	15%	0.148	S	C	.	.	S	Bend	trans	-115.6	150.8	-174.8	-68.1	-168.8	-82.5	0	0	107	H214 L219 M278	H214-M217 HydrophobicContact CB-CB 4.36Å; H214-M217 WeakPolarHBondContact CB-O 3.36Å; H214-M217 WeakPolarHBondContact CE1-CE 3.38Å; H214-M217 WeakPolarHBondContact ND1-CB 3.38Å; H214-M217 PolarHBondContact ND1-N 3.29Å; H214-M217 VanDerWaalsContact NE2-CE 3.3Å; H214-M217 WeakPolarHBondContact NE2-CE 3.4Å; M217-L219 HydrophobicContact CB-CD1 4.12Å; M217-L219 HydrophobicContact CB-CG 4.11Å; M217-L219 HydrophobicContact CE-CD1 4.08Å; M217-L219 PolarHBondContact O-N 2.86Å; M217-L219 HydrophobicContact SD-CD1 4.22Å; M217-M278 HydrophobicContact CE-CE 4.49Å; M217-M278 HydrophobicContact CE-SD 3.78Å
218	P	90.6	Very high	93.6	Very high	64 Å²	64	29 Å²	29	42%	0.416	15%	0.152	S	C	.	.	S	Bend	trans	-79.5	59.9	-179.4	35.3	-37.9	0	0	0	110.5	R233 M234	P218-R233 WeakPolarHBondContact O-CA 3.39Å; P218-M234 HydrophobicContact CB-CG 4.05Å; P218-M234 WeakPolarHBondContact CB-O 3.47Å; P218-M234 PolarHBondContact O-N 3.4Å
219	L	92.3	Very high	93.5	Very high	6 Å²	6	29 Å²	29	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.5	-177.1	-64.3	176.6	0	0	0	110.3	H214 M217 I231 W232 R233 F257 M278	H214-L219 HydrophobicContact CB-CB 3.92Å; H214-L219 WeakPolarHBondContact CB-O 3.31Å; H214-L219 PolarHBondContact N-O 3.24Å; M217-L219 HydrophobicContact CB-CD1 4.12Å; M217-L219 HydrophobicContact CB-CG 4.11Å; M217-L219 HydrophobicContact CE-CD1 4.08Å; M217-L219 PolarHBondContact O-N 2.86Å; M217-L219 HydrophobicContact SD-CD1 4.22Å; L219-I231 HydrophobicContact CD2-CG2 4.42Å; L219-W232 CarbonylContact C-O 3.58Å; L219-W232 VanDerWaalsContact CA-O 3.23Å; L219-W232 WeakPolarHBondContact CA-O 3.38Å; L219-W232 WeakPolarHBondContact CD2-O 3.39Å; L219-R233 HydrophobicContact CD2-CB 3.77Å; L219-R233 HydrophobicContact CD2-CG 4.17Å; L219-F257 HydrophobicContact CB-CZ 4.26Å; L219-M278 HydrophobicContact CD1-CE 3.42Å; L219-M278 VanDerWaalsContact CD1-CE 3.42Å; L219-M278 HydrophobicContact CD1-SD 3.75Å
220	I	94.8	Very high	93.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.1	173.7	-59.6	164.8	0	0	0	107.5	V151 V161 L201 A211 A212 F213 I231 W232 M234	V151-I220 HydrophobicContact CG2-CD1 4.41Å; V151-I220 HydrophobicContact CG2-CG2 4.13Å; V161-I220 HydrophobicContact CG2-CD1 3.7Å; L201-I220 HydrophobicContact CD1-CD1 4.09Å; A211-I220 HydrophobicContact CB-CG2 4.47Å; A212-I220 WeakPolarHBondContact O-CA 3.39Å; F213-I220 HydrophobicContact CD1-CD1 4.22Å; F213-I220 HydrophobicContact CD1-CG1 3.58Å; F213-I220 HydrophobicContact CE1-CD1 3.75Å; F213-I220 HydrophobicContact CE1-CG1 3.65Å; I220-I231 CarbonylContact O-C 3.6Å; I220-I231 WeakPolarHBondContact O-CA 3.24Å; I220-W232 HydrophobicContact CB-CB 4.18Å; I220-W232 PolarHBondContact N-O 2.63Å; I220-W232 PolarHBondContact O-N 2.95Å; I220-M234 HydrophobicContact CD1-SD 4Å; I220-M234 HydrophobicContact CG1-SD 4.45Å
221	V	95.4	Very high	93.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.6	167.3	64.8	0	0	0	0	109.2	A211 A212 V229 K230 A255 F257 I264	A211-V221 CarbonylContact C-O 3.52Å; A211-V221 VanDerWaalsContact CA-O 3.26Å; A211-V221 WeakPolarHBondContact CA-O 3.35Å; A212-V221 HydrophobicContact CB-CG1 4.05Å; A212-V221 PolarHBondContact N-O 3.3Å; A212-V221 PolarHBondContact O-N 3.42Å; V221-V229 HydrophobicContact CG2-CG1 3.45Å; V221-V229 VanDerWaalsContact CG2-CG1 3.45Å; V221-K230 WeakPolarHBondContact CA-O 3.46Å; V221-A255 HydrophobicContact CG1-CB 4.29Å; V221-A255 HydrophobicContact CG2-CB 3.83Å; V221-F257 HydrophobicContact CB-CD2 4.46Å; V221-F257 HydrophobicContact CB-CE1 4.11Å; V221-F257 HydrophobicContact CB-CE2 3.71Å; V221-F257 HydrophobicContact CB-CZ 3.51Å; V221-F257 HydrophobicContact CG1-CD2 3.85Å; V221-F257 HydrophobicContact CG1-CE1 4.41Å; V221-F257 HydrophobicContact CG1-CE2 3.5Å; V221-F257 VanDerWaalsContact CG1-CE2 3.5Å; V221-F257 HydrophobicContact CG1-CG 4.49Å; V221-F257 HydrophobicContact CG1-CZ 3.83Å; V221-I264 HydrophobicContact CG2-CD1 4.49Å; V221-I264 HydrophobicContact CG2-CG2 3.99Å
222	S	96.5	Very high	93.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.5	172.6	59.3	0	0	0	0	111.7	H204 W210 V229 K230 W232	H204-S222 PolarHBondContact NE2-OG 3.07Å; W210-S222 CarbonylContact O-C 3.53Å; W210-S222 VanDerWaalsContact O-CA 3.22Å; W210-S222 WeakPolarHBondContact O-CA 3.28Å; S222-V229 CarbonylContact O-C 3.52Å; S222-V229 VanDerWaalsContact O-CA 3.26Å; S222-V229 WeakPolarHBondContact O-CA 3.4Å; S222-K230 PolarHBondContact N-O 2.94Å; S222-K230 PolarHBondContact O-N 3.39Å; S222-W232 PolarHBondContact OG-NE1 2.95Å
223	G	96.1	Very high	93	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.3	173.7	0	0	0	0	0	110.4	N209 W210	N209-G223 PolarHBondContact N-O 3.02Å; W210-G223 PolarHBondContact N-O 2.89Å; W210-G223 PolarHBondContact O-N 3.36Å
224	A	96.4	Very high	92.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	172.6	-171.4	0	0	0	0	0	113.6	H204 G207 V208 D226 R227 Q228 V252	H204-A224 HydrophobicContact CB-CB 4.23Å; H204-A224 VanDerWaalsContact CE1-CB 3.48Å; H204-A224 WeakPolarHBondContact CE1-CB 3.34Å; H204-A224 VanDerWaalsContact ND1-CB 3.28Å; H204-A224 WeakPolarHBondContact ND1-CB 3.31Å; G207-A224 WeakPolarHBondContact O-CA 3.46Å; G207-A224 WeakPolarHBondContact O-CB 3.38Å; V208-A224 HydrophobicContact CB-CB 4.45Å; V208-A224 HydrophobicContact CG1-CB 4.42Å; V208-A224 HydrophobicContact CG2-CB 4.31Å; A224-D226 WeakPolarHBondContact CB-OD1 3.45Å; A224-D226 PolarHBondContact O-N 3.31Å; A224-R227 PolarHBondContact O-N 3.36Å; A224-Q228 PolarHBondContact N-O 3.23Å; A224-V252 PolarHBondContact O-N 3.31Å; A224-V252 VanDerWaalsContact O-N 3.14Å
225	D	95.3	Very high	92.7	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.193	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.4	177.4	-78.1	-8	0	0	0	113.7	R206 G207 N209 R227 N251	R206-D225 HydrophobicContact CB-CB 3.81Å; R206-D225 WeakPolarHBondContact CD-O 3.22Å; G207-D225 PolarHBondContact O-N 2.88Å; N209-D225 PolarHBondContact ND2-OD1 3.1Å; D225-R227 PolarHBondContact O-N 3.29Å; D225-N251 VanDerWaalsContact CG-ND2 3.26Å; D225-N251 PolarHBondContact O-OD1 3.1Å; D225-N251 VanDerWaalsContact OD1-CB 3.29Å; D225-N251 WeakPolarHBondContact OD1-CB 3.41Å; D225-N251 PolarHBondContact OD1-ND2 2.86Å
226	D	94.3	Very high	92.5	Very high	20 Å²	20	41.5 Å²	41.5	11%	0.107	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	3.1	170.4	66.6	5.7	0	0	0	112.8	H204 D205 R206 A224 Q228	H204-D226 WeakPolarHBondContact CA-OD2 3.3Å; H204-D226 IonicContact CE1-OD1 2.95Å; H204-D226 IonicContact CE1-OD2 2.82Å; H204-D226 IonicContact CG-OD2 3.05Å; H204-D226 IonicContact ND1-OD1 3.26Å; H204-D226 PolarHBondContact ND1-OD1 3.09Å; H204-D226 IonicContact ND1-OD2 2.71Å; H204-D226 PolarHBondContact ND1-OD2 3.4Å; D205-D226 HydrophobicContact CB-CB 4.26Å; D205-D226 PolarHBondContact N-OD2 3.06Å; R206-D226 HydrophobicContact CB-CB 4.21Å; R206-D226 HydrophobicContact CG-CB 4.35Å; A224-D226 WeakPolarHBondContact CB-OD1 3.45Å; A224-D226 PolarHBondContact O-N 3.31Å; D226-Q228 PolarHBondContact O-N 2.89Å; D226-Q228 VanDerWaalsContact OD1-CB 3.28Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.42Å; D226-Q228 PolarHBondContact OD1-N 3.12Å
227	R	94.4	Very high	92.3	Very high	128 Å²	128	40.5 Å²	40.5	48%	0.483	20%	0.2	S	C	.	.	S	Bend	trans	70.8	12.4	179.4	-43.1	168.9	-176	169.8	0	113.3	A224 D225	A224-R227 PolarHBondContact O-N 3.36Å; D225-R227 PolarHBondContact O-N 3.29Å
228	Q	93.2	Very high	92.2	Very high	37 Å²	37	43.4 Å²	43.4	17%	0.173	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	150.4	-177.8	-57.3	-177.4	12.4	0	0	111.2	A224 D226 T244	A224-Q228 PolarHBondContact N-O 3.23Å; D226-Q228 PolarHBondContact O-N 2.89Å; D226-Q228 VanDerWaalsContact OD1-CB 3.28Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.42Å; D226-Q228 PolarHBondContact OD1-N 3.12Å; Q228-T244 HydrophobicContact CB-CG2 3.94Å; Q228-T244 HydrophobicContact CG-CG2 4.05Å
229	V	94.8	Very high	92.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.1	165.1	175.8	0	0	0	0	107.1	V221 S222 C245 V252 A255 I264	V221-V229 HydrophobicContact CG2-CG1 3.45Å; V221-V229 VanDerWaalsContact CG2-CG1 3.45Å; S222-V229 CarbonylContact O-C 3.52Å; S222-V229 VanDerWaalsContact O-CA 3.26Å; S222-V229 WeakPolarHBondContact O-CA 3.4Å; V229-C245 HydrophobicContact CB-CB 4.03Å; V229-C245 PolarHBondContact N-O 3.27Å; V229-C245 PolarHBondContact O-N 2.74Å; V229-V252 HydrophobicContact CG2-CG1 3.85Å; V229-V252 HydrophobicContact CG2-CG2 4.17Å; V229-A255 HydrophobicContact CG1-CB 4.2Å; V229-I264 HydrophobicContact CG1-CG2 4.4Å
230	K	94.2	Very high	92.1	Very high	12 Å²	12	45.5 Å²	45.5	5%	0.052	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.6	-179.7	-72.4	-178.6	179.5	-88.5	0	111.1	G203 V221 S222 W232 E241 T244	G203-K230 WeakPolarHBondContact O-CE 3.33Å; G203-K230 PolarHBondContact O-NZ 3.37Å; V221-K230 WeakPolarHBondContact CA-O 3.46Å; S222-K230 PolarHBondContact N-O 2.94Å; S222-K230 PolarHBondContact O-N 3.39Å; K230-W232 HydrophobicContact CB-CZ2 4.06Å; K230-W232 HydrophobicContact CD-CH2 4.31Å; K230-W232 HydrophobicContact CD-CZ2 3.8Å; K230-E241 IonicContact NZ-OE1 2.76Å; K230-E241 PolarHBondContact NZ-OE1 3.14Å; K230-E241 IonicContact NZ-OE2 3.25Å; K230-E241 PolarHBondContact NZ-OE2 3.21Å; K230-T244 HydrophobicContact CG-CG2 4.45Å; K230-T244 PolarHBondContact NZ-OG1 3.44Å
231	I	93.9	Very high	91.9	Very high	8 Å²	8	49 Å²	49	4%	0.041	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.3	175.4	-53.8	170.9	0	0	0	107.3	L219 I220 V242 D243 I264	L219-I231 HydrophobicContact CD2-CG2 4.42Å; I220-I231 CarbonylContact O-C 3.6Å; I220-I231 WeakPolarHBondContact O-CA 3.24Å; I231-V242 HydrophobicContact CG2-CB 4.46Å; I231-V242 PolarHBondContact O-N 3.34Å; I231-D243 PolarHBondContact N-O 2.93Å; I231-D243 PolarHBondContact O-N 2.87Å; I231-I264 HydrophobicContact CD1-CD1 3.42Å; I231-I264 VanDerWaalsContact CD1-CD1 3.42Å; I231-I264 HydrophobicContact CG1-CD1 3.73Å
232	W	93.9	Very high	91.6	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.019	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.7	178.9	-45.5	82	0	0	0	109.4	L201 L219 I220 S222 K230 W240 E241	L201-W232 HydrophobicContact CB-CD2 4.28Å; L201-W232 HydrophobicContact CB-CE3 4.02Å; L201-W232 HydrophobicContact CB-CH2 4.23Å; L201-W232 HydrophobicContact CB-CZ2 4.49Å; L201-W232 HydrophobicContact CB-CZ3 3.99Å; L201-W232 HydrophobicContact CD1-CB 4.08Å; L201-W232 HydrophobicContact CD1-CD2 3.91Å; L201-W232 HydrophobicContact CD1-CE3 4.19Å; L201-W232 HydrophobicContact CD1-CG 3.85Å; L201-W232 HydrophobicContact CD2-CD2 4.25Å; L201-W232 HydrophobicContact CD2-CE3 3.66Å; L201-W232 HydrophobicContact CD2-CZ3 4.17Å; L201-W232 HydrophobicContact CG-CD2 4.39Å; L201-W232 HydrophobicContact CG-CE3 4.18Å; L219-W232 CarbonylContact C-O 3.58Å; L219-W232 VanDerWaalsContact CA-O 3.23Å; L219-W232 WeakPolarHBondContact CA-O 3.38Å; L219-W232 WeakPolarHBondContact CD2-O 3.39Å; I220-W232 HydrophobicContact CB-CB 4.18Å; I220-W232 PolarHBondContact N-O 2.63Å; I220-W232 PolarHBondContact O-N 2.95Å; S222-W232 PolarHBondContact OG-NE1 2.95Å; K230-W232 HydrophobicContact CB-CZ2 4.06Å; K230-W232 HydrophobicContact CD-CH2 4.31Å; K230-W232 HydrophobicContact CD-CZ2 3.8Å; W232-W240 WeakPolarHBondContact CA-O 3.44Å; W232-E241 HydrophobicContact CE3-CB 3.88Å; W232-E241 HydrophobicContact CH2-CB 4.42Å; W232-E241 HydrophobicContact CZ3-CB 3.78Å
233	R	92.6	Very high	91.1	Very high	115 Å²	115	53.2 Å²	53.2	43%	0.434	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.8	169	177.4	171.4	-75.7	176.4	-4.1	108.4	P218 L219 A239 W240 V242	P218-R233 WeakPolarHBondContact O-CA 3.39Å; L219-R233 HydrophobicContact CD2-CB 3.77Å; L219-R233 HydrophobicContact CD2-CG 4.17Å; R233-A239 CarbonylContact O-C 3.59Å; R233-A239 VanDerWaalsContact O-CA 3.26Å; R233-A239 WeakPolarHBondContact O-CA 3.28Å; R233-W240 HydrophobicContact CB-CZ2 4.27Å; R233-W240 HydrophobicContact CG-CH2 4.08Å; R233-W240 HydrophobicContact CG-CZ2 4.04Å; R233-W240 PolarHBondContact N-O 2.89Å; R233-W240 PolarHBondContact O-N 3.32Å; R233-V242 HydrophobicContact CB-CG2 3.38Å
234	M	90.1	Very high	90.9	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.049	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.8	174.8	69	-172.7	-150.7	0	0	110.5	L149 F213 P218 I220 A239	L149-M234 HydrophobicContact CD1-CE 3.61Å; F213-M234 HydrophobicContact CE1-CE 4.02Å; F213-M234 HydrophobicContact CE1-SD 3.84Å; P218-M234 HydrophobicContact CB-CG 4.05Å; P218-M234 WeakPolarHBondContact CB-O 3.47Å; P218-M234 PolarHBondContact O-N 3.4Å; I220-M234 HydrophobicContact CD1-SD 4Å; I220-M234 HydrophobicContact CG1-SD 4.45Å; M234-A239 HydrophobicContact CB-CB 3.8Å
235	N	88.2	Confident	90.6	Very high	74 Å²	74	53.7 Å²	53.7	40%	0.396	26%	0.258	S	S	.	.			trans	-126.7	-171.4	161.2	66.6	12.3	0	0	0	107.8	H199 S237 K238	H199-N235 PolarHBondContact NE2-O 2.99Å; N235-S237 VanDerWaalsContact C-N 3.26Å; N235-S237 PolarHBondContact O-N 3.41Å; N235-S237 PolarHBondContact OD1-N 3.43Å; N235-S237 VanDerWaalsContact OD1-N 3.1Å; N235-S237 PolarHBondContact OD1-OG 2.92Å; N235-K238 PolarHBondContact N-O 2.97Å; N235-K238 WeakPolarHBondContact OD1-CA 3.39Å; N235-K238 PolarHBondContact OD1-N 3.22Å; N235-K238 PolarHBondContact OD1-O 3.06Å
236	E	81.2	Confident	90.3	Very high	174 Å²	174	60.1 Å²	60.1	81%	0.813	28%	0.28	S	S	*	.	S	Bend	trans	-63.5	-30	-177.9	-67.7	-174.3	165.3	0	0	113.9	K198	K198-E236 WeakPolarHBondContact CE-O 3.17Å
237	S	81.5	Confident	90	Very high	101 Å²	101	60.3 Å²	60.3	71%	0.706	29%	0.286	S	S	*	.	S	Bend	trans	-107.3	-23.3	-170	67	0	0	0	0	114.9	N235	N235-S237 VanDerWaalsContact C-N 3.26Å; N235-S237 PolarHBondContact O-N 3.41Å; N235-S237 PolarHBondContact OD1-N 3.43Å; N235-S237 VanDerWaalsContact OD1-N 3.1Å; N235-S237 PolarHBondContact OD1-OG 2.92Å
238	K	86.4	Confident	89.9	Confident	122 Å²	122	54.7 Å²	54.7	53%	0.53	27%	0.266	S	S	.	.			trans	-151.6	149	-173.3	-178.6	178.9	179.7	-175.4	0	111.3	N235 W240	N235-K238 PolarHBondContact N-O 2.97Å; N235-K238 WeakPolarHBondContact OD1-CA 3.39Å; N235-K238 PolarHBondContact OD1-N 3.22Å; N235-K238 PolarHBondContact OD1-O 3.06Å; K238-W240 HydrophobicContact CD-CE3 4.34Å; K238-W240 HydrophobicContact CG-CE3 4.16Å
239	A	89.1	Confident	89.9	Confident	17 Å²	17	60.6 Å²	60.6	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.7	162.6	0	0	0	0	0	110.7	H199 L201 R233 M234	H199-A239 HydrophobicContact CB-CB 4.18Å; L201-A239 HydrophobicContact CD2-CB 3.41Å; L201-A239 VanDerWaalsContact CD2-CB 3.41Å; L201-A239 HydrophobicContact CG-CB 4.41Å; R233-A239 CarbonylContact O-C 3.59Å; R233-A239 VanDerWaalsContact O-CA 3.26Å; R233-A239 WeakPolarHBondContact O-CA 3.28Å; M234-A239 HydrophobicContact CB-CB 3.8Å
240	W	91.9	Very high	89.9	Confident	97 Å²	97	63.3 Å²	63.3	37%	0.367	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	156.6	-177.2	68.6	96.2	0	0	0	112.6	W232 R233 K238 V242	W232-W240 WeakPolarHBondContact CA-O 3.44Å; R233-W240 HydrophobicContact CB-CZ2 4.27Å; R233-W240 HydrophobicContact CG-CH2 4.08Å; R233-W240 HydrophobicContact CG-CZ2 4.04Å; R233-W240 PolarHBondContact N-O 2.89Å; R233-W240 PolarHBondContact O-N 3.32Å; K238-W240 HydrophobicContact CD-CE3 4.34Å; K238-W240 HydrophobicContact CG-CE3 4.16Å; W240-V242 PolarHBondContact O-N 3.46Å
241	E	90.3	Very high	89.9	Confident	73 Å²	73	64.3 Å²	64.3	34%	0.341	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.1	175.2	-172.8	-177	150.5	0	0	110.6	K230 W232 T244	K230-E241 IonicContact NZ-OE1 2.76Å; K230-E241 PolarHBondContact NZ-OE1 3.14Å; K230-E241 IonicContact NZ-OE2 3.25Å; K230-E241 PolarHBondContact NZ-OE2 3.21Å; W232-E241 HydrophobicContact CE3-CB 3.88Å; W232-E241 HydrophobicContact CH2-CB 4.42Å; W232-E241 HydrophobicContact CZ3-CB 3.78Å; E241-T244 PolarHBondContact OE1-OG1 2.99Å
242	V	88.8	Confident	90	Very high	52 Å²	52	64 Å²	64	32%	0.315	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-46.5	175.2	-178.5	0	0	0	0	110.9	I231 R233 W240	I231-V242 HydrophobicContact CG2-CB 4.46Å; I231-V242 PolarHBondContact O-N 3.34Å; R233-V242 HydrophobicContact CB-CG2 3.38Å; W240-V242 PolarHBondContact O-N 3.46Å
243	D	86.8	Confident	90.1	Very high	36 Å²	36	64.4 Å²	64.4	19%	0.193	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	164.8	-178.2	-144.1	-28.3	0	0	0	113	I231 R281	I231-D243 PolarHBondContact N-O 2.93Å; I231-D243 PolarHBondContact O-N 2.87Å; D243-R281 WeakPolarHBondContact OD2-CB 3.44Å; D243-R281 WeakPolarHBondContact OD2-CD 3.33Å; D243-R281 WeakPolarHBondContact OD2-CG 3.15Å; D243-R281 IonicContact OD2-CZ 2.78Å; D243-R281 IonicContact OD2-NE 2.89Å; D243-R281 PolarHBondContact OD2-NE 2.88Å; D243-R281 IonicContact OD2-NH1 2.69Å; D243-R281 PolarHBondContact OD2-NH1 3.48Å
244	T	90.8	Very high	90.3	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.049	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.4	177.4	-69.6	0	0	0	0	110.7	Q228 K230 E241 R246	Q228-T244 HydrophobicContact CB-CG2 3.94Å; Q228-T244 HydrophobicContact CG-CG2 4.05Å; K230-T244 HydrophobicContact CG-CG2 4.45Å; K230-T244 PolarHBondContact NZ-OG1 3.44Å; E241-T244 PolarHBondContact OE1-OG1 2.99Å; T244-R246 HydrophobicContact CG2-CG 3.88Å
245	C	90.4	Very high	90.5	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.02	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	117.4	170.9	-68.9	0	0	0	0	110.7	V229 W276	V229-C245 HydrophobicContact CB-CB 4.03Å; V229-C245 PolarHBondContact N-O 3.27Å; V229-C245 PolarHBondContact O-N 2.74Å; C245-W276 HydrophobicContact CB-CD2 3.79Å; C245-W276 HydrophobicContact CB-CE3 3.71Å; C245-W276 HydrophobicContact CB-CG 4.32Å; C245-W276 HydrophobicContact CB-CH2 4.29Å; C245-W276 HydrophobicContact CB-CZ2 4.36Å; C245-W276 HydrophobicContact CB-CZ3 3.98Å
246	R	90.2	Very high	90.8	Very high	170 Å²	170	55.7 Å²	55.7	64%	0.642	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.4	-178.6	-60.6	-178.1	179.8	84.8	-0.6	111.5	T244 W276	T244-R246 HydrophobicContact CG2-CG 3.88Å; R246-W276 WeakPolarHBondContact O-CH2 3.12Å; R246-W276 WeakPolarHBondContact O-CZ3 3.3Å
247	G	87.6	Confident	91.4	Very high	24 Å²	24	47.9 Å²	47.9	25%	0.247	24%	0.236	C	C	.	.			trans	159.2	-13.1	170.3	0	0	0	0	0	116.6	R274	G247-R274 VanDerWaalsContact C-CZ 3.48Å; G247-R274 PolarHBondContact O-NE 2.84Å; G247-R274 PolarHBondContact O-NH2 3.1Å
248	H	92.8	Very high	91.7	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.051	20%	0.203	C	C	.	.			trans	-69.4	144.4	169.8	-80.3	-62.8	0	0	0	111.1	V252 S266 S268 D270 S272	H248-V252 HydrophobicContact CB-CG2 4.06Å; H248-S266 PolarHBondContact CD2-OG 3.44Å; H248-S266 PolarHBondContact NE2-OG 3.38Å; H248-S268 VanDerWaalsContact CE1-CB 3.46Å; H248-S268 WeakPolarHBondContact CE1-CB 3.38Å; H248-S268 WeakPolarHBondContact ND1-CB 3.42Å; H248-D270 WeakPolarHBondContact CA-OD2 3.16Å; H248-D270 IonicContact CG-OD2 3.32Å; H248-D270 IonicContact ND1-OD1 3.02Å; H248-D270 PolarHBondContact ND1-OD1 3.36Å; H248-D270 IonicContact ND1-OD2 3.92Å; H248-D270 PolarHBondContact ND1-OD2 3.33Å; H248-S272 PolarHBondContact CE1-OG 3.44Å; H248-S272 PolarHBondContact ND1-OG 3.12Å
249	Y	92	Very high	91.5	Very high	160 Å²	160	39.2 Å²	39.2	63%	0.627	19%	0.189	S	C	*	.	S	Bend	trans	-97.9	-8.6	-178.8	-64.7	-76.3	0	0	0	113.3	D270	Y249-D270 PolarHBondContact N-OD2 2.91Å
250	N	94.1	Very high	91	Very high	58 Å²	58	46.1 Å²	46.1	31%	0.31	21%	0.212	S	C	.	.	S	Bend	trans	-143.7	-179	-179.4	-154.4	-5.5	0	0	0	109.6	V252 S268 E269 D270	N250-V252 PolarHBondContact O-N 3.23Å; N250-S268 PolarHBondContact O-OG 3.23Å; N250-S268 VanDerWaalsContact O-OG 3.08Å; N250-E269 HydrophobicContact CB-CB 4.2Å; N250-D270 HydrophobicContact CB-CB 3.81Å
251	N	95.4	Very high	90.4	Very high	33 Å²	33	44.5 Å²	44.5	18%	0.176	21%	0.208	C	C	.	.			trans	-52	136.5	-177.2	-62.2	8.3	0	0	0	111.8	D225 S268 E269	D225-N251 VanDerWaalsContact CG-ND2 3.26Å; D225-N251 PolarHBondContact O-OD1 3.1Å; D225-N251 VanDerWaalsContact OD1-CB 3.29Å; D225-N251 WeakPolarHBondContact OD1-CB 3.41Å; D225-N251 PolarHBondContact OD1-ND2 2.86Å; N251-S268 VanDerWaalsContact O-CA 3.3Å; N251-S268 WeakPolarHBondContact O-CA 3.37Å; N251-S268 VanDerWaalsContact O-CB 3.3Å; N251-S268 WeakPolarHBondContact O-CB 3.48Å; N251-S268 PolarHBondContact O-OG 3.23Å; N251-E269 PolarHBondContact O-N 3.47Å; N251-E269 VanDerWaalsContact O-N 3.1Å
252	V	96.5	Very high	90.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.9	174.9	-178	0	0	0	0	107.9	N209 A224 V229 H248 N250 N267	N209-V252 PolarHBondContact ND2-O 3.38Å; A224-V252 PolarHBondContact O-N 3.31Å; A224-V252 VanDerWaalsContact O-N 3.14Å; V229-V252 HydrophobicContact CG2-CG1 3.85Å; V229-V252 HydrophobicContact CG2-CG2 4.17Å; H248-V252 HydrophobicContact CB-CG2 4.06Å; N250-V252 PolarHBondContact O-N 3.23Å; V252-N267 WeakPolarHBondContact CG1-O 3.5Å
253	S	95.3	Very high	90.2	Very high	14 Å²	14	45.3 Å²	45.3	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-37	-173.9	-51.6	0	0	0	0	112.4	N267 F294 W295	S253-N267 PolarHBondContact N-O 2.71Å; S253-F294 PolarHBondContact OG-O 3.12Å; S253-W295 WeakPolarHBondContact CB-O 3.36Å
254	C	95.9	Very high	90.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144	-177.1	-175.3	0	0	0	0	111	W210 S266 N267 L297	W210-C254 HydrophobicContact CD2-CB 4.27Å; W210-C254 HydrophobicContact CG-CB 4.28Å; C254-S266 WeakPolarHBondContact O-CA 3.5Å; C254-N267 WeakPolarHBondContact CA-OD1 3.39Å; C254-N267 VanDerWaalsContact CB-OD1 3.23Å; C254-N267 WeakPolarHBondContact CB-OD1 3.42Å; C254-N267 PolarHBondContact N-OD1 3.11Å; C254-N267 PolarHBondContact O-N 3.24Å; C254-N267 PolarHBondContact O-OD1 3.23Å; C254-L297 HydrophobicContact CB-CB 4.44Å
255	A	95.8	Very high	90.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	131	173.9	0	0	0	0	0	110.3	W210 V221 V229 L265	W210-A255 PolarHBondContact NE1-O 3.4Å; V221-A255 HydrophobicContact CG1-CB 4.29Å; V221-A255 HydrophobicContact CG2-CB 3.83Å; V229-A255 HydrophobicContact CG1-CB 4.2Å; A255-L265 CarbonylContact C-O 3.49Å; A255-L265 WeakPolarHBondContact CA-O 3.48Å
256	V	94.3	Very high	90.9	Very high	16 Å²	16	43.1 Å²	43.1	10%	0.097	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.8	-177.3	-64.3	0	0	0	0	111.4	L265 L297	V256-L265 HydrophobicContact CG2-CB 4.12Å; V256-L265 PolarHBondContact N-O 3.49Å; V256-L265 PolarHBondContact O-N 2.85Å; V256-L297 HydrophobicContact CG1-CB 4.39Å; V256-L297 HydrophobicContact CG2-CB 4Å; V256-L297 HydrophobicContact CG2-CD1 4.28Å
257	F	92.4	Very high	91.2	Very high	11 Å²	11	35 Å²	35	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	147.4	172	-68.6	-70.9	0	0	0	111.8	F213 H214 L219 V221 I264 M278	F213-F257 WeakPolarHBondContact O-CD2 3.31Å; H214-F257 VanDerWaalsContact CA-CD2 3.43Å; H214-F257 HydrophobicContact CB-CD2 3.8Å; H214-F257 HydrophobicContact CB-CE2 3.72Å; H214-F257 HydrophobicContact CB-CG 4.23Å; H214-F257 HydrophobicContact CB-CZ 4.13Å; H214-F257 AromaticContact CD2-CD1 3.64Å; H214-F257 AromaticContact CD2-CG 3.64Å; L219-F257 HydrophobicContact CB-CZ 4.26Å; V221-F257 HydrophobicContact CB-CD2 4.46Å; V221-F257 HydrophobicContact CB-CE1 4.11Å; V221-F257 HydrophobicContact CB-CE2 3.71Å; V221-F257 HydrophobicContact CB-CZ 3.51Å; V221-F257 HydrophobicContact CG1-CD2 3.85Å; V221-F257 HydrophobicContact CG1-CE1 4.41Å; V221-F257 HydrophobicContact CG1-CE2 3.5Å; V221-F257 VanDerWaalsContact CG1-CE2 3.5Å; V221-F257 HydrophobicContact CG1-CG 4.49Å; V221-F257 HydrophobicContact CG1-CZ 3.83Å; F257-I264 HydrophobicContact CD1-CD1 4.36Å; F257-I264 HydrophobicContact CD1-CG1 3.72Å; F257-I264 HydrophobicContact CE1-CD1 3.85Å; F257-I264 HydrophobicContact CE1-CG1 3.74Å; F257-M278 HydrophobicContact CD1-CE 3.9Å; F257-M278 HydrophobicContact CE1-CE 3.3Å; F257-M278 HydrophobicContact CZ-CE 4.17Å
258	H	89.4	Confident	91.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	16%	0.155	C	C	.	.			trans	-73.2	128	167.1	-173.3	-63.7	0	0	0	109.3	R260 Q261 L263 L265 N304 F306	H258-R260 VanDerWaalsContact C-N 3.29Å; H258-R260 PolarHBondContact ND1-N 2.72Å; H258-R260 VanDerWaalsContact ND1-N 3.15Å; H258-R260 PolarHBondContact O-N 2.93Å; H258-R260 VanDerWaalsContact O-N 3.17Å; H258-Q261 HydrophobicContact CB-CB 4.46Å; H258-Q261 WeakPolarHBondContact CB-O 3.37Å; H258-Q261 PolarHBondContact ND1-N 2.95Å; H258-L263 HydrophobicContact CB-CB 3.84Å; H258-L263 VanDerWaalsContact CB-O 3.31Å; H258-L263 WeakPolarHBondContact CB-O 3.1Å; H258-L263 PolarHBondContact N-O 3.33Å; H258-L265 HydrophobicContact CB-CD1 4.18Å; H258-N304 PolarHBondContact NE2-OD1 2.76Å; H258-F306 HydrophobicContact CB-CZ 4.27Å; H258-F306 AromaticContact CD2-CE2 3.57Å; H258-F306 AromaticContact CD2-CZ 3.2Å; H258-F306 WeakPolarHBondContact CD2-CZ 3.31Å; H258-F306 AromaticContact CG-CZ 3.77Å; H258-F306 AromaticContact NE2-CE2 3.7Å; H258-F306 AromaticContact NE2-CZ 3.63Å
259	P	82.4	Confident	91.6	Very high	38 Å²	38	35.2 Å²	35.2	25%	0.247	16%	0.161	C	C	.	.	S	Bend	trans	-63.1	-27.5	-172.5	-25.7	33.5	0	0	0	115.8	A299 H300	P259-A299 HydrophobicContact CG-CB 4.03Å; P259-H300 WeakPolarHBondContact CG-O 3.37Å
260	R	77.5	Confident	91.7	Very high	163 Å²	163	28 Å²	28	62%	0.615	13%	0.134	S	C	*	.	S	Bend	trans	-119.4	-16.2	-174.1	-61.9	-178.9	70	151.5	0.5	116.1	H258 E593	H258-R260 VanDerWaalsContact C-N 3.29Å; H258-R260 PolarHBondContact ND1-N 2.72Å; H258-R260 VanDerWaalsContact ND1-N 3.15Å; H258-R260 PolarHBondContact O-N 2.93Å; H258-R260 VanDerWaalsContact O-N 3.17Å; R260-E593 IonicContact CZ-OE1 3.82Å; R260-E593 IonicContact NH1-OE1 2.74Å; R260-E593 PolarHBondContact NH1-OE1 3.31Å; R260-E593 IonicContact NH2-OE1 3.11Å; R260-E593 PolarHBondContact NH2-OE1 3.07Å
261	Q	80.2	Confident	91.6	Very high	62 Å²	62	28.8 Å²	28.8	29%	0.29	13%	0.134	S	C	.	.	S	Bend	trans	-125.3	154.8	-171.2	-67.3	-174.9	-10.6	0	0	107.3	H258 L263 E320	H258-Q261 HydrophobicContact CB-CB 4.46Å; H258-Q261 WeakPolarHBondContact CB-O 3.37Å; H258-Q261 PolarHBondContact ND1-N 2.95Å; Q261-L263 HydrophobicContact CB-CD1 4.28Å; Q261-L263 HydrophobicContact CB-CG 4.14Å; Q261-L263 PolarHBondContact O-N 3.26Å; Q261-E320 PolarHBondContact NE2-OE1 3.03Å; Q261-E320 PolarHBondContact NE2-OE2 3.43Å
262	E	85.6	Confident	91.5	Very high	116 Å²	116	27.4 Å²	27.4	54%	0.542	13%	0.127	S	C	.	.	S	Bend	trans	-78.3	56	178.9	-63	-176.6	172	0	0	111.4	M278	E262-M278 HydrophobicContact CB-CB 4.2Å; E262-M278 WeakPolarHBondContact O-CB 3.21Å; E262-M278 PolarHBondContact O-N 2.97Å
263	L	89.3	Confident	91.4	Very high	27 Å²	27	27.6 Å²	27.6	14%	0.141	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149	-178.4	-60.5	178.8	0	0	0	111.1	H258 Q261 V275 W276 D277 V284 L319	H258-L263 HydrophobicContact CB-CB 3.84Å; H258-L263 VanDerWaalsContact CB-O 3.31Å; H258-L263 WeakPolarHBondContact CB-O 3.1Å; H258-L263 PolarHBondContact N-O 3.33Å; Q261-L263 HydrophobicContact CB-CD1 4.28Å; Q261-L263 HydrophobicContact CB-CG 4.14Å; Q261-L263 PolarHBondContact O-N 3.26Å; L263-V275 HydrophobicContact CB-CG1 4.27Å; L263-V275 HydrophobicContact CD1-CG1 4.03Å; L263-V275 HydrophobicContact CD2-CG1 4.29Å; L263-V275 HydrophobicContact CG-CG1 4.44Å; L263-W276 CarbonylContact C-O 3.57Å; L263-W276 VanDerWaalsContact CA-O 3.25Å; L263-W276 WeakPolarHBondContact CA-O 3.27Å; L263-D277 HydrophobicContact CD2-CB 4.46Å; L263-V284 HydrophobicContact CD2-CG2 4.44Å; L263-L319 HydrophobicContact CD1-CD1 3.99Å
264	I	92.6	Very high	91.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.8	171.9	-58.8	169.9	0	0	0	108	V221 V229 I231 F257 V275 W276 M278	V221-I264 HydrophobicContact CG2-CD1 4.49Å; V221-I264 HydrophobicContact CG2-CG2 3.99Å; V229-I264 HydrophobicContact CG1-CG2 4.4Å; I231-I264 HydrophobicContact CD1-CD1 3.42Å; I231-I264 VanDerWaalsContact CD1-CD1 3.42Å; I231-I264 HydrophobicContact CG1-CD1 3.73Å; F257-I264 HydrophobicContact CD1-CD1 4.36Å; F257-I264 HydrophobicContact CD1-CG1 3.72Å; F257-I264 HydrophobicContact CE1-CD1 3.85Å; F257-I264 HydrophobicContact CE1-CG1 3.74Å; I264-V275 CarbonylContact O-C 3.59Å; I264-V275 WeakPolarHBondContact O-CA 3.42Å; I264-W276 HydrophobicContact CB-CB 4.21Å; I264-W276 PolarHBondContact N-O 3Å; I264-W276 PolarHBondContact O-N 3.38Å; I264-M278 HydrophobicContact CD1-CE 4.42Å
265	L	94.4	Very high	91.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130	171.6	-68	82.1	0	0	0	108.7	A255 V256 H258 R274 V275 L297 F306 F317 L319	A255-L265 CarbonylContact C-O 3.49Å; A255-L265 WeakPolarHBondContact CA-O 3.48Å; V256-L265 HydrophobicContact CG2-CB 4.12Å; V256-L265 PolarHBondContact N-O 3.49Å; V256-L265 PolarHBondContact O-N 2.85Å; H258-L265 HydrophobicContact CB-CD1 4.18Å; L265-R274 WeakPolarHBondContact CA-O 3.43Å; L265-V275 HydrophobicContact CG-CG2 4.39Å; L265-L297 HydrophobicContact CB-CD1 4.15Å; L265-F306 HydrophobicContact CD1-CD1 4.31Å; L265-F306 HydrophobicContact CD1-CE1 3.82Å; L265-F306 HydrophobicContact CD1-CZ 3.99Å; L265-F306 HydrophobicContact CD2-CB 4.3Å; L265-F306 HydrophobicContact CD2-CD1 3.72Å; L265-F306 HydrophobicContact CD2-CD2 4.04Å; L265-F306 HydrophobicContact CD2-CE1 4.06Å; L265-F306 HydrophobicContact CD2-CE2 4.37Å; L265-F306 HydrophobicContact CD2-CG 3.72Å; L265-F306 HydrophobicContact CD2-CZ 4.4Å; L265-F317 HydrophobicContact CD2-CE2 4.08Å; L265-F317 HydrophobicContact CD2-CZ 4.13Å; L265-L319 HydrophobicContact CD1-CD1 4.19Å; L265-L319 HydrophobicContact CD2-CD1 4.32Å; L265-L319 HydrophobicContact CD2-CD2 4.28Å; L265-L319 HydrophobicContact CG-CD1 4.49Å
266	S	95.5	Very high	90.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.4	172.3	62	0	0	0	0	110.7	H248 C254 I273 R274 W276	H248-S266 PolarHBondContact CD2-OG 3.44Å; H248-S266 PolarHBondContact NE2-OG 3.38Å; C254-S266 WeakPolarHBondContact O-CA 3.5Å; S266-I273 CarbonylContact O-C 3.47Å; S266-I273 VanDerWaalsContact O-CA 3.3Å; S266-I273 WeakPolarHBondContact O-CA 3.41Å; S266-R274 PolarHBondContact N-O 3.17Å; S266-R274 PolarHBondContact O-N 3.03Å; S266-W276 PolarHBondContact OG-NE1 3.34Å
267	N	95.7	Very high	90.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	155.5	171.3	75.4	-4.8	0	0	0	110.7	V252 S253 C254 S272 I273 F294 V296 L297	V252-N267 WeakPolarHBondContact CG1-O 3.5Å; S253-N267 PolarHBondContact N-O 2.71Å; C254-N267 WeakPolarHBondContact CA-OD1 3.39Å; C254-N267 VanDerWaalsContact CB-OD1 3.23Å; C254-N267 WeakPolarHBondContact CB-OD1 3.42Å; C254-N267 PolarHBondContact N-OD1 3.11Å; C254-N267 PolarHBondContact O-N 3.24Å; C254-N267 PolarHBondContact O-OD1 3.23Å; N267-S272 WeakPolarHBondContact CA-O 3.26Å; N267-I273 HydrophobicContact CB-CG1 4.28Å; N267-F294 HydrophobicContact CB-CB 3.63Å; N267-F294 HydrophobicContact CB-CG 4.43Å; N267-V296 WeakPolarHBondContact ND2-CA 3.24Å; N267-V296 PolarHBondContact ND2-N 3.36Å; N267-V296 PolarHBondContact ND2-O 3.43Å; N267-L297 HydrophobicContact CB-CD1 3.79Å; N267-L297 HydrophobicContact CB-CD2 4.28Å; N267-L297 HydrophobicContact CB-CG 3.86Å
268	S	95.3	Very high	90	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	157.7	-176.4	172.3	0	0	0	0	112.1	H248 N250 N251 D270 K271 S272	H248-S268 VanDerWaalsContact CE1-CB 3.46Å; H248-S268 WeakPolarHBondContact CE1-CB 3.38Å; H248-S268 WeakPolarHBondContact ND1-CB 3.42Å; N250-S268 PolarHBondContact O-OG 3.23Å; N250-S268 VanDerWaalsContact O-OG 3.08Å; N251-S268 VanDerWaalsContact O-CA 3.3Å; N251-S268 WeakPolarHBondContact O-CA 3.37Å; N251-S268 VanDerWaalsContact O-CB 3.3Å; N251-S268 WeakPolarHBondContact O-CB 3.48Å; N251-S268 PolarHBondContact O-OG 3.23Å; S268-D270 VanDerWaalsContact CB-OD1 3.29Å; S268-D270 WeakPolarHBondContact CB-OD1 3.39Å; S268-D270 PolarHBondContact O-N 2.87Å; S268-D270 VanDerWaalsContact O-N 3.17Å; S268-D270 VanDerWaalsContact OG-CG 3.31Å; S268-D270 PolarHBondContact OG-N 2.91Å; S268-D270 VanDerWaalsContact OG-N 3.09Å; S268-D270 PolarHBondContact OG-OD1 2.92Å; S268-K271 PolarHBondContact O-N 3.42Å; S268-K271 VanDerWaalsContact O-N 3.14Å; S268-S272 PolarHBondContact N-O 3.26Å; S268-S272 VanDerWaalsContact N-O 3.08Å
269	E	94.3	Very high	89.6	Confident	38 Å²	38	33.7 Å²	33.7	18%	0.178	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-5.8	168	-63.7	-159.5	-141	0	0	113.5	N250 N251 K271 R293 W295	N250-E269 HydrophobicContact CB-CB 4.2Å; N251-E269 PolarHBondContact O-N 3.47Å; N251-E269 VanDerWaalsContact O-N 3.1Å; E269-K271 PolarHBondContact O-N 2.9Å; E269-R293 HydrophobicContact CB-CG 4.5Å; E269-R293 IonicContact OE2-CZ 3.35Å; E269-R293 IonicContact OE2-NH1 3.65Å; E269-R293 PolarHBondContact OE2-NH1 2.97Å; E269-W295 HydrophobicContact CG-CZ3 4.26Å; E269-W295 WeakPolarHBondContact OE1-CZ3 3.31Å
270	D	92.9	Very high	89.3	Confident	10 Å²	10	38.3 Å²	38.3	5%	0.053	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	4.1	168.1	72.6	7.2	0	0	0	113.4	H248 Y249 N250 S268 S272	H248-D270 WeakPolarHBondContact CA-OD2 3.16Å; H248-D270 IonicContact CG-OD2 3.32Å; H248-D270 IonicContact ND1-OD1 3.02Å; H248-D270 PolarHBondContact ND1-OD1 3.36Å; H248-D270 IonicContact ND1-OD2 3.92Å; H248-D270 PolarHBondContact ND1-OD2 3.33Å; Y249-D270 PolarHBondContact N-OD2 2.91Å; N250-D270 HydrophobicContact CB-CB 3.81Å; S268-D270 VanDerWaalsContact CB-OD1 3.29Å; S268-D270 WeakPolarHBondContact CB-OD1 3.39Å; S268-D270 PolarHBondContact O-N 2.87Å; S268-D270 VanDerWaalsContact O-N 3.17Å; S268-D270 VanDerWaalsContact OG-CG 3.31Å; S268-D270 PolarHBondContact OG-N 2.91Å; S268-D270 VanDerWaalsContact OG-N 3.09Å; S268-D270 PolarHBondContact OG-OD1 2.92Å; D270-S272 VanDerWaalsContact C-N 3.3Å; D270-S272 VanDerWaalsContact CG-OG 3.24Å; D270-S272 WeakPolarHBondContact OD1-CA 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 3.14Å; D270-S272 PolarHBondContact OD1-OG 2.81Å; D270-S272 PolarHBondContact OD2-OG 2.78Å
271	K	93.6	Very high	89.1	Confident	74 Å²	74	37 Å²	37	32%	0.322	17%	0.173	S	C	.	.	S	Bend	trans	71.1	24.4	179.2	-44.5	171.4	-176.8	175.5	0	112.9	S268 E269 R288 R289 D290 D292 R293	S268-K271 PolarHBondContact O-N 3.42Å; S268-K271 VanDerWaalsContact O-N 3.14Å; E269-K271 PolarHBondContact O-N 2.9Å; K271-R288 WeakPolarHBondContact O-CA 3.45Å; K271-R289 WeakPolarHBondContact CB-O 3.41Å; K271-R289 WeakPolarHBondContact CD-O 3.24Å; K271-R289 PolarHBondContact O-N 3.17Å; K271-D290 VanDerWaalsContact CD-O 3.27Å; K271-D290 WeakPolarHBondContact CD-O 3.37Å; K271-D290 WeakPolarHBondContact CE-O 3.33Å; K271-D290 PolarHBondContact NZ-O 3.14Å; K271-D292 WeakPolarHBondContact CA-O 3.15Å; K271-D292 WeakPolarHBondContact CB-O 3.2Å; K271-R293 HydrophobicContact CG-CG 4.15Å
272	S	93.4	Very high	89.1	Confident	3 Å²	3	37.8 Å²	37.8	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.5	178.9	79.1	0	0	0	0	114.3	H248 N267 S268 D270 F287	H248-S272 PolarHBondContact CE1-OG 3.44Å; H248-S272 PolarHBondContact ND1-OG 3.12Å; N267-S272 WeakPolarHBondContact CA-O 3.26Å; S268-S272 PolarHBondContact N-O 3.26Å; S268-S272 VanDerWaalsContact N-O 3.08Å; D270-S272 VanDerWaalsContact C-N 3.3Å; D270-S272 VanDerWaalsContact CG-OG 3.24Å; D270-S272 WeakPolarHBondContact OD1-CA 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.38Å; D270-S272 PolarHBondContact OD1-N 3.14Å; D270-S272 PolarHBondContact OD1-OG 2.81Å; D270-S272 PolarHBondContact OD2-OG 2.78Å; S272-F287 CarbonylContact C-O 3.57Å; S272-F287 WeakPolarHBondContact CA-O 3.42Å; S272-F287 VanDerWaalsContact CB-O 3.27Å; S272-F287 WeakPolarHBondContact CB-O 3.46Å
273	I	94	Very high	88.9	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.8	162.6	-57.6	172.1	0	0	0	106.5	M1 S266 N267 F287 F294 L297 A308 F317	M1-I273 HydrophobicContact CE-CD1 4.07Å; S266-I273 CarbonylContact O-C 3.47Å; S266-I273 VanDerWaalsContact O-CA 3.3Å; S266-I273 WeakPolarHBondContact O-CA 3.41Å; N267-I273 HydrophobicContact CB-CG1 4.28Å; I273-F287 HydrophobicContact CB-CB 4.45Å; I273-F287 HydrophobicContact CD1-CD1 4.33Å; I273-F287 PolarHBondContact N-O 3.32Å; I273-F287 PolarHBondContact O-N 3.49Å; I273-F294 HydrophobicContact CD1-CD1 4.01Å; I273-F294 HydrophobicContact CD1-CE1 3.74Å; I273-F294 HydrophobicContact CD1-CE2 4.28Å; I273-F294 HydrophobicContact CD1-CG 4.39Å; I273-F294 HydrophobicContact CD1-CZ 3.89Å; I273-F294 HydrophobicContact CG1-CD1 4.15Å; I273-F294 HydrophobicContact CG1-CD2 3.9Å; I273-F294 HydrophobicContact CG1-CE1 4.18Å; I273-F294 HydrophobicContact CG1-CE2 3.94Å; I273-F294 HydrophobicContact CG1-CG 4.01Å; I273-F294 HydrophobicContact CG1-CZ 4.08Å; I273-L297 HydrophobicContact CD1-CD2 4.45Å; I273-A308 HydrophobicContact CD1-CB 3.56Å; I273-F317 HydrophobicContact CD1-CE1 4.09Å; I273-F317 HydrophobicContact CD1-CZ 4.12Å; I273-F317 HydrophobicContact CG2-CZ 4.41Å
274	R	92.8	Very high	88.6	Confident	34 Å²	34	36.5 Å²	36.5	13%	0.128	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.9	177	-71.8	-176.5	171.9	-120.2	1.1	110.6	G247 L265 S266 W276 Q285 T286	G247-R274 VanDerWaalsContact C-CZ 3.48Å; G247-R274 PolarHBondContact O-NE 2.84Å; G247-R274 PolarHBondContact O-NH2 3.1Å; L265-R274 WeakPolarHBondContact CA-O 3.43Å; S266-R274 PolarHBondContact N-O 3.17Å; S266-R274 PolarHBondContact O-N 3.03Å; R274-W276 HydrophobicContact CB-CZ2 3.77Å; R274-W276 VanDerWaalsContact CD-CZ2 3.42Å; R274-W276 HydrophobicContact CG-CZ2 4.24Å; R274-Q285 WeakPolarHBondContact CA-O 3.49Å; R274-T286 HydrophobicContact CG-CG2 3.91Å
275	V	91.9	Very high	88.1	Confident	10 Å²	10	39.3 Å²	39.3	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.7	173.7	-174.4	0	0	0	0	107.8	L263 I264 L265 V284 Q285 L319	L263-V275 HydrophobicContact CB-CG1 4.27Å; L263-V275 HydrophobicContact CD1-CG1 4.03Å; L263-V275 HydrophobicContact CD2-CG1 4.29Å; L263-V275 HydrophobicContact CG-CG1 4.44Å; I264-V275 CarbonylContact O-C 3.59Å; I264-V275 WeakPolarHBondContact O-CA 3.42Å; L265-V275 HydrophobicContact CG-CG2 4.39Å; V275-V284 PolarHBondContact O-N 2.89Å; V275-Q285 HydrophobicContact CB-CB 4.3Å; V275-Q285 HydrophobicContact CG2-CB 4.3Å; V275-Q285 PolarHBondContact N-O 2.96Å; V275-Q285 PolarHBondContact O-N 3.49Å; V275-L319 HydrophobicContact CG1-CD1 4.14Å; V275-L319 HydrophobicContact CG2-CD1 4.38Å; V275-L319 HydrophobicContact CG2-CD2 3.85Å
276	W	90.2	Very high	87.8	Confident	5 Å²	5	42.8 Å²	42.8	2%	0.019	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	140.1	-178.5	-46.8	88.8	0	0	0	110	C245 R246 L263 I264 S266 R274	C245-W276 HydrophobicContact CB-CD2 3.79Å; C245-W276 HydrophobicContact CB-CE3 3.71Å; C245-W276 HydrophobicContact CB-CG 4.32Å; C245-W276 HydrophobicContact CB-CH2 4.29Å; C245-W276 HydrophobicContact CB-CZ2 4.36Å; C245-W276 HydrophobicContact CB-CZ3 3.98Å; R246-W276 WeakPolarHBondContact O-CH2 3.12Å; R246-W276 WeakPolarHBondContact O-CZ3 3.3Å; L263-W276 CarbonylContact C-O 3.57Å; L263-W276 VanDerWaalsContact CA-O 3.25Å; L263-W276 WeakPolarHBondContact CA-O 3.27Å; I264-W276 HydrophobicContact CB-CB 4.21Å; I264-W276 PolarHBondContact N-O 3Å; I264-W276 PolarHBondContact O-N 3.38Å; S266-W276 PolarHBondContact OG-NE1 3.34Å; R274-W276 HydrophobicContact CB-CZ2 3.77Å; R274-W276 VanDerWaalsContact CD-CZ2 3.42Å; R274-W276 HydrophobicContact CG-CZ2 4.24Å
277	D	86.2	Confident	87.5	Confident	25 Å²	25	45.7 Å²	45.7	13%	0.134	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.1	171.2	-172.5	-40.9	0	0	0	108.6	L263 S279 K280 R281 T282 V284	L263-D277 HydrophobicContact CD2-CB 4.46Å; D277-S279 VanDerWaalsContact C-N 3.33Å; D277-S279 WeakPolarHBondContact OD1-CA 3.25Å; D277-S279 WeakPolarHBondContact OD1-CB 3.41Å; D277-S279 PolarHBondContact OD1-N 3.42Å; D277-S279 PolarHBondContact OD1-OG 3Å; D277-K280 HydrophobicContact CB-CB 4.14Å; D277-K280 PolarHBondContact OD1-N 2.97Å; D277-K280 WeakPolarHBondContact OD2-CD 3.18Å; D277-K280 IonicContact OD2-NZ 3.55Å; D277-R281 VanDerWaalsContact O-CA 3.24Å; D277-R281 WeakPolarHBondContact O-CA 3.36Å; D277-R281 PolarHBondContact O-N 3.48Å; D277-T282 PolarHBondContact N-O 3.3Å; D277-T282 VanDerWaalsContact N-O 3.09Å; D277-V284 HydrophobicContact CB-CG2 3.58Å
278	M	82.8	Confident	87.1	Confident	30 Å²	30	52.9 Å²	52.9	15%	0.148	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-32.6	-179.6	179.5	-178.7	-93.7	0	0	112	M217 L219 F257 E262 I264	M217-M278 HydrophobicContact CE-CE 4.49Å; M217-M278 HydrophobicContact CE-SD 3.78Å; L219-M278 HydrophobicContact CD1-CE 3.42Å; L219-M278 VanDerWaalsContact CD1-CE 3.42Å; L219-M278 HydrophobicContact CD1-SD 3.75Å; F257-M278 HydrophobicContact CD1-CE 3.9Å; F257-M278 HydrophobicContact CE1-CE 3.3Å; F257-M278 HydrophobicContact CZ-CE 4.17Å; E262-M278 HydrophobicContact CB-CB 4.2Å; E262-M278 WeakPolarHBondContact O-CB 3.21Å; E262-M278 PolarHBondContact O-N 2.97Å; I264-M278 HydrophobicContact CD1-CE 4.42Å
279	S	81.2	Confident	86.6	Confident	68 Å²	68	55 Å²	55	48%	0.476	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-46.9	-178.8	72.3	0	0	0	0	111.6	D277	D277-S279 VanDerWaalsContact C-N 3.33Å; D277-S279 WeakPolarHBondContact OD1-CA 3.25Å; D277-S279 WeakPolarHBondContact OD1-CB 3.41Å; D277-S279 PolarHBondContact OD1-N 3.42Å; D277-S279 PolarHBondContact OD1-OG 3Å
280	K	75.6	Confident	86	Confident	135 Å²	135	58.9 Å²	58.9	59%	0.587	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-15.6	-176.3	-65.5	175.4	-170	152.4	0	113.7	D277 T282	D277-K280 HydrophobicContact CB-CB 4.14Å; D277-K280 PolarHBondContact OD1-N 2.97Å; D277-K280 WeakPolarHBondContact OD2-CD 3.18Å; D277-K280 IonicContact OD2-NZ 3.55Å; K280-T282 PolarHBondContact O-N 3.2Å
281	R	73	Confident	85.5	Confident	136 Å²	136	66.3 Å²	66.3	51%	0.513	33%	0.329	S	S	.	.			trans	59.7	31.9	176.7	-52.4	137.5	173.9	-123.7	11.2	113	D243 D277	D243-R281 WeakPolarHBondContact OD2-CB 3.44Å; D243-R281 WeakPolarHBondContact OD2-CD 3.33Å; D243-R281 WeakPolarHBondContact OD2-CG 3.15Å; D243-R281 IonicContact OD2-CZ 2.78Å; D243-R281 IonicContact OD2-NE 2.89Å; D243-R281 PolarHBondContact OD2-NE 2.88Å; D243-R281 IonicContact OD2-NH1 2.69Å; D243-R281 PolarHBondContact OD2-NH1 3.48Å; D277-R281 VanDerWaalsContact O-CA 3.24Å; D277-R281 WeakPolarHBondContact O-CA 3.36Å; D277-R281 PolarHBondContact O-N 3.48Å
282	T	81.2	Confident	85.2	Confident	77 Å²	77	64.1 Å²	64.1	47%	0.472	32%	0.321	S	S	.	.	S	Bend	trans	-128.8	152.6	-179.8	57.2	0	0	0	0	111.3	D277 K280 V284	D277-T282 PolarHBondContact N-O 3.3Å; D277-T282 VanDerWaalsContact N-O 3.09Å; K280-T282 PolarHBondContact O-N 3.2Å; T282-V284 PolarHBondContact O-N 3.05Å
283	G	81.3	Confident	85.2	Confident	40 Å²	40	67.4 Å²	67.4	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124.3	172.2	0	0	0	0	0	111.6
284	V	82.2	Confident	85.3	Confident	77 Å²	77	67.2 Å²	67.2	47%	0.467	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-47.7	178.9	-171.2	0	0	0	0	110.9	L263 V275 D277 T282	L263-V284 HydrophobicContact CD2-CG2 4.44Å; V275-V284 PolarHBondContact O-N 2.89Å; D277-V284 HydrophobicContact CB-CG2 3.58Å; T282-V284 PolarHBondContact O-N 3.05Å
285	Q	82.9	Confident	85.4	Confident	59 Å²	59	67.7 Å²	67.7	28%	0.276	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139.2	-178.6	-65.2	-172.7	3	0	0	109.9	R274 V275	R274-Q285 WeakPolarHBondContact CA-O 3.49Å; V275-Q285 HydrophobicContact CB-CB 4.3Å; V275-Q285 HydrophobicContact CG2-CB 4.3Å; V275-Q285 PolarHBondContact N-O 2.96Å; V275-Q285 PolarHBondContact O-N 3.49Å
286	T	88.8	Confident	85.6	Confident	74 Å²	74	67.6 Å²	67.6	45%	0.454	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.9	170.3	-57.5	0	0	0	0	107.8	R274	R274-T286 HydrophobicContact CG-CG2 3.91Å
287	F	88.1	Confident	85.9	Confident	60 Å²	60	67.6 Å²	67.6	26%	0.263	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.6	171.9	176.7	-105	0	0	0	108.3	M1 S272 I273 R289 F294	M1-F287 HydrophobicContact CB-CD2 4.36Å; M1-F287 HydrophobicContact CE-CD1 4.02Å; M1-F287 HydrophobicContact CE-CE1 3.97Å; M1-F287 HydrophobicContact CE-CZ 4.48Å; M1-F287 HydrophobicContact SD-CB 3.98Å; M1-F287 HydrophobicContact SD-CD1 3.35Å; M1-F287 WeakPolarHBondContact SD-CD1 3.48Å; M1-F287 HydrophobicContact SD-CD2 3.54Å; M1-F287 VanDerWaalsContact SD-CD2 3.54Å; M1-F287 HydrophobicContact SD-CE1 3.57Å; M1-F287 VanDerWaalsContact SD-CE1 3.57Å; M1-F287 HydrophobicContact SD-CE2 3.76Å; M1-F287 HydrophobicContact SD-CG 3.32Å; M1-F287 WeakPolarHBondContact SD-CG 3.38Å; M1-F287 HydrophobicContact SD-CZ 3.76Å; S272-F287 CarbonylContact C-O 3.57Å; S272-F287 WeakPolarHBondContact CA-O 3.42Å; S272-F287 VanDerWaalsContact CB-O 3.27Å; S272-F287 WeakPolarHBondContact CB-O 3.46Å; I273-F287 HydrophobicContact CB-CB 4.45Å; I273-F287 HydrophobicContact CD1-CD1 4.33Å; I273-F287 PolarHBondContact N-O 3.32Å; I273-F287 PolarHBondContact O-N 3.49Å; F287-R289 HydrophobicContact CE1-CG 3.83Å; F287-R289 HydrophobicContact CZ-CG 4.02Å; F287-F294 HydrophobicContact CD1-CZ 4.35Å; F287-F294 HydrophobicContact CE1-CZ 4.12Å
288	R	88.3	Confident	86.3	Confident	151 Å²	151	67 Å²	67	57%	0.57	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.4	-178.6	-168.8	175.3	-172.5	167.3	2.2	110.7	K271	K271-R288 WeakPolarHBondContact O-CA 3.45Å
289	R	84.3	Confident	86.7	Confident	44 Å²	44	67.1 Å²	67.1	17%	0.166	34%	0.338	C	S	.	.			trans	-120	145.2	168.6	-74.4	-169.1	162.7	-162	-7.8	110.4	E6 K271 F287 D292 F294	E6-R289 IonicContact OE1-CZ 3.46Å; E6-R289 IonicContact OE1-NH1 3.54Å; E6-R289 PolarHBondContact OE1-NH1 3.46Å; E6-R289 IonicContact OE1-NH2 2.92Å; E6-R289 PolarHBondContact OE1-NH2 3.46Å; E6-R289 IonicContact OE2-CZ 3.99Å; E6-R289 IonicContact OE2-NH2 2.75Å; E6-R289 PolarHBondContact OE2-NH2 3.16Å; K271-R289 WeakPolarHBondContact CB-O 3.41Å; K271-R289 WeakPolarHBondContact CD-O 3.24Å; K271-R289 PolarHBondContact O-N 3.17Å; F287-R289 HydrophobicContact CE1-CG 3.83Å; F287-R289 HydrophobicContact CZ-CG 4.02Å; R289-D292 HydrophobicContact CB-CB 4.26Å; R289-D292 IonicContact NH1-OD2 2.84Å; R289-F294 HydrophobicContact CG-CZ 4.28Å
290	D	80.7	Confident	87.1	Confident	120 Å²	120	64.1 Å²	64.1	64%	0.642	32%	0.316	S	S	*	.	S	Bend	trans	-80.3	-29	-173.7	-62.8	-40.8	0	0	0	113.4	K271	K271-D290 VanDerWaalsContact CD-O 3.27Å; K271-D290 WeakPolarHBondContact CD-O 3.37Å; K271-D290 WeakPolarHBondContact CE-O 3.33Å; K271-D290 PolarHBondContact NZ-O 3.14Å
291	H	82.9	Confident	87.4	Confident	166 Å²	166	61 Å²	61	77%	0.769	31%	0.31	S	S	*	.	S	Bend	trans	-112.3	-7.6	-170.8	-59.5	-63.4	0	0	0	115.1
292	D	87.6	Confident	87.6	Confident	28 Å²	28	59.8 Å²	59.8	15%	0.15	31%	0.314	C	S	.	.			trans	-124.8	118.2	-167	-82.1	-49.8	0	0	0	112.4	K271 R289 H310 G312	K271-D292 WeakPolarHBondContact CA-O 3.15Å; K271-D292 WeakPolarHBondContact CB-O 3.2Å; R289-D292 HydrophobicContact CB-CB 4.26Å; R289-D292 IonicContact NH1-OD2 2.84Å; D292-H310 HydrophobicContact CB-CB 4.05Å; D292-H310 IonicContact OD1-CE1 3.03Å; D292-H310 IonicContact OD1-ND1 3.5Å; D292-H310 PolarHBondContact OD1-ND1 3.36Å; D292-H310 VanDerWaalsContact OD1-ND1 3.11Å; D292-H310 IonicContact OD2-CE1 3.4Å; D292-H310 IonicContact OD2-ND1 3.66Å; D292-H310 PolarHBondContact OD2-ND1 3.08Å; D292-G312 WeakPolarHBondContact OD1-CA 3.48Å; D292-G312 PolarHBondContact OD1-N 3.03Å
293	R	93.6	Very high	87.6	Confident	72 Å²	72	58.7 Å²	58.7	27%	0.272	31%	0.305	S	S	.	.			trans	-78.8	145.5	165.9	-63.1	179.9	-68.8	178.2	-10	110.4	E269 K271 W295 H310 D311	E269-R293 HydrophobicContact CB-CG 4.5Å; E269-R293 IonicContact OE2-CZ 3.35Å; E269-R293 IonicContact OE2-NH1 3.65Å; E269-R293 PolarHBondContact OE2-NH1 2.97Å; K271-R293 HydrophobicContact CG-CG 4.15Å; R293-W295 HydrophobicContact CB-CZ2 4.5Å; R293-W295 VanDerWaalsContact CZ-CZ2 3.42Å; R293-H310 CarbonylContact O-C 3.48Å; R293-H310 WeakPolarHBondContact O-CA 3.32Å; R293-H310 WeakPolarHBondContact O-CB 3.43Å; R293-D311 WeakPolarHBondContact CB-OD2 3.49Å; R293-D311 IonicContact CZ-OD2 2.71Å; R293-D311 PolarHBondContact N-OD2 3.04Å; R293-D311 IonicContact NE-OD2 3.44Å; R293-D311 PolarHBondContact NE-OD2 3.04Å; R293-D311 VanDerWaalsContact NE-OD2 3.11Å; R293-D311 IonicContact NH2-OD2 3.71Å; R293-D311 PolarHBondContact O-N 3.33Å; R293-D311 VanDerWaalsContact O-N 3.11Å
294	F	95.4	Very high	87.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138	176	-68.1	-78.6	0	0	0	110.8	S253 N267 I273 F287 R289 A308 G309 H310 I315	S253-F294 PolarHBondContact OG-O 3.12Å; N267-F294 HydrophobicContact CB-CB 3.63Å; N267-F294 HydrophobicContact CB-CG 4.43Å; I273-F294 HydrophobicContact CD1-CD1 4.01Å; I273-F294 HydrophobicContact CD1-CE1 3.74Å; I273-F294 HydrophobicContact CD1-CE2 4.28Å; I273-F294 HydrophobicContact CD1-CG 4.39Å; I273-F294 HydrophobicContact CD1-CZ 3.89Å; I273-F294 HydrophobicContact CG1-CD1 4.15Å; I273-F294 HydrophobicContact CG1-CD2 3.9Å; I273-F294 HydrophobicContact CG1-CE1 4.18Å; I273-F294 HydrophobicContact CG1-CE2 3.94Å; I273-F294 HydrophobicContact CG1-CG 4.01Å; I273-F294 HydrophobicContact CG1-CZ 4.08Å; F287-F294 HydrophobicContact CD1-CZ 4.35Å; F287-F294 HydrophobicContact CE1-CZ 4.12Å; R289-F294 HydrophobicContact CG-CZ 4.28Å; F294-A308 HydrophobicContact CD1-CB 3.77Å; F294-A308 HydrophobicContact CE1-CB 3.99Å; F294-G309 WeakPolarHBondContact CA-O 3.27Å; F294-H310 HydrophobicContact CD1-CB 3.75Å; F294-H310 HydrophobicContact CE1-CB 3.93Å; F294-H310 HydrophobicContact CG-CB 4.42Å; F294-I315 HydrophobicContact CE1-CG2 4.12Å
295	W	95.3	Very high	88.1	Confident	44 Å²	44	53.6 Å²	53.6	17%	0.167	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-36.9	-172.8	-62.8	104.9	0	0	0	113.7	K13 S253 E269 R293 G309 D311	K13-W295 HydrophobicContact CD-CB 4.24Å; K13-W295 HydrophobicContact CD-CG 4.21Å; S253-W295 WeakPolarHBondContact CB-O 3.36Å; E269-W295 HydrophobicContact CG-CZ3 4.26Å; E269-W295 WeakPolarHBondContact OE1-CZ3 3.31Å; R293-W295 HydrophobicContact CB-CZ2 4.5Å; R293-W295 VanDerWaalsContact CZ-CZ2 3.42Å; W295-G309 PolarHBondContact N-O 3.02Å; W295-D311 PolarHBondContact NE1-OD1 2.98Å
296	V	95.9	Very high	88.6	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.1	-174.7	60.8	0	0	0	0	111.1	K13 L15 N267 A308 G309	K13-V296 WeakPolarHBondContact O-CB 3.43Å; K13-V296 WeakPolarHBondContact O-CG1 3.4Å; L15-V296 HydrophobicContact CB-CG1 4.4Å; L15-V296 HydrophobicContact CD1-CG1 3.87Å; L15-V296 HydrophobicContact CG-CG1 3.74Å; N267-V296 WeakPolarHBondContact ND2-CA 3.24Å; N267-V296 PolarHBondContact ND2-N 3.36Å; N267-V296 PolarHBondContact ND2-O 3.43Å; V296-A308 WeakPolarHBondContact O-CA 3.24Å; V296-G309 PolarHBondContact O-N 2.92Å
297	L	95.8	Very high	88.9	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	144	170.3	-72.3	170.7	0	0	0	109.8	C254 V256 L265 N267 I273 A307 A308	C254-L297 HydrophobicContact CB-CB 4.44Å; V256-L297 HydrophobicContact CG1-CB 4.39Å; V256-L297 HydrophobicContact CG2-CB 4Å; V256-L297 HydrophobicContact CG2-CD1 4.28Å; L265-L297 HydrophobicContact CB-CD1 4.15Å; N267-L297 HydrophobicContact CB-CD1 3.79Å; N267-L297 HydrophobicContact CB-CD2 4.28Å; N267-L297 HydrophobicContact CB-CG 3.86Å; I273-L297 HydrophobicContact CD1-CD2 4.45Å; L297-A307 CarbonylContact C-O 3.59Å; L297-A307 WeakPolarHBondContact CA-O 3.46Å; L297-A308 HydrophobicContact CD2-CB 3.56Å
298	A	94.6	Very high	89.2	Confident	13 Å²	13	44.5 Å²	44.5	11%	0.107	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.2	168.8	0	0	0	0	0	109.9	L15 F17 F306 A307	L15-A298 HydrophobicContact CB-CB 3.82Å; F17-A298 HydrophobicContact CD2-CB 4.22Å; F17-A298 HydrophobicContact CE2-CB 4.35Å; A298-F306 CarbonylContact O-C 3.56Å; A298-F306 WeakPolarHBondContact O-CA 3.39Å; A298-A307 PolarHBondContact N-O 3.11Å; A298-A307 PolarHBondContact O-N 2.76Å
299	A	92.3	Very high	89.6	Confident	31 Å²	31	37.3 Å²	37.3	26%	0.256	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.5	171.6	0	0	0	0	0	109.5	P259 F306	P259-A299 HydrophobicContact CG-CB 4.03Å; A299-F306 HydrophobicContact CB-CD1 3.85Å; A299-F306 HydrophobicContact CB-CE1 3.63Å
300	H	89.9	Confident	90.1	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	18%	0.184	C	C	.	.			trans	-71	135.3	173.6	-172.1	-66	0	0	0	109.6	F17 P259 N302 L303 L305	F17-H300 AromaticContact CD1-CD2 3.77Å; F17-H300 HydrophobicContact CD2-CB 3.88Å; F17-H300 HydrophobicContact CE2-CB 4.11Å; F17-H300 HydrophobicContact CG-CB 4.1Å; F17-H300 AromaticContact CG-CD2 3.84Å; P259-H300 WeakPolarHBondContact CG-O 3.37Å; H300-N302 PolarHBondContact ND1-N 2.66Å; H300-N302 PolarHBondContact O-N 3.25Å; H300-L303 HydrophobicContact CB-CB 4.28Å; H300-L303 PolarHBondContact ND1-N 3.33Å; H300-L305 HydrophobicContact CB-CB 3.83Å; H300-L305 WeakPolarHBondContact CB-O 3.41Å; H300-L305 PolarHBondContact N-O 3.2Å
301	P	80.3	Confident	90.8	Very high	70 Å²	70	31.2 Å²	31.2	46%	0.455	16%	0.162	S	C	.	.	S	Bend	trans	-55.5	-44.6	-174.2	-28.6	34.2	0	0	0	114.6
302	N	78.9	Confident	91.2	Very high	110 Å²	110	24.5 Å²	24.5	59%	0.588	14%	0.138	S	C	*	.	S	Bend	trans	-112.5	-17.9	-172.6	-60.4	-20.4	0	0	0	115.5	H300	H300-N302 PolarHBondContact ND1-N 2.66Å; H300-N302 PolarHBondContact O-N 3.25Å
303	L	81.3	Confident	91.4	Very high	55 Å²	55	23.2 Å²	23.2	29%	0.288	13%	0.131	S	C	.	.	S	Bend	trans	-110	149.1	-170.8	-61.5	179.2	0	0	0	109.4	H300 L305	H300-L303 HydrophobicContact CB-CB 4.28Å; H300-L303 PolarHBondContact ND1-N 3.33Å; L303-L305 HydrophobicContact CB-CB 4.34Å; L303-L305 HydrophobicContact CB-CD1 4.08Å; L303-L305 HydrophobicContact CB-CG 4.33Å; L303-L305 HydrophobicContact CD1-CD1 3.85Å; L303-L305 PolarHBondContact O-N 3.38Å
304	N	83.3	Confident	91.4	Very high	9 Å²	9	19.8 Å²	19.8	5%	0.048	12%	0.118	C	C	.	.	S	Bend	trans	-73.8	74.2	167.6	-172.4	-13.9	0	0	0	109.2	H258 F306 K318 E320 E322	H258-N304 PolarHBondContact NE2-OD1 2.76Å; N304-F306 WeakPolarHBondContact OD1-CE2 3.38Å; N304-K318 WeakPolarHBondContact O-CD 3.49Å; N304-K318 WeakPolarHBondContact O-CE 3.28Å; N304-K318 VanDerWaalsContact O-CG 3.26Å; N304-K318 WeakPolarHBondContact O-CG 3.37Å; N304-E320 WeakPolarHBondContact ND2-CG 3.49Å; N304-E320 PolarHBondContact ND2-OE1 3.49Å; N304-E322 WeakPolarHBondContact CB-OE1 3.43Å
305	L	89	Confident	91.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	12%	0.118	C	C	.	.			trans	-140.5	132.9	179.5	-83.8	169.5	0	0	0	108.4	K4 F17 Y38 H300 L303 V316 K318	K4-L305 HydrophobicContact CD-CD2 3.76Å; F17-L305 HydrophobicContact CZ-CB 4.46Å; Y38-L305 HydrophobicContact CE2-CD1 3.85Å; H300-L305 HydrophobicContact CB-CB 3.83Å; H300-L305 WeakPolarHBondContact CB-O 3.41Å; H300-L305 PolarHBondContact N-O 3.2Å; L303-L305 HydrophobicContact CB-CB 4.34Å; L303-L305 HydrophobicContact CB-CD1 4.08Å; L303-L305 HydrophobicContact CB-CG 4.33Å; L303-L305 HydrophobicContact CD1-CD1 3.85Å; L303-L305 PolarHBondContact O-N 3.38Å; L305-V316 HydrophobicContact CD2-CG1 4Å; L305-K318 HydrophobicContact CD2-CD 4.28Å; L305-K318 HydrophobicContact CD2-CG 3.74Å; L305-K318 HydrophobicContact CG-CG 4.46Å
306	F	93.4	Very high	91.2	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.7	177.5	-62	-80.4	0	0	0	109	H258 L265 A298 A299 N304 V316 F317 L319	H258-F306 HydrophobicContact CB-CZ 4.27Å; H258-F306 AromaticContact CD2-CE2 3.57Å; H258-F306 AromaticContact CD2-CZ 3.2Å; H258-F306 WeakPolarHBondContact CD2-CZ 3.31Å; H258-F306 AromaticContact CG-CZ 3.77Å; H258-F306 AromaticContact NE2-CE2 3.7Å; H258-F306 AromaticContact NE2-CZ 3.63Å; L265-F306 HydrophobicContact CD1-CD1 4.31Å; L265-F306 HydrophobicContact CD1-CE1 3.82Å; L265-F306 HydrophobicContact CD1-CZ 3.99Å; L265-F306 HydrophobicContact CD2-CB 4.3Å; L265-F306 HydrophobicContact CD2-CD1 3.72Å; L265-F306 HydrophobicContact CD2-CD2 4.04Å; L265-F306 HydrophobicContact CD2-CE1 4.06Å; L265-F306 HydrophobicContact CD2-CE2 4.37Å; L265-F306 HydrophobicContact CD2-CG 3.72Å; L265-F306 HydrophobicContact CD2-CZ 4.4Å; A298-F306 CarbonylContact O-C 3.56Å; A298-F306 WeakPolarHBondContact O-CA 3.39Å; A299-F306 HydrophobicContact CB-CD1 3.85Å; A299-F306 HydrophobicContact CB-CE1 3.63Å; N304-F306 WeakPolarHBondContact OD1-CE2 3.38Å; F306-V316 CarbonylContact O-C 3.59Å; F306-V316 VanDerWaalsContact O-CA 3.29Å; F306-V316 WeakPolarHBondContact O-CA 3.29Å; F306-F317 HydrophobicContact CB-CD1 4.22Å; F306-F317 HydrophobicContact CB-CD2 4.13Å; F306-F317 HydrophobicContact CB-CE1 3.78Å; F306-F317 HydrophobicContact CB-CE2 3.69Å; F306-F317 HydrophobicContact CB-CG 4.4Å; F306-F317 HydrophobicContact CB-CZ 3.51Å; F306-F317 HydrophobicContact CD2-CE2 4.36Å; F306-F317 HydrophobicContact CG-CE2 4.28Å; F306-F317 HydrophobicContact CG-CZ 4.39Å; F306-F317 PolarHBondContact N-O 3.32Å; F306-F317 PolarHBondContact O-N 3.03Å; F306-L319 HydrophobicContact CD2-CG 4.13Å; F306-L319 HydrophobicContact CE2-CD1 4.05Å; F306-L319 HydrophobicContact CE2-CG 3.98Å
307	A	95.3	Very high	91	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142	170.9	0	0	0	0	0	109.8	L15 F17 I24 L297 A298 I315 V316	L15-A307 HydrophobicContact CD1-CB 3.76Å; F17-A307 HydrophobicContact CE2-CB 3.76Å; F17-A307 HydrophobicContact CZ-CB 3.65Å; I24-A307 HydrophobicContact CD1-CB 3.31Å; L297-A307 CarbonylContact C-O 3.59Å; L297-A307 WeakPolarHBondContact CA-O 3.46Å; A298-A307 PolarHBondContact N-O 3.11Å; A298-A307 PolarHBondContact O-N 2.76Å; A307-I315 CarbonylContact C-O 3.53Å; A307-I315 VanDerWaalsContact CA-O 3.22Å; A307-I315 WeakPolarHBondContact CA-O 3.3Å; A307-V316 HydrophobicContact CB-CG2 4.01Å
308	A	95.7	Very high	90.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.4	173.5	0	0	0	0	0	110.3	I273 F294 V296 L297 M314 I315 F317	I273-A308 HydrophobicContact CD1-CB 3.56Å; F294-A308 HydrophobicContact CD1-CB 3.77Å; F294-A308 HydrophobicContact CE1-CB 3.99Å; V296-A308 WeakPolarHBondContact O-CA 3.24Å; L297-A308 HydrophobicContact CD2-CB 3.56Å; A308-M314 WeakPolarHBondContact O-CA 3.18Å; A308-I315 HydrophobicContact CB-CG2 3.79Å; A308-I315 PolarHBondContact N-O 2.98Å; A308-I315 PolarHBondContact O-N 3.44Å; A308-F317 HydrophobicContact CB-CE1 4.02Å
309	G	95.8	Very high	89.9	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.6	174.2	0	0	0	0	0	109.6	L15 F294 W295 V296	L15-G309 VanDerWaalsContact CD1-N 3.32Å; F294-G309 WeakPolarHBondContact CA-O 3.27Å; W295-G309 PolarHBondContact N-O 3.02Å; V296-G309 PolarHBondContact O-N 2.92Å
310	H	95.2	Very high	89.1	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.009	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	178.9	-179.8	61	90.1	0	0	0	112.3	R11 V12 D292 R293 F294 G312 G313	R11-H310 WeakPolarHBondContact CA-O 3.27Å; V12-H310 PolarHBondContact N-O 3.45Å; V12-H310 VanDerWaalsContact N-O 3.1Å; D292-H310 HydrophobicContact CB-CB 4.05Å; D292-H310 IonicContact OD1-CE1 3.03Å; D292-H310 IonicContact OD1-ND1 3.5Å; D292-H310 PolarHBondContact OD1-ND1 3.36Å; D292-H310 VanDerWaalsContact OD1-ND1 3.11Å; D292-H310 IonicContact OD2-CE1 3.4Å; D292-H310 IonicContact OD2-ND1 3.66Å; D292-H310 PolarHBondContact OD2-ND1 3.08Å; R293-H310 CarbonylContact O-C 3.48Å; R293-H310 WeakPolarHBondContact O-CA 3.32Å; R293-H310 WeakPolarHBondContact O-CB 3.43Å; F294-H310 HydrophobicContact CD1-CB 3.75Å; F294-H310 HydrophobicContact CE1-CB 3.93Å; F294-H310 HydrophobicContact CG-CB 4.42Å; H310-G312 PolarHBondContact ND1-N 3.05Å; H310-G312 PolarHBondContact O-N 3.27Å; H310-G313 PolarHBondContact CD2-O 3.46Å; H310-G313 PolarHBondContact CE1-N 2.76Å; H310-G313 VanDerWaalsContact CE1-N 3.31Å; H310-G313 PolarHBondContact N-O 2.91Å; H310-G313 PolarHBondContact ND1-N 2.82Å; H310-G313 PolarHBondContact O-N 2.84Å
311	D	94.3	Very high	88.6	Confident	34 Å²	34	23.3 Å²	23.3	18%	0.182	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-46.1	-179.2	-79.3	-33.8	0	0	0	113.1	R11 R293 W295	R11-D311 WeakPolarHBondContact CA-O 3.39Å; R11-D311 IonicContact CZ-OD1 3.67Å; R11-D311 PolarHBondContact N-O 3.09Å; R11-D311 IonicContact NE-OD1 2.7Å; R11-D311 PolarHBondContact NE-OD1 3.11Å; R11-D311 IonicContact NH2-OD1 2.88Å; R11-D311 PolarHBondContact NH2-OD1 3.49Å; R293-D311 WeakPolarHBondContact CB-OD2 3.49Å; R293-D311 IonicContact CZ-OD2 2.71Å; R293-D311 PolarHBondContact N-OD2 3.04Å; R293-D311 IonicContact NE-OD2 3.44Å; R293-D311 PolarHBondContact NE-OD2 3.04Å; R293-D311 VanDerWaalsContact NE-OD2 3.11Å; R293-D311 IonicContact NH2-OD2 3.71Å; R293-D311 PolarHBondContact O-N 3.33Å; R293-D311 VanDerWaalsContact O-N 3.11Å; W295-D311 PolarHBondContact NE1-OD1 2.98Å
312	G	91.6	Very high	88.5	Confident	26 Å²	26	21.8 Å²	21.8	27%	0.268	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	3.6	178.5	0	0	0	0	0	117	K8 S9 D292 H310	K8-G312 CarbonylContact C-O 3.52Å; K8-G312 VanDerWaalsContact CA-O 3.26Å; K8-G312 WeakPolarHBondContact CA-O 3.44Å; S9-G312 PolarHBondContact N-O 3.25Å; S9-G312 CarbonylContact O-C 3.52Å; S9-G312 VanDerWaalsContact O-O 3.11Å; D292-G312 WeakPolarHBondContact OD1-CA 3.48Å; D292-G312 PolarHBondContact OD1-N 3.03Å; H310-G312 PolarHBondContact ND1-N 3.05Å; H310-G312 PolarHBondContact O-N 3.27Å
313	G	93.1	Very high	88.7	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.1	-141.1	179.4	0	0	0	0	0	115.4	T7 S9 V12 H310	T7-G313 WeakPolarHBondContact O-CA 3.21Å; S9-G313 WeakPolarHBondContact OG-CA 3.19Å; V12-G313 VanDerWaalsContact CG2-C 3.43Å; V12-G313 WeakPolarHBondContact CG2-O 3.41Å; H310-G313 PolarHBondContact CD2-O 3.46Å; H310-G313 PolarHBondContact CE1-N 2.76Å; H310-G313 VanDerWaalsContact CE1-N 3.31Å; H310-G313 PolarHBondContact N-O 2.91Å; H310-G313 PolarHBondContact ND1-N 2.82Å; H310-G313 PolarHBondContact O-N 2.84Å
314	M	93.9	Very high	89	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.1	178.8	90.6	-174.4	81.5	0	0	111.9	F5 E6 T7 V12 L15 I24 T26 W36 A308	F5-M314 HydrophobicContact CD1-SD 4.47Å; F5-M314 HydrophobicContact CE1-CE 4.44Å; F5-M314 HydrophobicContact CE1-CG 4.37Å; F5-M314 HydrophobicContact CE1-SD 3.82Å; E6-M314 WeakPolarHBondContact CA-O 3.36Å; T7-M314 HydrophobicContact CG2-CE 4.37Å; T7-M314 PolarHBondContact N-O 3.48Å; T7-M314 PolarHBondContact O-N 3.49Å; T7-M314 WeakPolarHBondContact OG1-CE 3.35Å; V12-M314 HydrophobicContact CG2-CB 4.21Å; L15-M314 HydrophobicContact CD2-CB 4.41Å; I24-M314 HydrophobicContact CD1-SD 4.31Å; I24-M314 HydrophobicContact CG2-SD 3.96Å; T26-M314 HydrophobicContact CG2-CE 3.06Å; T26-M314 HydrophobicContact CG2-CG 4.49Å; T26-M314 HydrophobicContact CG2-SD 3.23Å; T26-M314 WeakPolarHBondContact CG2-SD 3.19Å; T26-M314 WeakPolarHBondContact OG1-CE 3.49Å; W36-M314 VanDerWaalsContact CD1-CE 3.44Å; W36-M314 HydrophobicContact CG-CE 4.06Å; A308-M314 WeakPolarHBondContact O-CA 3.18Å
315	I	93.5	Very high	89.3	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.2	170.3	-176.3	166.7	0	0	0	111	M1 T3 F294 A307 A308 F317	M1-I315 HydrophobicContact CE-CD1 3.66Å; M1-I315 HydrophobicContact CE-CG1 4.16Å; M1-I315 HydrophobicContact CE-CG2 4.25Å; T3-I315 HydrophobicContact CG2-CD1 3.67Å; T3-I315 HydrophobicContact CG2-CG1 3.78Å; F294-I315 HydrophobicContact CE1-CG2 4.12Å; A307-I315 CarbonylContact C-O 3.53Å; A307-I315 VanDerWaalsContact CA-O 3.22Å; A307-I315 WeakPolarHBondContact CA-O 3.3Å; A308-I315 HydrophobicContact CB-CG2 3.79Å; A308-I315 PolarHBondContact N-O 2.98Å; A308-I315 PolarHBondContact O-N 3.44Å; I315-F317 HydrophobicContact CG1-CD1 4.49Å; I315-F317 HydrophobicContact CG2-CD1 4.41Å
316	V	93	Very high	89.4	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.7	170.6	178.7	0	0	0	0	109	K4 F5 F17 I24 L305 F306 A307	K4-V316 WeakPolarHBondContact CA-O 3.49Å; K4-V316 WeakPolarHBondContact CB-O 3.47Å; K4-V316 PolarHBondContact N-O 3.04Å; F5-V316 HydrophobicContact CB-CB 4.17Å; F5-V316 HydrophobicContact CD1-CB 4.27Å; F5-V316 HydrophobicContact CD1-CG2 3.82Å; F5-V316 PolarHBondContact N-O 3.4Å; F5-V316 VanDerWaalsContact N-O 3.16Å; F5-V316 PolarHBondContact O-N 2.9Å; F17-V316 HydrophobicContact CE1-CG1 4.38Å; F17-V316 HydrophobicContact CZ-CG1 4.18Å; I24-V316 HydrophobicContact CD1-CG2 3.87Å; L305-V316 HydrophobicContact CD2-CG1 4Å; F306-V316 CarbonylContact O-C 3.59Å; F306-V316 VanDerWaalsContact O-CA 3.29Å; F306-V316 WeakPolarHBondContact O-CA 3.29Å; A307-V316 HydrophobicContact CB-CG2 4.01Å
317	F	91.1	Very high	89.2	Confident	2 Å²	2	18.5 Å²	18.5	1%	0.009	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	169.1	-170.3	65.1	-85.4	0	0	0	113.5	M1 L2 L265 I273 F306 A308 I315 L319	M1-F317 HydrophobicContact CE-CB 3.59Å; M1-F317 HydrophobicContact CE-CD1 3.14Å; M1-F317 HydrophobicContact CE-CD2 3.59Å; M1-F317 HydrophobicContact CE-CE1 3.55Å; M1-F317 HydrophobicContact CE-CE2 3.95Å; M1-F317 HydrophobicContact CE-CG 3.14Å; M1-F317 HydrophobicContact CE-CZ 3.92Å; M1-F317 HydrophobicContact CG-CB 3.8Å; M1-F317 HydrophobicContact CG-CD2 3.52Å; M1-F317 HydrophobicContact CG-CE2 4.23Å; M1-F317 HydrophobicContact CG-CG 3.8Å; M1-F317 HydrophobicContact SD-CB 4.48Å; M1-F317 HydrophobicContact SD-CD2 4.23Å; M1-F317 HydrophobicContact SD-CG 4.23Å; L2-F317 CarbonylContact O-C 3.56Å; L2-F317 VanDerWaalsContact O-CA 3.31Å; L2-F317 WeakPolarHBondContact O-CA 3.3Å; L265-F317 HydrophobicContact CD2-CE2 4.08Å; L265-F317 HydrophobicContact CD2-CZ 4.13Å; I273-F317 HydrophobicContact CD1-CE1 4.09Å; I273-F317 HydrophobicContact CD1-CZ 4.12Å; I273-F317 HydrophobicContact CG2-CZ 4.41Å; F306-F317 HydrophobicContact CB-CD1 4.22Å; F306-F317 HydrophobicContact CB-CD2 4.13Å; F306-F317 HydrophobicContact CB-CE1 3.78Å; F306-F317 HydrophobicContact CB-CE2 3.69Å; F306-F317 HydrophobicContact CB-CG 4.4Å; F306-F317 HydrophobicContact CB-CZ 3.51Å; F306-F317 HydrophobicContact CD2-CE2 4.36Å; F306-F317 HydrophobicContact CG-CE2 4.28Å; F306-F317 HydrophobicContact CG-CZ 4.39Å; F306-F317 PolarHBondContact N-O 3.32Å; F306-F317 PolarHBondContact O-N 3.03Å; A308-F317 HydrophobicContact CB-CE1 4.02Å; I315-F317 HydrophobicContact CG1-CD1 4.49Å; I315-F317 HydrophobicContact CG2-CD1 4.41Å; F317-L319 HydrophobicContact CD2-CD2 4.33Å; F317-L319 HydrophobicContact CE2-CD2 3.96Å
318	K	86.9	Confident	88.9	Confident	22 Å²	22	21.1 Å²	21.1	10%	0.096	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.3	171.8	-55.1	-164.3	166.5	-142.7	0	111	L2 N304 L305 E322	L2-K318 HydrophobicContact CB-CB 4.39Å; L2-K318 PolarHBondContact N-O 2.97Å; L2-K318 PolarHBondContact O-N 3.14Å; N304-K318 WeakPolarHBondContact O-CD 3.49Å; N304-K318 WeakPolarHBondContact O-CE 3.28Å; N304-K318 VanDerWaalsContact O-CG 3.26Å; N304-K318 WeakPolarHBondContact O-CG 3.37Å; L305-K318 HydrophobicContact CD2-CD 4.28Å; L305-K318 HydrophobicContact CD2-CG 3.74Å; L305-K318 HydrophobicContact CG-CG 4.46Å; K318-E322 IonicContact NZ-OE1 3.01Å; K318-E322 PolarHBondContact NZ-OE1 3.34Å; K318-E322 IonicContact NZ-OE2 3.24Å; K318-E322 PolarHBondContact NZ-OE2 3.01Å
319	L	80.5	Confident	88.5	Confident	23 Å²	23	25.6 Å²	25.6	12%	0.12	13%	0.13	C	C	.	.	S	Bend	trans	-84.8	-38.5	174.6	-62.1	-174.3	0	0	0	112.5	L263 L265 V275 F306 F317	L263-L319 HydrophobicContact CD1-CD1 3.99Å; L265-L319 HydrophobicContact CD1-CD1 4.19Å; L265-L319 HydrophobicContact CD2-CD1 4.32Å; L265-L319 HydrophobicContact CD2-CD2 4.28Å; L265-L319 HydrophobicContact CG-CD1 4.49Å; V275-L319 HydrophobicContact CG1-CD1 4.14Å; V275-L319 HydrophobicContact CG2-CD1 4.38Å; V275-L319 HydrophobicContact CG2-CD2 3.85Å; F306-L319 HydrophobicContact CD2-CG 4.13Å; F306-L319 HydrophobicContact CE2-CD1 4.05Å; F306-L319 HydrophobicContact CE2-CG 3.98Å; F317-L319 HydrophobicContact CD2-CD2 4.33Å; F317-L319 HydrophobicContact CE2-CD2 3.96Å
320	E	76.1	Confident	88	Confident	69 Å²	69	27.9 Å²	27.9	32%	0.322	15%	0.153	S	C	.	.	S	Bend	trans	-131.7	166.8	-174.4	58.3	178.5	-167.3	0	0	112.9	Q261 N304	Q261-E320 PolarHBondContact NE2-OE1 3.03Å; Q261-E320 PolarHBondContact NE2-OE2 3.43Å; N304-E320 WeakPolarHBondContact ND2-CG 3.49Å; N304-E320 PolarHBondContact ND2-OE1 3.49Å
321	R	77.7	Confident	87.6	Confident	65 Å²	65	30.6 Å²	30.6	25%	0.245	17%	0.168	C	C	.	.			trans	-93	119.3	176.8	179	-179.5	179.6	-135.5	9.6	109.6	L2 R323 F366 Y493	L2-R321 HydrophobicContact CD1-CB 4.25Å; R321-R323 VanDerWaalsContact C-N 3.34Å; R321-R323 HydrophobicContact CG-CB 4.13Å; R321-R323 PolarHBondContact O-N 3.25Å; R321-F366 PolarHBondContact NH1-O 3.35Å; R321-Y493 PolarHBondContact NH2-OH 2.8Å
322	E	78.3	Confident	87.4	Confident	39 Å²	39	32.6 Å²	32.6	18%	0.182	18%	0.177	C	C	.	.			trans	-88	13.8	179.5	-57.2	163.5	166.8	0	0	114.1	N304 K318 P324 R592	N304-E322 WeakPolarHBondContact CB-OE1 3.43Å; K318-E322 IonicContact NZ-OE1 3.01Å; K318-E322 PolarHBondContact NZ-OE1 3.34Å; K318-E322 IonicContact NZ-OE2 3.24Å; K318-E322 PolarHBondContact NZ-OE2 3.01Å; E322-P324 WeakPolarHBondContact O-CD 3.35Å; E322-R592 HydrophobicContact CB-CB 4.45Å; E322-R592 HydrophobicContact CB-CG 4.49Å; E322-R592 IonicContact OE1-NH1 3.84Å; E322-R592 VanDerWaalsContact OE2-CD 3.25Å; E322-R592 WeakPolarHBondContact OE2-CD 3.38Å; E322-R592 IonicContact OE2-CZ 2.95Å; E322-R592 IonicContact OE2-NE 3.32Å; E322-R592 PolarHBondContact OE2-NE 2.82Å; E322-R592 IonicContact OE2-NH1 2.74Å; E322-R592 PolarHBondContact OE2-NH1 3.45Å
323	R	84.3	Confident	87.3	Confident	38 Å²	38	31.5 Å²	31.5	14%	0.143	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-84.5	123	-178.2	175.7	163.2	173	170.8	-12.1	109.7	R321 Y493 K540 Y578	R321-R323 VanDerWaalsContact C-N 3.34Å; R321-R323 HydrophobicContact CG-CB 4.13Å; R321-R323 PolarHBondContact O-N 3.25Å; R323-Y493 VanDerWaalsContact NH1-CE1 3.25Å; R323-Y493 PolarHBondContact NH1-OH 2.95Å; R323-K540 PolarHBondContact NH1-O 2.89Å; R323-Y578 HydrophobicContact CB-CE1 3.9Å; R323-Y578 HydrophobicContact CG-CD1 3.93Å; R323-Y578 HydrophobicContact CG-CE1 3.57Å
324	P	87.6	Confident	87.3	Confident	7 Å²	7	31.5 Å²	31.5	5%	0.045	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-63.1	141.2	175.4	-19.5	31.1	0	0	0	111.9	E322 Y578 L590 D591 C594	E322-P324 WeakPolarHBondContact O-CD 3.35Å; P324-Y578 VanDerWaalsContact CD-CE2 3.42Å; P324-Y578 HydrophobicContact CG-CD2 3.94Å; P324-Y578 HydrophobicContact CG-CE2 4.33Å; P324-L590 HydrophobicContact CB-CD1 3.91Å; P324-L590 HydrophobicContact CG-CB 4.09Å; P324-L590 HydrophobicContact CG-CD1 4.39Å; P324-D591 WeakPolarHBondContact CG-O 2.86Å; P324-C594 HydrophobicContact CB-CB 4.5Å; P324-C594 HydrophobicContact CG-CB 4.44Å
325	A	88.4	Confident	87.2	Confident	7 Å²	7	31.5 Å²	31.5	6%	0.058	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-89	121.6	166.9	0	0	0	0	0	108.7	Y335 V336 V365 M368	A325-Y335 WeakPolarHBondContact O-CA 3.4Å; A325-V336 PolarHBondContact O-N 3.5Å; A325-V365 HydrophobicContact CB-CB 4.17Å; A325-V365 HydrophobicContact CB-CG1 3.7Å; A325-M368 HydrophobicContact CB-CB 4.28Å
326	Y	91.7	Very high	86.9	Confident	40 Å²	40	32.1 Å²	32.1	16%	0.157	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.4	-177.5	69.6	-90.1	0	0	0	111.2	V328 L333 H334 V579 T580 L590	Y326-V328 HydrophobicContact CD2-CG2 4.19Å; Y326-V328 HydrophobicContact CE2-CG2 4.43Å; Y326-L333 HydrophobicContact CD2-CD1 3.93Å; Y326-L333 HydrophobicContact CG-CD1 4.25Å; Y326-H334 CarbonylContact C-O 3.58Å; Y326-H334 WeakPolarHBondContact CA-O 3.42Å; Y326-H334 WeakPolarHBondContact CB-O 3.45Å; Y326-V579 PolarHBondContact OH-O 3.28Å; Y326-T580 HydrophobicContact CD1-CG2 4.37Å; Y326-T580 HydrophobicContact CD2-CG2 3.77Å; Y326-T580 HydrophobicContact CE1-CG2 4.35Å; Y326-T580 HydrophobicContact CE2-CG2 3.75Å; Y326-T580 HydrophobicContact CG-CG2 4.1Å; Y326-L590 HydrophobicContact CD1-CD1 4.23Å; Y326-L590 HydrophobicContact CG-CD1 4.28Å
327	A	90.3	Very high	86.6	Confident	14 Å²	14	35 Å²	35	12%	0.116	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.5	170.7	0	0	0	0	0	108.7	H334 M368	A327-H334 PolarHBondContact N-O 3.42Å; A327-H334 PolarHBondContact O-N 3.13Å; A327-M368 HydrophobicContact CB-CE 3.83Å; A327-M368 HydrophobicContact CB-CG 4.32Å
328	V	89.1	Confident	86	Confident	55 Å²	55	41.6 Å²	41.6	33%	0.333	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.8	179.3	177.2	0	0	0	0	108.6	Y326 L333 F346	Y326-V328 HydrophobicContact CD2-CG2 4.19Å; Y326-V328 HydrophobicContact CE2-CG2 4.43Å; V328-L333 HydrophobicContact CG2-CD1 3.61Å; V328-F346 HydrophobicContact CG1-CE2 3.89Å; V328-F346 HydrophobicContact CG1-CZ 4.34Å; V328-F346 HydrophobicContact CG2-CZ 4.32Å
329	H	86.7	Confident	85.7	Confident	95 Å²	95	46.9 Å²	46.9	44%	0.44	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	125.8	170.2	-177	74	0	0	0	109.9	N331 M332 Y370 P372	H329-N331 PolarHBondContact O-N 3.44Å; H329-M332 PolarHBondContact N-O 2.54Å; H329-M332 VanDerWaalsContact N-O 3.07Å; H329-M332 PolarHBondContact O-N 2.95Å; H329-M332 VanDerWaalsContact O-N 3.08Å; H329-Y370 HydrophobicContact CB-CD1 3.72Å; H329-Y370 HydrophobicContact CB-CE1 3.9Å; H329-P372 WeakPolarHBondContact NE2-CB 3.5Å
330	G	84.5	Confident	86	Confident	47 Å²	47	49 Å²	49	49%	0.485	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-134.9	-171.4	0	0	0	0	0	110.8	M332 R581	G330-M332 VanDerWaalsContact C-N 3.28Å; G330-M332 PolarHBondContact O-N 3.2Å; G330-R581 VanDerWaalsContact C-NH1 3.27Å; G330-R581 PolarHBondContact O-NH1 3.05Å
331	N	86.9	Confident	86.6	Confident	60 Å²	60	45.7 Å²	45.7	32%	0.321	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	9.2	179.8	-65.4	-19.4	0	0	0	114.5	H329 F346 N347 R581	H329-N331 PolarHBondContact O-N 3.44Å; N331-F346 WeakPolarHBondContact O-CD2 3.45Å; N331-F346 PolarHBondContact O-N 3.01Å; N331-N347 PolarHBondContact ND2-ND2 2.98Å; N331-R581 PolarHBondContact OD1-NH1 3.36Å
332	M	89.8	Confident	87.2	Confident	76 Å²	76	45.4 Å²	45.4	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.5	-177.2	-59.2	176.5	135.4	0	0	111.4	H329 G330 Q343	H329-M332 PolarHBondContact N-O 2.54Å; H329-M332 VanDerWaalsContact N-O 3.07Å; H329-M332 PolarHBondContact O-N 2.95Å; H329-M332 VanDerWaalsContact O-N 3.08Å; G330-M332 VanDerWaalsContact C-N 3.28Å; G330-M332 PolarHBondContact O-N 3.2Å; M332-Q343 HydrophobicContact CB-CG 4.48Å
333	L	91	Very high	87.7	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.3	168.6	171.9	68.6	0	0	0	108.9	Y326 V328 Y335 Q343 L344 F346 T580 L590	Y326-L333 HydrophobicContact CD2-CD1 3.93Å; Y326-L333 HydrophobicContact CG-CD1 4.25Å; V328-L333 HydrophobicContact CG2-CD1 3.61Å; L333-Y335 HydrophobicContact CD2-CD1 4.09Å; L333-Y335 HydrophobicContact CG-CD1 4.02Å; L333-Q343 CarbonylContact O-C 3.2Å; L333-Q343 WeakPolarHBondContact O-CA 3.42Å; L333-L344 HydrophobicContact CB-CB 4.2Å; L333-L344 HydrophobicContact CD2-CB 4.42Å; L333-L344 HydrophobicContact CD2-CD2 3.94Å; L333-L344 PolarHBondContact N-O 2.93Å; L333-L344 PolarHBondContact O-N 3.21Å; L333-F346 HydrophobicContact CB-CE1 3.87Å; L333-F346 HydrophobicContact CB-CE2 4.32Å; L333-F346 HydrophobicContact CB-CZ 3.62Å; L333-F346 HydrophobicContact CD2-CE1 4.29Å; L333-F346 HydrophobicContact CG-CZ 4.49Å; L333-T580 HydrophobicContact CD1-CG2 3.86Å; L333-T580 HydrophobicContact CD2-CG2 4.19Å; L333-L590 HydrophobicContact CD2-CD1 4.4Å; L333-L590 HydrophobicContact CD2-CD2 4.15Å; L333-L590 HydrophobicContact CD2-CG 4.3Å
334	H	91.1	Very high	88	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.9	167.1	-61.6	82.8	0	0	0	108.1	Y326 A327 L341 R342 Q343 M368 Y370	Y326-H334 CarbonylContact C-O 3.58Å; Y326-H334 WeakPolarHBondContact CA-O 3.42Å; Y326-H334 WeakPolarHBondContact CB-O 3.45Å; A327-H334 PolarHBondContact N-O 3.42Å; A327-H334 PolarHBondContact O-N 3.13Å; H334-L341 HydrophobicContact CB-CD1 4.46Å; H334-R342 WeakPolarHBondContact CA-O 3.24Å; H334-Q343 PolarHBondContact NE2-OE1 3.34Å; H334-M368 HydrophobicContact CB-CE 3.68Å; H334-M368 WeakPolarHBondContact O-CE 3.13Å; H334-Y370 AromaticContact CE1-CE1 3.91Å; H334-Y370 AromaticContact CE1-CZ 3.84Å
335	Y	91.8	Very high	88.1	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.6	174.8	66.6	-79	0	0	0	112	A325 L333 K337 R342 L344 D351 L590 C594	A325-Y335 WeakPolarHBondContact O-CA 3.4Å; L333-Y335 HydrophobicContact CD2-CD1 4.09Å; L333-Y335 HydrophobicContact CG-CD1 4.02Å; Y335-K337 HydrophobicContact CD2-CB 4.22Å; Y335-K337 HydrophobicContact CE2-CB 4Å; Y335-R342 HydrophobicContact CD1-CB 4.26Å; Y335-R342 HydrophobicContact CE1-CB 3.8Å; Y335-R342 HydrophobicContact CE2-CB 4.1Å; Y335-R342 PolarHBondContact N-O 3.07Å; Y335-R342 PolarHBondContact O-N 2.83Å; Y335-L344 HydrophobicContact CE1-CB 4.17Å; Y335-D351 PolarHBondContact OH-OD1 2.82Å; Y335-D351 VanDerWaalsContact OH-OD1 3.05Å; Y335-D351 PolarHBondContact OH-OD2 3.28Å; Y335-L590 HydrophobicContact CD2-CD1 4.49Å; Y335-L590 HydrophobicContact CD2-CD2 4.29Å; Y335-L590 HydrophobicContact CE2-CD2 4.38Å; Y335-L590 HydrophobicContact CG-CD1 4.22Å; Y335-L590 HydrophobicContact CG-CD2 4.36Å; Y335-C594 HydrophobicContact CD2-CB 4.44Å; Y335-C594 WeakPolarHBondContact CE2-O 3.27Å
336	V	88.7	Confident	87.9	Confident	13 Å²	13	45.9 Å²	45.9	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.6	176.8	-179.1	0	0	0	0	108.9	A325 L341 L357 V365 M368 L379	A325-V336 PolarHBondContact O-N 3.5Å; V336-L341 HydrophobicContact CG2-CD1 4.16Å; V336-L357 HydrophobicContact CB-CD1 4.46Å; V336-L357 HydrophobicContact CG1-CD1 3.58Å; V336-L357 HydrophobicContact CG2-CD1 4.05Å; V336-V365 HydrophobicContact CG1-CG2 4.1Å; V336-M368 HydrophobicContact CG2-SD 4.14Å; V336-L379 HydrophobicContact CG2-CD1 4.35Å; V336-L379 HydrophobicContact CG2-CD2 3.89Å
337	K	85.9	Confident	87.7	Confident	60 Å²	60	48.7 Å²	48.7	26%	0.261	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.2	170.8	-178.3	178.1	178.6	-171.9	0	108.7	Y335 R339 F340 C594	Y335-K337 HydrophobicContact CD2-CB 4.22Å; Y335-K337 HydrophobicContact CE2-CB 4Å; K337-R339 PolarHBondContact O-N 3.19Å; K337-F340 PolarHBondContact N-O 3.42Å; K337-F340 PolarHBondContact O-N 3.49Å; K337-C594 HydrophobicContact CB-CB 4.04Å; K337-C594 HydrophobicContact CD-CB 4.17Å; K337-C594 HydrophobicContact CG-CB 3.93Å
338	D	79.1	Confident	87.3	Confident	141 Å²	141	51.3 Å²	51.3	75%	0.754	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	-108	-175.5	-51.7	-47.6	0	0	0	111.6
339	R	81	Confident	87.1	Confident	133 Å²	133	52.1 Å²	52.1	50%	0.502	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	14.1	178.6	-69.7	-174.9	-80.6	-176.9	-2.1	113.3	K337 L357 S359	K337-R339 PolarHBondContact O-N 3.19Å; R339-L357 WeakPolarHBondContact O-CB 3.41Å; R339-L357 PolarHBondContact O-N 2.69Å; R339-S359 PolarHBondContact NH1-OG 3.09Å
340	F	86.9	Confident	87	Confident	67 Å²	67	54.4 Å²	54.4	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	-177.4	-62.7	-84.3	0	0	0	111.2	K337 R342 M355 Q356 P405	K337-F340 PolarHBondContact N-O 3.42Å; K337-F340 PolarHBondContact O-N 3.49Å; F340-R342 HydrophobicContact CB-CG 4.34Å; F340-M355 WeakPolarHBondContact CA-O 3.39Å; F340-Q356 HydrophobicContact CD1-CB 4.02Å; F340-Q356 HydrophobicContact CD1-CG 4.15Å; F340-Q356 HydrophobicContact CE1-CB 3.79Å; F340-Q356 HydrophobicContact CE1-CG 3.71Å; F340-Q356 HydrophobicContact CZ-CG 4.17Å; F340-P405 HydrophobicContact CD1-CG 3.84Å; F340-P405 HydrophobicContact CE1-CG 3.74Å
341	L	88.4	Confident	87.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.7	161	-177	69.4	0	0	0	107.3	H334 V336 V354 M355 L357 M368 V377 I396	H334-L341 HydrophobicContact CB-CD1 4.46Å; V336-L341 HydrophobicContact CG2-CD1 4.16Å; L341-V354 PolarHBondContact O-N 2.87Å; L341-M355 HydrophobicContact CB-CG 3.52Å; L341-M355 HydrophobicContact CB-SD 4.28Å; L341-M355 HydrophobicContact CD2-CE 3.88Å; L341-M355 HydrophobicContact CD2-CG 3.91Å; L341-M355 HydrophobicContact CD2-SD 3.91Å; L341-M355 HydrophobicContact CG-CG 4.35Å; L341-M355 PolarHBondContact N-O 3.2Å; L341-L357 HydrophobicContact CB-CD2 4.4Å; L341-M368 HydrophobicContact CD1-CE 4.27Å; L341-M368 HydrophobicContact CD1-SD 3.68Å; L341-V377 HydrophobicContact CD2-CG2 4.15Å; L341-I396 HydrophobicContact CD2-CD1 3.88Å; L341-I396 HydrophobicContact CD2-CG1 4.15Å
342	R	89.5	Confident	87.2	Confident	58 Å²	58	53.8 Å²	53.8	22%	0.219	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150.7	179.7	-59.4	-173.2	71.3	88.8	-2.1	110.4	H334 Y335 F340 D351 V352	H334-R342 WeakPolarHBondContact CA-O 3.24Å; Y335-R342 HydrophobicContact CD1-CB 4.26Å; Y335-R342 HydrophobicContact CE1-CB 3.8Å; Y335-R342 HydrophobicContact CE2-CB 4.1Å; Y335-R342 PolarHBondContact N-O 3.07Å; Y335-R342 PolarHBondContact O-N 2.83Å; F340-R342 HydrophobicContact CB-CG 4.34Å; R342-D351 IonicContact CZ-OD1 2.9Å; R342-D351 IonicContact CZ-OD2 3.72Å; R342-D351 VanDerWaalsContact CZ-OD2 3.29Å; R342-D351 VanDerWaalsContact NE-CG 3.31Å; R342-D351 IonicContact NE-OD1 3.65Å; R342-D351 PolarHBondContact NE-OD1 3Å; R342-D351 IonicContact NE-OD2 2.95Å; R342-D351 PolarHBondContact NE-OD2 3.2Å; R342-D351 PolarHBondContact NH2-O 2.92Å; R342-D351 IonicContact NH2-OD1 3.49Å; R342-D351 PolarHBondContact NH2-OD1 3.48Å; R342-D351 IonicContact NH2-OD2 2.85Å; R342-D351 PolarHBondContact NH2-OD2 3.28Å; R342-V352 CarbonylContact C-O 3.56Å; R342-V352 VanDerWaalsContact CA-O 3.29Å; R342-V352 WeakPolarHBondContact CA-O 3.48Å
343	Q	89.8	Confident	87.1	Confident	44 Å²	44	50.7 Å²	50.7	21%	0.206	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.8	178.4	-164.8	-175.4	-65.5	0	0	109	M332 L333 H334 V352 V354	M332-Q343 HydrophobicContact CB-CG 4.48Å; L333-Q343 CarbonylContact O-C 3.2Å; L333-Q343 WeakPolarHBondContact O-CA 3.42Å; H334-Q343 PolarHBondContact NE2-OE1 3.34Å; Q343-V352 PolarHBondContact N-O 3.36Å; Q343-V352 PolarHBondContact O-N 3.45Å; Q343-V354 HydrophobicContact CB-CG2 3.51Å
344	L	89.6	Confident	86.8	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.2	173.9	175.9	79.6	0	0	0	108.8	L333 Y335 F346 K350 D351 P596	L333-L344 HydrophobicContact CB-CB 4.2Å; L333-L344 HydrophobicContact CD2-CB 4.42Å; L333-L344 HydrophobicContact CD2-CD2 3.94Å; L333-L344 PolarHBondContact N-O 2.93Å; L333-L344 PolarHBondContact O-N 3.21Å; Y335-L344 HydrophobicContact CE1-CB 4.17Å; L344-F346 HydrophobicContact CD2-CD1 4.39Å; L344-F346 HydrophobicContact CD2-CE1 4.4Å; L344-K350 WeakPolarHBondContact CA-O 3.47Å; L344-D351 HydrophobicContact CD1-CB 3.93Å; L344-P596 HydrophobicContact CD1-CB 4.5Å; L344-P596 HydrophobicContact CD1-CG 4.43Å; L344-P596 HydrophobicContact CD2-CB 3.64Å; L344-P596 HydrophobicContact CD2-CG 4.38Å
345	D	89.1	Confident	86.5	Confident	44 Å²	44	51.2 Å²	51.2	24%	0.235	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.9	167.3	170.8	21.6	0	0	0	109.9	N347 S348 S349 K350	D345-N347 VanDerWaalsContact C-N 3.29Å; D345-N347 PolarHBondContact O-N 2.94Å; D345-N347 PolarHBondContact OD1-N 3.39Å; D345-S348 WeakPolarHBondContact CB-OG 3.5Å; D345-S348 VanDerWaalsContact CG-OG 3.32Å; D345-S348 WeakPolarHBondContact OD2-CB 3.49Å; D345-S348 PolarHBondContact OD2-N 3.06Å; D345-S348 PolarHBondContact OD2-OG 3.06Å; D345-S349 WeakPolarHBondContact O-CA 3.39Å; D345-S349 PolarHBondContact O-N 3.15Å; D345-K350 PolarHBondContact N-O 3.26Å
346	F	86.2	Confident	86.2	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.009	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-25.7	-179.3	-64.9	-52.1	0	0	0	113.7	V328 N331 L333 L344 R581 Y588	V328-F346 HydrophobicContact CG1-CE2 3.89Å; V328-F346 HydrophobicContact CG1-CZ 4.34Å; V328-F346 HydrophobicContact CG2-CZ 4.32Å; N331-F346 WeakPolarHBondContact O-CD2 3.45Å; N331-F346 PolarHBondContact O-N 3.01Å; L333-F346 HydrophobicContact CB-CE1 3.87Å; L333-F346 HydrophobicContact CB-CE2 4.32Å; L333-F346 HydrophobicContact CB-CZ 3.62Å; L333-F346 HydrophobicContact CD2-CE1 4.29Å; L333-F346 HydrophobicContact CG-CZ 4.49Å; L344-F346 HydrophobicContact CD2-CD1 4.39Å; L344-F346 HydrophobicContact CD2-CE1 4.4Å; F346-R581 HydrophobicContact CE1-CB 4.45Å; F346-R581 HydrophobicContact CE2-CB 3.9Å; F346-R581 HydrophobicContact CE2-CG 4.31Å; F346-R581 HydrophobicContact CZ-CB 3.77Å; F346-Y588 HydrophobicContact CB-CD1 4.44Å; F346-Y588 HydrophobicContact CB-CE1 4.11Å; F346-Y588 AromaticContact CD1-CD1 3.4Å; F346-Y588 HydrophobicContact CD1-CD1 3.4Å; F346-Y588 HydrophobicContact CD1-CD2 4.18Å; F346-Y588 AromaticContact CD1-CE1 3.93Å; F346-Y588 HydrophobicContact CD1-CE1 3.93Å; F346-Y588 AromaticContact CD1-CG 3.54Å; F346-Y588 HydrophobicContact CD1-CG 3.54Å; F346-Y588 HydrophobicContact CE1-CD1 4Å; F346-Y588 AromaticContact CE1-CG 3.79Å; F346-Y588 HydrophobicContact CE1-CG 3.79Å; F346-Y588 HydrophobicContact CG-CD1 4.26Å; F346-Y588 HydrophobicContact CG-CE1 4.43Å; F346-Y588 HydrophobicContact CG-CG 4.34Å; F346-Y588 PolarHBondContact O-OH 2.97Å
347	N	85.5	Confident	85.9	Confident	98 Å²	98	54.7 Å²	54.7	52%	0.524	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-48.8	-179.6	-73.2	-16.3	0	0	0	111.4	N331 D345 K583	N331-N347 PolarHBondContact ND2-ND2 2.98Å; D345-N347 VanDerWaalsContact C-N 3.29Å; D345-N347 PolarHBondContact O-N 2.94Å; D345-N347 PolarHBondContact OD1-N 3.39Å; N347-K583 PolarHBondContact OD1-NZ 3.44Å
348	S	83.4	Confident	85.4	Confident	69 Å²	69	58.2 Å²	58.2	48%	0.483	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.6	-179.6	62.5	0	0	0	0	114.2	D345 K350	D345-S348 WeakPolarHBondContact CB-OG 3.5Å; D345-S348 VanDerWaalsContact CG-OG 3.32Å; D345-S348 WeakPolarHBondContact OD2-CB 3.49Å; D345-S348 PolarHBondContact OD2-N 3.06Å; D345-S348 PolarHBondContact OD2-OG 3.06Å; S348-K350 PolarHBondContact O-N 2.97Å; S348-K350 WeakPolarHBondContact OG-CB 3.18Å; S348-K350 PolarHBondContact OG-N 3.1Å
349	S	83.6	Confident	84.3	Confident	73 Å²	73	55.6 Å²	55.6	51%	0.51	28%	0.28	S	S	.	.			trans	53.8	20	-170.9	-61	0	0	0	0	114	D345 D351	D345-S349 WeakPolarHBondContact O-CA 3.39Å; D345-S349 PolarHBondContact O-N 3.15Å; S349-D351 PolarHBondContact O-N 2.85Å
350	K	86.1	Confident	82.9	Confident	142 Å²	142	51.4 Å²	51.4	62%	0.617	28%	0.279	S	S	*	.			trans	-79.4	119.8	179.1	-167.6	-179.8	179.3	179.2	0	109.5	L344 D345 S348 V352	L344-K350 WeakPolarHBondContact CA-O 3.47Å; D345-K350 PolarHBondContact N-O 3.26Å; S348-K350 PolarHBondContact O-N 2.97Å; S348-K350 WeakPolarHBondContact OG-CB 3.18Å; S348-K350 PolarHBondContact OG-N 3.1Å; K350-V352 HydrophobicContact CD-CG2 4.2Å; K350-V352 HydrophobicContact CG-CG2 3.95Å
351	D	87.1	Confident	81.4	Confident	54 Å²	54	50.4 Å²	50.4	29%	0.289	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116	177.2	174.5	24.2	0	0	0	110.6	Y335 R342 L344 S349	Y335-D351 PolarHBondContact OH-OD1 2.82Å; Y335-D351 VanDerWaalsContact OH-OD1 3.05Å; Y335-D351 PolarHBondContact OH-OD2 3.28Å; R342-D351 IonicContact CZ-OD1 2.9Å; R342-D351 IonicContact CZ-OD2 3.72Å; R342-D351 VanDerWaalsContact CZ-OD2 3.29Å; R342-D351 VanDerWaalsContact NE-CG 3.31Å; R342-D351 IonicContact NE-OD1 3.65Å; R342-D351 PolarHBondContact NE-OD1 3Å; R342-D351 IonicContact NE-OD2 2.95Å; R342-D351 PolarHBondContact NE-OD2 3.2Å; R342-D351 PolarHBondContact NH2-O 2.92Å; R342-D351 IonicContact NH2-OD1 3.49Å; R342-D351 PolarHBondContact NH2-OD1 3.48Å; R342-D351 IonicContact NH2-OD2 2.85Å; R342-D351 PolarHBondContact NH2-OD2 3.28Å; L344-D351 HydrophobicContact CD1-CB 3.93Å; S349-D351 PolarHBondContact O-N 2.85Å
352	V	88.4	Confident	80.1	Confident	40 Å²	40	59.4 Å²	59.4	24%	0.242	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.5	-175	-176.4	0	0	0	0	110.6	R342 Q343 K350	R342-V352 CarbonylContact C-O 3.56Å; R342-V352 VanDerWaalsContact CA-O 3.29Å; R342-V352 WeakPolarHBondContact CA-O 3.48Å; Q343-V352 PolarHBondContact N-O 3.36Å; Q343-V352 PolarHBondContact O-N 3.45Å; K350-V352 HydrophobicContact CD-CG2 4.2Å; K350-V352 HydrophobicContact CG-CG2 3.95Å
353	A	86.9	Confident	79.1	Confident	12 Å²	12	59.9 Å²	59.9	10%	0.099	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.6	168.2	0	0	0	0	0	109.6	P405	A353-P405 HydrophobicContact CB-CG 4.15Å
354	V	85.4	Confident	78.3	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-40.9	-173.5	-171	0	0	0	0	112.2	L341 Q343 I396 A400	L341-V354 PolarHBondContact O-N 2.87Å; Q343-V354 HydrophobicContact CB-CG2 3.51Å; V354-I396 HydrophobicContact CG1-CG2 3.36Å; V354-A400 HydrophobicContact CG1-CB 4.29Å
355	M	85.1	Confident	78.1	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	152.9	178.3	63.6	170	70.5	0	0	111.1	F340 L341 L357 Y394 I396 P408	F340-M355 WeakPolarHBondContact CA-O 3.39Å; L341-M355 HydrophobicContact CB-CG 3.52Å; L341-M355 HydrophobicContact CB-SD 4.28Å; L341-M355 HydrophobicContact CD2-CE 3.88Å; L341-M355 HydrophobicContact CD2-CG 3.91Å; L341-M355 HydrophobicContact CD2-SD 3.91Å; L341-M355 HydrophobicContact CG-CG 4.35Å; L341-M355 PolarHBondContact N-O 3.2Å; M355-L357 HydrophobicContact CG-CD2 4.3Å; M355-L357 HydrophobicContact SD-CD2 3.93Å; M355-Y394 HydrophobicContact SD-CD1 4.27Å; M355-Y394 HydrophobicContact SD-CG 4.17Å; M355-I396 VanDerWaalsContact CE-CA 3.45Å; M355-I396 HydrophobicContact CE-CB 3.87Å; M355-I396 HydrophobicContact CE-CG1 3.61Å; M355-I396 HydrophobicContact CE-CG2 4.11Å; M355-P408 HydrophobicContact CB-CG 4.04Å; M355-P408 HydrophobicContact CE-CG 4.18Å; M355-P408 HydrophobicContact SD-CG 3.9Å
356	Q	85.3	Confident	77.8	Confident	71 Å²	71	62.2 Å²	62.2	33%	0.332	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.4	167.9	-167	176.4	9.4	0	0	110.5	F340 D406 A407	F340-Q356 HydrophobicContact CD1-CB 4.02Å; F340-Q356 HydrophobicContact CD1-CG 4.15Å; F340-Q356 HydrophobicContact CE1-CB 3.79Å; F340-Q356 HydrophobicContact CE1-CG 3.71Å; F340-Q356 HydrophobicContact CZ-CG 4.17Å; Q356-D406 PolarHBondContact N-O 3.41Å; Q356-A407 HydrophobicContact CB-CB 4.38Å
357	L	82.8	Confident	77.9	Confident	16 Å²	16	65 Å²	65	8%	0.084	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-85	151.4	178.4	-57.6	175.9	0	0	0	111	V336 R339 L341 M355 S359 L379 Y394	V336-L357 HydrophobicContact CB-CD1 4.46Å; V336-L357 HydrophobicContact CG1-CD1 3.58Å; V336-L357 HydrophobicContact CG2-CD1 4.05Å; R339-L357 WeakPolarHBondContact O-CB 3.41Å; R339-L357 PolarHBondContact O-N 2.69Å; L341-L357 HydrophobicContact CB-CD2 4.4Å; M355-L357 HydrophobicContact CG-CD2 4.3Å; M355-L357 HydrophobicContact SD-CD2 3.93Å; L357-S359 PolarHBondContact O-N 3.18Å; L357-L379 HydrophobicContact CD1-CD1 3.69Å; L357-L379 HydrophobicContact CD2-CD1 3.64Å; L357-L379 HydrophobicContact CG-CD1 4.29Å; L357-Y394 HydrophobicContact CD2-CD2 4.16Å; L357-Y394 HydrophobicContact CD2-CE2 3.96Å
358	R	74.8	Confident	78.1	Confident	135 Å²	135	60.7 Å²	60.7	51%	0.509	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-57.2	127.8	-179.3	-172.2	-175.1	-68.3	-149.3	1.3	112.2	G360 Y394 G410	R358-G360 PolarHBondContact O-N 2.78Å; R358-Y394 WeakPolarHBondContact CB-OH 3.27Å; R358-Y394 PolarHBondContact N-OH 3.48Å; R358-G410 PolarHBondContact NH2-O 3.37Å
359	S	54.8	Low	78.4	Confident	85 Å²	85	58.5 Å²	58.5	59%	0.594	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	35.1	-176.7	-167.4	0	0	0	0	115.7	R339 L357	R339-S359 PolarHBondContact NH1-OG 3.09Å; L357-S359 PolarHBondContact O-N 3.18Å
360	G	53.1	Low	78.7	Confident	46 Å²	46	56.8 Å²	56.8	47%	0.474	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	0.3	-166.8	0	0	0	0	0	117.4	R358	R358-G360 PolarHBondContact O-N 2.78Å
361	S	55	Low	78.9	Confident	45 Å²	45	50.5 Å²	50.5	32%	0.315	27%	0.272	S	S	.	.			trans	-87.4	119.6	174.5	-179.7	0	0	0	0	110	F363	S361-F363 PolarHBondContact O-N 3.41Å; S361-F363 VanDerWaalsContact O-N 3.15Å; S361-F363 PolarHBondContact OG-N 2.96Å; S361-F363 PolarHBondContact OG-O 3.03Å
362	K	60.2	Low	78.8	Confident	190 Å²	190	50.8 Å²	50.8	83%	0.826	28%	0.276	S	S	*	.	S	Bend	trans	-64.2	-11.4	171.9	-67.1	-178.4	-179.4	179.4	0	112.8
363	F	68.2	Low	78.7	Confident	67 Å²	67	51.2 Å²	51.2	29%	0.294	28%	0.284	S	S	.	.	S	Bend	trans	-124.4	144	-173.1	-56.2	-75.5	0	0	0	111.1	S361 A383	S361-F363 PolarHBondContact O-N 3.41Å; S361-F363 VanDerWaalsContact O-N 3.15Å; S361-F363 PolarHBondContact OG-N 2.96Å; S361-F363 PolarHBondContact OG-O 3.03Å; F363-A383 HydrophobicContact CD2-CB 3.69Å; F363-A383 HydrophobicContact CE2-CB 3.37Å; F363-A383 HydrophobicContact CG-CB 4.41Å; F363-A383 HydrophobicContact CZ-CB 3.85Å
364	P	74.8	Confident	78.5	Confident	72 Å²	72	53.8 Å²	53.8	47%	0.468	29%	0.294	S	S	.	.			trans	-63.9	153.7	175.3	27.3	-34.5	0	0	0	111.4	F366	P364-F366 PolarHBondContact O-N 2.96Å
365	V	83.8	Confident	78.6	Confident	31 Å²	31	54.8 Å²	54.8	19%	0.188	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	126.8	177.1	-178.8	0	0	0	0	109.7	A325 V336 L379 T381	A325-V365 HydrophobicContact CB-CB 4.17Å; A325-V365 HydrophobicContact CB-CG1 3.7Å; V336-V365 HydrophobicContact CG1-CG2 4.1Å; V365-L379 HydrophobicContact CG1-CB 4.17Å; V365-L379 HydrophobicContact CG1-CD2 4.17Å; V365-T381 HydrophobicContact CG2-CG2 4.47Å
366	F	84.3	Confident	78.8	Confident	46 Å²	46	54.8 Å²	54.8	20%	0.202	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-43.6	-175.9	179.3	-94.1	0	0	0	112.7	R321 P364 C380 R382	R321-F366 PolarHBondContact NH1-O 3.35Å; P364-F366 PolarHBondContact O-N 2.96Å; F366-C380 WeakPolarHBondContact CA-O 3.44Å; F366-C380 WeakPolarHBondContact CB-O 3.42Å; F366-C380 PolarHBondContact N-O 2.79Å; F366-R382 HydrophobicContact CB-CB 3.85Å; F366-R382 HydrophobicContact CD2-CB 3.98Å; F366-R382 HydrophobicContact CG-CB 3.9Å
367	N	86.8	Confident	79	Confident	60 Å²	60	51.5 Å²	51.5	32%	0.321	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	156.8	-179.6	-168.4	18.6	0	0	0	110.5	C380	N367-C380 HydrophobicContact CB-CB 4.44Å; N367-C380 PolarHBondContact N-O 2.74Å; N367-C380 PolarHBondContact O-N 3Å
368	M	89.8	Confident	79.4	Confident	9 Å²	9	50.7 Å²	50.7	4%	0.044	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.9	176.9	179.6	164.1	74.7	0	0	111	A325 A327 H334 V336 L341 V377 L378 L379	A325-M368 HydrophobicContact CB-CB 4.28Å; A327-M368 HydrophobicContact CB-CE 3.83Å; A327-M368 HydrophobicContact CB-CG 4.32Å; H334-M368 HydrophobicContact CB-CE 3.68Å; H334-M368 WeakPolarHBondContact O-CE 3.13Å; V336-M368 HydrophobicContact CG2-SD 4.14Å; L341-M368 HydrophobicContact CD1-CE 4.27Å; L341-M368 HydrophobicContact CD1-SD 3.68Å; M368-V377 HydrophobicContact CG-CG1 3.62Å; M368-V377 HydrophobicContact SD-CG1 3.58Å; M368-V377 VanDerWaalsContact SD-CG1 3.58Å; M368-L378 CarbonylContact C-O 3.57Å; M368-L378 WeakPolarHBondContact CA-O 3.16Å; M368-L379 HydrophobicContact CB-CD2 3.86Å; M368-L379 HydrophobicContact CG-CD2 3.56Å; M368-L379 HydrophobicContact SD-CD2 3.5Å; M368-L379 WeakPolarHBondContact SD-CD2 3.3Å
369	S	90.2	Very high	80.1	Confident	22 Å²	22	44.4 Å²	44.4	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	121.8	172.1	-167.1	0	0	0	0	110	L378 W420	S369-L378 PolarHBondContact N-O 3.21Å; S369-L378 PolarHBondContact O-N 3.41Å; S369-W420 PolarHBondContact O-NE1 2.67Å; S369-W420 VanDerWaalsContact O-NE1 3.17Å; S369-W420 VanDerWaalsContact OG-CD1 3.3Å
370	Y	90.8	Very high	81.8	Confident	37 Å²	37	40.5 Å²	40.5	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.6	-179.6	174.4	-113.2	0	0	0	110.9	H329 H334 P372 N375 V377 I396	H329-Y370 HydrophobicContact CB-CD1 3.72Å; H329-Y370 HydrophobicContact CB-CE1 3.9Å; H334-Y370 AromaticContact CE1-CE1 3.91Å; H334-Y370 AromaticContact CE1-CZ 3.84Å; Y370-P372 HydrophobicContact CE1-CB 3.93Å; Y370-N375 WeakPolarHBondContact CE2-OD1 3.4Å; Y370-N375 PolarHBondContact OH-OD1 3.42Å; Y370-V377 HydrophobicContact CD2-CG2 3.67Å; Y370-V377 HydrophobicContact CE2-CG2 4.47Å; Y370-I396 HydrophobicContact CD2-CD1 4.13Å; Y370-I396 HydrophobicContact CE2-CD1 3.7Å
371	N	90.3	Very high	83.4	Confident	11 Å²	11	38.7 Å²	38.7	6%	0.059	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.9	173.4	178.9	7.4	0	0	0	109.8	A373 N375 A376 W420 R423	N371-A373 VanDerWaalsContact C-N 3.35Å; N371-A373 PolarHBondContact O-N 3.37Å; N371-A373 PolarHBondContact OD1-N 3.45Å; N371-A373 VanDerWaalsContact OD1-N 3.17Å; N371-N375 WeakPolarHBondContact O-CA 3.45Å; N371-N375 PolarHBondContact O-N 3.49Å; N371-A376 PolarHBondContact N-O 2.93Å; N371-A376 PolarHBondContact O-N 3.49Å; N371-A376 VanDerWaalsContact O-N 3.12Å; N371-W420 HydrophobicContact CB-CD2 3.61Å; N371-W420 VanDerWaalsContact CB-CE2 3.44Å; N371-W420 HydrophobicContact CB-CE3 4.15Å; N371-W420 HydrophobicContact CB-CG 3.85Å; N371-W420 HydrophobicContact CB-CH2 4.43Å; N371-W420 HydrophobicContact CB-CZ2 3.89Å; N371-R423 PolarHBondContact ND2-O 3.27Å
372	P	85.3	Confident	84.5	Confident	59 Å²	59	39.3 Å²	39.3	38%	0.383	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.1	-176.8	29.3	-36.8	0	0	0	113.7	H329 Y370 E374	H329-P372 WeakPolarHBondContact NE2-CB 3.5Å; Y370-P372 HydrophobicContact CE1-CB 3.93Å; P372-E374 PolarHBondContact O-N 3.39Å
373	A	85.3	Confident	85.1	Confident	49 Å²	49	30.6 Å²	30.6	41%	0.405	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-35.4	-170.5	0	0	0	0	0	113.4	N371 R423	N371-A373 VanDerWaalsContact C-N 3.35Å; N371-A373 PolarHBondContact O-N 3.37Å; N371-A373 PolarHBondContact OD1-N 3.45Å; N371-A373 VanDerWaalsContact OD1-N 3.17Å; A373-R423 HydrophobicContact CB-CG 3.55Å
374	E	83.1	Confident	85.1	Confident	66 Å²	66	31.9 Å²	31.9	31%	0.308	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	11.1	-178.5	-57.8	-62.6	140.6	0	0	111.4	P372 A376 R423 N424 L440	P372-E374 PolarHBondContact O-N 3.39Å; E374-A376 VanDerWaalsContact C-N 3.33Å; E374-A376 PolarHBondContact O-N 3.18Å; E374-R423 IonicContact OE1-CZ 3.63Å; E374-R423 IonicContact OE1-NE 3.43Å; E374-R423 PolarHBondContact OE1-NE 3.25Å; E374-R423 IonicContact OE1-NH2 3.71Å; E374-R423 PolarHBondContact OE1-NH2 3.13Å; E374-N424 VanDerWaalsContact CG-OD1 3.3Å; E374-N424 WeakPolarHBondContact CG-OD1 3.38Å; E374-N424 PolarHBondContact OE1-OD1 3.42Å; E374-L440 HydrophobicContact CB-CD1 4.3Å; E374-L440 HydrophobicContact CG-CD1 3.96Å
375	N	87.6	Confident	85	Confident	33 Å²	33	32.1 Å²	32.1	18%	0.176	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	52	-176.8	-156.9	25.4	0	0	0	112.8	Y370 N371 I396	Y370-N375 WeakPolarHBondContact CE2-OD1 3.4Å; Y370-N375 PolarHBondContact OH-OD1 3.42Å; N371-N375 WeakPolarHBondContact O-CA 3.45Å; N371-N375 PolarHBondContact O-N 3.49Å; N375-I396 WeakPolarHBondContact ND2-CB 3.33Å; N375-I396 PolarHBondContact ND2-O 3.34Å; N375-I396 VanDerWaalsContact ND2-O 3.16Å; N375-I396 WeakPolarHBondContact O-CB 3.41Å; N375-I396 WeakPolarHBondContact O-CG1 3.28Å; N375-I396 PolarHBondContact O-N 3.07Å
376	A	88.6	Confident	84.4	Confident	1 Å²	1	35 Å²	35	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.7	-172.9	0	0	0	0	0	112.3	N371 E374 L393 Y394 W420	N371-A376 PolarHBondContact N-O 2.93Å; N371-A376 PolarHBondContact O-N 3.49Å; N371-A376 VanDerWaalsContact O-N 3.12Å; E374-A376 VanDerWaalsContact C-N 3.33Å; E374-A376 PolarHBondContact O-N 3.18Å; A376-L393 HydrophobicContact CB-CD1 4.45Å; A376-Y394 CarbonylContact C-O 3.57Å; A376-Y394 WeakPolarHBondContact CA-O 3.47Å; A376-W420 HydrophobicContact CB-CH2 4.02Å; A376-W420 HydrophobicContact CB-CZ2 3.82Å
377	V	90.3	Very high	83.8	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.4	-177.7	173.7	0	0	0	0	110.7	L341 M368 Y370 L379 Y394 I396	L341-V377 HydrophobicContact CD2-CG2 4.15Å; M368-V377 HydrophobicContact CG-CG1 3.62Å; M368-V377 HydrophobicContact SD-CG1 3.58Å; M368-V377 VanDerWaalsContact SD-CG1 3.58Å; Y370-V377 HydrophobicContact CD2-CG2 3.67Å; Y370-V377 HydrophobicContact CE2-CG2 4.47Å; V377-L379 HydrophobicContact CG1-CD2 3.48Å; V377-L379 VanDerWaalsContact CG1-CD2 3.48Å; V377-L379 HydrophobicContact CG1-CG 3.86Å; V377-Y394 PolarHBondContact N-O 2.89Å; V377-Y394 PolarHBondContact O-N 3.46Å; V377-I396 HydrophobicContact CG2-CD1 3.72Å; V377-I396 HydrophobicContact CG2-CG1 4.01Å
378	L	91	Very high	83.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.1	167.1	-68.7	168.4	0	0	0	109.2	M368 S369 Y391 D392 L393 A418 W420 F426	M368-L378 CarbonylContact C-O 3.57Å; M368-L378 WeakPolarHBondContact CA-O 3.16Å; S369-L378 PolarHBondContact N-O 3.21Å; S369-L378 PolarHBondContact O-N 3.41Å; L378-Y391 HydrophobicContact CD2-CD2 4.11Å; L378-D392 WeakPolarHBondContact CA-O 3.38Å; L378-L393 HydrophobicContact CD2-CB 3.97Å; L378-L393 HydrophobicContact CD2-CD1 3.68Å; L378-L393 HydrophobicContact CD2-CG 4.38Å; L378-L393 HydrophobicContact CG-CD1 4.3Å; L378-A418 HydrophobicContact CD1-CB 4.15Å; L378-A418 HydrophobicContact CD2-CB 4.43Å; L378-W420 HydrophobicContact CD1-CD2 3.89Å; L378-W420 HydrophobicContact CD1-CG 4.17Å; L378-W420 HydrophobicContact CD1-CZ2 3.91Å; L378-W420 HydrophobicContact CD2-CZ2 4.4Å; L378-W420 HydrophobicContact CG-CZ2 3.71Å; L378-F426 HydrophobicContact CD1-CB 3.75Å; L378-F426 HydrophobicContact CD1-CD2 4.04Å; L378-F426 HydrophobicContact CD1-CG 3.93Å; L378-F426 HydrophobicContact CD2-CD2 4.22Å; L378-F426 HydrophobicContact CD2-CE2 4.23Å; L378-F426 HydrophobicContact CD2-CG 4.45Å; L378-F426 HydrophobicContact CD2-CZ 4.48Å
379	L	89.6	Confident	83.3	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.2	174.5	-59.1	-176.7	0	0	0	109.5	V336 L357 V365 M368 V377 Y391 D392 Y394	V336-L379 HydrophobicContact CG2-CD1 4.35Å; V336-L379 HydrophobicContact CG2-CD2 3.89Å; L357-L379 HydrophobicContact CD1-CD1 3.69Å; L357-L379 HydrophobicContact CD2-CD1 3.64Å; L357-L379 HydrophobicContact CG-CD1 4.29Å; V365-L379 HydrophobicContact CG1-CB 4.17Å; V365-L379 HydrophobicContact CG1-CD2 4.17Å; M368-L379 HydrophobicContact CB-CD2 3.86Å; M368-L379 HydrophobicContact CG-CD2 3.56Å; M368-L379 HydrophobicContact SD-CD2 3.5Å; M368-L379 WeakPolarHBondContact SD-CD2 3.3Å; V377-L379 HydrophobicContact CG1-CD2 3.48Å; V377-L379 VanDerWaalsContact CG1-CD2 3.48Å; V377-L379 HydrophobicContact CG1-CG 3.86Å; L379-Y391 CarbonylContact O-C 3.59Å; L379-Y391 WeakPolarHBondContact O-CA 3.15Å; L379-D392 HydrophobicContact CB-CB 4.47Å; L379-D392 PolarHBondContact N-O 2.96Å; L379-D392 PolarHBondContact O-N 2.92Å; L379-Y394 HydrophobicContact CD1-CD2 4Å; L379-Y394 HydrophobicContact CD1-CE2 3.92Å; L379-Y394 HydrophobicContact CG-CD2 4.35Å
380	C	89.2	Confident	83.3	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.02	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.5	175.9	-62.1	0	0	0	0	109.7	F366 N367 A418	F366-C380 WeakPolarHBondContact CA-O 3.44Å; F366-C380 WeakPolarHBondContact CB-O 3.42Å; F366-C380 PolarHBondContact N-O 2.79Å; N367-C380 HydrophobicContact CB-CB 4.44Å; N367-C380 PolarHBondContact N-O 2.74Å; N367-C380 PolarHBondContact O-N 3Å; C380-A418 PolarHBondContact SG-N 3.49Å
381	T	86.9	Confident	83.2	Confident	8 Å²	8	38.7 Å²	38.7	5%	0.049	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128	173.9	56.8	0	0	0	0	109.1	V365 S389 T390	V365-T381 HydrophobicContact CG2-CG2 4.47Å; T381-S389 WeakPolarHBondContact O-CA 3.41Å; T381-S389 WeakPolarHBondContact O-CB 3.36Å; T381-T390 PolarHBondContact N-O 3.09Å; T381-T390 PolarHBondContact O-N 3.28Å; T381-T390 VanDerWaalsContact O-N 3.08Å; T381-T390 VanDerWaalsContact O-O 3.11Å; T381-T390 PolarHBondContact OG1-O 3.46Å; T381-T390 PolarHBondContact OG1-OG1 2.76Å
382	R	79.1	Confident	83.2	Confident	57 Å²	57	38.6 Å²	38.6	22%	0.215	22%	0.216	C	C	.	.			trans	-112.2	117.8	-176.8	-168.2	173.4	-112.1	155.9	-4.2	109.4	F366 L386 E455	F366-R382 HydrophobicContact CB-CB 3.85Å; F366-R382 HydrophobicContact CD2-CB 3.98Å; F366-R382 HydrophobicContact CG-CB 3.9Å; R382-L386 HydrophobicContact CG-CD2 3.82Å; R382-E455 IonicContact CZ-OE1 2.73Å; R382-E455 IonicContact NH1-OE1 3.41Å; R382-E455 PolarHBondContact NH1-OE1 3.37Å; R382-E455 IonicContact NH2-OE1 3.44Å; R382-E455 PolarHBondContact NH2-OE1 2.99Å
383	A	73.4	Confident	83.4	Confident	8 Å²	8	36.1 Å²	36.1	7%	0.066	20%	0.199	C	C	.	.			trans	-83.7	164.2	176.6	0	0	0	0	0	111.3	F363 N385 N388	F363-A383 HydrophobicContact CD2-CB 3.69Å; F363-A383 HydrophobicContact CE2-CB 3.37Å; F363-A383 HydrophobicContact CG-CB 4.41Å; F363-A383 HydrophobicContact CZ-CB 3.85Å; A383-N385 VanDerWaalsContact C-N 3.31Å; A383-N385 WeakPolarHBondContact CB-O 3.41Å; A383-N385 PolarHBondContact O-N 3.37Å; A383-N388 HydrophobicContact CB-CB 3.7Å
384	S	66.9	Low	83.5	Confident	93 Å²	93	34 Å²	34	65%	0.65	18%	0.181	S	C	*	.	S	Bend	trans	-61.7	-38.5	175.4	-57.3	0	0	0	0	112.4
385	N	72.6	Confident	83.7	Confident	77 Å²	77	35.1 Å²	35.1	41%	0.412	19%	0.192	S	C	.	.	S	Bend	trans	-89.2	116.8	162	-177.3	1.1	0	0	0	107.8	A383 E387 N388	A383-N385 VanDerWaalsContact C-N 3.31Å; A383-N385 WeakPolarHBondContact CB-O 3.41Å; A383-N385 PolarHBondContact O-N 3.37Å; N385-E387 PolarHBondContact ND2-OE2 3.31Å; N385-E387 PolarHBondContact O-N 3.07Å; N385-E387 VanDerWaalsContact O-N 3.15Å; N385-E387 PolarHBondContact OD1-N 2.97Å; N385-N388 PolarHBondContact O-N 2.78Å
386	L	72.3	Confident	83.6	Confident	91 Å²	91	33.8 Å²	33.8	48%	0.476	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-58.1	-29.2	-175.2	-75.4	167.9	0	0	0	112.7	R382 N388 S389 L416	R382-L386 HydrophobicContact CG-CD2 3.82Å; L386-N388 PolarHBondContact O-N 2.98Å; L386-S389 WeakPolarHBondContact O-CB 3.41Å; L386-S389 PolarHBondContact O-N 2.92Å; L386-S389 VanDerWaalsContact O-N 3.07Å; L386-S389 PolarHBondContact O-OG 3.48Å; L386-L416 HydrophobicContact CB-CD2 4.08Å; L386-L416 HydrophobicContact CD2-CD2 4.26Å
387	E	71.9	Confident	83.1	Confident	123 Å²	123	35.5 Å²	35.5	58%	0.575	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-61.5	-29.8	176.1	-62.2	179	155.5	0	0	112.3	N385 S389 R431	N385-E387 PolarHBondContact ND2-OE2 3.31Å; N385-E387 PolarHBondContact O-N 3.07Å; N385-E387 VanDerWaalsContact O-N 3.15Å; N385-E387 PolarHBondContact OD1-N 2.97Å; E387-S389 PolarHBondContact O-N 3.46Å; E387-R431 WeakPolarHBondContact O-CD 3.33Å; E387-R431 PolarHBondContact O-NE 3.39Å; E387-R431 PolarHBondContact O-NH2 3.17Å
388	N	80.1	Confident	82.2	Confident	102 Å²	102	44.5 Å²	44.5	55%	0.545	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-84.6	9	178.5	-69.2	-27.7	0	0	0	113.5	A383 N385 L386	A383-N388 HydrophobicContact CB-CB 3.7Å; N385-N388 PolarHBondContact O-N 2.78Å; L386-N388 PolarHBondContact O-N 2.98Å
389	S	85.4	Confident	80.9	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	27%	0.274	C	S	.	.			trans	-71.1	142.9	177.3	-53.4	0	0	0	0	111.5	T381 L386 E387 G415	T381-S389 WeakPolarHBondContact O-CA 3.41Å; T381-S389 WeakPolarHBondContact O-CB 3.36Å; L386-S389 WeakPolarHBondContact O-CB 3.41Å; L386-S389 PolarHBondContact O-N 2.92Å; L386-S389 VanDerWaalsContact O-N 3.07Å; L386-S389 PolarHBondContact O-OG 3.48Å; E387-S389 PolarHBondContact O-N 3.46Å; S389-G415 CarbonylContact C-O 3.59Å; S389-G415 PolarHBondContact O-N 3.35Å
390	T	89	Confident	79.5	Confident	27 Å²	27	53.7 Å²	53.7	17%	0.166	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.5	-178.7	63.4	0	0	0	0	110.6	T381 S413	T381-T390 PolarHBondContact N-O 3.09Å; T381-T390 PolarHBondContact O-N 3.28Å; T381-T390 VanDerWaalsContact O-N 3.08Å; T381-T390 VanDerWaalsContact O-O 3.11Å; T381-T390 PolarHBondContact OG1-O 3.46Å; T381-T390 PolarHBondContact OG1-OG1 2.76Å; T390-S413 CarbonylContact C-O 3.54Å; T390-S413 VanDerWaalsContact CA-O 3.31Å; T390-S413 WeakPolarHBondContact CA-O 3.41Å; T390-S413 WeakPolarHBondContact CB-O 3.39Å
391	Y	90.1	Very high	78.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.5	166	70.4	-82.1	0	0	0	110.3	L378 L379 S413 S414 A418 F426 V428 K438 N442	L378-Y391 HydrophobicContact CD2-CD2 4.11Å; L379-Y391 CarbonylContact O-C 3.59Å; L379-Y391 WeakPolarHBondContact O-CA 3.15Å; Y391-S413 WeakPolarHBondContact CD1-O 3.31Å; Y391-S413 PolarHBondContact N-O 3.5Å; Y391-S413 PolarHBondContact O-N 2.79Å; Y391-S413 WeakPolarHBondContact OH-CB 3.37Å; Y391-S414 WeakPolarHBondContact CE1-O 3.01Å; Y391-A418 HydrophobicContact CD1-CB 4.38Å; Y391-A418 HydrophobicContact CD2-CB 4.02Å; Y391-A418 HydrophobicContact CG-CB 3.87Å; Y391-F426 HydrophobicContact CD2-CE2 4.49Å; Y391-F426 AromaticContact CE2-CE2 3.65Å; Y391-F426 HydrophobicContact CE2-CE2 3.65Å; Y391-F426 HydrophobicContact CE2-CZ 4.09Å; Y391-V428 HydrophobicContact CD1-CG1 4.04Å; Y391-V428 HydrophobicContact CE1-CB 4.39Å; Y391-V428 HydrophobicContact CE1-CG1 3.55Å; Y391-V428 HydrophobicContact CE1-CG2 3.89Å; Y391-V428 HydrophobicContact CE2-CG2 4.26Å; Y391-K438 VanDerWaalsContact OH-CD 3.27Å; Y391-K438 WeakPolarHBondContact OH-CD 3.13Å; Y391-K438 VanDerWaalsContact OH-CE 3.25Å; Y391-K438 WeakPolarHBondContact OH-CE 3.45Å; Y391-K438 PolarHBondContact OH-NZ 3.45Å; Y391-N442 PolarHBondContact OH-OD1 3.16Å
392	D	89.1	Confident	77.2	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.043	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.1	176.2	-65.1	-22.6	0	0	0	109	L378 L379 Y394 R412	L378-D392 WeakPolarHBondContact CA-O 3.38Å; L379-D392 HydrophobicContact CB-CB 4.47Å; L379-D392 PolarHBondContact N-O 2.96Å; L379-D392 PolarHBondContact O-N 2.92Å; D392-Y394 HydrophobicContact CB-CD2 4.02Å; D392-Y394 HydrophobicContact CB-CE2 3.38Å; D392-R412 WeakPolarHBondContact OD1-CA 3.35Å; D392-R412 WeakPolarHBondContact OD1-CB 3.35Å; D392-R412 WeakPolarHBondContact OD1-CG 3.12Å; D392-R412 IonicContact OD1-CZ 3.28Å; D392-R412 IonicContact OD1-NE 3.21Å; D392-R412 PolarHBondContact OD1-NE 3.02Å; D392-R412 IonicContact OD1-NH2 3.94Å; D392-R412 IonicContact OD2-CZ 3.71Å; D392-R412 IonicContact OD2-NE 3.51Å; D392-R412 IonicContact OD2-NH2 2.81Å; D392-R412 PolarHBondContact OD2-NH2 3.44Å
393	L	89.9	Confident	76.3	Confident	8 Å²	8	65.7 Å²	65.7	4%	0.042	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.1	170.8	172.8	64.8	0	0	0	109.3	A376 L378 G410 K411 W420 F426 L440	A376-L393 HydrophobicContact CB-CD1 4.45Å; L378-L393 HydrophobicContact CD2-CB 3.97Å; L378-L393 HydrophobicContact CD2-CD1 3.68Å; L378-L393 HydrophobicContact CD2-CG 4.38Å; L378-L393 HydrophobicContact CG-CD1 4.3Å; L393-G410 WeakPolarHBondContact O-CA 3.42Å; L393-K411 HydrophobicContact CB-CB 4.43Å; L393-K411 PolarHBondContact N-O 3Å; L393-K411 PolarHBondContact O-N 2.89Å; L393-W420 HydrophobicContact CD1-CH2 3.83Å; L393-W420 HydrophobicContact CD1-CZ2 3.87Å; L393-F426 HydrophobicContact CD2-CE1 4.04Å; L393-F426 HydrophobicContact CD2-CZ 4.34Å; L393-L440 WeakPolarHBondContact CD2-O 3.43Å
394	Y	88.6	Confident	75.8	Confident	3 Å²	3	71.2 Å²	71.2	1%	0.012	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.3	175	-68.1	-82.5	0	0	0	110.6	M355 L357 R358 A376 V377 L379 D392 P408	M355-Y394 HydrophobicContact SD-CD1 4.27Å; M355-Y394 HydrophobicContact SD-CG 4.17Å; L357-Y394 HydrophobicContact CD2-CD2 4.16Å; L357-Y394 HydrophobicContact CD2-CE2 3.96Å; R358-Y394 WeakPolarHBondContact CB-OH 3.27Å; R358-Y394 PolarHBondContact N-OH 3.48Å; A376-Y394 CarbonylContact C-O 3.57Å; A376-Y394 WeakPolarHBondContact CA-O 3.47Å; V377-Y394 PolarHBondContact N-O 2.89Å; V377-Y394 PolarHBondContact O-N 3.46Å; L379-Y394 HydrophobicContact CD1-CD2 4Å; L379-Y394 HydrophobicContact CD1-CE2 3.92Å; L379-Y394 HydrophobicContact CG-CD2 4.35Å; D392-Y394 HydrophobicContact CB-CD2 4.02Å; D392-Y394 HydrophobicContact CB-CE2 3.38Å; Y394-P408 HydrophobicContact CD1-CG 4.17Å
395	T	86.4	Confident	75.8	Confident	90 Å²	90	67.6 Å²	67.6	55%	0.552	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.9	167.7	-51.2	0	0	0	0	107.4	P397	T395-P397 WeakPolarHBondContact O-CD 3.39Å
396	I	84.7	Confident	75.4	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.026	37%	0.367	C	S	.	.			trans	-80.4	120.8	-179.9	-51.2	-173	0	0	0	108.9	L341 V354 M355 Y370 N375 V377	L341-I396 HydrophobicContact CD2-CD1 3.88Å; L341-I396 HydrophobicContact CD2-CG1 4.15Å; V354-I396 HydrophobicContact CG1-CG2 3.36Å; M355-I396 VanDerWaalsContact CE-CA 3.45Å; M355-I396 HydrophobicContact CE-CB 3.87Å; M355-I396 HydrophobicContact CE-CG1 3.61Å; M355-I396 HydrophobicContact CE-CG2 4.11Å; Y370-I396 HydrophobicContact CD2-CD1 4.13Å; Y370-I396 HydrophobicContact CE2-CD1 3.7Å; N375-I396 WeakPolarHBondContact ND2-CB 3.33Å; N375-I396 PolarHBondContact ND2-O 3.34Å; N375-I396 VanDerWaalsContact ND2-O 3.16Å; N375-I396 WeakPolarHBondContact O-CB 3.41Å; N375-I396 WeakPolarHBondContact O-CG1 3.28Å; N375-I396 PolarHBondContact O-N 3.07Å; V377-I396 HydrophobicContact CG2-CD1 3.72Å; V377-I396 HydrophobicContact CG2-CG1 4.01Å
397	P	79.3	Confident	75.2	Confident	37 Å²	37	68 Å²	68	24%	0.24	37%	0.374	C	S	.	.			trans	-57.3	142.1	174	-21.8	32.7	0	0	0	111.3	T395	T395-P397 WeakPolarHBondContact O-CD 3.39Å
398	K	71.1	Confident	75.1	Confident	191 Å²	191	63.8 Å²	63.8	83%	0.83	36%	0.358	S	S	*	.	S	Bend	trans	-77.9	-31.3	176.6	-69.4	-176.2	179.6	178.7	0	112.2
399	D	64.3	Low	74.5	Confident	153 Å²	153	68 Å²	68	82%	0.818	37%	0.374	S	S	*	.	S	Bend	trans	-113.4	96.8	175.7	-57.6	-44.4	0	0	0	108
400	A	60.2	Low	74	Confident	42 Å²	42	68.2 Å²	68.2	35%	0.347	38%	0.376	S	S	.	.			trans	-113.6	125.1	178.8	0	0	0	0	0	109.8	V354 S402	V354-A400 HydrophobicContact CG1-CB 4.29Å; A400-S402 PolarHBondContact O-N 2.91Å
401	D	64.1	Low	73.8	Confident	87 Å²	87	71.3 Å²	71.3	47%	0.465	39%	0.388	S	S	.	.			trans	-70.6	114.8	168.7	-175.9	-2.1	0	0	0	109.4	Q403 N404 P405	D401-Q403 PolarHBondContact O-N 3.25Å; D401-Q403 PolarHBondContact OD1-N 3.16Å; D401-N404 CarbonylContact O-C 3.51Å; D401-N404 VanDerWaalsContact O-C 3.25Å; D401-N404 PolarHBondContact O-N 3.13Å; D401-P405 WeakPolarHBondContact O-CA 3.45Å
402	S	61.8	Low	73.6	Confident	70 Å²	70	75.1 Å²	75.1	49%	0.49	40%	0.402	S	S	.	.	S	Bend	trans	-64.3	-20.6	179.7	58.8	0	0	0	0	114.5	A400	A400-S402 PolarHBondContact O-N 2.91Å
403	Q	61.2	Low	73.6	Confident	164 Å²	164	76.2 Å²	76.2	77%	0.766	41%	0.41	S	S	*	.	S	Bend	trans	-86.6	-37.6	178.8	-66.4	-171.1	2	0	0	111.8	D401	D401-Q403 PolarHBondContact O-N 3.25Å; D401-Q403 PolarHBondContact OD1-N 3.16Å
404	N	62.2	Low	73.4	Confident	124 Å²	124	78.2 Å²	78.2	66%	0.663	43%	0.425	S	S	*	.	S	Bend	trans	-130.1	78.8	176.8	-79.5	-28.8	0	0	0	110.7	D401 D406	D401-N404 CarbonylContact O-C 3.51Å; D401-N404 VanDerWaalsContact O-C 3.25Å; D401-N404 PolarHBondContact O-N 3.13Å; N404-D406 PolarHBondContact O-N 3.4Å
405	P	66.6	Low	73.3	Confident	16 Å²	16	78.1 Å²	78.1	10%	0.104	43%	0.425	C	S	.	.			trans	-67.1	127.5	-178.4	25.8	-33.9	0	0	0	111.1	F340 A353 D401	F340-P405 HydrophobicContact CD1-CG 3.84Å; F340-P405 HydrophobicContact CE1-CG 3.74Å; A353-P405 HydrophobicContact CB-CG 4.15Å; D401-P405 WeakPolarHBondContact O-CA 3.45Å
406	D	65.8	Low	73.2	Confident	102 Å²	102	74.4 Å²	74.4	55%	0.545	40%	0.402	S	S	.	.			trans	-56.5	153.2	178.9	-74.9	-35.9	0	0	0	112.5	Q356 N404 P408	Q356-D406 PolarHBondContact N-O 3.41Å; N404-D406 PolarHBondContact O-N 3.4Å; D406-P408 VanDerWaalsContact C-CD 3.43Å; D406-P408 WeakPolarHBondContact O-CD 3.38Å
407	A	67.1	Low	73.4	Confident	75 Å²	75	74.4 Å²	74.4	62%	0.62	40%	0.401	S	S	*	.			trans	-99.6	82.9	172	0	0	0	0	0	110	Q356	Q356-A407 HydrophobicContact CB-CB 4.38Å
408	P	69.6	Low	73.9	Confident	35 Å²	35	72.7 Å²	72.7	23%	0.227	39%	0.391	C	S	.	.			trans	-63.3	149.2	-176.9	24.8	-34.2	0	0	0	112.2	M355 Y394 D406 G410	M355-P408 HydrophobicContact CB-CG 4.04Å; M355-P408 HydrophobicContact CE-CG 4.18Å; M355-P408 HydrophobicContact SD-CG 3.9Å; Y394-P408 HydrophobicContact CD1-CG 4.17Å; D406-P408 VanDerWaalsContact C-CD 3.43Å; D406-P408 WeakPolarHBondContact O-CD 3.38Å; P408-G410 PolarHBondContact O-N 3.32Å
409	E	68.8	Low	74.9	Confident	190 Å²	190	63.9 Å²	63.9	89%	0.888	35%	0.353	S	S	*	.			trans	-66.4	92.8	175.3	-73.3	-165.1	156.7	0	0	111.5
410	G	74.2	Confident	76.2	Confident	6 Å²	6	57.1 Å²	57.1	6%	0.062	32%	0.316	C	S	.	.			trans	-72.5	135.9	172.9	0	0	0	0	0	112.7	R358 L393 P408	R358-G410 PolarHBondContact NH2-O 3.37Å; L393-G410 WeakPolarHBondContact O-CA 3.42Å; P408-G410 PolarHBondContact O-N 3.32Å
411	K	84.6	Confident	77.7	Confident	92 Å²	92	55.6 Å²	55.6	40%	0.4	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.7	173.8	-65.9	179.7	-179.2	179.9	0	110	L393 K441 N442	L393-K411 HydrophobicContact CB-CB 4.43Å; L393-K411 PolarHBondContact N-O 3Å; L393-K411 PolarHBondContact O-N 2.89Å; K411-K441 PolarHBondContact NZ-O 3.49Å; K411-K441 VanDerWaalsContact NZ-O 3.16Å; K411-N442 HydrophobicContact CD-CB 4.16Å
412	R	86.4	Confident	78.8	Confident	80 Å²	80	52.4 Å²	52.4	30%	0.302	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.5	177.6	-178.6	166.2	-67.5	179.8	-2	111.6	D392	D392-R412 WeakPolarHBondContact OD1-CA 3.35Å; D392-R412 WeakPolarHBondContact OD1-CB 3.35Å; D392-R412 WeakPolarHBondContact OD1-CG 3.12Å; D392-R412 IonicContact OD1-CZ 3.28Å; D392-R412 IonicContact OD1-NE 3.21Å; D392-R412 PolarHBondContact OD1-NE 3.02Å; D392-R412 IonicContact OD1-NH2 3.94Å; D392-R412 IonicContact OD2-CZ 3.71Å; D392-R412 IonicContact OD2-NE 3.51Å; D392-R412 IonicContact OD2-NH2 2.81Å; D392-R412 PolarHBondContact OD2-NH2 3.44Å
413	S	88.3	Confident	79.9	Confident	30 Å²	30	56.7 Å²	56.7	21%	0.21	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.8	172.7	-77.2	0	0	0	0	112.5	T390 Y391 N442	T390-S413 CarbonylContact C-O 3.54Å; T390-S413 VanDerWaalsContact CA-O 3.31Å; T390-S413 WeakPolarHBondContact CA-O 3.41Å; T390-S413 WeakPolarHBondContact CB-O 3.39Å; Y391-S413 WeakPolarHBondContact CD1-O 3.31Å; Y391-S413 PolarHBondContact N-O 3.5Å; Y391-S413 PolarHBondContact O-N 2.79Å; Y391-S413 WeakPolarHBondContact OH-CB 3.37Å; S413-N442 PolarHBondContact OG-ND2 3.22Å
414	S	86.9	Confident	81.2	Confident	50 Å²	50	52.4 Å²	52.4	35%	0.35	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.8	175.1	53.9	0	0	0	0	111.3	Y391	Y391-S414 WeakPolarHBondContact CE1-O 3.01Å
415	G	85.8	Confident	82.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.01	27%	0.265	C	S	.	.			trans	173.3	144.4	175.5	0	0	0	0	0	110.9	S389 L429	S389-G415 CarbonylContact C-O 3.59Å; S389-G415 PolarHBondContact O-N 3.35Å; G415-L429 WeakPolarHBondContact CA-O 3.46Å
416	L	84.9	Confident	83.8	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.068	26%	0.26	C	S	.	.	S	Bend	trans	-75.6	-47.4	179.5	-72.7	167.7	0	0	0	111.3	L386 L429	L386-L416 HydrophobicContact CB-CD2 4.08Å; L386-L416 HydrophobicContact CD2-CD2 4.26Å; L416-L429 HydrophobicContact CB-CB 4.5Å; L416-L429 HydrophobicContact CB-CD2 4.41Å; L416-L429 HydrophobicContact CD1-CD2 4.16Å; L416-L429 HydrophobicContact CD1-CG 4.36Å; L416-L429 PolarHBondContact N-O 3.09Å
417	T	87.5	Confident	85	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	144.5	178.2	41.5	0	0	0	0	110.2	V428 L429 E455 I456	T417-V428 WeakPolarHBondContact O-CA 3.43Å; T417-L429 PolarHBondContact O-N 3.24Å; T417-E455 HydrophobicContact CG2-CG 3.63Å; T417-I456 WeakPolarHBondContact OG1-CG1 3.27Å
418	A	91.1	Very high	86.2	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.017	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.7	178.2	0	0	0	0	0	109.9	L378 C380 Y391 A427 V428	L378-A418 HydrophobicContact CD1-CB 4.15Å; L378-A418 HydrophobicContact CD2-CB 4.43Å; C380-A418 PolarHBondContact SG-N 3.49Å; Y391-A418 HydrophobicContact CD1-CB 4.38Å; Y391-A418 HydrophobicContact CD2-CB 4.02Å; Y391-A418 HydrophobicContact CG-CB 3.87Å; A418-A427 CarbonylContact C-O 3.56Å; A418-A427 VanDerWaalsContact CA-O 3.27Å; A418-A427 WeakPolarHBondContact CA-O 3.36Å; A418-V428 HydrophobicContact CB-CG2 4.12Å
419	V	92.1	Very high	87.2	Confident	6 Å²	6	41 Å²	41	4%	0.036	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.5	-174.2	-178.6	0	0	0	0	110.2	F426 A427 I456 Y458 L464	V419-F426 CarbonylContact O-C 3.54Å; V419-F426 WeakPolarHBondContact O-CA 3.35Å; V419-F426 WeakPolarHBondContact O-CB 3.19Å; V419-A427 PolarHBondContact N-O 3.01Å; V419-A427 PolarHBondContact O-N 3.28Å; V419-I456 HydrophobicContact CB-CD1 4.45Å; V419-I456 HydrophobicContact CG2-CD1 4.35Å; V419-I456 HydrophobicContact CG2-CG1 4.13Å; V419-Y458 HydrophobicContact CG1-CD2 4.08Å; V419-Y458 HydrophobicContact CG1-CG 4.38Å; V419-L464 HydrophobicContact CG1-CD2 4.46Å
420	W	91.9	Very high	87.9	Confident	11 Å²	11	33.6 Å²	33.6	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	136.2	175.8	-64	107.3	0	0	0	112.1	S369 N371 A376 L378 L393 F426 L440 Y458	S369-W420 PolarHBondContact O-NE1 2.67Å; S369-W420 VanDerWaalsContact O-NE1 3.17Å; S369-W420 VanDerWaalsContact OG-CD1 3.3Å; N371-W420 HydrophobicContact CB-CD2 3.61Å; N371-W420 VanDerWaalsContact CB-CE2 3.44Å; N371-W420 HydrophobicContact CB-CE3 4.15Å; N371-W420 HydrophobicContact CB-CG 3.85Å; N371-W420 HydrophobicContact CB-CH2 4.43Å; N371-W420 HydrophobicContact CB-CZ2 3.89Å; A376-W420 HydrophobicContact CB-CH2 4.02Å; A376-W420 HydrophobicContact CB-CZ2 3.82Å; L378-W420 HydrophobicContact CD1-CD2 3.89Å; L378-W420 HydrophobicContact CD1-CG 4.17Å; L378-W420 HydrophobicContact CD1-CZ2 3.91Å; L378-W420 HydrophobicContact CD2-CZ2 4.4Å; L378-W420 HydrophobicContact CG-CZ2 3.71Å; L393-W420 HydrophobicContact CD1-CH2 3.83Å; L393-W420 HydrophobicContact CD1-CZ2 3.87Å; W420-F426 HydrophobicContact CD2-CB 4.13Å; W420-F426 HydrophobicContact CE3-CB 3.72Å; W420-F426 HydrophobicContact CE3-CD1 4.3Å; W420-F426 HydrophobicContact CE3-CG 4.46Å; W420-F426 HydrophobicContact CH2-CD1 4.13Å; W420-F426 HydrophobicContact CZ3-CB 4.08Å; W420-F426 AromaticContact CZ3-CD1 3.77Å; W420-F426 HydrophobicContact CZ3-CD1 3.77Å; W420-F426 HydrophobicContact CZ3-CG 4.35Å; W420-L440 HydrophobicContact CH2-CD2 3.54Å; W420-L440 HydrophobicContact CZ3-CD2 3.67Å; W420-Y458 VanDerWaalsContact O-CD2 3.31Å; W420-Y458 WeakPolarHBondContact O-CD2 3.19Å
421	V	90.3	Very high	88.2	Confident	9 Å²	9	38.7 Å²	38.7	6%	0.055	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-31.7	178.2	179	0	0	0	0	111.3	R425 A427 T461 G462 L464 V477	V421-R425 PolarHBondContact N-O 3.08Å; V421-A427 HydrophobicContact CG2-CB 3.56Å; V421-T461 CarbonylContact O-C 3.58Å; V421-T461 WeakPolarHBondContact O-CA 3.39Å; V421-T461 WeakPolarHBondContact O-CG2 3.41Å; V421-G462 PolarHBondContact O-N 2.97Å; V421-L464 HydrophobicContact CG2-CD1 4.08Å; V421-L464 HydrophobicContact CG2-CD2 3.73Å; V421-L464 HydrophobicContact CG2-CG 3.99Å; V421-V477 HydrophobicContact CG1-CB 4.21Å; V421-V477 HydrophobicContact CG1-CG1 4.45Å; V421-V477 HydrophobicContact CG1-CG2 4.06Å
422	A	86.8	Confident	87.9	Confident	21 Å²	21	41.5 Å²	41.5	17%	0.174	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	174	175.9	0	0	0	0	0	110.2	N424 R425	A422-N424 VanDerWaalsContact C-N 3.28Å; A422-N424 PolarHBondContact O-N 2.92Å; A422-N424 VanDerWaalsContact O-N 3.16Å; A422-R425 HydrophobicContact CB-CB 4.22Å; A422-R425 PolarHBondContact N-O 3.04Å; A422-R425 PolarHBondContact O-N 3.14Å
423	R	86.1	Confident	87.6	Confident	160 Å²	160	41.5 Å²	41.5	60%	0.604	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.3	-50.3	-180	-168	-177.2	170.7	156.6	1.6	113.7	N371 A373 E374	N371-R423 PolarHBondContact ND2-O 3.27Å; A373-R423 HydrophobicContact CB-CG 3.55Å; E374-R423 IonicContact OE1-CZ 3.63Å; E374-R423 IonicContact OE1-NE 3.43Å; E374-R423 PolarHBondContact OE1-NE 3.25Å; E374-R423 IonicContact OE1-NH2 3.71Å; E374-R423 PolarHBondContact OE1-NH2 3.13Å
424	N	88.4	Confident	87.5	Confident	74 Å²	74	40.9 Å²	40.9	40%	0.396	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	16.3	-175.6	-62.6	-12.6	0	0	0	113.1	E374 A422 L440	E374-N424 VanDerWaalsContact CG-OD1 3.3Å; E374-N424 WeakPolarHBondContact CG-OD1 3.38Å; E374-N424 PolarHBondContact OE1-OD1 3.42Å; A422-N424 VanDerWaalsContact C-N 3.28Å; A422-N424 PolarHBondContact O-N 2.92Å; A422-N424 VanDerWaalsContact O-N 3.16Å; N424-L440 HydrophobicContact CB-CD1 4.2Å; N424-L440 HydrophobicContact CB-CG 4.43Å
425	R	90.6	Very high	87.6	Confident	112 Å²	112	38.5 Å²	38.5	42%	0.423	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.1	-176.6	-61.6	-179.5	-69.6	-172.6	-2.2	112.1	V421 A422 I437 K438	V421-R425 PolarHBondContact N-O 3.08Å; A422-R425 HydrophobicContact CB-CB 4.22Å; A422-R425 PolarHBondContact N-O 3.04Å; A422-R425 PolarHBondContact O-N 3.14Å; R425-I437 HydrophobicContact CB-CG2 4.16Å; R425-K438 VanDerWaalsContact CA-O 3.24Å; R425-K438 WeakPolarHBondContact CA-O 3.31Å
426	F	92.4	Very high	87.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	153.2	173.3	61.2	-86	0	0	0	110.8	L378 Y391 L393 V419 W420 V428 I437 K438 N439	L378-F426 HydrophobicContact CD1-CB 3.75Å; L378-F426 HydrophobicContact CD1-CD2 4.04Å; L378-F426 HydrophobicContact CD1-CG 3.93Å; L378-F426 HydrophobicContact CD2-CD2 4.22Å; L378-F426 HydrophobicContact CD2-CE2 4.23Å; L378-F426 HydrophobicContact CD2-CG 4.45Å; L378-F426 HydrophobicContact CD2-CZ 4.48Å; Y391-F426 HydrophobicContact CD2-CE2 4.49Å; Y391-F426 AromaticContact CE2-CE2 3.65Å; Y391-F426 HydrophobicContact CE2-CE2 3.65Å; Y391-F426 HydrophobicContact CE2-CZ 4.09Å; L393-F426 HydrophobicContact CD2-CE1 4.04Å; L393-F426 HydrophobicContact CD2-CZ 4.34Å; V419-F426 CarbonylContact O-C 3.54Å; V419-F426 WeakPolarHBondContact O-CA 3.35Å; V419-F426 WeakPolarHBondContact O-CB 3.19Å; W420-F426 HydrophobicContact CD2-CB 4.13Å; W420-F426 HydrophobicContact CE3-CB 3.72Å; W420-F426 HydrophobicContact CE3-CD1 4.3Å; W420-F426 HydrophobicContact CE3-CG 4.46Å; W420-F426 HydrophobicContact CH2-CD1 4.13Å; W420-F426 HydrophobicContact CZ3-CB 4.08Å; W420-F426 AromaticContact CZ3-CD1 3.77Å; W420-F426 HydrophobicContact CZ3-CD1 3.77Å; W420-F426 HydrophobicContact CZ3-CG 4.35Å; F426-V428 HydrophobicContact CD2-CG2 3.53Å; F426-V428 HydrophobicContact CE2-CG2 3.39Å; F426-I437 WeakPolarHBondContact O-CA 3.25Å; F426-K438 HydrophobicContact CD1-CB 4.44Å; F426-K438 HydrophobicContact CD2-CB 4.27Å; F426-K438 HydrophobicContact CE1-CB 3.97Å; F426-K438 HydrophobicContact CE2-CB 3.78Å; F426-K438 HydrophobicContact CE2-CD 4Å; F426-K438 HydrophobicContact CE2-CG 4.36Å; F426-K438 HydrophobicContact CZ-CB 3.6Å; F426-K438 HydrophobicContact CZ-CD 4.07Å; F426-K438 HydrophobicContact CZ-CG 4.46Å; F426-K438 PolarHBondContact N-O 3.02Å; F426-K438 PolarHBondContact O-N 3.43Å; F426-N439 WeakPolarHBondContact CE1-O 3.32Å
427	A	92.1	Very high	88.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	142.3	173.2	0	0	0	0	0	110.1	A418 V419 V421 L435 L436 I437 I456 L464	A418-A427 CarbonylContact C-O 3.56Å; A418-A427 VanDerWaalsContact CA-O 3.27Å; A418-A427 WeakPolarHBondContact CA-O 3.36Å; V419-A427 PolarHBondContact N-O 3.01Å; V419-A427 PolarHBondContact O-N 3.28Å; V421-A427 HydrophobicContact CG2-CB 3.56Å; A427-L435 HydrophobicContact CB-CD1 3.97Å; A427-L436 CarbonylContact C-O 3.52Å; A427-L436 WeakPolarHBondContact CA-O 3.27Å; A427-I437 HydrophobicContact CB-CD1 3.62Å; A427-I456 HydrophobicContact CB-CD1 3.96Å; A427-L464 HydrophobicContact CB-CD1 3.68Å; A427-L464 HydrophobicContact CB-CD2 4.44Å
428	V	91.8	Very high	88.4	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	175.5	-178.7	0	0	0	0	108.1	Y391 T417 A418 F426 L436 K438	Y391-V428 HydrophobicContact CD1-CG1 4.04Å; Y391-V428 HydrophobicContact CE1-CB 4.39Å; Y391-V428 HydrophobicContact CE1-CG1 3.55Å; Y391-V428 HydrophobicContact CE1-CG2 3.89Å; Y391-V428 HydrophobicContact CE2-CG2 4.26Å; T417-V428 WeakPolarHBondContact O-CA 3.43Å; A418-V428 HydrophobicContact CB-CG2 4.12Å; F426-V428 HydrophobicContact CD2-CG2 3.53Å; F426-V428 HydrophobicContact CE2-CG2 3.39Å; V428-L436 HydrophobicContact CB-CB 4.49Å; V428-L436 PolarHBondContact N-O 2.88Å; V428-L436 PolarHBondContact O-N 2.96Å; V428-K438 HydrophobicContact CG2-CD 4.16Å; V428-K438 HydrophobicContact CG2-CG 4.47Å
429	L	90.1	Very high	88.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.5	166.7	-172.8	67.3	0	0	0	108.8	G415 L416 T417 D454 I456	G415-L429 WeakPolarHBondContact CA-O 3.46Å; L416-L429 HydrophobicContact CB-CB 4.5Å; L416-L429 HydrophobicContact CB-CD2 4.41Å; L416-L429 HydrophobicContact CD1-CD2 4.16Å; L416-L429 HydrophobicContact CD1-CG 4.36Å; L416-L429 PolarHBondContact N-O 3.09Å; T417-L429 PolarHBondContact O-N 3.24Å; L429-D454 WeakPolarHBondContact CD2-O 3.33Å; L429-I456 HydrophobicContact CB-CD1 4.45Å; L429-I456 HydrophobicContact CB-CG1 4.42Å; L429-I456 HydrophobicContact CB-CG2 4.46Å
430	D	84.6	Confident	88.1	Confident	34 Å²	34	43.5 Å²	43.5	18%	0.182	20%	0.201	C	C	.	.			trans	-78.6	167.5	179.8	-165.4	14.4	0	0	0	112	M432 H433 S434 L436	D430-M432 PolarHBondContact O-N 2.87Å; D430-H433 WeakPolarHBondContact O-CA 3.48Å; D430-H433 PolarHBondContact O-N 3.45Å; D430-S434 PolarHBondContact N-O 3.1Å; D430-L436 HydrophobicContact CB-CD1 3.85Å; D430-L436 HydrophobicContact CB-CG 4.21Å
431	R	79.3	Confident	87.8	Confident	114 Å²	114	49.8 Å²	49.8	43%	0.43	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.5	179.4	-61.8	174.2	-179.2	175.1	-6.4	113.3	E387 H433	E387-R431 WeakPolarHBondContact O-CD 3.33Å; E387-R431 PolarHBondContact O-NE 3.39Å; E387-R431 PolarHBondContact O-NH2 3.17Å; R431-H433 PolarHBondContact O-N 2.9Å
432	M	78.1	Confident	87.6	Confident	150 Å²	150	50.5 Å²	50.5	74%	0.739	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	15.9	174.6	-58.4	-177.6	73.2	0	0	113	D430 S434	D430-M432 PolarHBondContact O-N 2.87Å; M432-S434 PolarHBondContact O-N 3.18Å; M432-S434 VanDerWaalsContact O-N 3.11Å
433	H	81.3	Confident	87.7	Confident	80 Å²	80	54.5 Å²	54.5	37%	0.37	25%	0.247	S	C	.	.	S	Bend	trans	56.4	25.8	-176.7	-64.4	-92.2	0	0	0	114.4	D430 R431 C453	D430-H433 WeakPolarHBondContact O-CA 3.48Å; D430-H433 PolarHBondContact O-N 3.45Å; R431-H433 PolarHBondContact O-N 2.9Å; H433-C453 PolarHBondContact ND1-O 2.82Å
434	S	85.8	Confident	87.9	Confident	18 Å²	18	51.8 Å²	51.8	13%	0.126	24%	0.243	C	C	.	.			trans	-99.7	144.9	176	78.4	0	0	0	0	111.6	D430 M432 K447	D430-S434 PolarHBondContact N-O 3.1Å; M432-S434 PolarHBondContact O-N 3.18Å; M432-S434 VanDerWaalsContact O-N 3.11Å; S434-K447 WeakPolarHBondContact OG-CE 3.29Å
435	L	89.6	Confident	87.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	118	-177.5	-169.3	71.3	0	0	0	110.8	A427 I437 V448 V450 I456 L464	A427-L435 HydrophobicContact CB-CD1 3.97Å; L435-I437 HydrophobicContact CD2-CD1 4.45Å; L435-I437 HydrophobicContact CG-CD1 4.44Å; L435-V448 HydrophobicContact CB-CB 4.33Å; L435-V448 HydrophobicContact CD2-CB 4.28Å; L435-V448 PolarHBondContact N-O 3.49Å; L435-V448 PolarHBondContact O-N 3.36Å; L435-V450 HydrophobicContact CB-CG1 4.04Å; L435-V450 HydrophobicContact CB-CG2 4Å; L435-V450 HydrophobicContact CD2-CG1 3.98Å; L435-I456 HydrophobicContact CD1-CD1 3.96Å; L435-I456 HydrophobicContact CD1-CG2 4.08Å; L435-L464 HydrophobicContact CD1-CD1 4.11Å; L435-L464 HydrophobicContact CD2-CD1 3.75Å
436	L	91.2	Very high	87.7	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.079	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.2	178.6	-56.3	179.5	0	0	0	110.1	A427 V428 D430 I444 K447	A427-L436 CarbonylContact C-O 3.52Å; A427-L436 WeakPolarHBondContact CA-O 3.27Å; V428-L436 HydrophobicContact CB-CB 4.49Å; V428-L436 PolarHBondContact N-O 2.88Å; V428-L436 PolarHBondContact O-N 2.96Å; D430-L436 HydrophobicContact CB-CD1 3.85Å; D430-L436 HydrophobicContact CB-CG 4.21Å; L436-I444 HydrophobicContact CD1-CD1 4.26Å; L436-K447 HydrophobicContact CD2-CB 4.19Å; L436-K447 HydrophobicContact CD2-CD 4Å; L436-K447 HydrophobicContact CD2-CG 3.8Å
437	I	91.6	Very high	87.5	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.7	171.6	-51.9	-55.6	0	0	0	108.6	R425 F426 A427 L435 T445 K446 V448 V477	R425-I437 HydrophobicContact CB-CG2 4.16Å; F426-I437 WeakPolarHBondContact O-CA 3.25Å; A427-I437 HydrophobicContact CB-CD1 3.62Å; L435-I437 HydrophobicContact CD2-CD1 4.45Å; L435-I437 HydrophobicContact CG-CD1 4.44Å; I437-T445 PolarHBondContact O-N 3.38Å; I437-K446 HydrophobicContact CB-CB 4.16Å; I437-K446 HydrophobicContact CG1-CB 4.42Å; I437-K446 PolarHBondContact N-O 2.82Å; I437-K446 PolarHBondContact O-N 3.23Å; I437-V448 HydrophobicContact CG1-CG2 4.25Å; I437-V477 HydrophobicContact CD1-CG1 3.67Å; I437-V477 HydrophobicContact CG1-CG1 3.94Å
438	K	91.9	Very high	87.1	Confident	20 Å²	20	56.8 Å²	56.8	9%	0.087	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155	-176.3	-64.7	-165.9	170.8	-153.3	0	112.8	Y391 R425 F426 V428 N442 E443 I444	Y391-K438 VanDerWaalsContact OH-CD 3.27Å; Y391-K438 WeakPolarHBondContact OH-CD 3.13Å; Y391-K438 VanDerWaalsContact OH-CE 3.25Å; Y391-K438 WeakPolarHBondContact OH-CE 3.45Å; Y391-K438 PolarHBondContact OH-NZ 3.45Å; R425-K438 VanDerWaalsContact CA-O 3.24Å; R425-K438 WeakPolarHBondContact CA-O 3.31Å; F426-K438 HydrophobicContact CD1-CB 4.44Å; F426-K438 HydrophobicContact CD2-CB 4.27Å; F426-K438 HydrophobicContact CE1-CB 3.97Å; F426-K438 HydrophobicContact CE2-CB 3.78Å; F426-K438 HydrophobicContact CE2-CD 4Å; F426-K438 HydrophobicContact CE2-CG 4.36Å; F426-K438 HydrophobicContact CZ-CB 3.6Å; F426-K438 HydrophobicContact CZ-CD 4.07Å; F426-K438 HydrophobicContact CZ-CG 4.46Å; F426-K438 PolarHBondContact N-O 3.02Å; F426-K438 PolarHBondContact O-N 3.43Å; V428-K438 HydrophobicContact CG2-CD 4.16Å; V428-K438 HydrophobicContact CG2-CG 4.47Å; K438-N442 WeakPolarHBondContact CD-OD1 3.2Å; K438-N442 PolarHBondContact NZ-O 3.13Å; K438-N442 PolarHBondContact NZ-OD1 2.82Å; K438-E443 WeakPolarHBondContact CA-O 3.37Å; K438-E443 WeakPolarHBondContact CB-O 3.41Å; K438-I444 HydrophobicContact CG-CG1 4.36Å
439	N	90.4	Very high	86.6	Confident	38 Å²	38	65.8 Å²	65.8	20%	0.203	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	174.8	173	70.5	10.3	0	0	0	111.9	F426 K441 N442 E443	F426-N439 WeakPolarHBondContact CE1-O 3.32Å; N439-K441 PolarHBondContact O-N 3.45Å; N439-K441 WeakPolarHBondContact OD1-CA 3.01Å; N439-K441 WeakPolarHBondContact OD1-CB 3.21Å; N439-K441 PolarHBondContact OD1-N 3.23Å; N439-N442 WeakPolarHBondContact O-CA 3.3Å; N439-N442 PolarHBondContact O-N 3.49Å; N439-N442 PolarHBondContact OD1-N 3.11Å; N439-E443 PolarHBondContact N-O 2.99Å; N439-E443 PolarHBondContact ND2-OE2 3.04Å; N439-E443 PolarHBondContact OD1-N 3.38Å
440	L	86	Confident	86.1	Confident	52 Å²	52	66.7 Å²	66.7	27%	0.272	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.1	176.2	-64.7	171.2	0	0	0	114.2	E374 L393 W420 N424 N442	E374-L440 HydrophobicContact CB-CD1 4.3Å; E374-L440 HydrophobicContact CG-CD1 3.96Å; L393-L440 WeakPolarHBondContact CD2-O 3.43Å; W420-L440 HydrophobicContact CH2-CD2 3.54Å; W420-L440 HydrophobicContact CZ3-CD2 3.67Å; N424-L440 HydrophobicContact CB-CD1 4.2Å; N424-L440 HydrophobicContact CB-CG 4.43Å; L440-N442 PolarHBondContact O-N 3.35Å
441	K	84.8	Confident	85.7	Confident	142 Å²	142	69.2 Å²	69.2	62%	0.617	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7.5	173.1	-67.7	-173.7	179.6	-178.1	0	113	K411 N439 E443	K411-K441 PolarHBondContact NZ-O 3.49Å; K411-K441 VanDerWaalsContact NZ-O 3.16Å; N439-K441 PolarHBondContact O-N 3.45Å; N439-K441 WeakPolarHBondContact OD1-CA 3.01Å; N439-K441 WeakPolarHBondContact OD1-CB 3.21Å; N439-K441 PolarHBondContact OD1-N 3.23Å; K441-E443 HydrophobicContact CB-CG 4.18Å
442	N	87.1	Confident	85.8	Confident	24 Å²	24	70.4 Å²	70.4	13%	0.128	35%	0.352	C	S	.	.			trans	75.2	18.9	-175.4	-164.8	23.2	0	0	0	114.5	Y391 K411 S413 K438 N439 L440	Y391-N442 PolarHBondContact OH-OD1 3.16Å; K411-N442 HydrophobicContact CD-CB 4.16Å; S413-N442 PolarHBondContact OG-ND2 3.22Å; K438-N442 WeakPolarHBondContact CD-OD1 3.2Å; K438-N442 PolarHBondContact NZ-O 3.13Å; K438-N442 PolarHBondContact NZ-OD1 2.82Å; N439-N442 WeakPolarHBondContact O-CA 3.3Å; N439-N442 PolarHBondContact O-N 3.49Å; N439-N442 PolarHBondContact OD1-N 3.11Å; L440-N442 PolarHBondContact O-N 3.35Å
443	E	88.8	Confident	86.1	Confident	106 Å²	106	63.3 Å²	63.3	50%	0.495	32%	0.317	S	S	.	.			trans	-87.3	145.2	176.4	-60.5	158.2	177.4	0	0	110.4	K438 N439 K441 T445	K438-E443 WeakPolarHBondContact CA-O 3.37Å; K438-E443 WeakPolarHBondContact CB-O 3.41Å; N439-E443 PolarHBondContact N-O 2.99Å; N439-E443 PolarHBondContact ND2-OE2 3.04Å; N439-E443 PolarHBondContact OD1-N 3.38Å; K441-E443 HydrophobicContact CB-CG 4.18Å; E443-T445 PolarHBondContact O-N 2.81Å
444	I	90.3	Very high	86.2	Confident	102 Å²	102	62.4 Å²	62.4	52%	0.523	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.1	179.6	-58.4	170.1	0	0	0	108.9	L436 K438	L436-I444 HydrophobicContact CD1-CD1 4.26Å; K438-I444 HydrophobicContact CG-CG1 4.36Å
445	T	88.1	Confident	86.3	Confident	81 Å²	81	62.2 Å²	62.2	50%	0.497	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-39.2	175.4	-44.6	0	0	0	0	111.6	I437 E443	I437-T445 PolarHBondContact O-N 3.38Å; E443-T445 PolarHBondContact O-N 2.81Å
446	K	86.8	Confident	86.4	Confident	73 Å²	73	62.4 Å²	62.4	32%	0.317	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	135.7	-175.8	-166.4	178.4	-177.7	-173.8	0	110.7	I437 V448	I437-K446 HydrophobicContact CB-CB 4.16Å; I437-K446 HydrophobicContact CG1-CB 4.42Å; I437-K446 PolarHBondContact N-O 2.82Å; I437-K446 PolarHBondContact O-N 3.23Å; K446-V448 HydrophobicContact CD-CG2 4.27Å; K446-V448 HydrophobicContact CG-CG2 4.23Å
447	K	87.8	Confident	86.5	Confident	134 Å²	134	62.7 Å²	62.7	58%	0.583	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.7	167.1	-172.8	165.9	-174.1	178.8	0	108.8	S434 L436	S434-K447 WeakPolarHBondContact OG-CE 3.29Å; L436-K447 HydrophobicContact CD2-CB 4.19Å; L436-K447 HydrophobicContact CD2-CD 4Å; L436-K447 HydrophobicContact CD2-CG 3.8Å
448	V	84.8	Confident	86.4	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.6	179.4	-176.3	0	0	0	0	108.1	L435 I437 K446 V450 F475	L435-V448 HydrophobicContact CB-CB 4.33Å; L435-V448 HydrophobicContact CD2-CB 4.28Å; L435-V448 PolarHBondContact N-O 3.49Å; L435-V448 PolarHBondContact O-N 3.36Å; I437-V448 HydrophobicContact CG1-CG2 4.25Å; K446-V448 HydrophobicContact CD-CG2 4.27Å; K446-V448 HydrophobicContact CG-CG2 4.23Å; V448-V450 HydrophobicContact CG1-CG1 4.09Å; V448-F475 HydrophobicContact CG1-CE1 3.97Å; V448-F475 HydrophobicContact CG1-CZ 3.95Å
449	Q	81.1	Confident	86.3	Confident	190 Å²	190	66 Å²	66	89%	0.888	33%	0.328	S	S	*	.			trans	-78.8	125.5	172.3	-167.2	169.1	2.3	0	0	108.1
450	V	79.7	Confident	86	Confident	19 Å²	19	64.8 Å²	64.8	12%	0.115	32%	0.324	C	S	.	.			trans	-126	157.4	-178.9	-69.4	0	0	0	0	109.1	L435 V448 L466 F475	L435-V450 HydrophobicContact CB-CG1 4.04Å; L435-V450 HydrophobicContact CB-CG2 4Å; L435-V450 HydrophobicContact CD2-CG1 3.98Å; V448-V450 HydrophobicContact CG1-CG1 4.09Å; V450-L466 HydrophobicContact CB-CD1 4.04Å; V450-L466 HydrophobicContact CG1-CD1 3.95Å; V450-F475 HydrophobicContact CG1-CE1 4.19Å; V450-F475 HydrophobicContact CG1-CZ 4.13Å
451	P	76.4	Confident	86	Confident	86 Å²	86	67.5 Å²	67.5	56%	0.558	34%	0.343	S	S	*	.	S	Bend	trans	-54.7	162.8	167.9	-22.2	33.5	0	0	0	111.5	C453	P451-C453 WeakPolarHBondContact O-CB 3.45Å; P451-C453 PolarHBondContact O-N 3.38Å
452	N	80.4	Confident	86.1	Confident	140 Å²	140	60.9 Å²	60.9	75%	0.749	32%	0.315	S	S	*	.	S	Bend	trans	-50.4	116.5	176.5	-80.1	-7.8	0	0	0	109.8
453	C	84.3	Confident	86.2	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	32%	0.317	C	S	.	.			trans	-134.8	125.7	-172.4	175.3	0	0	0	0	108.3	H433 P451 E455 R467	H433-C453 PolarHBondContact ND1-O 2.82Å; P451-C453 WeakPolarHBondContact O-CB 3.45Å; P451-C453 PolarHBondContact O-N 3.38Å; C453-E455 PolarHBondContact SG-O 2.92Å; C453-R467 CarbonylContact C-O 3.59Å; C453-R467 WeakPolarHBondContact CA-O 3.44Å
454	D	84.1	Confident	86.4	Confident	60 Å²	60	56.2 Å²	56.2	32%	0.321	29%	0.294	S	S	.	.	S	Bend	trans	-86.7	-30.8	178.5	-69.2	-20.3	0	0	0	112.3	L429 R467	L429-D454 WeakPolarHBondContact CD2-O 3.33Å; D454-R467 PolarHBondContact N-O 3.45Å; D454-R467 IonicContact OD2-CZ 3.72Å; D454-R467 VanDerWaalsContact OD2-CZ 3.29Å; D454-R467 IonicContact OD2-NH1 3.53Å; D454-R467 PolarHBondContact OD2-NH1 2.8Å; D454-R467 IonicContact OD2-NH2 2.87Å; D454-R467 PolarHBondContact OD2-NH2 3.5Å; D454-R467 VanDerWaalsContact OD2-NH2 3.07Å
455	E	87.5	Confident	86.5	Confident	15 Å²	15	51.3 Å²	51.3	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	146.2	-171	-153.2	158.3	-144.6	0	0	112	R382 T417 C453 F457 R467	R382-E455 IonicContact CZ-OE1 2.73Å; R382-E455 IonicContact NH1-OE1 3.41Å; R382-E455 PolarHBondContact NH1-OE1 3.37Å; R382-E455 IonicContact NH2-OE1 3.44Å; R382-E455 PolarHBondContact NH2-OE1 2.99Å; T417-E455 HydrophobicContact CG2-CG 3.63Å; C453-E455 PolarHBondContact SG-O 2.92Å; E455-F457 HydrophobicContact CG-CZ 4.27Å; E455-R467 HydrophobicContact CB-CB 4.24Å; E455-R467 WeakPolarHBondContact O-CB 3.19Å; E455-R467 PolarHBondContact O-N 3.31Å; E455-R467 IonicContact OE2-NE 3.38Å
456	I	92.2	Very high	86.7	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.4	177.5	61.4	170.4	0	0	0	111.7	T417 V419 A427 L429 L435 L465 L466	T417-I456 WeakPolarHBondContact OG1-CG1 3.27Å; V419-I456 HydrophobicContact CB-CD1 4.45Å; V419-I456 HydrophobicContact CG2-CD1 4.35Å; V419-I456 HydrophobicContact CG2-CG1 4.13Å; A427-I456 HydrophobicContact CB-CD1 3.96Å; L429-I456 HydrophobicContact CB-CD1 4.45Å; L429-I456 HydrophobicContact CB-CG1 4.42Å; L429-I456 HydrophobicContact CB-CG2 4.46Å; L435-I456 HydrophobicContact CD1-CD1 3.96Å; L435-I456 HydrophobicContact CD1-CG2 4.08Å; I456-L465 CarbonylContact C-O 3.53Å; I456-L465 WeakPolarHBondContact CA-O 3.34Å; I456-L466 HydrophobicContact CG2-CD2 3.65Å
457	F	91.8	Very high	86.8	Confident	22 Å²	22	45.9 Å²	45.9	10%	0.096	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.9	174.9	-55	-84.1	0	0	0	111.9	E455 L465 R467 I472 V494	E455-F457 HydrophobicContact CG-CZ 4.27Å; F457-L465 HydrophobicContact CB-CB 4.04Å; F457-L465 PolarHBondContact N-O 2.79Å; F457-L465 PolarHBondContact O-N 2.82Å; F457-R467 HydrophobicContact CE2-CB 3.99Å; F457-I472 HydrophobicContact CD2-CD1 4.29Å; F457-V494 HydrophobicContact CB-CB 4.14Å; F457-V494 HydrophobicContact CB-CG2 3.87Å; F457-V494 HydrophobicContact CD1-CB 4.22Å; F457-V494 HydrophobicContact CD1-CG2 3.87Å; F457-V494 HydrophobicContact CD2-CG2 3.63Å; F457-V494 HydrophobicContact CE1-CG2 4.3Å; F457-V494 HydrophobicContact CE2-CG2 4.07Å; F457-V494 HydrophobicContact CG-CB 4.12Å; F457-V494 HydrophobicContact CG-CG2 3.51Å; F457-V494 HydrophobicContact CZ-CG2 4.4Å
458	Y	90.6	Very high	86.8	Confident	87 Å²	87	42.5 Å²	42.5	34%	0.341	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138.3	175.7	-177.9	-105.3	0	0	0	110.7	V419 W420 G460 W496 M500	V419-Y458 HydrophobicContact CG1-CD2 4.08Å; V419-Y458 HydrophobicContact CG1-CG 4.38Å; W420-Y458 VanDerWaalsContact O-CD2 3.31Å; W420-Y458 WeakPolarHBondContact O-CD2 3.19Å; Y458-G460 VanDerWaalsContact CZ-CA 3.49Å; Y458-G460 WeakPolarHBondContact OH-CA 3.24Å; Y458-W496 PolarHBondContact O-NE1 3.47Å; Y458-M500 HydrophobicContact CE1-CE 4.26Å; Y458-M500 HydrophobicContact CE1-SD 4.25Å
459	A	88.9	Confident	86.7	Confident	9 Å²	9	44.2 Å²	44.2	7%	0.074	24%	0.241	C	C	.	.			trans	-140.1	28	-178.9	0	0	0	0	0	113	N463 L465 L474 W496	A459-N463 HydrophobicContact CB-CB 4.04Å; A459-N463 WeakPolarHBondContact O-CB 3.44Å; A459-L465 HydrophobicContact CB-CB 4.46Å; A459-L465 HydrophobicContact CB-CD1 4.21Å; A459-L465 HydrophobicContact CB-CG 3.76Å; A459-L474 HydrophobicContact CB-CD1 3.66Å; A459-W496 HydrophobicContact CB-CZ2 4.13Å
460	G	85.1	Confident	86.9	Confident	12 Å²	12	39.6 Å²	39.6	12%	0.124	22%	0.222	C	C	.	.	S	Bend	trans	93	173.9	-170.9	0	0	0	0	0	113	Y458 G462 N463	Y458-G460 VanDerWaalsContact CZ-CA 3.49Å; Y458-G460 WeakPolarHBondContact OH-CA 3.24Å; G460-G462 PolarHBondContact O-N 2.86Å; G460-N463 PolarHBondContact O-N 3.17Å
461	T	86.4	Confident	87.4	Confident	108 Å²	108	39.7 Å²	39.7	66%	0.663	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	126.4	-179.7	-50	0	0	0	0	110.9	V421 N463	V421-T461 CarbonylContact O-C 3.58Å; V421-T461 WeakPolarHBondContact O-CA 3.39Å; V421-T461 WeakPolarHBondContact O-CG2 3.41Å; T461-N463 VanDerWaalsContact C-N 3.3Å; T461-N463 PolarHBondContact O-N 2.98Å
462	G	85.4	Confident	88.1	Confident	4 Å²	4	35.6 Å²	35.6	4%	0.041	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-12.6	-179.8	0	0	0	0	0	115.5	V421 G460 V477	V421-G462 PolarHBondContact O-N 2.97Å; G460-G462 PolarHBondContact O-N 2.86Å; G462-V477 WeakPolarHBondContact O-CB 3.48Å; G462-V477 PolarHBondContact O-N 3.06Å
463	N	90.6	Very high	88.7	Confident	31 Å²	31	30 Å²	30	17%	0.166	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.1	-175.3	-65.3	-26	0	0	0	111.9	A459 G460 T461 L474 F475	A459-N463 HydrophobicContact CB-CB 4.04Å; A459-N463 WeakPolarHBondContact O-CB 3.44Å; G460-N463 PolarHBondContact O-N 3.17Å; T461-N463 VanDerWaalsContact C-N 3.3Å; T461-N463 PolarHBondContact O-N 2.98Å; N463-L474 HydrophobicContact CB-CD1 4.21Å; N463-F475 CarbonylContact C-O 3.56Å; N463-F475 WeakPolarHBondContact CA-O 3.45Å
464	L	91.7	Very high	89.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.3	175.6	-71.4	173.9	0	0	0	110.5	V419 V421 A427 L435 L466 F475 V477	V419-L464 HydrophobicContact CG1-CD2 4.46Å; V421-L464 HydrophobicContact CG2-CD1 4.08Å; V421-L464 HydrophobicContact CG2-CD2 3.73Å; V421-L464 HydrophobicContact CG2-CG 3.99Å; A427-L464 HydrophobicContact CB-CD1 3.68Å; A427-L464 HydrophobicContact CB-CD2 4.44Å; L435-L464 HydrophobicContact CD1-CD1 4.11Å; L435-L464 HydrophobicContact CD2-CD1 3.75Å; L464-L466 HydrophobicContact CB-CD2 4.28Å; L464-F475 PolarHBondContact N-O 3.07Å; L464-F475 PolarHBondContact O-N 2.91Å; L464-V477 HydrophobicContact CB-CG2 4.38Å; L464-V477 HydrophobicContact CD1-CG2 3.55Å; L464-V477 HydrophobicContact CG-CG2 3.76Å
465	L	92.6	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.4	165.1	-77.3	165.6	0	0	0	108.3	I456 F457 A459 I472 T473 L474 V494 W496 L527	I456-L465 CarbonylContact C-O 3.53Å; I456-L465 WeakPolarHBondContact CA-O 3.34Å; F457-L465 HydrophobicContact CB-CB 4.04Å; F457-L465 PolarHBondContact N-O 2.79Å; F457-L465 PolarHBondContact O-N 2.82Å; A459-L465 HydrophobicContact CB-CB 4.46Å; A459-L465 HydrophobicContact CB-CD1 4.21Å; A459-L465 HydrophobicContact CB-CG 3.76Å; L465-I472 HydrophobicContact CB-CD1 4.1Å; L465-I472 HydrophobicContact CB-CG1 4.19Å; L465-I472 HydrophobicContact CD1-CD1 4.33Å; L465-I472 HydrophobicContact CD2-CD1 4.32Å; L465-I472 HydrophobicContact CD2-CG1 4.15Å; L465-I472 HydrophobicContact CG-CD1 4.48Å; L465-T473 CarbonylContact C-O 3.44Å; L465-T473 WeakPolarHBondContact CA-O 3.32Å; L465-L474 HydrophobicContact CD2-CB 4.13Å; L465-L474 HydrophobicContact CD2-CD1 4.1Å; L465-L474 HydrophobicContact CG-CD1 4.4Å; L465-V494 HydrophobicContact CD1-CG1 3.59Å; L465-V494 HydrophobicContact CD1-CG2 4.32Å; L465-W496 HydrophobicContact CD1-CZ2 3.87Å; L465-L527 HydrophobicContact CD2-CD1 3.76Å; L465-L527 HydrophobicContact CD2-CD2 4.1Å; L465-L527 HydrophobicContact CD2-CG 4.34Å
466	L	91.6	Very high	89.6	Confident	8 Å²	8	28 Å²	28	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.9	176.7	-53.9	-177.2	0	0	0	108.6	V450 I456 L464 I472 T473 F475	V450-L466 HydrophobicContact CB-CD1 4.04Å; V450-L466 HydrophobicContact CG1-CD1 3.95Å; I456-L466 HydrophobicContact CG2-CD2 3.65Å; L464-L466 HydrophobicContact CB-CD2 4.28Å; L466-I472 WeakPolarHBondContact O-CA 3.42Å; L466-T473 PolarHBondContact N-O 2.85Å; L466-T473 PolarHBondContact O-N 2.99Å; L466-F475 HydrophobicContact CD1-CB 3.68Å; L466-F475 HydrophobicContact CD1-CD1 4.33Å; L466-F475 HydrophobicContact CD1-CD2 4.05Å; L466-F475 HydrophobicContact CD1-CG 3.77Å; L466-F475 HydrophobicContact CG-CB 3.85Å; L466-F475 HydrophobicContact CG-CG 4.4Å
467	R	90.7	Very high	89.3	Confident	32 Å²	32	28.3 Å²	28.3	12%	0.121	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.3	176.4	-176.9	-176.3	77.1	70.8	-7.7	110.6	C453 D454 E455 F457 V491	C453-R467 CarbonylContact C-O 3.59Å; C453-R467 WeakPolarHBondContact CA-O 3.44Å; D454-R467 PolarHBondContact N-O 3.45Å; D454-R467 IonicContact OD2-CZ 3.72Å; D454-R467 VanDerWaalsContact OD2-CZ 3.29Å; D454-R467 IonicContact OD2-NH1 3.53Å; D454-R467 PolarHBondContact OD2-NH1 2.8Å; D454-R467 IonicContact OD2-NH2 2.87Å; D454-R467 PolarHBondContact OD2-NH2 3.5Å; D454-R467 VanDerWaalsContact OD2-NH2 3.07Å; E455-R467 HydrophobicContact CB-CB 4.24Å; E455-R467 WeakPolarHBondContact O-CB 3.19Å; E455-R467 PolarHBondContact O-N 3.31Å; E455-R467 IonicContact OE2-NE 3.38Å; F457-R467 HydrophobicContact CE2-CB 3.99Å; R467-V491 WeakPolarHBondContact CD-O 3.35Å
468	D	87.6	Confident	89	Confident	62 Å²	62	33.4 Å²	33.4	33%	0.332	18%	0.183	S	C	.	.			trans	-96.4	178.8	165.6	-170.5	13.1	0	0	0	110.2	D470 S471	D468-D470 VanDerWaalsContact C-N 3.28Å; D468-D470 PolarHBondContact O-N 3.35Å; D468-S471 PolarHBondContact N-O 3.42Å
469	A	82	Confident	88.8	Confident	40 Å²	40	34.4 Å²	34.4	33%	0.331	19%	0.191	S	C	.	.	S	Bend	trans	-57.3	-43.9	174.7	0	0	0	0	0	111.6	S489 K490	A469-S489 VanDerWaalsContact O-CA 3.31Å; A469-S489 WeakPolarHBondContact O-CA 3.36Å; A469-K490 PolarHBondContact O-N 3.27Å
470	D	86.1	Confident	88.7	Confident	92 Å²	92	39.9 Å²	39.9	49%	0.492	21%	0.213	S	C	.	.	S	Bend	trans	-120.1	-2.4	-169.7	-67.5	-29.5	0	0	0	114.8	D468 K487 I488	D468-D470 VanDerWaalsContact C-N 3.28Å; D468-D470 PolarHBondContact O-N 3.35Å; D470-K487 CarbonylContact O-C 3.58Å; D470-I488 CarbonylContact C-O 3.57Å; D470-I488 CarbonylContact O-C 3.57Å; D470-I488 VanDerWaalsContact O-C 3.27Å; D470-I488 PolarHBondContact O-N 3.22Å
471	S	89.2	Confident	88.9	Confident	22 Å²	22	46 Å²	46	15%	0.154	23%	0.233	C	C	.	.			trans	-144.7	159.6	-177.7	71.6	0	0	0	0	113.3	D468 V486 I488	D468-S471 PolarHBondContact N-O 3.42Å; S471-V486 CarbonylContact C-O 3.56Å; S471-V486 VanDerWaalsContact CA-O 3.32Å; S471-V486 WeakPolarHBondContact CA-O 3.48Å; S471-I488 PolarHBondContact N-O 2.81Å
472	I	91.8	Very high	89	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.2	166.5	-158.5	170	0	0	0	109.3	F457 L465 L466 S485 V486 V491 V494 L505	F457-I472 HydrophobicContact CD2-CD1 4.29Å; L465-I472 HydrophobicContact CB-CD1 4.1Å; L465-I472 HydrophobicContact CB-CG1 4.19Å; L465-I472 HydrophobicContact CD1-CD1 4.33Å; L465-I472 HydrophobicContact CD2-CD1 4.32Å; L465-I472 HydrophobicContact CD2-CG1 4.15Å; L465-I472 HydrophobicContact CG-CD1 4.48Å; L466-I472 WeakPolarHBondContact O-CA 3.42Å; I472-S485 CarbonylContact O-C 3.53Å; I472-S485 WeakPolarHBondContact O-CA 3.35Å; I472-S485 PolarHBondContact O-OG 2.95Å; I472-V486 HydrophobicContact CG2-CB 4.18Å; I472-V486 PolarHBondContact N-O 3.24Å; I472-V486 PolarHBondContact O-N 3.16Å; I472-V491 HydrophobicContact CB-CG2 4.43Å; I472-V491 HydrophobicContact CD1-CB 4.35Å; I472-V491 HydrophobicContact CD1-CG1 4.09Å; I472-V491 HydrophobicContact CD1-CG2 4.4Å; I472-V494 HydrophobicContact CD1-CG2 3.91Å; I472-L505 HydrophobicContact CD1-CD2 3.96Å; I472-L505 HydrophobicContact CG2-CD1 3.82Å
473	T	92.1	Very high	89.2	Confident	22 Å²	22	47.7 Å²	47.7	14%	0.135	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.9	-170.5	-61.7	0	0	0	0	110.4	L465 L466 T482 A484 S485	L465-T473 CarbonylContact C-O 3.44Å; L465-T473 WeakPolarHBondContact CA-O 3.32Å; L466-T473 PolarHBondContact N-O 2.85Å; L466-T473 PolarHBondContact O-N 2.99Å; T473-T482 HydrophobicContact CG2-CG2 3.26Å; T473-A484 CarbonylContact C-O 3.54Å; T473-A484 WeakPolarHBondContact CA-O 3.49Å; T473-S485 PolarHBondContact OG1-OG 2.81Å; T473-S485 VanDerWaalsContact OG1-OG 3.08Å
474	L	92.6	Very high	89.2	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119	171.8	-177.4	66.2	0	0	0	109.4	A459 N463 L465 L483 A484 L527	A459-L474 HydrophobicContact CB-CD1 3.66Å; N463-L474 HydrophobicContact CB-CD1 4.21Å; L465-L474 HydrophobicContact CD2-CB 4.13Å; L465-L474 HydrophobicContact CD2-CD1 4.1Å; L465-L474 HydrophobicContact CG-CD1 4.4Å; L474-L483 HydrophobicContact CB-CB 4.46Å; L474-L483 HydrophobicContact CD2-CB 4.07Å; L474-L483 HydrophobicContact CD2-CD1 4.07Å; L474-L483 HydrophobicContact CG-CB 4.17Å; L474-L483 HydrophobicContact CG-CD1 4.18Å; L474-L483 PolarHBondContact O-N 2.91Å; L474-A484 HydrophobicContact CB-CB 4.47Å; L474-A484 PolarHBondContact N-O 3.26Å; L474-L527 HydrophobicContact CB-CD1 3.48Å; L474-L527 VanDerWaalsContact CB-CD1 3.48Å; L474-L527 HydrophobicContact CB-CG 4.13Å
475	F	91.7	Very high	89.1	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.035	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.3	-173	-175.1	-95.9	0	0	0	111.3	V448 V450 N463 L464 L466 V477 K480	V448-F475 HydrophobicContact CG1-CE1 3.97Å; V448-F475 HydrophobicContact CG1-CZ 3.95Å; V450-F475 HydrophobicContact CG1-CE1 4.19Å; V450-F475 HydrophobicContact CG1-CZ 4.13Å; N463-F475 CarbonylContact C-O 3.56Å; N463-F475 WeakPolarHBondContact CA-O 3.45Å; L464-F475 PolarHBondContact N-O 3.07Å; L464-F475 PolarHBondContact O-N 2.91Å; L466-F475 HydrophobicContact CD1-CB 3.68Å; L466-F475 HydrophobicContact CD1-CD1 4.33Å; L466-F475 HydrophobicContact CD1-CD2 4.05Å; L466-F475 HydrophobicContact CD1-CG 3.77Å; L466-F475 HydrophobicContact CG-CB 3.85Å; L466-F475 HydrophobicContact CG-CG 4.4Å; F475-V477 HydrophobicContact CD1-CG2 4.33Å; F475-K480 HydrophobicContact CZ-CB 4.44Å
476	D	90.5	Very high	89	Confident	16 Å²	16	51.7 Å²	51.7	9%	0.086	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.9	174.1	-175.7	-35.4	0	0	0	109.8	Q478 Q479 K480 R481 L483	D476-Q478 WeakPolarHBondContact OD1-CA 3.42Å; D476-Q478 WeakPolarHBondContact OD1-CB 3.34Å; D476-Q478 PolarHBondContact OD1-N 3.22Å; D476-Q479 HydrophobicContact CB-CB 4.21Å; D476-Q479 PolarHBondContact OD1-N 2.8Å; D476-Q479 VanDerWaalsContact OD2-CD 3.28Å; D476-Q479 WeakPolarHBondContact OD2-CG 3.32Å; D476-Q479 PolarHBondContact OD2-OE1 3.39Å; D476-K480 VanDerWaalsContact O-CA 3.27Å; D476-K480 WeakPolarHBondContact O-CA 3.43Å; D476-K480 PolarHBondContact O-N 2.88Å; D476-R481 PolarHBondContact N-O 3.34Å; D476-R481 PolarHBondContact O-N 2.82Å; D476-L483 HydrophobicContact CB-CD1 4.19Å; D476-L483 HydrophobicContact CB-CD2 4.4Å; D476-L483 HydrophobicContact CB-CG 4.22Å
477	V	87.3	Confident	88.9	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-27.9	-176.7	-178.8	0	0	0	0	112.3	V421 I437 G462 L464 F475	V421-V477 HydrophobicContact CG1-CB 4.21Å; V421-V477 HydrophobicContact CG1-CG1 4.45Å; V421-V477 HydrophobicContact CG1-CG2 4.06Å; I437-V477 HydrophobicContact CD1-CG1 3.67Å; I437-V477 HydrophobicContact CG1-CG1 3.94Å; G462-V477 WeakPolarHBondContact O-CB 3.48Å; G462-V477 PolarHBondContact O-N 3.06Å; L464-V477 HydrophobicContact CB-CG2 4.38Å; L464-V477 HydrophobicContact CD1-CG2 3.55Å; L464-V477 HydrophobicContact CG-CG2 3.76Å; F475-V477 HydrophobicContact CD1-CG2 4.33Å
478	Q	85	Confident	88.5	Confident	129 Å²	129	59.3 Å²	59.3	60%	0.603	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-51.7	179.5	-58.1	-171.6	5	0	0	110.1	D476	D476-Q478 WeakPolarHBondContact OD1-CA 3.42Å; D476-Q478 WeakPolarHBondContact OD1-CB 3.34Å; D476-Q478 PolarHBondContact OD1-N 3.22Å
479	Q	85.8	Confident	88.3	Confident	108 Å²	108	57.5 Å²	57.5	51%	0.505	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.6	-177.6	-61.5	-180	-1.3	0	0	113.4	D476 R481	D476-Q479 HydrophobicContact CB-CB 4.21Å; D476-Q479 PolarHBondContact OD1-N 2.8Å; D476-Q479 VanDerWaalsContact OD2-CD 3.28Å; D476-Q479 WeakPolarHBondContact OD2-CG 3.32Å; D476-Q479 PolarHBondContact OD2-OE1 3.39Å; Q479-R481 VanDerWaalsContact C-N 3.28Å; Q479-R481 HydrophobicContact CB-CG 4Å; Q479-R481 PolarHBondContact O-N 2.81Å
480	K	86.6	Confident	88.2	Confident	124 Å²	124	59.1 Å²	59.1	54%	0.539	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	37	-177.6	-54.7	178.3	178.4	178.8	0	113.3	F475 D476	F475-K480 HydrophobicContact CZ-CB 4.44Å; D476-K480 VanDerWaalsContact O-CA 3.27Å; D476-K480 WeakPolarHBondContact O-CA 3.43Å; D476-K480 PolarHBondContact O-N 2.88Å
481	R	88.8	Confident	88.2	Confident	140 Å²	140	54.8 Å²	54.8	53%	0.528	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.4	179.8	70.1	175	177.2	170.7	-1.1	112.1	D476 Q479 L483	D476-R481 PolarHBondContact N-O 3.34Å; D476-R481 PolarHBondContact O-N 2.82Å; Q479-R481 VanDerWaalsContact C-N 3.28Å; Q479-R481 HydrophobicContact CB-CG 4Å; Q479-R481 PolarHBondContact O-N 2.81Å; R481-L483 HydrophobicContact CG-CD2 4.35Å
482	T	89.3	Confident	88	Confident	73 Å²	73	57.3 Å²	57.3	45%	0.448	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130	169	-62.5	0	0	0	0	109.7	T473	T473-T482 HydrophobicContact CG2-CG2 3.26Å
483	L	89.9	Confident	87.8	Confident	75 Å²	75	59 Å²	59	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-46.1	176.4	-62.3	180	0	0	0	111.6	L474 D476 R481	L474-L483 HydrophobicContact CB-CB 4.46Å; L474-L483 HydrophobicContact CD2-CB 4.07Å; L474-L483 HydrophobicContact CD2-CD1 4.07Å; L474-L483 HydrophobicContact CG-CB 4.17Å; L474-L483 HydrophobicContact CG-CD1 4.18Å; L474-L483 PolarHBondContact O-N 2.91Å; D476-L483 HydrophobicContact CB-CD1 4.19Å; D476-L483 HydrophobicContact CB-CD2 4.4Å; D476-L483 HydrophobicContact CB-CG 4.22Å; R481-L483 HydrophobicContact CG-CD2 4.35Å
484	A	90.1	Very high	87.8	Confident	27 Å²	27	59.3 Å²	59.3	22%	0.223	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	160.3	-178	0	0	0	0	0	110.8	T473 L474 K526 L527	T473-A484 CarbonylContact C-O 3.54Å; T473-A484 WeakPolarHBondContact CA-O 3.49Å; L474-A484 HydrophobicContact CB-CB 4.47Å; L474-A484 PolarHBondContact N-O 3.26Å; A484-K526 WeakPolarHBondContact CB-O 3.47Å; A484-L527 HydrophobicContact CB-CB 3.92Å; A484-L527 HydrophobicContact CB-CD1 4.3Å
485	S	90.5	Very high	87.8	Confident	69 Å²	69	60.1 Å²	60.1	48%	0.483	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.2	176.7	-170.9	0	0	0	0	110.9	I472 T473	I472-S485 CarbonylContact O-C 3.53Å; I472-S485 WeakPolarHBondContact O-CA 3.35Å; I472-S485 PolarHBondContact O-OG 2.95Å; T473-S485 PolarHBondContact OG1-OG 2.81Å; T473-S485 VanDerWaalsContact OG1-OG 3.08Å
486	V	90.7	Very high	87.8	Confident	18 Å²	18	61.6 Å²	61.6	11%	0.109	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	131	175.6	-166.1	0	0	0	0	108.9	S471 I472 I488 L527	S471-V486 CarbonylContact C-O 3.56Å; S471-V486 VanDerWaalsContact CA-O 3.32Å; S471-V486 WeakPolarHBondContact CA-O 3.48Å; I472-V486 HydrophobicContact CG2-CB 4.18Å; I472-V486 PolarHBondContact N-O 3.24Å; I472-V486 PolarHBondContact O-N 3.16Å; V486-I488 HydrophobicContact CB-CD1 4.19Å; V486-I488 HydrophobicContact CB-CG1 4.47Å; V486-I488 HydrophobicContact CG1-CD1 3.68Å; V486-I488 HydrophobicContact CG1-CG1 3.85Å; V486-I488 PolarHBondContact O-N 3.44Å; V486-I488 VanDerWaalsContact O-N 3.14Å; V486-L527 HydrophobicContact CG2-CB 3.67Å; V486-L527 HydrophobicContact CG2-CD1 4.2Å; V486-L527 HydrophobicContact CG2-CD2 4.31Å; V486-L527 HydrophobicContact CG2-CG 4.3Å; V486-L527 WeakPolarHBondContact CG2-O 3.5Å
487	K	88.1	Confident	87.8	Confident	185 Å²	185	61.1 Å²	61.1	80%	0.804	30%	0.297	S	S	*	.			trans	-78.1	98.3	178	-167.9	177.5	-177.4	178.3	0	110.3	D470	D470-K487 CarbonylContact O-C 3.58Å
488	I	83.9	Confident	87.7	Confident	16 Å²	16	65.9 Å²	65.9	8%	0.082	34%	0.337	C	S	.	.			trans	-144.2	119.4	176.6	-57.3	164.1	0	0	0	107.6	D470 S471 V486 V491 L505 A507 V521	D470-I488 CarbonylContact C-O 3.57Å; D470-I488 CarbonylContact O-C 3.57Å; D470-I488 VanDerWaalsContact O-C 3.27Å; D470-I488 PolarHBondContact O-N 3.22Å; S471-I488 PolarHBondContact N-O 2.81Å; V486-I488 HydrophobicContact CB-CD1 4.19Å; V486-I488 HydrophobicContact CB-CG1 4.47Å; V486-I488 HydrophobicContact CG1-CD1 3.68Å; V486-I488 HydrophobicContact CG1-CG1 3.85Å; V486-I488 PolarHBondContact O-N 3.44Å; V486-I488 VanDerWaalsContact O-N 3.14Å; I488-V491 HydrophobicContact CB-CG2 3.89Å; I488-V491 HydrophobicContact CG2-CG2 3.57Å; I488-L505 HydrophobicContact CD1-CB 4.21Å; I488-L505 HydrophobicContact CD1-CD1 3.42Å; I488-L505 VanDerWaalsContact CD1-CD1 3.42Å; I488-L505 HydrophobicContact CD1-CG 4.46Å; I488-A507 HydrophobicContact CG2-CB 3.37Å; I488-V521 HydrophobicContact CD1-CB 3.6Å; I488-V521 HydrophobicContact CD1-CG1 3.83Å; I488-V521 HydrophobicContact CD1-CG2 3.64Å; I488-V521 HydrophobicContact CG1-CB 4.49Å; I488-V521 HydrophobicContact CG1-CG2 4.01Å
489	S	82.1	Confident	87.8	Confident	23 Å²	23	64.9 Å²	64.9	16%	0.161	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	139.7	180	57.4	0	0	0	0	112.3	A469 V491 A507	A469-S489 VanDerWaalsContact O-CA 3.31Å; A469-S489 WeakPolarHBondContact O-CA 3.36Å; S489-V491 PolarHBondContact O-N 2.98Å; S489-A507 WeakPolarHBondContact O-CB 3.44Å
490	K	80.1	Confident	87.9	Confident	75 Å²	75	62.3 Å²	62.3	33%	0.326	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	47.7	169.2	-60.2	-175.4	175.9	179.7	0	114.6	A469 K492 K508 E510	A469-K490 PolarHBondContact O-N 3.27Å; K490-K492 PolarHBondContact O-N 3.36Å; K490-K508 PolarHBondContact O-N 3.46Å; K490-E510 WeakPolarHBondContact CD-OE2 3.09Å; K490-E510 WeakPolarHBondContact CE-OE2 3.49Å; K490-E510 IonicContact NZ-OE1 3.21Å; K490-E510 PolarHBondContact NZ-OE1 3.19Å; K490-E510 IonicContact NZ-OE2 3.57Å; K490-E510 PolarHBondContact NZ-OE2 3.12Å
491	V	86.6	Confident	88.1	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	124.2	169.1	-179.4	0	0	0	0	109.5	R467 I472 I488 S489 V494 L505 A507	R467-V491 WeakPolarHBondContact CD-O 3.35Å; I472-V491 HydrophobicContact CB-CG2 4.43Å; I472-V491 HydrophobicContact CD1-CB 4.35Å; I472-V491 HydrophobicContact CD1-CG1 4.09Å; I472-V491 HydrophobicContact CD1-CG2 4.4Å; I488-V491 HydrophobicContact CB-CG2 3.89Å; I488-V491 HydrophobicContact CG2-CG2 3.57Å; S489-V491 PolarHBondContact O-N 2.98Å; V491-V494 HydrophobicContact CG1-CG2 4.08Å; V491-L505 HydrophobicContact CG1-CB 4.34Å; V491-L505 HydrophobicContact CG1-CD2 4.43Å; V491-A507 HydrophobicContact CG2-CB 4.31Å
492	K	84.8	Confident	88.2	Confident	74 Å²	74	53.8 Å²	53.8	32%	0.322	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-33.3	-179	-67	-165.2	173.3	-169.4	0	113.2	K490 L506 K508	K490-K492 PolarHBondContact O-N 3.36Å; K492-L506 PolarHBondContact N-O 3.32Å; K492-K508 HydrophobicContact CD-CB 4.42Å
493	Y	87.7	Confident	88.4	Confident	37 Å²	37	50.3 Å²	50.3	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143	-175.5	-52	-71.5	0	0	0	109.9	R321 R323 L506	R321-Y493 PolarHBondContact NH2-OH 2.8Å; R323-Y493 VanDerWaalsContact NH1-CE1 3.25Å; R323-Y493 PolarHBondContact NH1-OH 2.95Å; Y493-L506 HydrophobicContact CD2-CB 4.44Å; Y493-L506 HydrophobicContact CD2-CD1 4.44Å; Y493-L506 PolarHBondContact N-O 3.4Å; Y493-L506 PolarHBondContact O-N 3.38Å
494	V	91.4	Very high	88.6	Confident	27 Å²	27	46.8 Å²	46.8	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.1	177.4	179	0	0	0	0	106.8	F457 L465 I472 V491 V503 L505	F457-V494 HydrophobicContact CB-CB 4.14Å; F457-V494 HydrophobicContact CB-CG2 3.87Å; F457-V494 HydrophobicContact CD1-CB 4.22Å; F457-V494 HydrophobicContact CD1-CG2 3.87Å; F457-V494 HydrophobicContact CD2-CG2 3.63Å; F457-V494 HydrophobicContact CE1-CG2 4.3Å; F457-V494 HydrophobicContact CE2-CG2 4.07Å; F457-V494 HydrophobicContact CG-CB 4.12Å; F457-V494 HydrophobicContact CG-CG2 3.51Å; F457-V494 HydrophobicContact CZ-CG2 4.4Å; L465-V494 HydrophobicContact CD1-CG1 3.59Å; L465-V494 HydrophobicContact CD1-CG2 4.32Å; I472-V494 HydrophobicContact CD1-CG2 3.91Å; V491-V494 HydrophobicContact CG1-CG2 4.08Å; V494-V503 HydrophobicContact CG1-CG2 3.41Å; V494-V503 VanDerWaalsContact CG1-CG2 3.41Å; V494-L505 HydrophobicContact CB-CD2 4.32Å; V494-L505 HydrophobicContact CG1-CD2 3.97Å; V494-L505 HydrophobicContact CG2-CD2 3.78Å
495	I	92.3	Very high	88.7	Confident	28 Å²	28	45.5 Å²	45.5	14%	0.144	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.6	-177.7	-59	155.7	0	0	0	108.5	A504 L506 G542 W544 F550	I495-A504 PolarHBondContact N-O 3.11Å; I495-A504 PolarHBondContact O-N 3.3Å; I495-L506 HydrophobicContact CD1-CD1 3.71Å; I495-L506 HydrophobicContact CD1-CG 4.32Å; I495-G542 WeakPolarHBondContact CD1-O 3.31Å; I495-W544 PolarHBondContact O-NE1 2.82Å; I495-F550 HydrophobicContact CB-CE2 4.23Å; I495-F550 HydrophobicContact CD1-CE2 4.12Å; I495-F550 HydrophobicContact CD1-CZ 3.89Å; I495-F550 HydrophobicContact CG2-CE2 4.07Å
496	W	91.6	Very high	88.7	Confident	38 Å²	38	42.4 Å²	42.4	14%	0.144	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	149.2	176.5	-70.8	96.2	0	0	0	111.7	Y458 A459 L465 M500 V503 W544	Y458-W496 PolarHBondContact O-NE1 3.47Å; A459-W496 HydrophobicContact CB-CZ2 4.13Å; L465-W496 HydrophobicContact CD1-CZ2 3.87Å; W496-M500 HydrophobicContact CB-CE 3.31Å; W496-M500 HydrophobicContact CB-SD 3.83Å; W496-M500 HydrophobicContact CD2-SD 3.89Å; W496-M500 HydrophobicContact CE3-CB 4.47Å; W496-M500 HydrophobicContact CE3-SD 4.08Å; W496-M500 HydrophobicContact CG-CE 3.83Å; W496-M500 HydrophobicContact CG-SD 3.78Å; W496-V503 HydrophobicContact CD2-CB 3.86Å; W496-V503 HydrophobicContact CD2-CG2 3.84Å; W496-V503 HydrophobicContact CE3-CB 3.65Å; W496-V503 HydrophobicContact CE3-CG2 4.18Å; W496-V503 HydrophobicContact CG-CG2 4.26Å; W496-V503 HydrophobicContact CH2-CB 3.93Å; W496-V503 HydrophobicContact CH2-CG1 4.09Å; W496-V503 HydrophobicContact CH2-CG2 4.36Å; W496-V503 HydrophobicContact CZ2-CB 4.14Å; W496-V503 HydrophobicContact CZ2-CG1 4.49Å; W496-V503 HydrophobicContact CZ2-CG2 4.05Å; W496-V503 HydrophobicContact CZ3-CB 3.69Å; W496-V503 HydrophobicContact CZ3-CG1 4.14Å; W496-V503 HydrophobicContact CZ3-CG2 4.42Å; W496-W544 VanDerWaalsContact O-CD1 3.29Å
497	S	91.1	Very high	88.4	Confident	6 Å²	6	41.8 Å²	41.8	4%	0.042	22%	0.221	C	C	.	.			trans	-66.6	157.7	164.6	62.6	0	0	0	0	110.6	D499 M500 S501 H502 W544	S497-D499 WeakPolarHBondContact CB-OD1 3.42Å; S497-D499 PolarHBondContact O-N 2.77Å; S497-D499 PolarHBondContact OG-OD1 3.47Å; S497-M500 PolarHBondContact O-N 3.38Å; S497-M500 PolarHBondContact OG-N 3.38Å; S497-S501 PolarHBondContact OG-N 2.96Å; S497-S501 VanDerWaalsContact OG-N 3.13Å; S497-S501 PolarHBondContact OG-OG 3.25Å; S497-H502 PolarHBondContact N-O 3.31Å; S497-H502 PolarHBondContact OG-N 2.94Å; S497-H502 PolarHBondContact OG-O 3.23Å; S497-W544 VanDerWaalsContact CA-CD1 3.43Å; S497-W544 VanDerWaalsContact N-CD1 3.3Å
498	A	85.5	Confident	87.7	Confident	110 Å²	110	37.3 Å²	37.3	91%	0.909	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.3	-175.4	0	0	0	0	0	113.2
499	D	87	Confident	86.5	Confident	108 Å²	108	39.4 Å²	39.4	58%	0.578	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.7	176.9	65.9	-19.5	0	0	0	113.9	S497 S501	S497-D499 WeakPolarHBondContact CB-OD1 3.42Å; S497-D499 PolarHBondContact O-N 2.77Å; S497-D499 PolarHBondContact OG-OD1 3.47Å; D499-S501 PolarHBondContact O-N 3.44Å; D499-S501 PolarHBondContact OD1-N 3.3Å; D499-S501 PolarHBondContact OD1-OG 3.01Å; D499-S501 WeakPolarHBondContact OD2-CB 3.48Å; D499-S501 PolarHBondContact OD2-OG 2.85Å
500	M	88.2	Confident	84.7	Confident	55 Å²	55	43.6 Å²	43.6	27%	0.271	23%	0.228	S	C	.	.	S	Bend	trans	59.9	23.3	-176.3	-58.5	-86.1	130.7	0	0	114.5	Y458 W496 S497	Y458-M500 HydrophobicContact CE1-CE 4.26Å; Y458-M500 HydrophobicContact CE1-SD 4.25Å; W496-M500 HydrophobicContact CB-CE 3.31Å; W496-M500 HydrophobicContact CB-SD 3.83Å; W496-M500 HydrophobicContact CD2-SD 3.89Å; W496-M500 HydrophobicContact CE3-CB 4.47Å; W496-M500 HydrophobicContact CE3-SD 4.08Å; W496-M500 HydrophobicContact CG-CE 3.83Å; W496-M500 HydrophobicContact CG-SD 3.78Å; S497-M500 PolarHBondContact O-N 3.38Å; S497-M500 PolarHBondContact OG-N 3.38Å
501	S	90.1	Very high	82.7	Confident	37 Å²	37	46.4 Å²	46.4	26%	0.259	24%	0.242	S	C	.	.	S	Bend	trans	-79.2	-36.7	175.9	60.4	0	0	0	0	112.8	S497 D499 N524 R525	S497-S501 PolarHBondContact OG-N 2.96Å; S497-S501 VanDerWaalsContact OG-N 3.13Å; S497-S501 PolarHBondContact OG-OG 3.25Å; D499-S501 PolarHBondContact O-N 3.44Å; D499-S501 PolarHBondContact OD1-N 3.3Å; D499-S501 PolarHBondContact OD1-OG 3.01Å; D499-S501 WeakPolarHBondContact OD2-CB 3.48Å; D499-S501 PolarHBondContact OD2-OG 2.85Å; S501-N524 CarbonylContact O-C 3.2Å; S501-R525 PolarHBondContact O-N 3.32Å
502	H	91.8	Very high	80.1	Confident	48 Å²	48	52 Å²	52	22%	0.222	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.5	-176.5	-62.1	-69	0	0	0	112.1	S497 C523 W544	S497-H502 PolarHBondContact N-O 3.31Å; S497-H502 PolarHBondContact OG-N 2.94Å; S497-H502 PolarHBondContact OG-O 3.23Å; H502-C523 WeakPolarHBondContact CA-O 3.41Å; H502-W544 HydrophobicContact CB-CH2 3.53Å; H502-W544 HydrophobicContact CB-CZ2 3.7Å; H502-W544 HydrophobicContact CB-CZ3 3.98Å
503	V	93.3	Very high	77.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.1	175.9	64.1	0	0	0	0	110.7	V494 W496 L505 I522 C523 L527	V494-V503 HydrophobicContact CG1-CG2 3.41Å; V494-V503 VanDerWaalsContact CG1-CG2 3.41Å; W496-V503 HydrophobicContact CD2-CB 3.86Å; W496-V503 HydrophobicContact CD2-CG2 3.84Å; W496-V503 HydrophobicContact CE3-CB 3.65Å; W496-V503 HydrophobicContact CE3-CG2 4.18Å; W496-V503 HydrophobicContact CG-CG2 4.26Å; W496-V503 HydrophobicContact CH2-CB 3.93Å; W496-V503 HydrophobicContact CH2-CG1 4.09Å; W496-V503 HydrophobicContact CH2-CG2 4.36Å; W496-V503 HydrophobicContact CZ2-CB 4.14Å; W496-V503 HydrophobicContact CZ2-CG1 4.49Å; W496-V503 HydrophobicContact CZ2-CG2 4.05Å; W496-V503 HydrophobicContact CZ3-CB 3.69Å; W496-V503 HydrophobicContact CZ3-CG1 4.14Å; W496-V503 HydrophobicContact CZ3-CG2 4.42Å; V503-L505 HydrophobicContact CG2-CD2 3.98Å; V503-I522 WeakPolarHBondContact O-CA 3.48Å; V503-C523 HydrophobicContact CG1-CB 3.68Å; V503-C523 PolarHBondContact N-O 2.91Å; V503-C523 PolarHBondContact O-N 3.24Å; V503-L527 HydrophobicContact CG1-CD2 4.12Å
504	A	93.1	Very high	75.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.6	172.6	0	0	0	0	0	109.5	I495 W544 F550	I495-A504 PolarHBondContact N-O 3.11Å; I495-A504 PolarHBondContact O-N 3.3Å; A504-W544 HydrophobicContact CB-CZ2 3.88Å; A504-F550 HydrophobicContact CB-CD1 4.09Å; A504-F550 HydrophobicContact CB-CD2 3.75Å; A504-F550 HydrophobicContact CB-CE1 3.82Å; A504-F550 HydrophobicContact CB-CE2 3.47Å; A504-F550 VanDerWaalsContact CB-CE2 3.47Å; A504-F550 HydrophobicContact CB-CG 4.05Å; A504-F550 HydrophobicContact CB-CZ 3.5Å
505	L	92.1	Very high	73.6	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.2	179.3	-56.5	176	0	0	0	108.9	I472 I488 V491 V494 V503 I520 V521	I472-L505 HydrophobicContact CD1-CD2 3.96Å; I472-L505 HydrophobicContact CG2-CD1 3.82Å; I488-L505 HydrophobicContact CD1-CB 4.21Å; I488-L505 HydrophobicContact CD1-CD1 3.42Å; I488-L505 VanDerWaalsContact CD1-CD1 3.42Å; I488-L505 HydrophobicContact CD1-CG 4.46Å; V491-L505 HydrophobicContact CG1-CB 4.34Å; V491-L505 HydrophobicContact CG1-CD2 4.43Å; V494-L505 HydrophobicContact CB-CD2 4.32Å; V494-L505 HydrophobicContact CG1-CD2 3.97Å; V494-L505 HydrophobicContact CG2-CD2 3.78Å; V503-L505 HydrophobicContact CG2-CD2 3.98Å; L505-I520 WeakPolarHBondContact O-CA 3.3Å; L505-V521 HydrophobicContact CB-CB 4.37Å; L505-V521 PolarHBondContact N-O 3.23Å; L505-V521 PolarHBondContact O-N 3.47Å
506	L	90.6	Very high	71.6	Confident	5 Å²	5	60 Å²	60	3%	0.026	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	106.9	-179.9	-56.1	-176.8	0	0	0	109.9	K492 Y493 I495 I520 V539 F550	K492-L506 PolarHBondContact N-O 3.32Å; Y493-L506 HydrophobicContact CD2-CB 4.44Å; Y493-L506 HydrophobicContact CD2-CD1 4.44Å; Y493-L506 PolarHBondContact N-O 3.4Å; Y493-L506 PolarHBondContact O-N 3.38Å; I495-L506 HydrophobicContact CD1-CD1 3.71Å; I495-L506 HydrophobicContact CD1-CG 4.32Å; L506-I520 HydrophobicContact CD2-CB 4.24Å; L506-I520 HydrophobicContact CD2-CD1 4.39Å; L506-I520 HydrophobicContact CD2-CG1 3.8Å; L506-I520 HydrophobicContact CD2-CG2 3.91Å; L506-V539 HydrophobicContact CD1-CG1 4Å; L506-V539 HydrophobicContact CD2-CG1 4.2Å; L506-F550 HydrophobicContact CD2-CE1 4.22Å; L506-F550 HydrophobicContact CD2-CZ 4.34Å
507	A	85.1	Confident	70	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.033	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147	-175.8	0	0	0	0	0	112.8	I488 S489 V491 T518 A519	I488-A507 HydrophobicContact CG2-CB 3.37Å; S489-A507 WeakPolarHBondContact O-CB 3.44Å; V491-A507 HydrophobicContact CG2-CB 4.31Å; A507-T518 WeakPolarHBondContact O-CA 3.46Å; A507-T518 VanDerWaalsContact O-CG2 3.26Å; A507-T518 WeakPolarHBondContact O-CG2 3.25Å; A507-A519 HydrophobicContact CB-CB 4.4Å; A507-A519 PolarHBondContact N-O 3.48Å; A507-A519 PolarHBondContact O-N 3.16Å
508	K	73.5	Confident	69.1	Low	92 Å²	92	59.9 Å²	59.9	40%	0.4	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116	171.8	-173.5	-167.6	176	-159.8	0	108.1	K490 K492	K490-K508 PolarHBondContact O-N 3.46Å; K492-K508 HydrophobicContact CD-CB 4.42Å
509	H	58.4	Low	69	Low	60 Å²	60	55 Å²	55	28%	0.278	31%	0.305	S	S	.	.			trans	-73.3	139.1	176.8	-160.8	-95.8	0	0	0	110.2	L517	H509-L517 HydrophobicContact CB-CB 3.88Å; H509-L517 WeakPolarHBondContact CB-O 3.42Å; H509-L517 PolarHBondContact N-O 2.77Å
510	E	44.3	Very low	69.1	Low	110 Å²	110	49.8 Å²	49.8	51%	0.514	28%	0.277	S	S	.	.			trans	-116.5	-12.1	-173.8	-165.2	161	-135.2	0	0	114.1	K490 S512	K490-E510 WeakPolarHBondContact CD-OE2 3.09Å; K490-E510 WeakPolarHBondContact CE-OE2 3.49Å; K490-E510 IonicContact NZ-OE1 3.21Å; K490-E510 PolarHBondContact NZ-OE1 3.19Å; K490-E510 IonicContact NZ-OE2 3.57Å; K490-E510 PolarHBondContact NZ-OE2 3.12Å; E510-S512 PolarHBondContact O-N 3.27Å; E510-S512 VanDerWaalsContact O-N 3.13Å
511	H	38.7	Very low	69.3	Low	134 Å²	134	47.5 Å²	47.5	62%	0.62	27%	0.266	S	S	*	.	S	Bend	trans	-74	114.8	-176.2	-66	-70.4	0	0	0	112.4	C513	H511-C513 VanDerWaalsContact C-N 3.27Å; H511-C513 PolarHBondContact O-N 3.47Å
512	S	32.3	Very low	69.4	Low	119 Å²	119	45.7 Å²	45.7	83%	0.832	25%	0.254	S	S	*	.	S	Bend	trans	56.7	-12.4	152.6	72.5	0	0	0	0	121.5	E510	E510-S512 PolarHBondContact O-N 3.27Å; E510-S512 VanDerWaalsContact O-N 3.13Å
513	C	34	Very low	69.5	Low	71 Å²	71	43.4 Å²	43.4	48%	0.48	24%	0.243	S	C	.	.			trans	-95.1	135.9	176	-66	0	0	0	0	111.4	H511 L515 L517	H511-C513 VanDerWaalsContact C-N 3.27Å; H511-C513 PolarHBondContact O-N 3.47Å; C513-L515 HydrophobicContact CB-CB 4.42Å; C513-L515 PolarHBondContact O-N 2.9Å; C513-L517 HydrophobicContact CB-CD1 4.33Å
514	P	44.9	Very low	69.5	Low	129 Å²	129	45.1 Å²	45.1	84%	0.838	25%	0.252	S	S	*	.	S	Bend	trans	-64.2	-2.5	169.8	25.5	-31.6	0	0	0	113.3
515	L	47.4	Very low	69.3	Low	81 Å²	81	52.9 Å²	52.9	42%	0.424	28%	0.282	S	S	.	.	S	Bend	trans	-91.5	131.4	179.8	-65.8	168.7	0	0	0	111.2	C41 C513 L517	C41-L515 HydrophobicContact CB-CD2 4.09Å; C513-L515 HydrophobicContact CB-CB 4.42Å; C513-L515 PolarHBondContact O-N 2.9Å; L515-L517 VanDerWaalsContact C-N 3.29Å; L515-L517 PolarHBondContact O-N 2.9Å
516	P	50.8	Low	69.1	Low	52 Å²	52	60.4 Å²	60.4	34%	0.338	31%	0.314	S	S	.	.			trans	-75.2	76.3	179.6	31.9	-35.5	0	0	0	111.9
517	L	58	Low	69	Low	33 Å²	33	60.5 Å²	60.5	17%	0.173	32%	0.315	C	S	.	.			trans	-66.8	134.4	173.2	-72.1	159.2	0	0	0	110.5	H509 C513 L515 E535 N536	H509-L517 HydrophobicContact CB-CB 3.88Å; H509-L517 WeakPolarHBondContact CB-O 3.42Å; H509-L517 PolarHBondContact N-O 2.77Å; C513-L517 HydrophobicContact CB-CD1 4.33Å; L515-L517 VanDerWaalsContact C-N 3.29Å; L515-L517 PolarHBondContact O-N 2.9Å; L517-E535 WeakPolarHBondContact CA-O 3.42Å; L517-N536 VanDerWaalsContact CD2-OD1 3.26Å; L517-N536 WeakPolarHBondContact CD2-OD1 3.17Å
518	T	71.4	Confident	69.2	Low	9 Å²	9	64.6 Å²	64.6	6%	0.055	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.7	174.2	-56.2	0	0	0	0	109	A507 E535 R538 V539	A507-T518 WeakPolarHBondContact O-CA 3.46Å; A507-T518 VanDerWaalsContact O-CG2 3.26Å; A507-T518 WeakPolarHBondContact O-CG2 3.25Å; T518-E535 PolarHBondContact N-O 3.17Å; T518-E535 PolarHBondContact O-N 2.81Å; T518-R538 WeakPolarHBondContact OG1-CA 3.41Å; T518-V539 HydrophobicContact CG2-CB 3.91Å; T518-V539 HydrophobicContact CG2-CG2 3.73Å
519	A	83.7	Confident	70	Confident	7 Å²	7	63.2 Å²	63.2	6%	0.058	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	132.5	172.8	0	0	0	0	0	109.1	A507 I533	A507-A519 HydrophobicContact CB-CB 4.4Å; A507-A519 PolarHBondContact N-O 3.48Å; A507-A519 PolarHBondContact O-N 3.16Å; A519-I533 CarbonylContact C-O 3.58Å; A519-I533 WeakPolarHBondContact CA-O 3.47Å
520	I	90.1	Very high	71.5	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.5	170.9	-51.3	177.1	0	0	0	106.1	L505 L506 I522 I533 E535 V539 F550 Y552	L505-I520 WeakPolarHBondContact O-CA 3.3Å; L506-I520 HydrophobicContact CD2-CB 4.24Å; L506-I520 HydrophobicContact CD2-CD1 4.39Å; L506-I520 HydrophobicContact CD2-CG1 3.8Å; L506-I520 HydrophobicContact CD2-CG2 3.91Å; I520-I522 HydrophobicContact CG2-CG1 4.45Å; I520-I533 HydrophobicContact CB-CB 4.3Å; I520-I533 PolarHBondContact N-O 3.02Å; I520-I533 PolarHBondContact O-N 3.3Å; I520-E535 HydrophobicContact CD1-CG 4.35Å; I520-V539 HydrophobicContact CD1-CG2 3.84Å; I520-V539 HydrophobicContact CG1-CG2 4.08Å; I520-F550 HydrophobicContact CG2-CD1 4.24Å; I520-F550 HydrophobicContact CG2-CE1 4.02Å; I520-Y552 HydrophobicContact CD1-CD1 3.98Å; I520-Y552 HydrophobicContact CD1-CD2 3.75Å; I520-Y552 HydrophobicContact CD1-CE1 3.87Å; I520-Y552 HydrophobicContact CD1-CE2 3.61Å; I520-Y552 HydrophobicContact CD1-CG 3.92Å
521	V	91.3	Very high	73.6	Confident	6 Å²	6	59.5 Å²	59.5	4%	0.036	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122	173.8	-172.7	0	0	0	0	108.3	I488 L505 A529 C531 N532	I488-V521 HydrophobicContact CD1-CB 3.6Å; I488-V521 HydrophobicContact CD1-CG1 3.83Å; I488-V521 HydrophobicContact CD1-CG2 3.64Å; I488-V521 HydrophobicContact CG1-CB 4.49Å; I488-V521 HydrophobicContact CG1-CG2 4.01Å; L505-V521 HydrophobicContact CB-CB 4.37Å; L505-V521 PolarHBondContact N-O 3.23Å; L505-V521 PolarHBondContact O-N 3.47Å; V521-A529 HydrophobicContact CG1-CB 4.13Å; V521-C531 WeakPolarHBondContact CA-O 3.36Å; V521-N532 HydrophobicContact CG2-CB 4.39Å
522	I	93.3	Very high	76.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.9	174	-62.5	-179.8	0	0	0	107.5	V503 I520 L530 C531 W544 F550 A561 T563	V503-I522 WeakPolarHBondContact O-CA 3.48Å; I520-I522 HydrophobicContact CG2-CG1 4.45Å; I522-L530 HydrophobicContact CG2-CD1 4.28Å; I522-L530 PolarHBondContact O-N 3.12Å; I522-C531 PolarHBondContact N-O 2.88Å; I522-C531 PolarHBondContact O-N 2.81Å; I522-W544 HydrophobicContact CD1-CH2 4.14Å; I522-W544 HydrophobicContact CG1-CH2 4.38Å; I522-W544 HydrophobicContact CG2-CH2 3.66Å; I522-W544 HydrophobicContact CG2-CZ2 4.27Å; I522-F550 HydrophobicContact CD1-CB 4.16Å; I522-A561 HydrophobicContact CD1-CB 4.16Å; I522-T563 HydrophobicContact CG2-CG2 4.4Å
523	C	93.3	Very high	78.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.2	175.1	-59.2	0	0	0	0	111	H502 V503 L527 D528	H502-C523 WeakPolarHBondContact CA-O 3.41Å; V503-C523 HydrophobicContact CG1-CB 3.68Å; V503-C523 PolarHBondContact N-O 2.91Å; V503-C523 PolarHBondContact O-N 3.24Å; C523-L527 HydrophobicContact CB-CD2 4.26Å; C523-D528 CarbonylContact C-O 3.48Å; C523-D528 WeakPolarHBondContact CA-O 3.32Å; C523-D528 WeakPolarHBondContact CB-O 3.34Å
524	N	92.2	Very high	81.3	Confident	36 Å²	36	53.1 Å²	53.1	19%	0.193	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	177.5	164.9	72.6	13.4	0	0	0	111	S501 K526 L527 D528 L530	S501-N524 CarbonylContact O-C 3.2Å; N524-K526 PolarHBondContact O-N 3.3Å; N524-K526 WeakPolarHBondContact OD1-CA 3.39Å; N524-K526 WeakPolarHBondContact OD1-CB 3.28Å; N524-K526 PolarHBondContact OD1-N 2.79Å; N524-L527 PolarHBondContact O-N 3.04Å; N524-L527 PolarHBondContact OD1-N 2.87Å; N524-L527 VanDerWaalsContact OD1-N 3.1Å; N524-D528 PolarHBondContact N-O 2.92Å; N524-D528 WeakPolarHBondContact ND2-CB 3.38Å; N524-D528 PolarHBondContact ND2-OD2 3.23Å; N524-D528 PolarHBondContact OD1-N 3.33Å; N524-L530 HydrophobicContact CB-CD1 4.48Å
525	R	89.6	Confident	83.1	Confident	163 Å²	163	47.4 Å²	47.4	62%	0.615	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-29	175.9	-176.3	174.4	177.1	166.2	-0.4	114.8	S501 L527	S501-R525 PolarHBondContact O-N 3.32Å; R525-L527 PolarHBondContact O-N 2.52Å
526	K	88.1	Confident	84.4	Confident	157 Å²	157	49.3 Å²	49.3	68%	0.683	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	2.2	177.5	-65.3	-177.3	-180	177.2	0	113.1	A484 N524 D528	A484-K526 WeakPolarHBondContact CB-O 3.47Å; N524-K526 PolarHBondContact O-N 3.3Å; N524-K526 WeakPolarHBondContact OD1-CA 3.39Å; N524-K526 WeakPolarHBondContact OD1-CB 3.28Å; N524-K526 PolarHBondContact OD1-N 2.79Å; K526-D528 VanDerWaalsContact C-N 3.34Å
527	L	88.7	Confident	85.6	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	25%	0.25	C	C	.	.			trans	67.5	22.3	-172.4	-72.8	-172.8	0	0	0	115.3	L465 L474 A484 V486 V503 C523 N524 R525 A529	L465-L527 HydrophobicContact CD2-CD1 3.76Å; L465-L527 HydrophobicContact CD2-CD2 4.1Å; L465-L527 HydrophobicContact CD2-CG 4.34Å; L474-L527 HydrophobicContact CB-CD1 3.48Å; L474-L527 VanDerWaalsContact CB-CD1 3.48Å; L474-L527 HydrophobicContact CB-CG 4.13Å; A484-L527 HydrophobicContact CB-CB 3.92Å; A484-L527 HydrophobicContact CB-CD1 4.3Å; V486-L527 HydrophobicContact CG2-CB 3.67Å; V486-L527 HydrophobicContact CG2-CD1 4.2Å; V486-L527 HydrophobicContact CG2-CD2 4.31Å; V486-L527 HydrophobicContact CG2-CG 4.3Å; V486-L527 WeakPolarHBondContact CG2-O 3.5Å; V503-L527 HydrophobicContact CG1-CD2 4.12Å; C523-L527 HydrophobicContact CB-CD2 4.26Å; N524-L527 PolarHBondContact O-N 3.04Å; N524-L527 PolarHBondContact OD1-N 2.87Å; N524-L527 VanDerWaalsContact OD1-N 3.1Å; R525-L527 PolarHBondContact O-N 2.52Å; L527-A529 PolarHBondContact O-N 3.32Å
528	D	89.6	Confident	86.5	Confident	90 Å²	90	52.7 Å²	52.7	48%	0.481	26%	0.261	S	S	.	.			trans	-73.7	126.1	168.1	-51.9	-47.9	0	0	0	109.2	C523 N524 K526 L530	C523-D528 CarbonylContact C-O 3.48Å; C523-D528 WeakPolarHBondContact CA-O 3.32Å; C523-D528 WeakPolarHBondContact CB-O 3.34Å; N524-D528 PolarHBondContact N-O 2.92Å; N524-D528 WeakPolarHBondContact ND2-CB 3.38Å; N524-D528 PolarHBondContact ND2-OD2 3.23Å; N524-D528 PolarHBondContact OD1-N 3.33Å; K526-D528 VanDerWaalsContact C-N 3.34Å; D528-L530 PolarHBondContact O-N 2.82Å
529	A	89.4	Confident	87.3	Confident	64 Å²	64	52.5 Å²	52.5	53%	0.529	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	114.4	179.4	0	0	0	0	0	110.5	V521 L527	V521-A529 HydrophobicContact CG1-CB 4.13Å; L527-A529 PolarHBondContact O-N 3.32Å
530	L	89.8	Confident	87.4	Confident	79 Å²	79	54 Å²	54	41%	0.414	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	-46.4	178.2	-59.3	178.8	0	0	0	111	I522 N524 D528 T563	I522-L530 HydrophobicContact CG2-CD1 4.28Å; I522-L530 PolarHBondContact O-N 3.12Å; N524-L530 HydrophobicContact CB-CD1 4.48Å; D528-L530 PolarHBondContact O-N 2.82Å; L530-T563 HydrophobicContact CD1-CG2 4.27Å
531	C	89.3	Confident	87.4	Confident	13 Å²	13	54 Å²	54	9%	0.088	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.2	177.1	71.9	0	0	0	0	112.4	V521 I522	V521-C531 WeakPolarHBondContact CA-O 3.36Å; I522-C531 PolarHBondContact N-O 2.88Å; I522-C531 PolarHBondContact O-N 2.81Å
532	N	90.6	Very high	87.4	Confident	87 Å²	87	53.9 Å²	53.9	47%	0.465	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.8	174.2	-175.4	-0.1	0	0	0	109.8	V521 H534	V521-N532 HydrophobicContact CG2-CB 4.39Å; N532-H534 PolarHBondContact ND2-CE1 2.96Å; N532-H534 PolarHBondContact OD1-CE1 3.03Å
533	I	89.2	Confident	87.4	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.1	-176.4	-58.9	166	0	0	0	108.6	A519 I520 A561 H567	A519-I533 CarbonylContact C-O 3.58Å; A519-I533 WeakPolarHBondContact CA-O 3.47Å; I520-I533 HydrophobicContact CB-CB 4.3Å; I520-I533 PolarHBondContact N-O 3.02Å; I520-I533 PolarHBondContact O-N 3.3Å; I533-A561 HydrophobicContact CD1-CB 3.35Å; I533-H567 HydrophobicContact CD1-CB 4.35Å
534	H	86.5	Confident	87.4	Confident	98 Å²	98	55.5 Å²	55.5	45%	0.454	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.3	178.9	-64.1	85.4	0	0	0	110.4	N532	N532-H534 PolarHBondContact ND2-CE1 2.96Å; N532-H534 PolarHBondContact OD1-CE1 3.03Å
535	E	82	Confident	87.3	Confident	9 Å²	9	54.5 Å²	54.5	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128.7	178.6	-80.8	-73	179.2	0	0	111.5	L517 T518 I520 I537 V539 Y552 K559	L517-E535 WeakPolarHBondContact CA-O 3.42Å; T518-E535 PolarHBondContact N-O 3.17Å; T518-E535 PolarHBondContact O-N 2.81Å; I520-E535 HydrophobicContact CD1-CG 4.35Å; E535-I537 VanDerWaalsContact C-N 3.26Å; E535-I537 PolarHBondContact O-N 3.16Å; E535-V539 HydrophobicContact CB-CG2 4.31Å; E535-V539 HydrophobicContact CG-CG2 4.39Å; E535-Y552 HydrophobicContact CG-CE2 3.94Å; E535-Y552 PolarHBondContact OE1-OH 2.88Å; E535-K559 WeakPolarHBondContact OE1-CD 3.4Å; E535-K559 IonicContact OE1-NZ 3.16Å; E535-K559 PolarHBondContact OE1-NZ 3.41Å; E535-K559 IonicContact OE2-NZ 3.61Å; E535-K559 PolarHBondContact OE2-NZ 3.14Å
536	N	74.7	Confident	87.2	Confident	120 Å²	120	53.6 Å²	53.6	64%	0.642	27%	0.27	S	S	*	.	S	Bend	trans	-67.3	-28.9	175.8	-66.2	-15.4	0	0	0	112.3	L517	L517-N536 VanDerWaalsContact CD2-OD1 3.26Å; L517-N536 WeakPolarHBondContact CD2-OD1 3.17Å
537	I	76.7	Confident	86.9	Confident	50 Å²	50	48.9 Å²	48.9	26%	0.256	26%	0.257	S	S	.	.	S	Bend	trans	-104.2	133.4	179.3	-56.5	175.3	0	0	0	109.2	E535 V539 T554	E535-I537 VanDerWaalsContact C-N 3.26Å; E535-I537 PolarHBondContact O-N 3.16Å; I537-V539 PolarHBondContact O-N 3.42Å; I537-V539 VanDerWaalsContact O-N 3.16Å; I537-T554 HydrophobicContact CB-CG2 4.43Å
538	R	77.7	Confident	86.8	Confident	106 Å²	106	49.8 Å²	49.8	40%	0.4	27%	0.268	S	S	.	.			trans	-54.8	121.2	177.4	-175.8	174.3	175.7	-171.7	0.7	113.3	T518	T518-R538 WeakPolarHBondContact OG1-CA 3.41Å
539	V	86.8	Confident	86.9	Confident	6 Å²	6	45.5 Å²	45.5	4%	0.036	25%	0.245	C	C	.	.			trans	-68.4	134.3	172.5	-174.4	0	0	0	0	110.1	L506 T518 I520 E535 I537 Y552	L506-V539 HydrophobicContact CD1-CG1 4Å; L506-V539 HydrophobicContact CD2-CG1 4.2Å; T518-V539 HydrophobicContact CG2-CB 3.91Å; T518-V539 HydrophobicContact CG2-CG2 3.73Å; I520-V539 HydrophobicContact CD1-CG2 3.84Å; I520-V539 HydrophobicContact CG1-CG2 4.08Å; E535-V539 HydrophobicContact CB-CG2 4.31Å; E535-V539 HydrophobicContact CG-CG2 4.39Å; I537-V539 PolarHBondContact O-N 3.42Å; I537-V539 VanDerWaalsContact O-N 3.16Å; V539-Y552 HydrophobicContact CG1-CD2 3.91Å; V539-Y552 HydrophobicContact CG1-CG 4.37Å; V539-Y552 HydrophobicContact CG2-CD2 3.99Å; V539-Y552 HydrophobicContact CG2-CE2 4.24Å
540	K	86.4	Confident	87.1	Confident	39 Å²	39	42.5 Å²	42.5	17%	0.17	22%	0.22	C	C	.	.			trans	-95.9	-42.8	-177.7	-61.6	-59.3	179.5	-176.3	0	112.2	R323 T553 S555 Y578	R323-K540 PolarHBondContact NH1-O 2.89Å; K540-T553 PolarHBondContact N-O 2.92Å; K540-S555 WeakPolarHBondContact CE-OG 2.98Å; K540-Y578 HydrophobicContact CB-CD1 4.29Å; K540-Y578 HydrophobicContact CB-CE1 4.17Å
541	S	90.1	Very high	87.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	167.3	-175.1	48.6	0	0	0	0	109.5	Y552 T553 Y578 V579	S541-Y552 CarbonylContact O-C 3.58Å; S541-Y552 WeakPolarHBondContact O-CA 3.37Å; S541-Y552 WeakPolarHBondContact O-CB 3.42Å; S541-T553 PolarHBondContact O-N 2.84Å; S541-T553 PolarHBondContact O-OG1 2.92Å; S541-T553 PolarHBondContact OG-OG1 2.79Å; S541-Y578 VanDerWaalsContact OG-CA 3.22Å; S541-Y578 WeakPolarHBondContact OG-CA 3.3Å; S541-V579 PolarHBondContact OG-N 2.87Å
542	G	92.5	Very high	87.6	Confident	3 Å²	3	38.1 Å²	38.1	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	169.5	166.5	0	0	0	0	0	111.2	I495 I551	I495-G542 WeakPolarHBondContact CD1-O 3.31Å; G542-I551 CarbonylContact C-O 3.55Å; G542-I551 WeakPolarHBondContact CA-O 3.36Å
543	A	93.3	Very high	87.6	Confident	9 Å²	9	34 Å²	34	7%	0.074	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.8	173.8	0	0	0	0	0	109.3	I551 V579 V582	A543-I551 PolarHBondContact N-O 3.25Å; A543-I551 PolarHBondContact O-N 2.76Å; A543-I551 VanDerWaalsContact O-O 3.11Å; A543-V579 HydrophobicContact CB-CG1 3.75Å; A543-V582 HydrophobicContact CB-CG2 4.31Å
544	W	92.8	Very high	87.6	Confident	24 Å²	24	33.7 Å²	33.7	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.4	176.6	-66.8	89.7	0	0	0	110.6	I495 W496 S497 H502 A504 I522 G548 F550	I495-W544 PolarHBondContact O-NE1 2.82Å; W496-W544 VanDerWaalsContact O-CD1 3.29Å; S497-W544 VanDerWaalsContact CA-CD1 3.43Å; S497-W544 VanDerWaalsContact N-CD1 3.3Å; H502-W544 HydrophobicContact CB-CH2 3.53Å; H502-W544 HydrophobicContact CB-CZ2 3.7Å; H502-W544 HydrophobicContact CB-CZ3 3.98Å; A504-W544 HydrophobicContact CB-CZ2 3.88Å; I522-W544 HydrophobicContact CD1-CH2 4.14Å; I522-W544 HydrophobicContact CG1-CH2 4.38Å; I522-W544 HydrophobicContact CG2-CH2 3.66Å; I522-W544 HydrophobicContact CG2-CZ2 4.27Å; W544-G548 WeakPolarHBondContact CZ3-O 3.34Å; W544-F550 HydrophobicContact CD2-CB 4.21Å; W544-F550 AromaticContact CD2-CD2 3.9Å; W544-F550 HydrophobicContact CD2-CD2 3.9Å; W544-F550 AromaticContact CE2-CD2 3.68Å; W544-F550 HydrophobicContact CE3-CB 3.97Å; W544-F550 HydrophobicContact CG-CD2 4.14Å; W544-F550 HydrophobicContact CH2-CB 4.01Å; W544-F550 HydrophobicContact CZ2-CB 4.25Å; W544-F550 HydrophobicContact CZ2-CD2 4.12Å; W544-F550 HydrophobicContact CZ2-CG 4.41Å; W544-F550 HydrophobicContact CZ3-CB 3.87Å; W544-F550 AromaticContact NE1-CD2 3.75Å
545	D	90.8	Very high	87.3	Confident	16 Å²	16	29.8 Å²	29.8	9%	0.086	16%	0.156	C	C	.	.			trans	-77.7	160.2	165.1	-177.4	47.3	0	0	0	110.9	S547 G548 V549 I551	D545-S547 PolarHBondContact O-N 2.89Å; D545-S547 VanDerWaalsContact OD2-CB 3.27Å; D545-S547 WeakPolarHBondContact OD2-CB 3.4Å; D545-S547 PolarHBondContact OD2-N 3.37Å; D545-S547 VanDerWaalsContact OD2-N 3.17Å; D545-S547 PolarHBondContact OD2-OG 2.8Å; D545-G548 PolarHBondContact O-N 2.97Å; D545-V549 HydrophobicContact CB-CB 4.43Å; D545-V549 PolarHBondContact N-O 2.86Å; D545-I551 HydrophobicContact CB-CD1 4.17Å
546	E	85.4	Confident	87.3	Confident	144 Å²	144	31.1 Å²	31.1	67%	0.673	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-28	176.3	-66.3	175.2	-175.9	0	0	112.2	G548	E546-G548 PolarHBondContact O-N 2.84Å
547	S	83.4	Confident	88	Confident	57 Å²	57	27.2 Å²	27.2	40%	0.399	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.7	177.9	-36.1	0	0	0	0	114.1	D545	D545-S547 PolarHBondContact O-N 2.89Å; D545-S547 VanDerWaalsContact OD2-CB 3.27Å; D545-S547 WeakPolarHBondContact OD2-CB 3.4Å; D545-S547 PolarHBondContact OD2-N 3.37Å; D545-S547 VanDerWaalsContact OD2-N 3.17Å; D545-S547 PolarHBondContact OD2-OG 2.8Å
548	G	86.3	Confident	88.7	Confident	26 Å²	26	24.8 Å²	24.8	27%	0.268	13%	0.129	S	C	.	.	S	Bend	trans	80.3	18.3	-177.2	0	0	0	0	0	114.7	W544 D545 E546	W544-G548 WeakPolarHBondContact CZ3-O 3.34Å; D545-G548 PolarHBondContact O-N 2.97Å; E546-G548 PolarHBondContact O-N 2.84Å
549	V	91.5	Very high	89.4	Confident	1 Å²	1	21 Å²	21	1%	0.006	12%	0.116	C	C	.	.			trans	-95.5	134.9	175.6	178.5	0	0	0	0	109.9	D545 Y560 F606 L610	D545-V549 HydrophobicContact CB-CB 4.43Å; D545-V549 PolarHBondContact N-O 2.86Å; V549-Y560 HydrophobicContact CG1-CD2 4.16Å; V549-Y560 HydrophobicContact CG1-CG 4.44Å; V549-F606 HydrophobicContact CB-CD2 4.26Å; V549-F606 HydrophobicContact CB-CE2 4.34Å; V549-F606 HydrophobicContact CG1-CD2 4.07Å; V549-F606 HydrophobicContact CG1-CE2 4.43Å; V549-F606 HydrophobicContact CG1-CG 4.33Å; V549-F606 HydrophobicContact CG2-CD2 3.9Å; V549-F606 HydrophobicContact CG2-CE2 4.25Å; V549-L610 HydrophobicContact CG2-CD2 4.11Å
550	F	94.4	Very high	89.7	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	111.7	179.1	-176.5	-114.1	0	0	0	110.9	I495 A504 L506 I520 I522 W544 Y552 Y560 A561	I495-F550 HydrophobicContact CB-CE2 4.23Å; I495-F550 HydrophobicContact CD1-CE2 4.12Å; I495-F550 HydrophobicContact CD1-CZ 3.89Å; I495-F550 HydrophobicContact CG2-CE2 4.07Å; A504-F550 HydrophobicContact CB-CD1 4.09Å; A504-F550 HydrophobicContact CB-CD2 3.75Å; A504-F550 HydrophobicContact CB-CE1 3.82Å; A504-F550 HydrophobicContact CB-CE2 3.47Å; A504-F550 VanDerWaalsContact CB-CE2 3.47Å; A504-F550 HydrophobicContact CB-CG 4.05Å; A504-F550 HydrophobicContact CB-CZ 3.5Å; L506-F550 HydrophobicContact CD2-CE1 4.22Å; L506-F550 HydrophobicContact CD2-CZ 4.34Å; I520-F550 HydrophobicContact CG2-CD1 4.24Å; I520-F550 HydrophobicContact CG2-CE1 4.02Å; I522-F550 HydrophobicContact CD1-CB 4.16Å; W544-F550 HydrophobicContact CD2-CB 4.21Å; W544-F550 AromaticContact CD2-CD2 3.9Å; W544-F550 HydrophobicContact CD2-CD2 3.9Å; W544-F550 AromaticContact CE2-CD2 3.68Å; W544-F550 HydrophobicContact CE3-CB 3.97Å; W544-F550 HydrophobicContact CG-CD2 4.14Å; W544-F550 HydrophobicContact CH2-CB 4.01Å; W544-F550 HydrophobicContact CZ2-CB 4.25Å; W544-F550 HydrophobicContact CZ2-CD2 4.12Å; W544-F550 HydrophobicContact CZ2-CG 4.41Å; W544-F550 HydrophobicContact CZ3-CB 3.87Å; W544-F550 AromaticContact NE1-CD2 3.75Å; F550-Y552 AromaticContact CD1-CD1 3.93Å; F550-Y552 HydrophobicContact CD1-CD1 3.93Å; F550-Y552 HydrophobicContact CD1-CG 4.49Å; F550-Y552 HydrophobicContact CE1-CD1 4.11Å; F550-Y552 HydrophobicContact CE1-CG 4.21Å; F550-Y560 CarbonylContact O-C 3.54Å; F550-Y560 WeakPolarHBondContact O-CA 3.33Å; F550-A561 HydrophobicContact CB-CB 4.39Å; F550-A561 HydrophobicContact CD1-CB 4.44Å; F550-A561 PolarHBondContact N-O 3.49Å; F550-A561 PolarHBondContact O-N 3.48Å
551	I	94.4	Very high	90	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125	177.8	-65.8	165.2	0	0	0	108.9	G542 A543 D545 I558 K559 I570 V582 I601 F606	G542-I551 CarbonylContact C-O 3.55Å; G542-I551 WeakPolarHBondContact CA-O 3.36Å; A543-I551 PolarHBondContact N-O 3.25Å; A543-I551 PolarHBondContact O-N 2.76Å; A543-I551 VanDerWaalsContact O-O 3.11Å; D545-I551 HydrophobicContact CB-CD1 4.17Å; I551-I558 HydrophobicContact CG2-CG2 3.68Å; I551-K559 CarbonylContact C-O 3.59Å; I551-K559 WeakPolarHBondContact CA-O 3.42Å; I551-I570 HydrophobicContact CG1-CD1 4.32Å; I551-I570 HydrophobicContact CG2-CD1 4.39Å; I551-V582 HydrophobicContact CB-CG2 4.17Å; I551-V582 HydrophobicContact CD1-CB 4.31Å; I551-V582 HydrophobicContact CD1-CG1 3.8Å; I551-V582 HydrophobicContact CD1-CG2 3.96Å; I551-V582 HydrophobicContact CG2-CG2 4.35Å; I551-I601 HydrophobicContact CD1-CD1 3.81Å; I551-F606 HydrophobicContact CD1-CE1 4.43Å; I551-F606 HydrophobicContact CD1-CZ 4.36Å
552	Y	93.4	Very high	90	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	154.5	-177.4	65.2	-83.3	0	0	0	112.3	I520 E535 V539 S541 F550 T554 K559 A561	I520-Y552 HydrophobicContact CD1-CD1 3.98Å; I520-Y552 HydrophobicContact CD1-CD2 3.75Å; I520-Y552 HydrophobicContact CD1-CE1 3.87Å; I520-Y552 HydrophobicContact CD1-CE2 3.61Å; I520-Y552 HydrophobicContact CD1-CG 3.92Å; E535-Y552 HydrophobicContact CG-CE2 3.94Å; E535-Y552 PolarHBondContact OE1-OH 2.88Å; V539-Y552 HydrophobicContact CG1-CD2 3.91Å; V539-Y552 HydrophobicContact CG1-CG 4.37Å; V539-Y552 HydrophobicContact CG2-CD2 3.99Å; V539-Y552 HydrophobicContact CG2-CE2 4.24Å; S541-Y552 CarbonylContact O-C 3.58Å; S541-Y552 WeakPolarHBondContact O-CA 3.37Å; S541-Y552 WeakPolarHBondContact O-CB 3.42Å; F550-Y552 AromaticContact CD1-CD1 3.93Å; F550-Y552 HydrophobicContact CD1-CD1 3.93Å; F550-Y552 HydrophobicContact CD1-CG 4.49Å; F550-Y552 HydrophobicContact CE1-CD1 4.11Å; F550-Y552 HydrophobicContact CE1-CG 4.21Å; Y552-T554 HydrophobicContact CD2-CG2 4.42Å; Y552-T554 HydrophobicContact CE2-CG2 4.21Å; Y552-K559 HydrophobicContact CD1-CB 4.3Å; Y552-K559 HydrophobicContact CD2-CB 4.15Å; Y552-K559 HydrophobicContact CE1-CB 3.78Å; Y552-K559 HydrophobicContact CE2-CB 3.64Å; Y552-K559 HydrophobicContact CE2-CD 3.82Å; Y552-K559 HydrophobicContact CE2-CG 4.27Å; Y552-K559 HydrophobicContact CG-CB 4.47Å; Y552-K559 VanDerWaalsContact CZ-CB 3.44Å; Y552-K559 PolarHBondContact N-O 3.35Å; Y552-K559 PolarHBondContact O-N 3.46Å; Y552-K559 VanDerWaalsContact O-O 3.1Å; Y552-A561 HydrophobicContact CD1-CB 4.33Å; Y552-A561 HydrophobicContact CE1-CB 3.84Å
553	T	92.4	Very high	89.8	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.9	177.7	50.7	0	0	0	0	111.4	K540 S541 H557 I558 L573 I577 V579	K540-T553 PolarHBondContact N-O 2.92Å; S541-T553 PolarHBondContact O-N 2.84Å; S541-T553 PolarHBondContact O-OG1 2.92Å; S541-T553 PolarHBondContact OG-OG1 2.79Å; T553-H557 WeakPolarHBondContact CA-O 3.21Å; T553-I558 HydrophobicContact CG2-CB 4.4Å; T553-I558 HydrophobicContact CG2-CG1 4Å; T553-I558 HydrophobicContact CG2-CG2 4.4Å; T553-L573 HydrophobicContact CG2-CD1 4.2Å; T553-I577 HydrophobicContact CG2-CD1 4.03Å; T553-I577 HydrophobicContact CG2-CG1 3.85Å; T553-I577 PolarHBondContact OG1-O 2.98Å; T553-V579 HydrophobicContact CG2-CG2 3.29Å
554	T	88.9	Confident	89.4	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.134	C	C	.	.			trans	-93.8	-167.3	165.2	66	0	0	0	0	109	I537 Y552 N556 H557 K559	I537-T554 HydrophobicContact CB-CG2 4.43Å; Y552-T554 HydrophobicContact CD2-CG2 4.42Å; Y552-T554 HydrophobicContact CE2-CG2 4.21Å; T554-N556 PolarHBondContact O-N 2.77Å; T554-N556 PolarHBondContact OG1-N 2.83Å; T554-H557 PolarHBondContact N-O 3.17Å; T554-H557 PolarHBondContact OG1-N 3.09Å; T554-H557 PolarHBondContact OG1-O 3.32Å; T554-H557 VanDerWaalsContact OG1-O 3.1Å; T554-K559 HydrophobicContact CG2-CD 4.17Å
555	S	78.9	Confident	89	Confident	16 Å²	16	23.4 Å²	23.4	11%	0.112	14%	0.139	C	C	.	.	S	Bend	trans	-71.6	-21.3	174.7	-56	0	0	0	0	113	R39 K540	R39-S555 PolarHBondContact NH2-O 3.08Å; K540-S555 WeakPolarHBondContact CE-OG 2.98Å
556	N	82.8	Confident	88.8	Confident	37 Å²	37	24.2 Å²	24.2	20%	0.198	14%	0.143	C	C	.	.	S	Bend	trans	-128.4	-15.5	-168.3	-56.5	11.7	0	0	0	113	R39 T554 T572 L573	R39-N556 PolarHBondContact NE-OD1 2.95Å; R39-N556 PolarHBondContact NH2-OD1 2.99Å; T554-N556 PolarHBondContact O-N 2.77Å; T554-N556 PolarHBondContact OG1-N 2.83Å; N556-T572 CarbonylContact O-C 3.55Å; N556-T572 WeakPolarHBondContact O-CA 3.35Å; N556-T572 WeakPolarHBondContact O-CG2 3.33Å; N556-L573 PolarHBondContact O-N 3.44Å
557	H	88.8	Confident	89	Confident	37 Å²	37	21.6 Å²	21.6	17%	0.171	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.5	-172	-55.5	-70.5	0	0	0	111.7	T553 T554 K559 I569 R571 T572	T553-H557 WeakPolarHBondContact CA-O 3.21Å; T554-H557 PolarHBondContact N-O 3.17Å; T554-H557 PolarHBondContact OG1-N 3.09Å; T554-H557 PolarHBondContact OG1-O 3.32Å; T554-H557 VanDerWaalsContact OG1-O 3.1Å; H557-K559 HydrophobicContact CB-CG 4.12Å; H557-I569 HydrophobicContact CB-CG2 4.15Å; H557-R571 CarbonylContact C-O 3.5Å; H557-R571 VanDerWaalsContact CA-O 3.26Å; H557-R571 WeakPolarHBondContact CA-O 3.47Å; H557-T572 PolarHBondContact CE1-OG1 2.8Å; H557-T572 PolarHBondContact ND1-OG1 3.17Å; H557-T572 VanDerWaalsContact ND1-OG1 3.08Å
558	I	92	Very high	89.2	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.7	156.7	-48.5	-177.5	0	0	0	106.7	I551 T553 I570 R571 L573 I577 L599 I601	I551-I558 HydrophobicContact CG2-CG2 3.68Å; T553-I558 HydrophobicContact CG2-CB 4.4Å; T553-I558 HydrophobicContact CG2-CG1 4Å; T553-I558 HydrophobicContact CG2-CG2 4.4Å; I558-I570 HydrophobicContact CG2-CD1 4.23Å; I558-I570 PolarHBondContact O-N 2.86Å; I558-R571 HydrophobicContact CB-CB 4.31Å; I558-R571 HydrophobicContact CD1-CB 4.2Å; I558-R571 HydrophobicContact CG1-CB 4.33Å; I558-R571 PolarHBondContact N-O 2.98Å; I558-R571 PolarHBondContact O-N 3.47Å; I558-L573 HydrophobicContact CD1-CD2 4.05Å; I558-L573 HydrophobicContact CG1-CD1 3.79Å; I558-L573 HydrophobicContact CG1-CD2 3.86Å; I558-L573 HydrophobicContact CG1-CG 3.89Å; I558-I577 HydrophobicContact CD1-CD1 4.31Å; I558-I577 HydrophobicContact CG1-CD1 4.45Å; I558-L599 HydrophobicContact CD1-CD1 4.12Å; I558-I601 HydrophobicContact CD1-CG2 4.04Å
559	K	92.7	Very high	89.3	Confident	27 Å²	27	22.3 Å²	22.3	12%	0.117	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	162	-179.4	-68.3	-170.5	170.5	-169.2	0	109.9	E535 I551 Y552 T554 H557 G568 I569	E535-K559 WeakPolarHBondContact OE1-CD 3.4Å; E535-K559 IonicContact OE1-NZ 3.16Å; E535-K559 PolarHBondContact OE1-NZ 3.41Å; E535-K559 IonicContact OE2-NZ 3.61Å; E535-K559 PolarHBondContact OE2-NZ 3.14Å; I551-K559 CarbonylContact C-O 3.59Å; I551-K559 WeakPolarHBondContact CA-O 3.42Å; Y552-K559 HydrophobicContact CD1-CB 4.3Å; Y552-K559 HydrophobicContact CD2-CB 4.15Å; Y552-K559 HydrophobicContact CE1-CB 3.78Å; Y552-K559 HydrophobicContact CE2-CB 3.64Å; Y552-K559 HydrophobicContact CE2-CD 3.82Å; Y552-K559 HydrophobicContact CE2-CG 4.27Å; Y552-K559 HydrophobicContact CG-CB 4.47Å; Y552-K559 VanDerWaalsContact CZ-CB 3.44Å; Y552-K559 PolarHBondContact N-O 3.35Å; Y552-K559 PolarHBondContact O-N 3.46Å; Y552-K559 VanDerWaalsContact O-O 3.1Å; T554-K559 HydrophobicContact CG2-CD 4.17Å; H557-K559 HydrophobicContact CB-CG 4.12Å; K559-G568 WeakPolarHBondContact CA-O 3.43Å; K559-G568 VanDerWaalsContact CB-O 3.24Å; K559-G568 WeakPolarHBondContact CB-O 3.03Å; K559-I569 HydrophobicContact CD-CG1 4.36Å; K559-I569 HydrophobicContact CG-CG1 4.1Å
560	Y	92.8	Very high	89.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.2	171.2	71.9	-88.1	0	0	0	110.6	V549 F550 V562 H567 G568 I570 E605 F606 K609	V549-Y560 HydrophobicContact CG1-CD2 4.16Å; V549-Y560 HydrophobicContact CG1-CG 4.44Å; F550-Y560 CarbonylContact O-C 3.54Å; F550-Y560 WeakPolarHBondContact O-CA 3.33Å; Y560-V562 HydrophobicContact CD2-CG2 4.03Å; Y560-V562 HydrophobicContact CE2-CG2 3.99Å; Y560-H567 WeakPolarHBondContact O-CA 3.5Å; Y560-H567 VanDerWaalsContact O-CB 3.24Å; Y560-H567 WeakPolarHBondContact O-CB 2.97Å; Y560-G568 VanDerWaalsContact CE1-CA 3.48Å; Y560-G568 PolarHBondContact N-O 2.95Å; Y560-G568 PolarHBondContact O-N 3.31Å; Y560-G568 VanDerWaalsContact O-N 3.16Å; Y560-I570 HydrophobicContact CD1-CD1 4.12Å; Y560-I570 HydrophobicContact CD1-CG1 3.67Å; Y560-I570 HydrophobicContact CG-CD1 4.48Å; Y560-I570 HydrophobicContact CG-CG1 4.5Å; Y560-E605 PolarHBondContact OH-OE1 3.32Å; Y560-F606 HydrophobicContact CD1-CB 3.94Å; Y560-F606 HydrophobicContact CD1-CD1 4.15Å; Y560-F606 HydrophobicContact CD1-CG 4.49Å; Y560-F606 HydrophobicContact CD2-CB 3.4Å; Y560-F606 VanDerWaalsContact CD2-CB 3.4Å; Y560-F606 HydrophobicContact CD2-CG 4.27Å; Y560-F606 HydrophobicContact CE1-CB 3.91Å; Y560-F606 HydrophobicContact CE2-CB 3.38Å; Y560-F606 HydrophobicContact CG-CB 3.7Å; Y560-F606 HydrophobicContact CG-CD1 4.12Å; Y560-F606 HydrophobicContact CG-CG 4.21Å; Y560-K609 VanDerWaalsContact OH-CD 3.3Å; Y560-K609 WeakPolarHBondContact OH-CD 3.47Å; Y560-K609 PolarHBondContact OH-NZ 3.22Å
561	A	92.3	Very high	88.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.9	172.6	0	0	0	0	0	109.2	I522 I533 F550 Y552	I522-A561 HydrophobicContact CD1-CB 4.16Å; I533-A561 HydrophobicContact CD1-CB 3.35Å; F550-A561 HydrophobicContact CB-CB 4.39Å; F550-A561 HydrophobicContact CD1-CB 4.44Å; F550-A561 PolarHBondContact N-O 3.49Å; F550-A561 PolarHBondContact O-N 3.48Å; Y552-A561 HydrophobicContact CD1-CB 4.33Å; Y552-A561 HydrophobicContact CE1-CB 3.84Å
562	V	91	Very high	88.6	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.18	C	C	.	.			trans	-94.6	154.1	172.6	-171.5	0	0	0	0	108.7	Y560 T564 G565 D566 L610 I613	Y560-V562 HydrophobicContact CD2-CG2 4.03Å; Y560-V562 HydrophobicContact CE2-CG2 3.99Å; V562-T564 PolarHBondContact O-N 3.08Å; V562-T564 VanDerWaalsContact O-N 3.09Å; V562-G565 PolarHBondContact O-N 3.48Å; V562-D566 HydrophobicContact CB-CB 4.5Å; V562-D566 PolarHBondContact N-O 2.91Å; V562-L610 HydrophobicContact CG1-CD1 4.17Å; V562-I613 HydrophobicContact CG1-CD1 3.97Å
563	T	87.2	Confident	88.1	Confident	40 Å²	40	34.2 Å²	34.2	25%	0.245	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-20	179.4	49.5	0	0	0	0	114.2	I522 L530 G565	I522-T563 HydrophobicContact CG2-CG2 4.4Å; L530-T563 HydrophobicContact CD1-CG2 4.27Å; T563-G565 VanDerWaalsContact C-N 3.32Å
564	T	85.3	Confident	87.3	Confident	71 Å²	71	41.5 Å²	41.5	44%	0.436	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.3	174.8	55.8	0	0	0	0	114.1	V562 I613	V562-T564 PolarHBondContact O-N 3.08Å; V562-T564 VanDerWaalsContact O-N 3.09Å; T564-I613 HydrophobicContact CG2-CD1 4.04Å; T564-I613 HydrophobicContact CG2-CG1 4.39Å; T564-I613 HydrophobicContact CG2-CG2 3.64Å; T564-I613 WeakPolarHBondContact OG1-CD1 3.28Å
565	G	84.3	Confident	86.6	Confident	19 Å²	19	46 Å²	46	20%	0.196	25%	0.247	C	C	.	.	S	Bend	trans	96.2	-7.8	-177.1	0	0	0	0	0	115	V562 T563 H567	V562-G565 PolarHBondContact O-N 3.48Å; T563-G565 VanDerWaalsContact C-N 3.32Å; G565-H567 PolarHBondContact O-N 2.79Å; G565-H567 PolarHBondContact O-ND1 3.25Å; G565-H567 VanDerWaalsContact O-ND1 3.11Å
566	D	86.6	Confident	86.8	Confident	32 Å²	32	45.4 Å²	45.4	17%	0.171	24%	0.242	C	C	.	.			trans	-66.5	131.8	173.5	-72.2	-22.3	0	0	0	110.1	V562 Y637 K641	V562-D566 HydrophobicContact CB-CB 4.5Å; V562-D566 PolarHBondContact N-O 2.91Å; D566-Y637 WeakPolarHBondContact OD2-CE2 3.14Å; D566-Y637 PolarHBondContact OD2-OH 3.01Å; D566-K641 IonicContact OD1-NZ 3.76Å; D566-K641 IonicContact OD2-NZ 2.95Å
567	H	89.1	Confident	87.1	Confident	90 Å²	90	44 Å²	44	42%	0.417	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.2	-178.1	58.9	-81.3	0	0	0	111.3	I533 Y560 G565	I533-H567 HydrophobicContact CD1-CB 4.35Å; Y560-H567 WeakPolarHBondContact O-CA 3.5Å; Y560-H567 VanDerWaalsContact O-CB 3.24Å; Y560-H567 WeakPolarHBondContact O-CB 2.97Å; G565-H567 PolarHBondContact O-N 2.79Å; G565-H567 PolarHBondContact O-ND1 3.25Å; G565-H567 VanDerWaalsContact O-ND1 3.11Å
568	G	87.9	Confident	87.3	Confident	12 Å²	12	42.9 Å²	42.9	12%	0.124	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	171.9	-175.2	0	0	0	0	0	113.5	K559 Y560	K559-G568 WeakPolarHBondContact CA-O 3.43Å; K559-G568 VanDerWaalsContact CB-O 3.24Å; K559-G568 WeakPolarHBondContact CB-O 3.03Å; Y560-G568 VanDerWaalsContact CE1-CA 3.48Å; Y560-G568 PolarHBondContact N-O 2.95Å; Y560-G568 PolarHBondContact O-N 3.31Å; Y560-G568 VanDerWaalsContact O-N 3.16Å
569	I	89.8	Confident	87.3	Confident	85 Å²	85	42.9 Å²	42.9	44%	0.436	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.8	179.2	-62.5	168.7	0	0	0	108.7	H557 K559	H557-I569 HydrophobicContact CB-CG2 4.15Å; K559-I569 HydrophobicContact CD-CG1 4.36Å; K559-I569 HydrophobicContact CG-CG1 4.1Å
570	I	89.1	Confident	87.2	Confident	35 Å²	35	42.2 Å²	42.2	18%	0.179	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-48.9	175.8	-54	169	0	0	0	110.5	I551 I558 Y560 I601 F606	I551-I570 HydrophobicContact CG1-CD1 4.32Å; I551-I570 HydrophobicContact CG2-CD1 4.39Å; I558-I570 HydrophobicContact CG2-CD1 4.23Å; I558-I570 PolarHBondContact O-N 2.86Å; Y560-I570 HydrophobicContact CD1-CD1 4.12Å; Y560-I570 HydrophobicContact CD1-CG1 3.67Å; Y560-I570 HydrophobicContact CG-CD1 4.48Å; Y560-I570 HydrophobicContact CG-CG1 4.5Å; I570-I601 HydrophobicContact CD1-CD1 4.39Å; I570-I601 HydrophobicContact CG2-CB 3.86Å; I570-I601 HydrophobicContact CG2-CG2 4.15Å; I570-F606 HydrophobicContact CD1-CD1 4.21Å; I570-F606 HydrophobicContact CD1-CE1 4.11Å
571	R	87.4	Confident	87.1	Confident	106 Å²	106	45 Å²	45	40%	0.4	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.6	-170.9	-173	173.8	-179.1	176.2	1.4	111.5	H557 I558 T600	H557-R571 CarbonylContact C-O 3.5Å; H557-R571 VanDerWaalsContact CA-O 3.26Å; H557-R571 WeakPolarHBondContact CA-O 3.47Å; I558-R571 HydrophobicContact CB-CB 4.31Å; I558-R571 HydrophobicContact CD1-CB 4.2Å; I558-R571 HydrophobicContact CG1-CB 4.33Å; I558-R571 PolarHBondContact N-O 2.98Å; I558-R571 PolarHBondContact O-N 3.47Å; R571-T600 PolarHBondContact NH1-O 3.38Å
572	T	88.1	Confident	87	Confident	93 Å²	93	45.2 Å²	45.2	57%	0.571	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	144.7	171.1	-57.7	0	0	0	0	110.8	N556 H557	N556-T572 CarbonylContact O-C 3.55Å; N556-T572 WeakPolarHBondContact O-CA 3.35Å; N556-T572 WeakPolarHBondContact O-CG2 3.33Å; H557-T572 PolarHBondContact CE1-OG1 2.8Å; H557-T572 PolarHBondContact ND1-OG1 3.17Å; H557-T572 VanDerWaalsContact ND1-OG1 3.08Å
573	L	83.7	Confident	86.8	Confident	18 Å²	18	48.7 Å²	48.7	9%	0.094	25%	0.254	C	S	.	.			trans	-123.1	135.6	-172.9	-64.8	171.3	0	0	0	110.6	T553 N556 I558 I577 L599	T553-L573 HydrophobicContact CG2-CD1 4.2Å; N556-L573 PolarHBondContact O-N 3.44Å; I558-L573 HydrophobicContact CD1-CD2 4.05Å; I558-L573 HydrophobicContact CG1-CD1 3.79Å; I558-L573 HydrophobicContact CG1-CD2 3.86Å; I558-L573 HydrophobicContact CG1-CG 3.89Å; L573-I577 HydrophobicContact CD1-CD1 3.89Å; L573-I577 HydrophobicContact CD1-CG1 3.8Å; L573-I577 HydrophobicContact CD2-CD1 3.8Å; L573-I577 HydrophobicContact CD2-CG1 4.43Å; L573-L599 HydrophobicContact CD2-CD1 3.81Å
574	D	74.2	Confident	86.7	Confident	152 Å²	152	48.5 Å²	48.5	81%	0.813	26%	0.26	S	S	*	.	S	Bend	trans	-78	-38.4	172.9	-55.7	-48.8	0	0	0	111.9
575	L	75.3	Confident	86.8	Confident	94 Å²	94	48.9 Å²	48.9	49%	0.492	26%	0.26	S	S	.	.	S	Bend	trans	-121.1	141.7	-179.1	-65.3	172.7	0	0	0	110.3	I577	L575-I577 PolarHBondContact O-N 3.39Å
576	P	82.8	Confident	87.1	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.026	26%	0.264	C	S	.	.			trans	-72.5	130.5	175.4	28.6	-31.3	0	0	0	110.3	R592	P576-R592 HydrophobicContact CG-CG 4.48Å
577	I	89.9	Confident	87.4	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.036	26%	0.256	C	S	.	.			trans	-117.3	158.2	-179	60.6	176.8	0	0	0	110.4	T553 I558 L573 L575 C589 L599	T553-I577 HydrophobicContact CG2-CD1 4.03Å; T553-I577 HydrophobicContact CG2-CG1 3.85Å; T553-I577 PolarHBondContact OG1-O 2.98Å; I558-I577 HydrophobicContact CD1-CD1 4.31Å; I558-I577 HydrophobicContact CG1-CD1 4.45Å; L573-I577 HydrophobicContact CD1-CD1 3.89Å; L573-I577 HydrophobicContact CD1-CG1 3.8Å; L573-I577 HydrophobicContact CD2-CD1 3.8Å; L573-I577 HydrophobicContact CD2-CG1 4.43Å; L575-I577 PolarHBondContact O-N 3.39Å; I577-C589 HydrophobicContact CB-CB 4.12Å; I577-C589 HydrophobicContact CD1-CB 4.11Å; I577-C589 HydrophobicContact CG1-CB 4.4Å; I577-L599 HydrophobicContact CD1-CD1 3.38Å
578	Y	91.7	Very high	87.5	Confident	15 Å²	15	46 Å²	46	6%	0.059	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	103.1	177.1	-59.9	-81.9	0	0	0	109.5	R323 P324 K540 S541 T580 C589 L590 R592	R323-Y578 HydrophobicContact CB-CE1 3.9Å; R323-Y578 HydrophobicContact CG-CD1 3.93Å; R323-Y578 HydrophobicContact CG-CE1 3.57Å; P324-Y578 VanDerWaalsContact CD-CE2 3.42Å; P324-Y578 HydrophobicContact CG-CD2 3.94Å; P324-Y578 HydrophobicContact CG-CE2 4.33Å; K540-Y578 HydrophobicContact CB-CD1 4.29Å; K540-Y578 HydrophobicContact CB-CE1 4.17Å; S541-Y578 VanDerWaalsContact OG-CA 3.22Å; S541-Y578 WeakPolarHBondContact OG-CA 3.3Å; Y578-T580 PolarHBondContact O-N 3.34Å; Y578-C589 CarbonylContact O-C 3.55Å; Y578-C589 WeakPolarHBondContact O-CA 3.19Å; Y578-C589 VanDerWaalsContact O-CB 3.31Å; Y578-C589 WeakPolarHBondContact O-CB 3.49Å; Y578-L590 WeakPolarHBondContact CD2-O 3.21Å; Y578-L590 PolarHBondContact N-O 2.69Å; Y578-L590 PolarHBondContact O-N 2.95Å; Y578-R592 HydrophobicContact CE2-CG 4.3Å
579	V	92.6	Very high	87.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.6	178.2	-179.7	0	0	0	0	109.6	Y326 S541 A543 T553 V582 V587	Y326-V579 PolarHBondContact OH-O 3.28Å; S541-V579 PolarHBondContact OG-N 2.87Å; A543-V579 HydrophobicContact CB-CG1 3.75Å; T553-V579 HydrophobicContact CG2-CG2 3.29Å; V579-V582 HydrophobicContact CG1-CG2 4.21Å; V579-V587 HydrophobicContact CB-CG1 4.38Å; V579-V587 HydrophobicContact CG1-CG1 3.76Å; V579-V587 HydrophobicContact CG2-CG1 3.84Å
580	T	90.4	Very high	87.7	Confident	12 Å²	12	41.5 Å²	41.5	7%	0.074	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-45.7	179.7	62.2	0	0	0	0	111.2	Y326 L333 Y578 Y588 L590	Y326-T580 HydrophobicContact CD1-CG2 4.37Å; Y326-T580 HydrophobicContact CD2-CG2 3.77Å; Y326-T580 HydrophobicContact CE1-CG2 4.35Å; Y326-T580 HydrophobicContact CE2-CG2 3.75Å; Y326-T580 HydrophobicContact CG-CG2 4.1Å; L333-T580 HydrophobicContact CD1-CG2 3.86Å; L333-T580 HydrophobicContact CD2-CG2 4.19Å; Y578-T580 PolarHBondContact O-N 3.34Å; T580-Y588 PolarHBondContact N-O 3.35Å; T580-Y588 PolarHBondContact OG1-O 2.86Å; T580-L590 HydrophobicContact CG2-CD1 4.13Å; T580-L590 HydrophobicContact CG2-CG 4.07Å
581	R	89.6	Confident	87.6	Confident	59 Å²	59	40.2 Å²	40.2	22%	0.223	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	149.5	179.4	-173.5	168.2	-177.8	-175.9	-7.8	110.9	G330 N331 F346 Y588	G330-R581 VanDerWaalsContact C-NH1 3.27Å; G330-R581 PolarHBondContact O-NH1 3.05Å; N331-R581 PolarHBondContact OD1-NH1 3.36Å; F346-R581 HydrophobicContact CE1-CB 4.45Å; F346-R581 HydrophobicContact CE2-CB 3.9Å; F346-R581 HydrophobicContact CE2-CG 4.31Å; F346-R581 HydrophobicContact CZ-CB 3.77Å; R581-Y588 PolarHBondContact N-O 3.34Å; R581-Y588 PolarHBondContact O-N 2.71Å
582	V	90.4	Very high	87.3	Confident	4 Å²	4	38 Å²	38	2%	0.024	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.7	167.4	-173.4	0	0	0	0	108.1	A543 I551 V579 V587 I601	A543-V582 HydrophobicContact CB-CG2 4.31Å; I551-V582 HydrophobicContact CB-CG2 4.17Å; I551-V582 HydrophobicContact CD1-CB 4.31Å; I551-V582 HydrophobicContact CD1-CG1 3.8Å; I551-V582 HydrophobicContact CD1-CG2 3.96Å; I551-V582 HydrophobicContact CG2-CG2 4.35Å; V579-V582 HydrophobicContact CG1-CG2 4.21Å; V582-V587 HydrophobicContact CG1-CG2 4.24Å; V582-V587 HydrophobicContact CG2-CG1 4.36Å; V582-V587 HydrophobicContact CG2-CG2 4.13Å; V582-I601 HydrophobicContact CG1-CD1 4.33Å
583	K	87.1	Confident	86.8	Confident	74 Å²	74	36.9 Å²	36.9	32%	0.322	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	111.2	175	-173.6	-178.1	178.4	-177.3	0	108.4	N347 N585 N586 Y588	N347-K583 PolarHBondContact OD1-NZ 3.44Å; K583-N585 PolarHBondContact O-N 3.43Å; K583-N586 PolarHBondContact N-O 2.67Å; K583-N586 PolarHBondContact O-N 2.95Å; K583-N586 VanDerWaalsContact O-N 3.08Å; K583-Y588 HydrophobicContact CB-CE2 4.09Å
584	G	84.8	Confident	86.9	Confident	36 Å²	36	37 Å²	37	37%	0.371	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-126.4	-172.5	0	0	0	0	0	111.4	N586	G584-N586 VanDerWaalsContact C-N 3.3Å; G584-N586 PolarHBondContact O-N 2.78Å
585	N	88.4	Confident	87.4	Confident	80 Å²	80	36.1 Å²	36.1	43%	0.428	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.4	-178.8	-62.3	-1.5	0	0	0	113.3	K583 T600 I601 P603	K583-N585 PolarHBondContact O-N 3.43Å; N585-T600 HydrophobicContact CB-CG2 4.16Å; N585-T600 CarbonylContact O-C 3.59Å; N585-T600 VanDerWaalsContact O-CA 3.27Å; N585-T600 WeakPolarHBondContact O-CA 3.44Å; N585-I601 VanDerWaalsContact O-CG1 3.29Å; N585-I601 WeakPolarHBondContact O-CG1 3.43Å; N585-I601 PolarHBondContact O-N 2.99Å; N585-P603 WeakPolarHBondContact OD1-CG 3.18Å
586	N	91.1	Very high	88.1	Confident	55 Å²	55	34 Å²	34	29%	0.294	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.5	-173.8	-71.1	-25.3	0	0	0	111.7	K583 G584 Y588 V598 T600	K583-N586 PolarHBondContact N-O 2.67Å; K583-N586 PolarHBondContact O-N 2.95Å; K583-N586 VanDerWaalsContact O-N 3.08Å; G584-N586 VanDerWaalsContact C-N 3.3Å; G584-N586 PolarHBondContact O-N 2.78Å; N586-Y588 HydrophobicContact CB-CE2 4.19Å; N586-V598 HydrophobicContact CB-CG1 3.87Å; N586-T600 PolarHBondContact OD1-OG1 3.17Å; N586-T600 VanDerWaalsContact OD1-OG1 3.13Å
587	V	91.3	Very high	88.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115	173.9	-178.6	0	0	0	0	108.8	V579 V582 L599 I601	V579-V587 HydrophobicContact CB-CG1 4.38Å; V579-V587 HydrophobicContact CG1-CG1 3.76Å; V579-V587 HydrophobicContact CG2-CG1 3.84Å; V582-V587 HydrophobicContact CG1-CG2 4.24Å; V582-V587 HydrophobicContact CG2-CG1 4.36Å; V582-V587 HydrophobicContact CG2-CG2 4.13Å; V587-L599 PolarHBondContact N-O 2.97Å; V587-L599 PolarHBondContact O-N 3.22Å; V587-I601 HydrophobicContact CG2-CB 4.32Å; V587-I601 HydrophobicContact CG2-CD1 3.68Å; V587-I601 HydrophobicContact CG2-CG1 3.86Å; V587-I601 HydrophobicContact CG2-CG2 3.54Å
588	Y	91.3	Very high	88.4	Confident	25 Å²	25	41.9 Å²	41.9	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	123.8	175.2	-62.3	-93.5	0	0	0	109.5	F346 T580 R581 K583 N586 V598	F346-Y588 HydrophobicContact CB-CD1 4.44Å; F346-Y588 HydrophobicContact CB-CE1 4.11Å; F346-Y588 AromaticContact CD1-CD1 3.4Å; F346-Y588 HydrophobicContact CD1-CD1 3.4Å; F346-Y588 HydrophobicContact CD1-CD2 4.18Å; F346-Y588 AromaticContact CD1-CE1 3.93Å; F346-Y588 HydrophobicContact CD1-CE1 3.93Å; F346-Y588 AromaticContact CD1-CG 3.54Å; F346-Y588 HydrophobicContact CD1-CG 3.54Å; F346-Y588 HydrophobicContact CE1-CD1 4Å; F346-Y588 AromaticContact CE1-CG 3.79Å; F346-Y588 HydrophobicContact CE1-CG 3.79Å; F346-Y588 HydrophobicContact CG-CD1 4.26Å; F346-Y588 HydrophobicContact CG-CE1 4.43Å; F346-Y588 HydrophobicContact CG-CG 4.34Å; F346-Y588 PolarHBondContact O-OH 2.97Å; T580-Y588 PolarHBondContact N-O 3.35Å; T580-Y588 PolarHBondContact OG1-O 2.86Å; R581-Y588 PolarHBondContact N-O 3.34Å; R581-Y588 PolarHBondContact O-N 2.71Å; K583-Y588 HydrophobicContact CB-CE2 4.09Å; N586-Y588 HydrophobicContact CB-CE2 4.19Å; Y588-V598 HydrophobicContact CD1-CG1 4.47Å; Y588-V598 HydrophobicContact CD1-CG2 3.67Å; Y588-V598 HydrophobicContact CE1-CG1 4.27Å; Y588-V598 HydrophobicContact CE1-CG2 3.71Å
589	C	91.8	Very high	88.3	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.014	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	160.5	-173.5	65.8	0	0	0	0	112.6	I577 Y578 P596 R597	I577-C589 HydrophobicContact CB-CB 4.12Å; I577-C589 HydrophobicContact CD1-CB 4.11Å; I577-C589 HydrophobicContact CG1-CB 4.4Å; Y578-C589 CarbonylContact O-C 3.55Å; Y578-C589 WeakPolarHBondContact O-CA 3.19Å; Y578-C589 VanDerWaalsContact O-CB 3.31Å; Y578-C589 WeakPolarHBondContact O-CB 3.49Å; C589-P596 CarbonylContact O-C 3.57Å; C589-P596 WeakPolarHBondContact O-CA 3.46Å; C589-R597 PolarHBondContact N-O 2.96Å; C589-R597 PolarHBondContact O-N 2.95Å; C589-R597 PolarHBondContact SG-O 2.86Å
590	L	91.1	Very high	88.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	138.4	170.9	-65.3	170.6	0	0	0	109.1	P324 Y326 L333 Y335 Y578 T580 R595 P596	P324-L590 HydrophobicContact CB-CD1 3.91Å; P324-L590 HydrophobicContact CG-CB 4.09Å; P324-L590 HydrophobicContact CG-CD1 4.39Å; Y326-L590 HydrophobicContact CD1-CD1 4.23Å; Y326-L590 HydrophobicContact CG-CD1 4.28Å; L333-L590 HydrophobicContact CD2-CD1 4.4Å; L333-L590 HydrophobicContact CD2-CD2 4.15Å; L333-L590 HydrophobicContact CD2-CG 4.3Å; Y335-L590 HydrophobicContact CD2-CD1 4.49Å; Y335-L590 HydrophobicContact CD2-CD2 4.29Å; Y335-L590 HydrophobicContact CE2-CD2 4.38Å; Y335-L590 HydrophobicContact CG-CD1 4.22Å; Y335-L590 HydrophobicContact CG-CD2 4.36Å; Y578-L590 WeakPolarHBondContact CD2-O 3.21Å; Y578-L590 PolarHBondContact N-O 2.69Å; Y578-L590 PolarHBondContact O-N 2.95Å; T580-L590 HydrophobicContact CG2-CD1 4.13Å; T580-L590 HydrophobicContact CG2-CG 4.07Å; L590-R595 WeakPolarHBondContact CA-O 3.46Å; L590-P596 HydrophobicContact CD2-CB 4.22Å
591	D	87	Confident	88.2	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.043	23%	0.232	C	C	.	.			trans	-82.7	-178.9	168.8	69.9	19.1	0	0	0	112.1	P324 E593 C594 R595 R597	P324-D591 WeakPolarHBondContact CG-O 2.86Å; D591-E593 PolarHBondContact O-N 2.79Å; D591-E593 WeakPolarHBondContact OD1-CA 3.31Å; D591-E593 PolarHBondContact OD1-N 3.38Å; D591-C594 PolarHBondContact O-N 3.08Å; D591-C594 VanDerWaalsContact O-N 3.09Å; D591-C594 PolarHBondContact OD1-N 3.43Å; D591-R595 PolarHBondContact N-O 2.85Å; D591-R595 WeakPolarHBondContact OD1-CB 3.31Å; D591-R595 PolarHBondContact OD1-N 3.36Å; D591-R597 IonicContact OD2-CZ 3.56Å; D591-R597 IonicContact OD2-NE 2.84Å; D591-R597 PolarHBondContact OD2-NE 2.85Å; D591-R597 IonicContact OD2-NH2 3.69Å; D591-R597 PolarHBondContact OD2-NH2 2.79Å
592	R	80.8	Confident	88.1	Confident	61 Å²	61	48.5 Å²	48.5	23%	0.23	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.5	178.4	-70.9	-177.8	176.8	178.4	15	113.8	E322 P576 Y578	E322-R592 HydrophobicContact CB-CB 4.45Å; E322-R592 HydrophobicContact CB-CG 4.49Å; E322-R592 IonicContact OE1-NH1 3.84Å; E322-R592 VanDerWaalsContact OE2-CD 3.25Å; E322-R592 WeakPolarHBondContact OE2-CD 3.38Å; E322-R592 IonicContact OE2-CZ 2.95Å; E322-R592 IonicContact OE2-NE 3.32Å; E322-R592 PolarHBondContact OE2-NE 2.82Å; E322-R592 IonicContact OE2-NH1 2.74Å; E322-R592 PolarHBondContact OE2-NH1 3.45Å; P576-R592 HydrophobicContact CG-CG 4.48Å; Y578-R592 HydrophobicContact CE2-CG 4.3Å
593	E	78.4	Confident	87.9	Confident	68 Å²	68	48.8 Å²	48.8	32%	0.318	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	13.7	177.4	-56.3	-166.8	154.7	0	0	111.5	R260 D591 R595	R260-E593 IonicContact CZ-OE1 3.82Å; R260-E593 IonicContact NH1-OE1 2.74Å; R260-E593 PolarHBondContact NH1-OE1 3.31Å; R260-E593 IonicContact NH2-OE1 3.11Å; R260-E593 PolarHBondContact NH2-OE1 3.07Å; D591-E593 PolarHBondContact O-N 2.79Å; D591-E593 WeakPolarHBondContact OD1-CA 3.31Å; D591-E593 PolarHBondContact OD1-N 3.38Å; E593-R595 HydrophobicContact CB-CG 4.23Å; E593-R595 PolarHBondContact O-N 3.07Å; E593-R595 IonicContact OE2-CZ 3.89Å; E593-R595 VanDerWaalsContact OE2-CZ 3.26Å; E593-R595 IonicContact OE2-NE 2.76Å; E593-R595 PolarHBondContact OE2-NE 3.02Å; E593-R595 IonicContact OE2-NH2 2.76Å; E593-R595 PolarHBondContact OE2-NH2 3.09Å
594	C	84.6	Confident	87.8	Confident	21 Å²	21	47 Å²	47	14%	0.142	25%	0.245	C	C	.	.			trans	57.4	31.9	-176.3	-52.1	0	0	0	0	113	P324 Y335 K337 D591	P324-C594 HydrophobicContact CB-CB 4.5Å; P324-C594 HydrophobicContact CG-CB 4.44Å; Y335-C594 HydrophobicContact CD2-CB 4.44Å; Y335-C594 WeakPolarHBondContact CE2-O 3.27Å; K337-C594 HydrophobicContact CB-CB 4.04Å; K337-C594 HydrophobicContact CD-CB 4.17Å; K337-C594 HydrophobicContact CG-CB 3.93Å; D591-C594 PolarHBondContact O-N 3.08Å; D591-C594 VanDerWaalsContact O-N 3.09Å; D591-C594 PolarHBondContact OD1-N 3.43Å
595	R	86.1	Confident	87.7	Confident	133 Å²	133	47.3 Å²	47.3	50%	0.502	24%	0.236	S	C	.	.			trans	-90.1	131.7	172.3	-53.7	-178.2	-166.8	-154.1	3.9	110.1	L590 D591 E593	L590-R595 WeakPolarHBondContact CA-O 3.46Å; D591-R595 PolarHBondContact N-O 2.85Å; D591-R595 WeakPolarHBondContact OD1-CB 3.31Å; D591-R595 PolarHBondContact OD1-N 3.36Å; E593-R595 HydrophobicContact CB-CG 4.23Å; E593-R595 PolarHBondContact O-N 3.07Å; E593-R595 IonicContact OE2-CZ 3.89Å; E593-R595 VanDerWaalsContact OE2-CZ 3.26Å; E593-R595 IonicContact OE2-NE 2.76Å; E593-R595 PolarHBondContact OE2-NE 3.02Å; E593-R595 IonicContact OE2-NH2 2.76Å; E593-R595 PolarHBondContact OE2-NH2 3.09Å
596	P	88.4	Confident	87.7	Confident	49 Å²	49	43.6 Å²	43.6	32%	0.318	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136	174.6	29.4	-33.2	0	0	0	110.9	L344 C589 L590	L344-P596 HydrophobicContact CD1-CB 4.5Å; L344-P596 HydrophobicContact CD1-CG 4.43Å; L344-P596 HydrophobicContact CD2-CB 3.64Å; L344-P596 HydrophobicContact CD2-CG 4.38Å; C589-P596 CarbonylContact O-C 3.57Å; C589-P596 WeakPolarHBondContact O-CA 3.46Å; L590-P596 HydrophobicContact CD2-CB 4.22Å
597	R	88.4	Confident	87.5	Confident	107 Å²	107	45 Å²	45	40%	0.404	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.8	176	-61.7	-172.4	-173.5	-146.9	1	109.8	C589 D591	C589-R597 PolarHBondContact N-O 2.96Å; C589-R597 PolarHBondContact O-N 2.95Å; C589-R597 PolarHBondContact SG-O 2.86Å; D591-R597 IonicContact OD2-CZ 3.56Å; D591-R597 IonicContact OD2-NE 2.84Å; D591-R597 PolarHBondContact OD2-NE 2.85Å; D591-R597 IonicContact OD2-NH2 3.69Å; D591-R597 PolarHBondContact OD2-NH2 2.79Å
598	V	90.4	Very high	87.2	Confident	70 Å²	70	45 Å²	45	42%	0.424	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.7	173	-172.8	0	0	0	0	108	N586 Y588	N586-V598 HydrophobicContact CB-CG1 3.87Å; Y588-V598 HydrophobicContact CD1-CG1 4.47Å; Y588-V598 HydrophobicContact CD1-CG2 3.67Å; Y588-V598 HydrophobicContact CE1-CG1 4.27Å; Y588-V598 HydrophobicContact CE1-CG2 3.71Å
599	L	89.9	Confident	87	Confident	31 Å²	31	44.5 Å²	44.5	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.2	176.8	-63.3	-178.6	0	0	0	109.8	I558 L573 I577 V587	I558-L599 HydrophobicContact CD1-CD1 4.12Å; L573-L599 HydrophobicContact CD2-CD1 3.81Å; I577-L599 HydrophobicContact CD1-CD1 3.38Å; V587-L599 PolarHBondContact N-O 2.97Å; V587-L599 PolarHBondContact O-N 3.22Å
600	T	90.8	Very high	86.7	Confident	85 Å²	85	45.6 Å²	45.6	52%	0.521	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	137.9	171.8	-48.1	0	0	0	0	110.4	R571 N585 N586	R571-T600 PolarHBondContact NH1-O 3.38Å; N585-T600 HydrophobicContact CB-CG2 4.16Å; N585-T600 CarbonylContact O-C 3.59Å; N585-T600 VanDerWaalsContact O-CA 3.27Å; N585-T600 WeakPolarHBondContact O-CA 3.44Å; N586-T600 PolarHBondContact OD1-OG1 3.17Å; N586-T600 VanDerWaalsContact OD1-OG1 3.13Å
601	I	89.8	Confident	86.4	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.041	23%	0.226	C	C	.	.			trans	-122.5	153	176.7	60.1	164.1	0	0	0	110.2	I551 I558 I570 V582 N585 V587 P603	I551-I601 HydrophobicContact CD1-CD1 3.81Å; I558-I601 HydrophobicContact CD1-CG2 4.04Å; I570-I601 HydrophobicContact CD1-CD1 4.39Å; I570-I601 HydrophobicContact CG2-CB 3.86Å; I570-I601 HydrophobicContact CG2-CG2 4.15Å; V582-I601 HydrophobicContact CG1-CD1 4.33Å; N585-I601 VanDerWaalsContact O-CG1 3.29Å; N585-I601 WeakPolarHBondContact O-CG1 3.43Å; N585-I601 PolarHBondContact O-N 2.99Å; V587-I601 HydrophobicContact CG2-CB 4.32Å; V587-I601 HydrophobicContact CG2-CD1 3.68Å; V587-I601 HydrophobicContact CG2-CG1 3.86Å; V587-I601 HydrophobicContact CG2-CG2 3.54Å; I601-P603 WeakPolarHBondContact O-CD 3.41Å
602	D	87.1	Confident	86.3	Confident	102 Å²	102	45.9 Å²	45.9	55%	0.545	23%	0.226	S	C	.	.			trans	-96.4	112.3	170.4	-178.4	3.6	0	0	0	109.4	T604	D602-T604 VanDerWaalsContact C-N 3.33Å; D602-T604 VanDerWaalsContact OD1-CB 3.27Å; D602-T604 WeakPolarHBondContact OD1-CB 3.48Å; D602-T604 PolarHBondContact OD1-N 2.94Å; D602-T604 PolarHBondContact OD1-OG1 2.95Å
603	P	86.9	Confident	86.4	Confident	9 Å²	9	45.3 Å²	45.3	6%	0.058	23%	0.227	C	C	.	.			trans	-86	-1.6	-178.7	36.9	-38.2	0	0	0	114.4	N585 I601 E605 F606 K607	N585-P603 WeakPolarHBondContact OD1-CG 3.18Å; I601-P603 WeakPolarHBondContact O-CD 3.41Å; P603-E605 VanDerWaalsContact C-N 3.33Å; P603-E605 PolarHBondContact O-N 2.82Å; P603-F606 HydrophobicContact CB-CD1 4.36Å; P603-F606 HydrophobicContact CB-CE1 3.5Å; P603-F606 VanDerWaalsContact CB-CE1 3.5Å; P603-F606 HydrophobicContact CB-CE2 3.95Å; P603-F606 HydrophobicContact CB-CZ 3.24Å; P603-F606 PolarHBondContact O-N 2.92Å; P603-K607 HydrophobicContact CB-CD 4Å; P603-K607 HydrophobicContact CB-CG 4.27Å; P603-K607 HydrophobicContact CG-CD 4.15Å; P603-K607 WeakPolarHBondContact O-CB 3.44Å; P603-K607 WeakPolarHBondContact O-CG 3.29Å; P603-K607 PolarHBondContact O-N 2.88Å
604	T	84.5	Confident	86.7	Confident	37 Å²	37	46.5 Å²	46.5	23%	0.227	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-41.4	-167.1	-48.9	0	0	0	0	112.2	D602 F608 A627 L629	D602-T604 VanDerWaalsContact C-N 3.33Å; D602-T604 VanDerWaalsContact OD1-CB 3.27Å; D602-T604 WeakPolarHBondContact OD1-CB 3.48Å; D602-T604 PolarHBondContact OD1-N 2.94Å; D602-T604 PolarHBondContact OD1-OG1 2.95Å; T604-F608 VanDerWaalsContact O-CB 3.28Å; T604-F608 WeakPolarHBondContact O-CB 3.29Å; T604-F608 PolarHBondContact O-N 2.77Å; T604-A627 HydrophobicContact CG2-CB 3.94Å; T604-L629 HydrophobicContact CG2-CD2 3.5Å; T604-L629 HydrophobicContact CG2-CG 4.04Å
605	E	84.4	Confident	86.7	Confident	42 Å²	42	54.7 Å²	54.7	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-62.6	-51.5	-179.3	-173.4	-169.8	166.4	0	0	112.8	Y560 P603 K607 F608 K609 I634	Y560-E605 PolarHBondContact OH-OE1 3.32Å; P603-E605 VanDerWaalsContact C-N 3.33Å; P603-E605 PolarHBondContact O-N 2.82Å; E605-K607 VanDerWaalsContact C-N 3.35Å; E605-F608 WeakPolarHBondContact O-CB 3.47Å; E605-F608 PolarHBondContact O-N 2.85Å; E605-K609 PolarHBondContact O-N 2.97Å; E605-K609 IonicContact OE1-NZ 3.11Å; E605-K609 PolarHBondContact OE1-NZ 2.88Å; E605-I634 HydrophobicContact CG-CG1 4.41Å
606	F	86.6	Confident	86.6	Confident	3 Å²	3	53 Å²	53	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-74.4	-29.5	-176.7	69.4	-108.9	0	0	0	111.9	V549 I551 Y560 I570 P603 K609 L610	V549-F606 HydrophobicContact CB-CD2 4.26Å; V549-F606 HydrophobicContact CB-CE2 4.34Å; V549-F606 HydrophobicContact CG1-CD2 4.07Å; V549-F606 HydrophobicContact CG1-CE2 4.43Å; V549-F606 HydrophobicContact CG1-CG 4.33Å; V549-F606 HydrophobicContact CG2-CD2 3.9Å; V549-F606 HydrophobicContact CG2-CE2 4.25Å; I551-F606 HydrophobicContact CD1-CE1 4.43Å; I551-F606 HydrophobicContact CD1-CZ 4.36Å; Y560-F606 HydrophobicContact CD1-CB 3.94Å; Y560-F606 HydrophobicContact CD1-CD1 4.15Å; Y560-F606 HydrophobicContact CD1-CG 4.49Å; Y560-F606 HydrophobicContact CD2-CB 3.4Å; Y560-F606 VanDerWaalsContact CD2-CB 3.4Å; Y560-F606 HydrophobicContact CD2-CG 4.27Å; Y560-F606 HydrophobicContact CE1-CB 3.91Å; Y560-F606 HydrophobicContact CE2-CB 3.38Å; Y560-F606 HydrophobicContact CG-CB 3.7Å; Y560-F606 HydrophobicContact CG-CD1 4.12Å; Y560-F606 HydrophobicContact CG-CG 4.21Å; I570-F606 HydrophobicContact CD1-CD1 4.21Å; I570-F606 HydrophobicContact CD1-CE1 4.11Å; P603-F606 HydrophobicContact CB-CD1 4.36Å; P603-F606 HydrophobicContact CB-CE1 3.5Å; P603-F606 VanDerWaalsContact CB-CE1 3.5Å; P603-F606 HydrophobicContact CB-CE2 3.95Å; P603-F606 HydrophobicContact CB-CZ 3.24Å; P603-F606 PolarHBondContact O-N 2.92Å; F606-K609 PolarHBondContact O-N 3.14Å; F606-L610 WeakPolarHBondContact O-CB 3.32Å; F606-L610 PolarHBondContact O-N 3.19Å
607	K	87.3	Confident	86.2	Confident	85 Å²	85	53.6 Å²	53.6	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-41.4	171.5	-75.9	-177.3	175.4	-178.8	0	111.4	P603 E605 L610 A611	P603-K607 HydrophobicContact CB-CD 4Å; P603-K607 HydrophobicContact CB-CG 4.27Å; P603-K607 HydrophobicContact CG-CD 4.15Å; P603-K607 WeakPolarHBondContact O-CB 3.44Å; P603-K607 WeakPolarHBondContact O-CG 3.29Å; P603-K607 PolarHBondContact O-N 2.88Å; E605-K607 VanDerWaalsContact C-N 3.35Å; K607-L610 PolarHBondContact O-N 2.95Å; K607-A611 WeakPolarHBondContact O-CB 3.48Å; K607-A611 PolarHBondContact O-N 2.86Å
608	F	85.6	Confident	85.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-50.4	173.5	178	-89.5	0	0	0	111.5	T604 E605 L610 A611 L612 V620 V624 L629 I634 L638 F650	T604-F608 VanDerWaalsContact O-CB 3.28Å; T604-F608 WeakPolarHBondContact O-CB 3.29Å; T604-F608 PolarHBondContact O-N 2.77Å; E605-F608 WeakPolarHBondContact O-CB 3.47Å; E605-F608 PolarHBondContact O-N 2.85Å; F608-L610 VanDerWaalsContact C-N 3.34Å; F608-L610 PolarHBondContact O-N 2.93Å; F608-A611 PolarHBondContact O-N 2.85Å; F608-L612 PolarHBondContact O-N 3.31Å; F608-V620 HydrophobicContact CD2-CG1 4.36Å; F608-V620 HydrophobicContact CE2-CG1 3.63Å; F608-V620 HydrophobicContact CZ-CG1 4.05Å; F608-V624 HydrophobicContact CE2-CG2 4.13Å; F608-L629 HydrophobicContact CD2-CD1 4.06Å; F608-L629 HydrophobicContact CE2-CD1 4.41Å; F608-I634 HydrophobicContact CD1-CG2 4.13Å; F608-I634 HydrophobicContact CE1-CG2 3.68Å; F608-I634 HydrophobicContact CZ-CG2 4.2Å; F608-L638 HydrophobicContact CE1-CD1 4.38Å; F608-L638 HydrophobicContact CE1-CD2 4Å; F608-L638 HydrophobicContact CE1-CG 4.33Å; F608-L638 HydrophobicContact CZ-CD1 4.14Å; F608-L638 HydrophobicContact CZ-CD2 4.1Å; F608-L638 HydrophobicContact CZ-CG 4.49Å; F608-F650 HydrophobicContact CE2-CE2 4.48Å; F608-F650 HydrophobicContact CE2-CZ 4.13Å; F608-F650 HydrophobicContact CZ-CE2 4.37Å; F608-F650 HydrophobicContact CZ-CZ 4.42Å
609	K	86.1	Confident	85.3	Confident	13 Å²	13	55.8 Å²	55.8	6%	0.057	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-39.9	177.4	-67.7	-178	-176.6	162.6	0	112.2	Y560 E605 F606 L612 I613 Y637	Y560-K609 VanDerWaalsContact OH-CD 3.3Å; Y560-K609 WeakPolarHBondContact OH-CD 3.47Å; Y560-K609 PolarHBondContact OH-NZ 3.22Å; E605-K609 PolarHBondContact O-N 2.97Å; E605-K609 IonicContact OE1-NZ 3.11Å; E605-K609 PolarHBondContact OE1-NZ 2.88Å; F606-K609 PolarHBondContact O-N 3.14Å; K609-L612 PolarHBondContact O-N 3.21Å; K609-I613 WeakPolarHBondContact O-CD1 3.37Å; K609-I613 VanDerWaalsContact O-CG1 3.24Å; K609-I613 WeakPolarHBondContact O-CG1 3.48Å; K609-I613 PolarHBondContact O-N 2.83Å; K609-Y637 HydrophobicContact CB-CE1 4.3Å; K609-Y637 HydrophobicContact CD-CD1 4.32Å; K609-Y637 HydrophobicContact CD-CD2 4.2Å; K609-Y637 HydrophobicContact CD-CE1 4.11Å; K609-Y637 HydrophobicContact CD-CE2 3.98Å; K609-Y637 HydrophobicContact CD-CG 4.35Å; K609-Y637 HydrophobicContact CG-CD1 4.05Å; K609-Y637 HydrophobicContact CG-CE1 3.66Å; K609-Y637 HydrophobicContact CG-CE2 4.4Å
610	L	85.9	Confident	84.8	Confident	26 Å²	26	54.4 Å²	54.4	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-63.6	-42	176.6	-175.6	64.8	0	0	0	111.8	V549 V562 F606 K607 F608 I613 N614	V549-L610 HydrophobicContact CG2-CD2 4.11Å; V562-L610 HydrophobicContact CG1-CD1 4.17Å; F606-L610 WeakPolarHBondContact O-CB 3.32Å; F606-L610 PolarHBondContact O-N 3.19Å; K607-L610 PolarHBondContact O-N 2.95Å; F608-L610 VanDerWaalsContact C-N 3.34Å; F608-L610 PolarHBondContact O-N 2.93Å; L610-I613 PolarHBondContact O-N 2.89Å; L610-N614 WeakPolarHBondContact O-CB 3.19Å; L610-N614 VanDerWaalsContact O-CG 3.27Å; L610-N614 PolarHBondContact O-N 2.76Å; L610-N614 PolarHBondContact O-ND2 3.06Å
611	A	85.6	Confident	83.9	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-40.3	176.5	0	0	0	0	0	111.8	K607 F608 N614 R615 K616 V620 M623	K607-A611 WeakPolarHBondContact O-CB 3.48Å; K607-A611 PolarHBondContact O-N 2.86Å; F608-A611 PolarHBondContact O-N 2.85Å; A611-N614 CarbonylContact O-C 3.46Å; A611-N614 PolarHBondContact O-N 3.11Å; A611-R615 PolarHBondContact O-N 2.93Å; A611-R615 VanDerWaalsContact O-N 3.11Å; A611-K616 HydrophobicContact CB-CB 4.43Å; A611-K616 PolarHBondContact O-N 3.45Å; A611-V620 HydrophobicContact CB-CG2 3.74Å; A611-M623 HydrophobicContact CB-CE 3.68Å
612	L	83.7	Confident	83.5	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-63.5	-44.7	174.8	-168.6	72.5	0	0	0	111.8	F608 K609 N614 R615 Y617 Y637 L638 Y643	F608-L612 PolarHBondContact O-N 3.31Å; K609-L612 PolarHBondContact O-N 3.21Å; L612-N614 VanDerWaalsContact C-N 3.33Å; L612-N614 PolarHBondContact O-N 3.01Å; L612-R615 PolarHBondContact O-N 3.22Å; L612-R615 VanDerWaalsContact O-N 3.12Å; L612-Y617 HydrophobicContact CD1-CE1 4.46Å; L612-Y637 HydrophobicContact CD2-CE1 3.81Å; L612-L638 HydrophobicContact CD2-CD2 3.99Å; L612-Y643 HydrophobicContact CD1-CD2 4.24Å; L612-Y643 HydrophobicContact CD1-CE2 4.18Å; L612-Y643 HydrophobicContact CD2-CD2 4.03Å; L612-Y643 HydrophobicContact CD2-CE2 4.13Å; L612-Y643 HydrophobicContact CG-CE2 4.31Å
613	I	83.9	Confident	82.9	Confident	49 Å²	49	53.6 Å²	53.6	25%	0.251	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.6	-70.9	161.5	0	0	0	111.1	V562 T564 K609 L610 R615	V562-I613 HydrophobicContact CG1-CD1 3.97Å; T564-I613 HydrophobicContact CG2-CD1 4.04Å; T564-I613 HydrophobicContact CG2-CG1 4.39Å; T564-I613 HydrophobicContact CG2-CG2 3.64Å; T564-I613 WeakPolarHBondContact OG1-CD1 3.28Å; K609-I613 WeakPolarHBondContact O-CD1 3.37Å; K609-I613 VanDerWaalsContact O-CG1 3.24Å; K609-I613 WeakPolarHBondContact O-CG1 3.48Å; K609-I613 PolarHBondContact O-N 2.83Å; L610-I613 PolarHBondContact O-N 2.89Å; I613-R615 PolarHBondContact O-N 3.21Å
614	N	85.1	Confident	82.2	Confident	93 Å²	93	54.5 Å²	54.5	50%	0.497	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	4.3	178.8	-68.5	-18.4	0	0	0	113.2	L610 A611 L612 K616	L610-N614 WeakPolarHBondContact O-CB 3.19Å; L610-N614 VanDerWaalsContact O-CG 3.27Å; L610-N614 PolarHBondContact O-N 2.76Å; L610-N614 PolarHBondContact O-ND2 3.06Å; A611-N614 CarbonylContact O-C 3.46Å; A611-N614 PolarHBondContact O-N 3.11Å; L612-N614 VanDerWaalsContact C-N 3.33Å; L612-N614 PolarHBondContact O-N 3.01Å; N614-K616 VanDerWaalsContact C-N 3.25Å; N614-K616 HydrophobicContact CB-CG 4.23Å; N614-K616 PolarHBondContact O-N 2.97Å
615	R	84.2	Confident	81.5	Confident	193 Å²	193	60.3 Å²	60.3	73%	0.728	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	33.8	-179.9	-54.3	-178.4	179.9	-169.5	-3.6	113.9	A611 L612 I613 Y617	A611-R615 PolarHBondContact O-N 2.93Å; A611-R615 VanDerWaalsContact O-N 3.11Å; L612-R615 PolarHBondContact O-N 3.22Å; L612-R615 VanDerWaalsContact O-N 3.12Å; I613-R615 PolarHBondContact O-N 3.21Å; R615-Y617 HydrophobicContact CB-CE2 4.12Å; R615-Y617 PolarHBondContact O-N 3.11Å
616	K	84.9	Confident	80.9	Confident	98 Å²	98	63.8 Å²	63.8	43%	0.426	29%	0.294	S	S	.	.			trans	-92.8	74.5	177.4	-67.5	-170.7	171.3	-168	0	111.3	A611 N614 D618 E619 V620	A611-K616 HydrophobicContact CB-CB 4.43Å; A611-K616 PolarHBondContact O-N 3.45Å; N614-K616 VanDerWaalsContact C-N 3.25Å; N614-K616 HydrophobicContact CB-CG 4.23Å; N614-K616 PolarHBondContact O-N 2.97Å; K616-D618 VanDerWaalsContact C-N 3.34Å; K616-D618 PolarHBondContact O-N 3.2Å; K616-E619 HydrophobicContact CB-CB 4.34Å; K616-E619 HydrophobicContact CB-CG 4.48Å; K616-E619 VanDerWaalsContact CD-CD 3.46Å; K616-E619 HydrophobicContact CD-CG 4.44Å; K616-E619 WeakPolarHBondContact CD-OE1 3.27Å; K616-E619 VanDerWaalsContact CD-OE2 3.28Å; K616-E619 WeakPolarHBondContact CD-OE2 3.29Å; K616-E619 IonicContact NZ-OE1 3.88Å; K616-E619 PolarHBondContact NZ-OE1 3.17Å; K616-E619 IonicContact NZ-OE2 2.82Å; K616-E619 PolarHBondContact O-N 3.27Å; K616-V620 WeakPolarHBondContact O-CG2 3.47Å; K616-V620 PolarHBondContact O-N 2.88Å
617	Y	78.9	Confident	79.8	Confident	61 Å²	61	65.1 Å²	65.1	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-31	-171.6	-56.5	-61.1	0	0	0	114.2	L612 R615 V620 L621 F826 F827	L612-Y617 HydrophobicContact CD1-CE1 4.46Å; R615-Y617 HydrophobicContact CB-CE2 4.12Å; R615-Y617 PolarHBondContact O-N 3.11Å; Y617-V620 WeakPolarHBondContact O-CB 3.24Å; Y617-V620 PolarHBondContact O-N 3.47Å; Y617-L621 PolarHBondContact O-N 3.48Å; Y617-F826 HydrophobicContact CD2-CE1 4.39Å; Y617-F827 HydrophobicContact CD1-CE1 4.5Å; Y617-F827 HydrophobicContact CD1-CE2 4.39Å; Y617-F827 AromaticContact CD1-CZ 3.64Å; Y617-F827 HydrophobicContact CD1-CZ 3.64Å; Y617-F827 HydrophobicContact CE1-CZ 4.42Å; Y617-F827 HydrophobicContact CG-CZ 4.08Å
618	D	78.9	Confident	78.6	Confident	130 Å²	130	70.6 Å²	70.6	70%	0.695	33%	0.329	S	S	*	.	H	α-helix	trans	-65.5	-43.1	176.8	-63.4	-50.1	0	0	0	112.6	K616 V620 L621 H622	K616-D618 VanDerWaalsContact C-N 3.34Å; K616-D618 PolarHBondContact O-N 3.2Å; D618-V620 VanDerWaalsContact C-N 3.3Å; D618-V620 PolarHBondContact O-N 3.19Å; D618-L621 PolarHBondContact O-N 3.38Å; D618-H622 WeakPolarHBondContact O-CB 3.41Å; D618-H622 PolarHBondContact O-N 2.95Å
619	E	80.1	Confident	77.4	Confident	93 Å²	93	71.9 Å²	71.9	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-39.2	175.4	-71.7	-178.6	-168.1	0	0	110.5	K616 H622 M623	K616-E619 HydrophobicContact CB-CB 4.34Å; K616-E619 HydrophobicContact CB-CG 4.48Å; K616-E619 VanDerWaalsContact CD-CD 3.46Å; K616-E619 HydrophobicContact CD-CG 4.44Å; K616-E619 WeakPolarHBondContact CD-OE1 3.27Å; K616-E619 VanDerWaalsContact CD-OE2 3.28Å; K616-E619 WeakPolarHBondContact CD-OE2 3.29Å; K616-E619 IonicContact NZ-OE1 3.88Å; K616-E619 PolarHBondContact NZ-OE1 3.17Å; K616-E619 IonicContact NZ-OE2 2.82Å; K616-E619 PolarHBondContact O-N 3.27Å; E619-H622 PolarHBondContact O-N 3.37Å; E619-M623 HydrophobicContact CB-CE 4.22Å; E619-M623 WeakPolarHBondContact O-CB 3.49Å; E619-M623 VanDerWaalsContact O-CE 3.32Å; E619-M623 WeakPolarHBondContact O-CE 3.49Å; E619-M623 VanDerWaalsContact O-CG 3.3Å; E619-M623 WeakPolarHBondContact O-CG 3.44Å; E619-M623 PolarHBondContact O-N 3.12Å
620	V	80.1	Confident	75.9	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.006	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-49.1	175.7	173	0	0	0	0	110.7	F608 A611 K616 Y617 D618 H622 M623 V624	F608-V620 HydrophobicContact CD2-CG1 4.36Å; F608-V620 HydrophobicContact CE2-CG1 3.63Å; F608-V620 HydrophobicContact CZ-CG1 4.05Å; A611-V620 HydrophobicContact CB-CG2 3.74Å; K616-V620 WeakPolarHBondContact O-CG2 3.47Å; K616-V620 PolarHBondContact O-N 2.88Å; Y617-V620 WeakPolarHBondContact O-CB 3.24Å; Y617-V620 PolarHBondContact O-N 3.47Å; D618-V620 VanDerWaalsContact C-N 3.3Å; D618-V620 PolarHBondContact O-N 3.19Å; V620-H622 PolarHBondContact O-N 3.47Å; V620-M623 PolarHBondContact O-N 3.45Å; V620-V624 HydrophobicContact CG1-CG2 4.24Å; V620-V624 WeakPolarHBondContact O-CG2 3.45Å; V620-V624 PolarHBondContact O-N 3.19Å
621	L	73.3	Confident	74.8	Confident	25 Å²	25	78 Å²	78	13%	0.131	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-42.2	178.5	-77.2	170	0	0	0	113.1	Y617 D618 M623 V624 R625 F827 I831	Y617-L621 PolarHBondContact O-N 3.48Å; D618-L621 PolarHBondContact O-N 3.38Å; L621-M623 VanDerWaalsContact C-N 3.32Å; L621-M623 PolarHBondContact O-N 3.48Å; L621-V624 PolarHBondContact O-N 3.2Å; L621-R625 WeakPolarHBondContact O-CG 3.27Å; L621-R625 PolarHBondContact O-N 3.43Å; L621-R625 VanDerWaalsContact O-N 3.08Å; L621-F827 HydrophobicContact CD1-CD1 3.87Å; L621-F827 HydrophobicContact CD1-CE1 3.95Å; L621-F827 HydrophobicContact CD2-CD1 3.72Å; L621-F827 HydrophobicContact CD2-CE1 4.01Å; L621-F827 HydrophobicContact CG-CD1 3.9Å; L621-F827 HydrophobicContact CG-CE1 3.78Å; L621-I831 HydrophobicContact CD2-CD1 3.8Å; L621-I831 HydrophobicContact CD2-CG1 4.3Å
622	H	79.7	Confident	73.9	Confident	121 Å²	121	83.6 Å²	83.6	56%	0.56	41%	0.406	S	S	*	.	H	α-helix	trans	-61.9	-42.3	175.1	179.1	-87.7	0	0	0	111.3	D618 E619 V620 R625 N626	D618-H622 WeakPolarHBondContact O-CB 3.41Å; D618-H622 PolarHBondContact O-N 2.95Å; E619-H622 PolarHBondContact O-N 3.37Å; V620-H622 PolarHBondContact O-N 3.47Å; H622-R625 PolarHBondContact O-N 3.4Å; H622-N626 PolarHBondContact CD2-ND2 3.37Å; H622-N626 PolarHBondContact CE1-ND2 3.45Å; H622-N626 PolarHBondContact NE2-ND2 3.01Å; H622-N626 WeakPolarHBondContact O-CB 3.39Å; H622-N626 PolarHBondContact O-N 3.22Å; H622-N626 VanDerWaalsContact O-N 3.11Å
623	M	75.5	Confident	73.4	Confident	33 Å²	33	86.2 Å²	86.2	16%	0.163	43%	0.426	C	S	.	.	H	α-helix	trans	-64.6	-38.8	174.4	-74.1	-174.2	-78.3	0	0	112.2	A611 E619 V620 L621 R625 A627	A611-M623 HydrophobicContact CB-CE 3.68Å; E619-M623 HydrophobicContact CB-CE 4.22Å; E619-M623 WeakPolarHBondContact O-CB 3.49Å; E619-M623 VanDerWaalsContact O-CE 3.32Å; E619-M623 WeakPolarHBondContact O-CE 3.49Å; E619-M623 VanDerWaalsContact O-CG 3.3Å; E619-M623 WeakPolarHBondContact O-CG 3.44Å; E619-M623 PolarHBondContact O-N 3.12Å; V620-M623 PolarHBondContact O-N 3.45Å; L621-M623 VanDerWaalsContact C-N 3.32Å; L621-M623 PolarHBondContact O-N 3.48Å; M623-R625 PolarHBondContact O-N 3.46Å; M623-A627 WeakPolarHBondContact O-CA 3.42Å; M623-A627 WeakPolarHBondContact O-CB 3.39Å; M623-A627 PolarHBondContact O-N 3.09Å
624	V	71.1	Confident	73	Confident	27 Å²	27	84.2 Å²	84.2	16%	0.164	42%	0.415	C	S	.	.	H	α-helix	trans	-60.9	-44	177.3	175.7	0	0	0	0	111.4	F608 V620 L621 V646 H649 F650	F608-V624 HydrophobicContact CE2-CG2 4.13Å; V620-V624 HydrophobicContact CG1-CG2 4.24Å; V620-V624 WeakPolarHBondContact O-CG2 3.45Å; V620-V624 PolarHBondContact O-N 3.19Å; L621-V624 PolarHBondContact O-N 3.2Å; V624-V646 HydrophobicContact CG2-CG1 4.4Å; V624-H649 HydrophobicContact CG1-CB 4.46Å; V624-F650 HydrophobicContact CB-CE1 4.21Å; V624-F650 HydrophobicContact CB-CE2 4.4Å; V624-F650 HydrophobicContact CB-CZ 3.74Å; V624-F650 HydrophobicContact CG1-CD1 4.49Å; V624-F650 HydrophobicContact CG1-CE1 3.84Å; V624-F650 HydrophobicContact CG1-CE2 3.98Å; V624-F650 HydrophobicContact CG1-CZ 3.58Å; V624-F650 HydrophobicContact CG2-CE1 4.25Å; V624-F650 HydrophobicContact CG2-CE2 3.75Å; V624-F650 HydrophobicContact CG2-CZ 3.31Å
625	R	70.1	Confident	72.5	Confident	160 Å²	160	80.4 Å²	80.4	60%	0.604	40%	0.395	S	S	*	.	H	α-helix	trans	-74.4	-38.4	-176.8	-68.7	178.9	-178.2	-178.1	-0	113.1	L621 H622 M623	L621-R625 WeakPolarHBondContact O-CG 3.27Å; L621-R625 PolarHBondContact O-N 3.43Å; L621-R625 VanDerWaalsContact O-N 3.08Å; H622-R625 PolarHBondContact O-N 3.4Å; M623-R625 PolarHBondContact O-N 3.46Å
626	N	72.1	Confident	72.2	Confident	114 Å²	114	73.6 Å²	73.6	61%	0.61	38%	0.38	S	S	*	.	H	α-helix	trans	-106.6	-24.3	-167.1	-65.4	-22.6	0	0	0	114	H622	H622-N626 PolarHBondContact CD2-ND2 3.37Å; H622-N626 PolarHBondContact CE1-ND2 3.45Å; H622-N626 PolarHBondContact NE2-ND2 3.01Å; H622-N626 WeakPolarHBondContact O-CB 3.39Å; H622-N626 PolarHBondContact O-N 3.22Å; H622-N626 VanDerWaalsContact O-N 3.11Å
627	A	63.8	Low	72	Confident	31 Å²	31	70.1 Å²	70.1	26%	0.256	36%	0.364	S	S	.	.	S	Bend	trans	-92.8	133.1	-178.4	0	0	0	0	0	111.2	T604 M623 L629	T604-A627 HydrophobicContact CG2-CB 3.94Å; M623-A627 WeakPolarHBondContact O-CA 3.42Å; M623-A627 WeakPolarHBondContact O-CB 3.39Å; M623-A627 PolarHBondContact O-N 3.09Å; A627-L629 HydrophobicContact CB-CD1 4.16Å; A627-L629 HydrophobicContact CB-CG 4.05Å; A627-L629 PolarHBondContact O-N 3.35Å
628	K	61.6	Low	72	Confident	201 Å²	201	67.2 Å²	67.2	87%	0.874	35%	0.353	S	S	*	.			trans	-72.5	72	166.8	-71.3	-177.2	179.5	179.4	0	109.5	V630	K628-V630 PolarHBondContact O-N 3.01Å; K628-V630 VanDerWaalsContact O-N 3.16Å
629	L	61.7	Low	71.9	Confident	26 Å²	26	64 Å²	64	14%	0.136	33%	0.334	C	S	.	.			trans	-74.5	99.2	173	-75.1	154	0	0	0	108.1	T604 F608 A627 I634 F650	T604-L629 HydrophobicContact CG2-CD2 3.5Å; T604-L629 HydrophobicContact CG2-CG 4.04Å; F608-L629 HydrophobicContact CD2-CD1 4.06Å; F608-L629 HydrophobicContact CE2-CD1 4.41Å; A627-L629 HydrophobicContact CB-CD1 4.16Å; A627-L629 HydrophobicContact CB-CG 4.05Å; A627-L629 PolarHBondContact O-N 3.35Å; L629-I634 HydrophobicContact CB-CD1 4.12Å; L629-I634 HydrophobicContact CD2-CD1 3.67Å; L629-I634 HydrophobicContact CG-CD1 4.47Å; L629-F650 HydrophobicContact CB-CE1 4.02Å; L629-F650 HydrophobicContact CD1-CE1 3.8Å; L629-F650 HydrophobicContact CD1-CZ 3.96Å
630	V	54.7	Low	71.9	Confident	140 Å²	140	68.4 Å²	68.4	85%	0.848	35%	0.352	S	S	*	.			trans	-91.9	109.7	177.7	-168.5	0	0	0	0	108.2	K628	K628-V630 PolarHBondContact O-N 3.01Å; K628-V630 VanDerWaalsContact O-N 3.16Å
631	G	62	Low	71.8	Confident	28 Å²	28	72.8 Å²	72.8	29%	0.289	37%	0.37	S	S	.	.			trans	165	125.3	162.7	0	0	0	0	0	118.3	S633 I634	G631-S633 PolarHBondContact O-N 3.4Å; G631-S633 VanDerWaalsContact O-N 3.09Å; G631-I634 PolarHBondContact O-N 3.18Å
632	Q	66.7	Low	71.8	Confident	121 Å²	121	72.7 Å²	72.7	57%	0.565	38%	0.376	S	S	*	.	H	α-helix	trans	-48.1	-26.5	157.4	-71.9	-72.5	-13.4	0	0	113.1	I634 I635 A636	Q632-I634 PolarHBondContact O-N 3.06Å; Q632-I635 PolarHBondContact O-N 3.06Å; Q632-A636 WeakPolarHBondContact O-CB 3.43Å; Q632-A636 PolarHBondContact O-N 3.05Å
633	S	72.8	Confident	71.7	Confident	66 Å²	66	70.7 Å²	70.7	46%	0.462	36%	0.364	S	S	.	.	H	α-helix	trans	-65.3	-34.3	176.5	55	0	0	0	0	113.7	G631 Y637	G631-S633 PolarHBondContact O-N 3.4Å; G631-S633 VanDerWaalsContact O-N 3.09Å; S633-Y637 VanDerWaalsContact O-CB 3.28Å; S633-Y637 WeakPolarHBondContact O-CB 3.29Å; S633-Y637 PolarHBondContact O-N 3.08Å
634	I	75.9	Confident	71.5	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.036	36%	0.359	C	S	.	.	H	α-helix	trans	-77.3	-40.7	178.4	-61.6	170.9	0	0	0	109.5	E605 F608 L629 G631 Q632 Y637 L638	E605-I634 HydrophobicContact CG-CG1 4.41Å; F608-I634 HydrophobicContact CD1-CG2 4.13Å; F608-I634 HydrophobicContact CE1-CG2 3.68Å; F608-I634 HydrophobicContact CZ-CG2 4.2Å; L629-I634 HydrophobicContact CB-CD1 4.12Å; L629-I634 HydrophobicContact CD2-CD1 3.67Å; L629-I634 HydrophobicContact CG-CD1 4.47Å; G631-I634 PolarHBondContact O-N 3.18Å; Q632-I634 PolarHBondContact O-N 3.06Å; I634-Y637 CarbonylContact O-C 3.52Å; I634-Y637 WeakPolarHBondContact O-CB 3.28Å; I634-Y637 PolarHBondContact O-N 3.24Å; I634-Y637 VanDerWaalsContact O-N 3.16Å; I634-L638 HydrophobicContact CG2-CD1 4.03Å; I634-L638 HydrophobicContact CG2-CG 4.29Å; I634-L638 WeakPolarHBondContact O-CB 3.24Å; I634-L638 WeakPolarHBondContact O-CG 3.17Å; I634-L638 PolarHBondContact O-N 3.32Å
635	I	75.2	Confident	71.6	Confident	12 Å²	12	71.3 Å²	71.3	6%	0.062	37%	0.365	C	S	.	.	H	α-helix	trans	-58.7	-51.4	174.3	-66.5	154	0	0	0	109.8	Q632 Y637 L638 Q639 A647 F650 V651 L660	Q632-I635 PolarHBondContact O-N 3.06Å; I635-Y637 VanDerWaalsContact C-N 3.25Å; I635-Y637 PolarHBondContact O-N 3.41Å; I635-L638 PolarHBondContact O-N 3.24Å; I635-L638 VanDerWaalsContact O-N 3.14Å; I635-Q639 HydrophobicContact CG2-CG 4.48Å; I635-Q639 WeakPolarHBondContact O-CG 3.18Å; I635-Q639 PolarHBondContact O-N 3.35Å; I635-A647 HydrophobicContact CG2-CB 4.27Å; I635-F650 HydrophobicContact CG1-CB 4.46Å; I635-V651 HydrophobicContact CD1-CG2 3.46Å; I635-V651 VanDerWaalsContact CD1-CG2 3.46Å; I635-V651 HydrophobicContact CG1-CG2 3.92Å; I635-V651 HydrophobicContact CG2-CG2 4.35Å; I635-L660 HydrophobicContact CG2-CD1 4.2Å
636	A	77.6	Confident	71.8	Confident	51 Å²	51	64 Å²	64	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-35.2	176.3	0	0	0	0	0	112.5	Q632 K640	Q632-A636 WeakPolarHBondContact O-CB 3.43Å; Q632-A636 PolarHBondContact O-N 3.05Å; A636-K640 VanDerWaalsContact O-CB 3.29Å; A636-K640 WeakPolarHBondContact O-CB 3.29Å; A636-K640 PolarHBondContact O-N 3.01Å
637	Y	80	Confident	71.9	Confident	24 Å²	24	58.6 Å²	58.6	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-45.8	174.5	177.8	-96.9	0	0	0	112	D566 K609 L612 S633 I634 I635 K640 K641	D566-Y637 WeakPolarHBondContact OD2-CE2 3.14Å; D566-Y637 PolarHBondContact OD2-OH 3.01Å; K609-Y637 HydrophobicContact CB-CE1 4.3Å; K609-Y637 HydrophobicContact CD-CD1 4.32Å; K609-Y637 HydrophobicContact CD-CD2 4.2Å; K609-Y637 HydrophobicContact CD-CE1 4.11Å; K609-Y637 HydrophobicContact CD-CE2 3.98Å; K609-Y637 HydrophobicContact CD-CG 4.35Å; K609-Y637 HydrophobicContact CG-CD1 4.05Å; K609-Y637 HydrophobicContact CG-CE1 3.66Å; K609-Y637 HydrophobicContact CG-CE2 4.4Å; L612-Y637 HydrophobicContact CD2-CE1 3.81Å; S633-Y637 VanDerWaalsContact O-CB 3.28Å; S633-Y637 WeakPolarHBondContact O-CB 3.29Å; S633-Y637 PolarHBondContact O-N 3.08Å; I634-Y637 CarbonylContact O-C 3.52Å; I634-Y637 WeakPolarHBondContact O-CB 3.28Å; I634-Y637 PolarHBondContact O-N 3.24Å; I634-Y637 VanDerWaalsContact O-N 3.16Å; I635-Y637 VanDerWaalsContact C-N 3.25Å; I635-Y637 PolarHBondContact O-N 3.41Å; Y637-K640 PolarHBondContact O-N 3.45Å; Y637-K641 HydrophobicContact CD1-CG 4.3Å; Y637-K641 HydrophobicContact CD2-CG 4.36Å; Y637-K641 HydrophobicContact CE1-CG 3.91Å; Y637-K641 HydrophobicContact CE2-CD 4.44Å; Y637-K641 HydrophobicContact CE2-CG 3.99Å; Y637-K641 WeakPolarHBondContact O-CB 3.24Å; Y637-K641 VanDerWaalsContact O-CG 3.31Å; Y637-K641 WeakPolarHBondContact O-CG 3.39Å; Y637-K641 PolarHBondContact O-N 3.32Å; Y637-K641 WeakPolarHBondContact OH-CE 3.31Å
638	L	79.6	Confident	72.4	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-43.8	177.8	-72.7	172	0	0	0	111.1	F608 L612 I634 I635 K640 K641 G642 Y643 V646 A647 F650	F608-L638 HydrophobicContact CE1-CD1 4.38Å; F608-L638 HydrophobicContact CE1-CD2 4Å; F608-L638 HydrophobicContact CE1-CG 4.33Å; F608-L638 HydrophobicContact CZ-CD1 4.14Å; F608-L638 HydrophobicContact CZ-CD2 4.1Å; F608-L638 HydrophobicContact CZ-CG 4.49Å; L612-L638 HydrophobicContact CD2-CD2 3.99Å; I634-L638 HydrophobicContact CG2-CD1 4.03Å; I634-L638 HydrophobicContact CG2-CG 4.29Å; I634-L638 WeakPolarHBondContact O-CB 3.24Å; I634-L638 WeakPolarHBondContact O-CG 3.17Å; I634-L638 PolarHBondContact O-N 3.32Å; I635-L638 PolarHBondContact O-N 3.24Å; I635-L638 VanDerWaalsContact O-N 3.14Å; L638-K640 PolarHBondContact O-N 3.27Å; L638-K641 CarbonylContact O-C 3.57Å; L638-K641 PolarHBondContact O-N 2.92Å; L638-G642 PolarHBondContact O-N 2.82Å; L638-Y643 PolarHBondContact O-N 2.63Å; L638-V646 HydrophobicContact CD1-CB 4.4Å; L638-V646 HydrophobicContact CD1-CG1 4.15Å; L638-A647 HydrophobicContact CB-CB 4.13Å; L638-A647 HydrophobicContact CD1-CB 4.1Å; L638-F650 HydrophobicContact CD1-CD2 4.28Å; L638-F650 HydrophobicContact CD1-CE2 4.13Å
639	Q	76.8	Confident	73	Confident	64 Å²	64	54.2 Å²	54.2	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-56.9	-49.5	172.5	-73.6	-178.9	-55.6	0	0	111.4	I635 K641 G642 L660 E663	I635-Q639 HydrophobicContact CG2-CG 4.48Å; I635-Q639 WeakPolarHBondContact O-CG 3.18Å; I635-Q639 PolarHBondContact O-N 3.35Å; Q639-K641 VanDerWaalsContact C-N 3.29Å; Q639-K641 PolarHBondContact O-N 3.37Å; Q639-G642 PolarHBondContact O-N 3.45Å; Q639-L660 HydrophobicContact CG-CD2 3.58Å; Q639-E663 PolarHBondContact NE2-OE2 3.37Å
640	K	79.6	Confident	73.4	Confident	185 Å²	185	55.2 Å²	55.2	80%	0.804	29%	0.29	S	S	*	.	H	α-helix	trans	-64.1	-32.8	179.3	-173.9	177.4	-179.5	-178.6	0	113.1	A636 Y637 L638 G642	A636-K640 VanDerWaalsContact O-CB 3.29Å; A636-K640 WeakPolarHBondContact O-CB 3.29Å; A636-K640 PolarHBondContact O-N 3.01Å; Y637-K640 PolarHBondContact O-N 3.45Å; L638-K640 PolarHBondContact O-N 3.27Å; K640-G642 VanDerWaalsContact C-N 3.29Å
641	K	78.8	Confident	74.2	Confident	92 Å²	92	49 Å²	49	40%	0.4	25%	0.253	S	S	.	.	H	α-helix	trans	-85.6	-2.7	177.1	-68.6	-68.4	-174.4	174.9	0	113.1	D566 Y637 L638 Q639 Y643	D566-K641 IonicContact OD1-NZ 3.76Å; D566-K641 IonicContact OD2-NZ 2.95Å; Y637-K641 HydrophobicContact CD1-CG 4.3Å; Y637-K641 HydrophobicContact CD2-CG 4.36Å; Y637-K641 HydrophobicContact CE1-CG 3.91Å; Y637-K641 HydrophobicContact CE2-CD 4.44Å; Y637-K641 HydrophobicContact CE2-CG 3.99Å; Y637-K641 WeakPolarHBondContact O-CB 3.24Å; Y637-K641 VanDerWaalsContact O-CG 3.31Å; Y637-K641 WeakPolarHBondContact O-CG 3.39Å; Y637-K641 PolarHBondContact O-N 3.32Å; Y637-K641 WeakPolarHBondContact OH-CE 3.31Å; L638-K641 CarbonylContact O-C 3.57Å; L638-K641 PolarHBondContact O-N 2.92Å; Q639-K641 VanDerWaalsContact C-N 3.29Å; Q639-K641 PolarHBondContact O-N 3.37Å; K641-Y643 HydrophobicContact CB-CD2 3.9Å; K641-Y643 HydrophobicContact CB-CE2 4.15Å; K641-Y643 WeakPolarHBondContact O-CD2 3.41Å; K641-Y643 WeakPolarHBondContact O-CE2 3.22Å
642	G	73.4	Confident	74.8	Confident	24 Å²	24	56.9 Å²	56.9	25%	0.247	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	30.1	176	0	0	0	0	0	115.8	L638 Q639 K640 P644	L638-G642 PolarHBondContact O-N 2.82Å; Q639-G642 PolarHBondContact O-N 3.45Å; K640-G642 VanDerWaalsContact C-N 3.29Å; G642-P644 VanDerWaalsContact O-CD 3.29Å; G642-P644 WeakPolarHBondContact O-CD 3.35Å
643	Y	76.2	Confident	75.5	Confident	79 Å²	79	55.1 Å²	55.1	31%	0.31	27%	0.273	S	S	.	.			trans	-116	57.7	173.9	-58.7	-79.4	0	0	0	112.2	L612 L638 K641 E645 V646 A647	L612-Y643 HydrophobicContact CD1-CD2 4.24Å; L612-Y643 HydrophobicContact CD1-CE2 4.18Å; L612-Y643 HydrophobicContact CD2-CD2 4.03Å; L612-Y643 HydrophobicContact CD2-CE2 4.13Å; L612-Y643 HydrophobicContact CG-CE2 4.31Å; L638-Y643 PolarHBondContact O-N 2.63Å; K641-Y643 HydrophobicContact CB-CD2 3.9Å; K641-Y643 HydrophobicContact CB-CE2 4.15Å; K641-Y643 WeakPolarHBondContact O-CD2 3.41Å; K641-Y643 WeakPolarHBondContact O-CE2 3.22Å; Y643-E645 VanDerWaalsContact C-N 3.26Å; Y643-E645 PolarHBondContact O-N 3.2Å; Y643-V646 PolarHBondContact O-N 2.98Å; Y643-A647 PolarHBondContact O-N 2.63Å
644	P	71.8	Confident	76	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-26.1	-178.8	29.7	-35.5	0	0	0	113	G642 V646 A647 L648 L660 E663 C664 F915	G642-P644 VanDerWaalsContact O-CD 3.29Å; G642-P644 WeakPolarHBondContact O-CD 3.35Å; P644-V646 PolarHBondContact O-N 3.48Å; P644-A647 WeakPolarHBondContact O-CA 3.46Å; P644-A647 WeakPolarHBondContact O-CB 3.33Å; P644-A647 PolarHBondContact O-N 3.34Å; P644-A647 VanDerWaalsContact O-N 3.12Å; P644-L648 PolarHBondContact O-N 3.48Å; P644-L660 HydrophobicContact CB-CD2 4.04Å; P644-E663 HydrophobicContact CB-CB 4.45Å; P644-C664 VanDerWaalsContact C-SG 3.51Å; P644-F915 HydrophobicContact CG-CE1 4.34Å
645	E	73.1	Confident	76.5	Confident	65 Å²	65	61.9 Å²	61.9	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-45.7	177.1	-59.2	174.7	166.6	0	0	112.3	Y643 A647 L648 C664 G825	Y643-E645 VanDerWaalsContact C-N 3.26Å; Y643-E645 PolarHBondContact O-N 3.2Å; E645-A647 PolarHBondContact O-N 2.92Å; E645-L648 VanDerWaalsContact O-CB 3.3Å; E645-L648 WeakPolarHBondContact O-CB 3.09Å; E645-L648 PolarHBondContact O-N 3.39Å; E645-C664 HydrophobicContact CG-CB 4.5Å; E645-C664 PolarHBondContact N-SG 2.85Å; E645-G825 WeakPolarHBondContact OE1-CA 3.47Å; E645-G825 PolarHBondContact OE1-N 3.46Å; E645-G825 WeakPolarHBondContact OE2-CA 3.29Å
646	V	75.4	Confident	76.9	Confident	7 Å²	7	62.7 Å²	62.7	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-65.8	-34.9	176.7	-178.6	0	0	0	0	110	V624 L638 Y643 P644 L648 H649 F650 F827	V624-V646 HydrophobicContact CG2-CG1 4.4Å; L638-V646 HydrophobicContact CD1-CB 4.4Å; L638-V646 HydrophobicContact CD1-CG1 4.15Å; Y643-V646 PolarHBondContact O-N 2.98Å; P644-V646 PolarHBondContact O-N 3.48Å; V646-L648 VanDerWaalsContact C-N 3.31Å; V646-L648 PolarHBondContact O-N 3.06Å; V646-H649 PolarHBondContact O-N 2.95Å; V646-F650 HydrophobicContact CG1-CE2 4.08Å; V646-F650 VanDerWaalsContact O-CD2 3.25Å; V646-F650 WeakPolarHBondContact O-CD2 3.42Å; V646-F827 HydrophobicContact CG2-CD1 4.49Å; V646-F827 HydrophobicContact CG2-CD2 3.49Å; V646-F827 VanDerWaalsContact CG2-CD2 3.49Å; V646-F827 HydrophobicContact CG2-CE1 4.45Å; V646-F827 HydrophobicContact CG2-CE2 3.44Å; V646-F827 VanDerWaalsContact CG2-CE2 3.44Å; V646-F827 HydrophobicContact CG2-CG 4.02Å; V646-F827 HydrophobicContact CG2-CZ 3.94Å
647	A	73.5	Confident	77.2	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-33.4	177.1	0	0	0	0	0	112.5	I635 L638 Y643 P644 E645 H649 F650 V651 L660	I635-A647 HydrophobicContact CG2-CB 4.27Å; L638-A647 HydrophobicContact CB-CB 4.13Å; L638-A647 HydrophobicContact CD1-CB 4.1Å; Y643-A647 PolarHBondContact O-N 2.63Å; P644-A647 WeakPolarHBondContact O-CA 3.46Å; P644-A647 WeakPolarHBondContact O-CB 3.33Å; P644-A647 PolarHBondContact O-N 3.34Å; P644-A647 VanDerWaalsContact O-N 3.12Å; E645-A647 PolarHBondContact O-N 2.92Å; A647-H649 PolarHBondContact O-N 3.34Å; A647-F650 PolarHBondContact O-N 3.24Å; A647-V651 PolarHBondContact O-N 3.48Å; A647-L660 HydrophobicContact CB-CD1 4.06Å; A647-L660 HydrophobicContact CB-CD2 4.11Å
648	L	74.9	Confident	77.6	Confident	16 Å²	16	62.3 Å²	62.3	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-57.8	-32.4	179.9	-165.7	70.5	0	0	0	113	P644 E645 V646 F650 R657 L660 A661 I669	P644-L648 PolarHBondContact O-N 3.48Å; E645-L648 VanDerWaalsContact O-CB 3.3Å; E645-L648 WeakPolarHBondContact O-CB 3.09Å; E645-L648 PolarHBondContact O-N 3.39Å; V646-L648 VanDerWaalsContact C-N 3.31Å; V646-L648 PolarHBondContact O-N 3.06Å; L648-F650 VanDerWaalsContact C-N 3.33Å; L648-F650 PolarHBondContact O-N 3.07Å; L648-R657 HydrophobicContact CD1-CG 3.85Å; L648-R657 PolarHBondContact O-NH1 3.48Å; L648-L660 HydrophobicContact CD1-CB 3.96Å; L648-A661 HydrophobicContact CD1-CB 4.24Å; L648-I669 HydrophobicContact CD1-CG2 4.34Å; L648-I669 HydrophobicContact CD2-CD1 3.53Å; L648-I669 HydrophobicContact CD2-CG2 4.24Å
649	H	74.1	Confident	77.8	Confident	124 Å²	124	65 Å²	65	57%	0.574	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.2	176.7	-73.9	-73	0	0	0	114	V624 V646 A647	V624-H649 HydrophobicContact CG1-CB 4.46Å; V646-H649 PolarHBondContact O-N 2.95Å; A647-H649 PolarHBondContact O-N 3.34Å
650	F	69.3	Low	78.1	Confident	46 Å²	46	61.9 Å²	61.9	20%	0.202	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-21.8	-179.8	-70.8	-74.4	0	0	0	113.1	F608 V624 L629 I635 L638 V646 A647 L648	F608-F650 HydrophobicContact CE2-CE2 4.48Å; F608-F650 HydrophobicContact CE2-CZ 4.13Å; F608-F650 HydrophobicContact CZ-CE2 4.37Å; F608-F650 HydrophobicContact CZ-CZ 4.42Å; V624-F650 HydrophobicContact CB-CE1 4.21Å; V624-F650 HydrophobicContact CB-CE2 4.4Å; V624-F650 HydrophobicContact CB-CZ 3.74Å; V624-F650 HydrophobicContact CG1-CD1 4.49Å; V624-F650 HydrophobicContact CG1-CE1 3.84Å; V624-F650 HydrophobicContact CG1-CE2 3.98Å; V624-F650 HydrophobicContact CG1-CZ 3.58Å; V624-F650 HydrophobicContact CG2-CE1 4.25Å; V624-F650 HydrophobicContact CG2-CE2 3.75Å; V624-F650 HydrophobicContact CG2-CZ 3.31Å; L629-F650 HydrophobicContact CB-CE1 4.02Å; L629-F650 HydrophobicContact CD1-CE1 3.8Å; L629-F650 HydrophobicContact CD1-CZ 3.96Å; I635-F650 HydrophobicContact CG1-CB 4.46Å; L638-F650 HydrophobicContact CD1-CD2 4.28Å; L638-F650 HydrophobicContact CD1-CE2 4.13Å; V646-F650 HydrophobicContact CG1-CE2 4.08Å; V646-F650 VanDerWaalsContact O-CD2 3.25Å; V646-F650 WeakPolarHBondContact O-CD2 3.42Å; A647-F650 PolarHBondContact O-N 3.24Å; L648-F650 VanDerWaalsContact C-N 3.33Å; L648-F650 PolarHBondContact O-N 3.07Å
651	V	72.3	Confident	78.3	Confident	10 Å²	10	53.1 Å²	53.1	6%	0.061	26%	0.255	C	S	.	.			trans	-90.7	117.3	-170.6	177.5	0	0	0	0	110.9	I635 A647 D653 T656 R657 L660	I635-V651 HydrophobicContact CD1-CG2 3.46Å; I635-V651 VanDerWaalsContact CD1-CG2 3.46Å; I635-V651 HydrophobicContact CG1-CG2 3.92Å; I635-V651 HydrophobicContact CG2-CG2 4.35Å; A647-V651 PolarHBondContact O-N 3.48Å; V651-D653 HydrophobicContact CG1-CB 4.32Å; V651-D653 WeakPolarHBondContact CG1-O 3.47Å; V651-T656 HydrophobicContact CG1-CG2 3.82Å; V651-T656 HydrophobicContact CG2-CG2 3.93Å; V651-R657 HydrophobicContact CG1-CB 3.98Å; V651-L660 HydrophobicContact CB-CD1 4.2Å; V651-L660 HydrophobicContact CG2-CD1 3.53Å
652	K	74.4	Confident	78.6	Confident	194 Å²	194	50.2 Å²	50.2	84%	0.843	24%	0.243	S	C	*	.			trans	-96.1	-16.8	169.4	-60.4	-171.1	177.9	-168.4	0	113.4	E654	K652-E654 PolarHBondContact O-N 2.88Å
653	D	81.9	Confident	78.8	Confident	83 Å²	83	53.4 Å²	53.4	44%	0.444	25%	0.252	S	S	.	.			trans	-77.8	117.3	178.4	171.7	55	0	0	0	109.7	V651 K655 T656 R657	V651-D653 HydrophobicContact CG1-CB 4.32Å; V651-D653 WeakPolarHBondContact CG1-O 3.47Å; D653-K655 PolarHBondContact O-N 3.27Å; D653-T656 PolarHBondContact O-N 2.84Å; D653-T656 WeakPolarHBondContact OD2-CB 3.44Å; D653-T656 PolarHBondContact OD2-N 2.82Å; D653-T656 VanDerWaalsContact OD2-N 3.08Å; D653-T656 PolarHBondContact OD2-OG1 3.31Å; D653-R657 WeakPolarHBondContact O-CB 3.38Å; D653-R657 PolarHBondContact O-N 2.94Å
654	E	83.2	Confident	78.6	Confident	72 Å²	72	50.7 Å²	50.7	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-33.2	-173.6	-65.9	-56.3	152.3	0	0	112.9	K652 R657 F658 A676 L677	K652-E654 PolarHBondContact O-N 2.88Å; E654-R657 PolarHBondContact O-N 2.78Å; E654-F658 VanDerWaalsContact O-CB 3.32Å; E654-F658 WeakPolarHBondContact O-CB 3.41Å; E654-F658 PolarHBondContact O-N 2.86Å; E654-A676 HydrophobicContact CG-CB 4.33Å; E654-L677 HydrophobicContact CB-CD1 4.48Å; E654-L677 HydrophobicContact CB-CD2 3.89Å; E654-L677 HydrophobicContact CB-CG 4.03Å
655	K	84.9	Confident	78.8	Confident	143 Å²	143	50.8 Å²	50.8	62%	0.622	25%	0.247	S	C	*	.	H	α-helix	trans	-68.7	-45.2	178.6	-171.9	173.3	-176	169.3	0	112.5	D653 R657 S659 L677	D653-K655 PolarHBondContact O-N 3.27Å; K655-R657 VanDerWaalsContact C-N 3.32Å; K655-S659 PolarHBondContact O-N 2.88Å; K655-L677 HydrophobicContact CB-CD2 4.33Å
656	T	83.1	Confident	79.2	Confident	29 Å²	29	49.2 Å²	49.2	18%	0.178	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-36.9	175.3	-52.9	0	0	0	0	110.6	V651 D653 S659 L660	V651-T656 HydrophobicContact CG1-CG2 3.82Å; V651-T656 HydrophobicContact CG2-CG2 3.93Å; D653-T656 PolarHBondContact O-N 2.84Å; D653-T656 WeakPolarHBondContact OD2-CB 3.44Å; D653-T656 PolarHBondContact OD2-N 2.82Å; D653-T656 VanDerWaalsContact OD2-N 3.08Å; D653-T656 PolarHBondContact OD2-OG1 3.31Å; T656-S659 PolarHBondContact O-N 2.9Å; T656-L660 HydrophobicContact CG2-CD1 4.14Å; T656-L660 WeakPolarHBondContact O-CB 3.43Å; T656-L660 WeakPolarHBondContact O-CG 3.26Å; T656-L660 PolarHBondContact O-N 2.89Å
657	R	84.3	Confident	79.6	Confident	59 Å²	59	49.3 Å²	49.3	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-45	177	-171.9	178.4	177.8	77.5	2.7	111.4	L648 V651 D653 E654 K655 L660 A661 I669	L648-R657 HydrophobicContact CD1-CG 3.85Å; L648-R657 PolarHBondContact O-NH1 3.48Å; V651-R657 HydrophobicContact CG1-CB 3.98Å; D653-R657 WeakPolarHBondContact O-CB 3.38Å; D653-R657 PolarHBondContact O-N 2.94Å; E654-R657 PolarHBondContact O-N 2.78Å; K655-R657 VanDerWaalsContact C-N 3.32Å; R657-L660 PolarHBondContact O-N 2.85Å; R657-A661 VanDerWaalsContact O-CB 3.28Å; R657-A661 WeakPolarHBondContact O-CB 3.43Å; R657-A661 PolarHBondContact O-N 2.84Å; R657-I669 HydrophobicContact CG-CG2 4.29Å
658	F	88.2	Confident	80.1	Confident	9 Å²	9	56.6 Å²	56.6	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-57.8	-50.2	174.4	178.1	-106.4	0	0	0	111.8	E654 L660 A661 L662 A670 A673 A674 L677 C682 K685 L686	E654-F658 VanDerWaalsContact O-CB 3.32Å; E654-F658 WeakPolarHBondContact O-CB 3.41Å; E654-F658 PolarHBondContact O-N 2.86Å; F658-L660 VanDerWaalsContact C-N 3.35Å; F658-L660 PolarHBondContact O-N 2.96Å; F658-A661 PolarHBondContact O-N 2.8Å; F658-L662 HydrophobicContact CD1-CD1 4.08Å; F658-L662 HydrophobicContact CE1-CD1 3.41Å; F658-L662 VanDerWaalsContact CE1-CD1 3.41Å; F658-L662 HydrophobicContact CE1-CG 4.18Å; F658-L662 HydrophobicContact CE2-CD1 4.18Å; F658-L662 HydrophobicContact CE2-CD2 4.22Å; F658-L662 HydrophobicContact CE2-CG 4.17Å; F658-L662 HydrophobicContact CZ-CD1 3.46Å; F658-L662 VanDerWaalsContact CZ-CD1 3.46Å; F658-L662 HydrophobicContact CZ-CD2 4.15Å; F658-L662 HydrophobicContact CZ-CG 3.95Å; F658-L662 WeakPolarHBondContact O-CG 3.08Å; F658-L662 PolarHBondContact O-N 3.34Å; F658-A670 HydrophobicContact CD2-CB 4.24Å; F658-A670 VanDerWaalsContact CD2-O 3.29Å; F658-A670 WeakPolarHBondContact CD2-O 3.32Å; F658-A670 HydrophobicContact CE2-CB 4.23Å; F658-A670 WeakPolarHBondContact CE2-O 3.49Å; F658-A673 HydrophobicContact CB-CB 3.9Å; F658-A673 HydrophobicContact CD2-CB 4.31Å; F658-A674 HydrophobicContact CD2-CB 4.14Å; F658-A674 HydrophobicContact CE2-CB 3.84Å; F658-L677 HydrophobicContact CB-CD1 3.99Å; F658-L677 HydrophobicContact CG-CD1 4.38Å; F658-C682 HydrophobicContact CD1-CB 4.23Å; F658-C682 HydrophobicContact CE1-CB 3.75Å; F658-C682 HydrophobicContact CE2-CB 4.38Å; F658-C682 HydrophobicContact CZ-CB 3.84Å; F658-C682 WeakPolarHBondContact CZ-O 3.47Å; F658-K685 HydrophobicContact CE1-CB 4.32Å; F658-K685 HydrophobicContact CZ-CB 4.33Å; F658-L686 HydrophobicContact CE2-CB 4.11Å; F658-L686 HydrophobicContact CE2-CD1 4.39Å; F658-L686 HydrophobicContact CZ-CB 4.09Å
659	S	85	Confident	80.6	Confident	55 Å²	55	57.3 Å²	57.3	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-60.9	-43.1	179.3	-166	0	0	0	0	112.4	K655 T656 L662 E663	K655-S659 PolarHBondContact O-N 2.88Å; T656-S659 PolarHBondContact O-N 2.9Å; S659-L662 PolarHBondContact O-N 2.88Å; S659-E663 WeakPolarHBondContact O-CG 3.49Å; S659-E663 PolarHBondContact O-N 2.82Å
660	L	82.6	Confident	81.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-41.2	177.2	-75	170.2	0	0	0	112	I635 Q639 P644 A647 L648 V651 T656 R657 F658 L662 E663 C664	I635-L660 HydrophobicContact CG2-CD1 4.2Å; Q639-L660 HydrophobicContact CG-CD2 3.58Å; P644-L660 HydrophobicContact CB-CD2 4.04Å; A647-L660 HydrophobicContact CB-CD1 4.06Å; A647-L660 HydrophobicContact CB-CD2 4.11Å; L648-L660 HydrophobicContact CD1-CB 3.96Å; V651-L660 HydrophobicContact CB-CD1 4.2Å; V651-L660 HydrophobicContact CG2-CD1 3.53Å; T656-L660 HydrophobicContact CG2-CD1 4.14Å; T656-L660 WeakPolarHBondContact O-CB 3.43Å; T656-L660 WeakPolarHBondContact O-CG 3.26Å; T656-L660 PolarHBondContact O-N 2.89Å; R657-L660 PolarHBondContact O-N 2.85Å; F658-L660 VanDerWaalsContact C-N 3.35Å; F658-L660 PolarHBondContact O-N 2.96Å; L660-L662 VanDerWaalsContact C-N 3.33Å; L660-L662 PolarHBondContact O-N 3.11Å; L660-E663 WeakPolarHBondContact O-CB 3.21Å; L660-E663 PolarHBondContact O-N 2.98Å; L660-C664 PolarHBondContact O-N 2.96Å; L660-C664 PolarHBondContact O-SG 3.4Å
661	A	84.2	Confident	82.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-40	178.5	0	0	0	0	0	111.5	L648 R657 F658 C664 G665 N666 I669 A670	L648-A661 HydrophobicContact CD1-CB 4.24Å; R657-A661 VanDerWaalsContact O-CB 3.28Å; R657-A661 WeakPolarHBondContact O-CB 3.43Å; R657-A661 PolarHBondContact O-N 2.84Å; F658-A661 PolarHBondContact O-N 2.8Å; A661-C664 PolarHBondContact O-N 2.87Å; A661-G665 PolarHBondContact O-N 2.79Å; A661-N666 PolarHBondContact O-N 3.46Å; A661-I669 HydrophobicContact CB-CB 4.26Å; A661-I669 HydrophobicContact CB-CG2 4.11Å; A661-A670 HydrophobicContact CB-CB 3.76Å
662	L	84.3	Confident	82.9	Confident	31 Å²	31	56 Å²	56	16%	0.162	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-42.6	171.6	-68	-177.5	0	0	0	112.3	F658 S659 L660 C664 G665 A670 K685 L686 V689	F658-L662 HydrophobicContact CD1-CD1 4.08Å; F658-L662 HydrophobicContact CE1-CD1 3.41Å; F658-L662 VanDerWaalsContact CE1-CD1 3.41Å; F658-L662 HydrophobicContact CE1-CG 4.18Å; F658-L662 HydrophobicContact CE2-CD1 4.18Å; F658-L662 HydrophobicContact CE2-CD2 4.22Å; F658-L662 HydrophobicContact CE2-CG 4.17Å; F658-L662 HydrophobicContact CZ-CD1 3.46Å; F658-L662 VanDerWaalsContact CZ-CD1 3.46Å; F658-L662 HydrophobicContact CZ-CD2 4.15Å; F658-L662 HydrophobicContact CZ-CG 3.95Å; F658-L662 WeakPolarHBondContact O-CG 3.08Å; F658-L662 PolarHBondContact O-N 3.34Å; S659-L662 PolarHBondContact O-N 2.88Å; L660-L662 VanDerWaalsContact C-N 3.33Å; L660-L662 PolarHBondContact O-N 3.11Å; L662-C664 VanDerWaalsContact C-N 3.3Å; L662-C664 PolarHBondContact O-N 2.91Å; L662-G665 PolarHBondContact O-N 2.9Å; L662-A670 HydrophobicContact CD2-CB 3.94Å; L662-A670 HydrophobicContact CG-CB 4.44Å; L662-K685 HydrophobicContact CD1-CB 3.96Å; L662-L686 HydrophobicContact CD2-CD1 3.9Å; L662-V689 HydrophobicContact CD2-CB 4.08Å; L662-V689 HydrophobicContact CD2-CG1 4.33Å; L662-V689 HydrophobicContact CD2-CG2 4.04Å
663	E	77.9	Confident	83.5	Confident	92 Å²	92	46.8 Å²	46.8	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-35.3	175.2	-76	173.6	-172.2	0	0	112.4	Q639 P644 S659 L660 G665	Q639-E663 PolarHBondContact NE2-OE2 3.37Å; P644-E663 HydrophobicContact CB-CB 4.45Å; S659-E663 WeakPolarHBondContact O-CG 3.49Å; S659-E663 PolarHBondContact O-N 2.82Å; L660-E663 WeakPolarHBondContact O-CB 3.21Å; L660-E663 PolarHBondContact O-N 2.98Å; E663-G665 VanDerWaalsContact C-N 3.31Å
664	C	72.3	Confident	83.8	Confident	22 Å²	22	42.9 Å²	42.9	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-78.3	-13.5	176.8	-60.4	0	0	0	0	113.2	P644 E645 L660 A661 L662 N666	P644-C664 VanDerWaalsContact C-SG 3.51Å; E645-C664 HydrophobicContact CG-CB 4.5Å; E645-C664 PolarHBondContact N-SG 2.85Å; L660-C664 PolarHBondContact O-N 2.96Å; L660-C664 PolarHBondContact O-SG 3.4Å; A661-C664 PolarHBondContact O-N 2.87Å; L662-C664 VanDerWaalsContact C-N 3.3Å; L662-C664 PolarHBondContact O-N 2.91Å; C664-N666 HydrophobicContact CB-CB 4.43Å; C664-N666 PolarHBondContact O-N 3.45Å
665	G	76.1	Confident	84.1	Confident	10 Å²	10	45 Å²	45	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	17	-169.5	0	0	0	0	0	113.8	A661 L662 E663 I667 Q693	A661-G665 PolarHBondContact O-N 2.79Å; L662-G665 PolarHBondContact O-N 2.9Å; E663-G665 VanDerWaalsContact C-N 3.31Å; G665-I667 PolarHBondContact O-N 2.76Å; G665-Q693 PolarHBondContact O-OE1 2.87Å
666	N	81.7	Confident	84.3	Confident	31 Å²	31	41.5 Å²	41.5	17%	0.166	22%	0.218	C	C	.	.			trans	-85.8	89.5	174.4	-170.2	-37.4	0	0	0	109.1	A661 C664 E668 I669 A670	A661-N666 PolarHBondContact O-N 3.46Å; C664-N666 HydrophobicContact CB-CB 4.43Å; C664-N666 PolarHBondContact O-N 3.45Å; N666-E668 VanDerWaalsContact C-N 3.32Å; N666-E668 PolarHBondContact O-N 2.84Å; N666-E668 PolarHBondContact OD1-N 2.95Å; N666-I669 WeakPolarHBondContact ND2-CD1 3.46Å; N666-I669 PolarHBondContact OD1-N 2.84Å; N666-A670 WeakPolarHBondContact O-CB 3.49Å; N666-A670 PolarHBondContact O-N 3.45Å
667	I	83.8	Confident	84.5	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-68.8	-30.7	-175.1	-55.3	-179	0	0	0	111.8	G665 A670 L671 L686 A690 Q693 N695 I698	G665-I667 PolarHBondContact O-N 2.76Å; I667-A670 CarbonylContact O-C 3.57Å; I667-A670 PolarHBondContact O-N 2.97Å; I667-L671 VanDerWaalsContact O-CB 3.29Å; I667-L671 WeakPolarHBondContact O-CB 3.48Å; I667-L671 PolarHBondContact O-N 2.83Å; I667-L686 HydrophobicContact CG2-CD1 3.88Å; I667-A690 HydrophobicContact CD1-CB 4.08Å; I667-Q693 HydrophobicContact CD1-CB 3.92Å; I667-Q693 HydrophobicContact CD1-CG 4.2Å; I667-Q693 VanDerWaalsContact CG1-OE1 3.26Å; I667-N695 HydrophobicContact CD1-CB 4.29Å; I667-I698 HydrophobicContact CB-CD1 4.39Å; I667-I698 HydrophobicContact CG2-CD1 3.39Å; I667-I698 HydrophobicContact CG2-CG2 4.08Å
668	E	84.3	Confident	84.7	Confident	152 Å²	152	44.9 Å²	44.9	71%	0.71	24%	0.239	S	C	*	.	H	α-helix	trans	-62.5	-50.8	-179.2	-66.2	174.8	-172.2	0	0	111	N666 A670 L671 E672	N666-E668 VanDerWaalsContact C-N 3.32Å; N666-E668 PolarHBondContact O-N 2.84Å; N666-E668 PolarHBondContact OD1-N 2.95Å; E668-A670 VanDerWaalsContact C-N 3.31Å; E668-A670 PolarHBondContact O-N 3.03Å; E668-L671 WeakPolarHBondContact O-CB 3.41Å; E668-L671 PolarHBondContact O-N 3.27Å; E668-E672 PolarHBondContact O-N 3.19Å
669	I	84.6	Confident	84.7	Confident	32 Å²	32	47.5 Å²	47.5	16%	0.164	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-35.6	176.8	-61.2	174.4	0	0	0	110.9	L648 R657 A661 N666 L671 E672 A673	L648-I669 HydrophobicContact CD1-CG2 4.34Å; L648-I669 HydrophobicContact CD2-CD1 3.53Å; L648-I669 HydrophobicContact CD2-CG2 4.24Å; R657-I669 HydrophobicContact CG-CG2 4.29Å; A661-I669 HydrophobicContact CB-CB 4.26Å; A661-I669 HydrophobicContact CB-CG2 4.11Å; N666-I669 WeakPolarHBondContact ND2-CD1 3.46Å; N666-I669 PolarHBondContact OD1-N 2.84Å; I669-L671 VanDerWaalsContact C-N 3.31Å; I669-L671 PolarHBondContact O-N 2.92Å; I669-E672 PolarHBondContact O-N 3.08Å; I669-A673 WeakPolarHBondContact O-CB 3.23Å; I669-A673 PolarHBondContact O-N 3.02Å
670	A	86.9	Confident	84.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-35.1	175.6	0	0	0	0	0	112	F658 A661 L662 N666 I667 E668 A674 L686	F658-A670 HydrophobicContact CD2-CB 4.24Å; F658-A670 VanDerWaalsContact CD2-O 3.29Å; F658-A670 WeakPolarHBondContact CD2-O 3.32Å; F658-A670 HydrophobicContact CE2-CB 4.23Å; F658-A670 WeakPolarHBondContact CE2-O 3.49Å; A661-A670 HydrophobicContact CB-CB 3.76Å; L662-A670 HydrophobicContact CD2-CB 3.94Å; L662-A670 HydrophobicContact CG-CB 4.44Å; N666-A670 WeakPolarHBondContact O-CB 3.49Å; N666-A670 PolarHBondContact O-N 3.45Å; I667-A670 CarbonylContact O-C 3.57Å; I667-A670 PolarHBondContact O-N 2.97Å; E668-A670 VanDerWaalsContact C-N 3.31Å; E668-A670 PolarHBondContact O-N 3.03Å; A670-A674 VanDerWaalsContact O-CB 3.23Å; A670-A674 WeakPolarHBondContact O-CB 3.29Å; A670-A674 PolarHBondContact O-N 2.98Å; A670-L686 HydrophobicContact CB-CD1 3.68Å
671	L	88.4	Confident	85.1	Confident	28 Å²	28	55.1 Å²	55.1	15%	0.147	28%	0.284	C	S	.	.	H	α-helix	trans	-68.6	-44.8	176.4	178.3	65.3	0	0	0	111.3	I667 E668 I669 A674 K675 W683 L686 I698 M701	I667-L671 VanDerWaalsContact O-CB 3.29Å; I667-L671 WeakPolarHBondContact O-CB 3.48Å; I667-L671 PolarHBondContact O-N 2.83Å; E668-L671 WeakPolarHBondContact O-CB 3.41Å; E668-L671 PolarHBondContact O-N 3.27Å; I669-L671 VanDerWaalsContact C-N 3.31Å; I669-L671 PolarHBondContact O-N 2.92Å; L671-A674 PolarHBondContact O-N 2.71Å; L671-K675 HydrophobicContact CG-CD 4.5Å; L671-K675 WeakPolarHBondContact O-CG 3.47Å; L671-K675 PolarHBondContact O-N 3.45Å; L671-W683 HydrophobicContact CD1-CH2 3.99Å; L671-W683 HydrophobicContact CD1-CZ3 3.7Å; L671-L686 HydrophobicContact CB-CD2 4.3Å; L671-L686 HydrophobicContact CD1-CD2 3.87Å; L671-I698 HydrophobicContact CD1-CG2 4.49Å; L671-I698 HydrophobicContact CD2-CD1 4.22Å; L671-I698 HydrophobicContact CD2-CG1 4.45Å; L671-M701 HydrophobicContact CD1-SD 3.91Å
672	E	87.9	Confident	85.3	Confident	125 Å²	125	55.7 Å²	55.7	58%	0.584	29%	0.288	S	S	*	.	H	α-helix	trans	-59.1	-47.8	174.6	-70.7	179.6	171.9	0	0	111.4	E668 I669 A674 K675 A676	E668-E672 PolarHBondContact O-N 3.19Å; I669-E672 PolarHBondContact O-N 3.08Å; E672-A674 PolarHBondContact O-N 3.43Å; E672-K675 PolarHBondContact O-N 3.07Å; E672-A676 PolarHBondContact O-N 2.78Å
673	A	87.3	Confident	85.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-38.5	177.9	0	0	0	0	0	112.1	F658 I669 A676 L677	F658-A673 HydrophobicContact CB-CB 3.9Å; F658-A673 HydrophobicContact CD2-CB 4.31Å; I669-A673 WeakPolarHBondContact O-CB 3.23Å; I669-A673 PolarHBondContact O-N 3.02Å; A673-A676 PolarHBondContact O-N 2.76Å; A673-L677 WeakPolarHBondContact O-CB 3.43Å; A673-L677 VanDerWaalsContact O-CG 3.24Å; A673-L677 WeakPolarHBondContact O-CG 3.41Å; A673-L677 PolarHBondContact O-N 3.2Å
674	A	89.1	Confident	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-40.3	175.6	0	0	0	0	0	112.3	F658 A670 L671 E672 A676 L677 D678 W683 L686	F658-A674 HydrophobicContact CD2-CB 4.14Å; F658-A674 HydrophobicContact CE2-CB 3.84Å; A670-A674 VanDerWaalsContact O-CB 3.23Å; A670-A674 WeakPolarHBondContact O-CB 3.29Å; A670-A674 PolarHBondContact O-N 2.98Å; L671-A674 PolarHBondContact O-N 2.71Å; E672-A674 PolarHBondContact O-N 3.43Å; A674-A676 VanDerWaalsContact C-N 3.33Å; A674-A676 PolarHBondContact O-N 3.07Å; A674-L677 PolarHBondContact O-N 3.44Å; A674-D678 PolarHBondContact O-N 3.01Å; A674-W683 HydrophobicContact CB-CD2 4.42Å; A674-W683 HydrophobicContact CB-CE3 4.3Å; A674-W683 HydrophobicContact CB-CH2 4.27Å; A674-W683 HydrophobicContact CB-CZ2 4.38Å; A674-W683 HydrophobicContact CB-CZ3 4.23Å; A674-L686 HydrophobicContact CB-CD2 3.91Å
675	K	88.9	Confident	87	Confident	116 Å²	116	58.8 Å²	58.8	50%	0.504	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-40.5	173.7	-74.9	176.9	-179.7	178.3	0	111.8	L671 E672 W683	L671-K675 HydrophobicContact CG-CD 4.5Å; L671-K675 WeakPolarHBondContact O-CG 3.47Å; L671-K675 PolarHBondContact O-N 3.45Å; E672-K675 PolarHBondContact O-N 3.07Å; K675-W683 HydrophobicContact CG-CH2 3.7Å; K675-W683 HydrophobicContact CG-CZ2 4.09Å
676	A	88.6	Confident	87.7	Confident	70 Å²	70	58.3 Å²	58.3	58%	0.579	29%	0.293	S	S	*	.	H	α-helix	trans	-69.6	-34	178	0	0	0	0	0	113	E654 E672 A673 A674	E654-A676 HydrophobicContact CG-CB 4.33Å; E672-A676 PolarHBondContact O-N 2.78Å; A673-A676 PolarHBondContact O-N 2.76Å; A674-A676 VanDerWaalsContact C-N 3.33Å; A674-A676 PolarHBondContact O-N 3.07Å
677	L	88.2	Confident	88	Confident	59 Å²	59	56.9 Å²	56.9	31%	0.309	29%	0.285	S	S	.	.	H	α-helix	trans	-82.2	-33.4	-179.5	-70.5	168.2	0	0	0	113.8	E654 K655 F658 A673 A674 D679	E654-L677 HydrophobicContact CB-CD1 4.48Å; E654-L677 HydrophobicContact CB-CD2 3.89Å; E654-L677 HydrophobicContact CB-CG 4.03Å; K655-L677 HydrophobicContact CB-CD2 4.33Å; F658-L677 HydrophobicContact CB-CD1 3.99Å; F658-L677 HydrophobicContact CG-CD1 4.38Å; A673-L677 WeakPolarHBondContact O-CB 3.43Å; A673-L677 VanDerWaalsContact O-CG 3.24Å; A673-L677 WeakPolarHBondContact O-CG 3.41Å; A673-L677 PolarHBondContact O-N 3.2Å; A674-L677 PolarHBondContact O-N 3.44Å; L677-D679 PolarHBondContact O-N 3.19Å; L677-D679 VanDerWaalsContact O-N 3.11Å
678	D	87.6	Confident	88.2	Confident	100 Å²	100	62.1 Å²	62.1	54%	0.535	31%	0.309	S	S	.	.			trans	43.2	39	-175	-156.6	30.8	0	0	0	115.4	A674 W683	A674-D678 PolarHBondContact O-N 3.01Å; D678-W683 PolarHBondContact OD1-NE1 3.49Å
679	D	88.4	Confident	88.3	Confident	64 Å²	64	56.6 Å²	56.6	34%	0.342	29%	0.286	S	S	.	.			trans	-97.5	132.6	175.7	-179.3	12.2	0	0	0	110.8	L677 N681 C682 W683	L677-D679 PolarHBondContact O-N 3.19Å; L677-D679 VanDerWaalsContact O-N 3.11Å; D679-N681 PolarHBondContact O-N 3Å; D679-N681 PolarHBondContact OD1-N 3.42Å; D679-C682 HydrophobicContact CB-CB 4.42Å; D679-C682 WeakPolarHBondContact O-CB 3.41Å; D679-C682 PolarHBondContact O-N 3.02Å; D679-W683 PolarHBondContact O-N 3.2Å
680	K	88.3	Confident	88.3	Confident	121 Å²	121	55.1 Å²	55.1	53%	0.526	28%	0.278	S	S	.	.	H	α-helix	trans	-53.4	-40.7	178	-173	-179.1	177.4	-173.9	0	112.3	C682 W683 E684 T706	K680-C682 VanDerWaalsContact C-N 3.29Å; K680-C682 PolarHBondContact O-N 3.1Å; K680-W683 PolarHBondContact O-N 3.47Å; K680-E684 VanDerWaalsContact CE-OE1 3.26Å; K680-E684 WeakPolarHBondContact CE-OE1 3.35Å; K680-E684 WeakPolarHBondContact O-CG 3.4Å; K680-E684 PolarHBondContact O-N 3.34Å; K680-T706 HydrophobicContact CG-CG2 4.24Å
681	N	88.1	Confident	88.2	Confident	94 Å²	94	58.9 Å²	58.9	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-30.8	-179.9	-63.6	-49.6	0	0	0	112.7	D679 K685	D679-N681 PolarHBondContact O-N 3Å; D679-N681 PolarHBondContact OD1-N 3.42Å; N681-K685 WeakPolarHBondContact O-CG 3.47Å; N681-K685 PolarHBondContact O-N 3.17Å
682	C	89.5	Confident	87.9	Confident	13 Å²	13	62.4 Å²	62.4	9%	0.088	32%	0.316	C	S	.	.	H	α-helix	trans	-71.6	-44.2	177.3	-64.4	0	0	0	0	110.1	F658 D679 K680 E684 K685 L686	F658-C682 HydrophobicContact CD1-CB 4.23Å; F658-C682 HydrophobicContact CE1-CB 3.75Å; F658-C682 HydrophobicContact CE2-CB 4.38Å; F658-C682 HydrophobicContact CZ-CB 3.84Å; F658-C682 WeakPolarHBondContact CZ-O 3.47Å; D679-C682 HydrophobicContact CB-CB 4.42Å; D679-C682 WeakPolarHBondContact O-CB 3.41Å; D679-C682 PolarHBondContact O-N 3.02Å; K680-C682 VanDerWaalsContact C-N 3.29Å; K680-C682 PolarHBondContact O-N 3.1Å; C682-E684 VanDerWaalsContact C-N 3.34Å; C682-E684 PolarHBondContact O-N 2.83Å; C682-K685 PolarHBondContact O-N 3.27Å; C682-L686 WeakPolarHBondContact O-CB 3.21Å; C682-L686 PolarHBondContact O-N 3.47Å
683	W	90.9	Very high	87.4	Confident	7 Å²	7	57.6 Å²	57.6	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-38.8	175.7	-69.5	115.3	0	0	0	113.3	L671 A674 K675 D678 D679 K680 L686 G687 M701 C702 R705 T706	L671-W683 HydrophobicContact CD1-CH2 3.99Å; L671-W683 HydrophobicContact CD1-CZ3 3.7Å; A674-W683 HydrophobicContact CB-CD2 4.42Å; A674-W683 HydrophobicContact CB-CE3 4.3Å; A674-W683 HydrophobicContact CB-CH2 4.27Å; A674-W683 HydrophobicContact CB-CZ2 4.38Å; A674-W683 HydrophobicContact CB-CZ3 4.23Å; K675-W683 HydrophobicContact CG-CH2 3.7Å; K675-W683 HydrophobicContact CG-CZ2 4.09Å; D678-W683 PolarHBondContact OD1-NE1 3.49Å; D679-W683 PolarHBondContact O-N 3.2Å; K680-W683 PolarHBondContact O-N 3.47Å; W683-L686 HydrophobicContact CE3-CD2 4.08Å; W683-L686 HydrophobicContact CZ3-CD2 3.99Å; W683-G687 PolarHBondContact O-N 3.3Å; W683-M701 HydrophobicContact CH2-SD 4.37Å; W683-M701 HydrophobicContact CZ3-CG 4.44Å; W683-M701 HydrophobicContact CZ3-SD 4.31Å; W683-C702 WeakPolarHBondContact O-CB 3.35Å; W683-C702 PolarHBondContact O-SG 3.06Å; W683-R705 HydrophobicContact CD2-CB 4.25Å; W683-R705 HydrophobicContact CD2-CG 4.43Å; W683-R705 HydrophobicContact CG-CB 4.24Å; W683-R705 HydrophobicContact CZ2-CG 4.47Å; W683-T706 HydrophobicContact CB-CG2 3.61Å
684	E	89.4	Confident	87	Confident	80 Å²	80	58 Å²	58	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-47.9	175	-72.7	178.8	179.7	0	0	111.8	K680 C682 G687 E688 T706	K680-E684 VanDerWaalsContact CE-OE1 3.26Å; K680-E684 WeakPolarHBondContact CE-OE1 3.35Å; K680-E684 WeakPolarHBondContact O-CG 3.4Å; K680-E684 PolarHBondContact O-N 3.34Å; C682-E684 VanDerWaalsContact C-N 3.34Å; C682-E684 PolarHBondContact O-N 2.83Å; E684-G687 PolarHBondContact O-N 3.21Å; E684-E688 PolarHBondContact O-N 3.47Å; E684-T706 HydrophobicContact CG-CG2 3.7Å
685	K	88.4	Confident	86.8	Confident	123 Å²	123	59 Å²	59	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-40.9	178.1	-72.5	179.7	178.8	-175.6	0	112.9	F658 L662 N681 C682 G687 E688 V689	F658-K685 HydrophobicContact CE1-CB 4.32Å; F658-K685 HydrophobicContact CZ-CB 4.33Å; L662-K685 HydrophobicContact CD1-CB 3.96Å; N681-K685 WeakPolarHBondContact O-CG 3.47Å; N681-K685 PolarHBondContact O-N 3.17Å; C682-K685 PolarHBondContact O-N 3.27Å; K685-G687 VanDerWaalsContact C-N 3.32Å; K685-E688 PolarHBondContact O-N 3.28Å; K685-V689 WeakPolarHBondContact O-CG2 3.36Å; K685-V689 PolarHBondContact O-N 2.86Å; K685-V689 VanDerWaalsContact O-N 3.13Å
686	L	90.9	Very high	86.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-43	175.5	-176.7	63.4	0	0	0	110.7	F658 L662 I667 A670 L671 A674 C682 W683 E688 V689 A690 I698	F658-L686 HydrophobicContact CE2-CB 4.11Å; F658-L686 HydrophobicContact CE2-CD1 4.39Å; F658-L686 HydrophobicContact CZ-CB 4.09Å; L662-L686 HydrophobicContact CD2-CD1 3.9Å; I667-L686 HydrophobicContact CG2-CD1 3.88Å; A670-L686 HydrophobicContact CB-CD1 3.68Å; L671-L686 HydrophobicContact CB-CD2 4.3Å; L671-L686 HydrophobicContact CD1-CD2 3.87Å; A674-L686 HydrophobicContact CB-CD2 3.91Å; C682-L686 WeakPolarHBondContact O-CB 3.21Å; C682-L686 PolarHBondContact O-N 3.47Å; W683-L686 HydrophobicContact CE3-CD2 4.08Å; W683-L686 HydrophobicContact CZ3-CD2 3.99Å; L686-E688 PolarHBondContact O-N 2.77Å; L686-V689 PolarHBondContact O-N 3.38Å; L686-A690 WeakPolarHBondContact O-CB 3.39Å; L686-A690 PolarHBondContact O-N 2.8Å; L686-I698 HydrophobicContact CD2-CG2 4.16Å; L686-I698 HydrophobicContact CG-CG2 4.13Å
687	G	89	Confident	86.6	Confident	1 Å²	1	55 Å²	55	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-41	176.1	0	0	0	0	0	113.1	W683 E684 K685 L691	W683-G687 PolarHBondContact O-N 3.3Å; E684-G687 PolarHBondContact O-N 3.21Å; K685-G687 VanDerWaalsContact C-N 3.32Å; G687-L691 VanDerWaalsContact O-CB 3.24Å; G687-L691 WeakPolarHBondContact O-CB 3.42Å; G687-L691 PolarHBondContact O-N 2.91Å
688	E	87.7	Confident	86.5	Confident	120 Å²	120	53.2 Å²	53.2	56%	0.561	27%	0.265	S	S	*	.	H	α-helix	trans	-63.7	-46.9	176.3	-71.7	178.7	175.3	0	0	112.4	E684 K685 L686 L691 L692	E684-E688 PolarHBondContact O-N 3.47Å; K685-E688 PolarHBondContact O-N 3.28Å; L686-E688 PolarHBondContact O-N 2.77Å; E688-L691 PolarHBondContact O-N 3.38Å; E688-L692 WeakPolarHBondContact O-CG 3.15Å; E688-L692 PolarHBondContact O-N 3.28Å
689	V	85.2	Confident	86.6	Confident	36 Å²	36	48.5 Å²	48.5	22%	0.218	24%	0.24	C	C	.	.	H	α-helix	trans	-68.9	-41	179.7	176.3	0	0	0	0	111.4	L662 K685 L686 L691 L692 Q693	L662-V689 HydrophobicContact CD2-CB 4.08Å; L662-V689 HydrophobicContact CD2-CG1 4.33Å; L662-V689 HydrophobicContact CD2-CG2 4.04Å; K685-V689 WeakPolarHBondContact O-CG2 3.36Å; K685-V689 PolarHBondContact O-N 2.86Å; K685-V689 VanDerWaalsContact O-N 3.13Å; L686-V689 PolarHBondContact O-N 3.38Å; V689-L691 VanDerWaalsContact C-N 3.31Å; V689-L691 PolarHBondContact O-N 2.98Å; V689-L692 WeakPolarHBondContact O-CB 3.2Å; V689-L692 PolarHBondContact O-N 3.3Å; V689-Q693 PolarHBondContact O-N 3.1Å
690	A	86.4	Confident	86.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-38	176	0	0	0	0	0	112.2	I667 L686 Q693 G694 N695 I698 V699	I667-A690 HydrophobicContact CD1-CB 4.08Å; L686-A690 WeakPolarHBondContact O-CB 3.39Å; L686-A690 PolarHBondContact O-N 2.8Å; A690-Q693 PolarHBondContact O-N 3.31Å; A690-G694 PolarHBondContact O-N 3.16Å; A690-N695 PolarHBondContact O-N 2.86Å; A690-I698 HydrophobicContact CB-CB 4.18Å; A690-I698 HydrophobicContact CB-CG2 3.95Å; A690-V699 HydrophobicContact CB-CG2 3.73Å
691	L	84.8	Confident	86.5	Confident	80 Å²	80	44.2 Å²	44.2	42%	0.419	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-41.3	174.5	-176	65.3	0	0	0	111.7	G687 E688 V689 Q693 G694 V699	G687-L691 VanDerWaalsContact O-CB 3.24Å; G687-L691 WeakPolarHBondContact O-CB 3.42Å; G687-L691 PolarHBondContact O-N 2.91Å; E688-L691 PolarHBondContact O-N 3.38Å; V689-L691 VanDerWaalsContact C-N 3.31Å; V689-L691 PolarHBondContact O-N 2.98Å; L691-Q693 VanDerWaalsContact C-N 3.28Å; L691-Q693 PolarHBondContact O-N 2.57Å; L691-G694 PolarHBondContact O-N 3.41Å; L691-V699 HydrophobicContact CB-CG2 3.83Å; L691-V699 HydrophobicContact CD1-CG2 4.45Å; L691-V699 VanDerWaalsContact N-CG2 3.34Å
692	L	80.8	Confident	86.6	Confident	101 Å²	101	39.8 Å²	39.8	53%	0.529	20%	0.197	S	C	.	.	H	α-helix	trans	-62.1	-35	175.8	-74.3	169.2	0	0	0	112.6	E688 V689 L820	E688-L692 WeakPolarHBondContact O-CG 3.15Å; E688-L692 PolarHBondContact O-N 3.28Å; V689-L692 WeakPolarHBondContact O-CB 3.2Å; V689-L692 PolarHBondContact O-N 3.3Å; L692-L820 WeakPolarHBondContact O-CD1 3.26Å
693	Q	77.2	Confident	86.7	Confident	24 Å²	24	40.5 Å²	40.5	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-80.9	-18.9	178.5	-169.3	166.9	-17.2	0	0	113.4	G665 I667 V689 A690 L691 L820 V822	G665-Q693 PolarHBondContact O-OE1 2.87Å; I667-Q693 HydrophobicContact CD1-CB 3.92Å; I667-Q693 HydrophobicContact CD1-CG 4.2Å; I667-Q693 VanDerWaalsContact CG1-OE1 3.26Å; V689-Q693 PolarHBondContact O-N 3.1Å; A690-Q693 PolarHBondContact O-N 3.31Å; L691-Q693 VanDerWaalsContact C-N 3.28Å; L691-Q693 PolarHBondContact O-N 2.57Å; Q693-L820 PolarHBondContact O-N 2.73Å; Q693-V822 VanDerWaalsContact NE2-CG2 3.29Å
694	G	79.6	Confident	86.5	Confident	9 Å²	9	44.6 Å²	44.6	9%	0.093	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	12.5	-176.9	0	0	0	0	0	114.8	A690 L691 H696	A690-G694 PolarHBondContact O-N 3.16Å; L691-G694 PolarHBondContact O-N 3.41Å; G694-H696 PolarHBondContact O-N 2.99Å
695	N	84.4	Confident	86.4	Confident	20 Å²	20	47.9 Å²	47.9	11%	0.107	23%	0.226	C	C	.	.			trans	-85.8	84.4	176.5	-170	-33.5	0	0	0	110.3	I667 A690 Q697 I698 V699 N816 L819	I667-N695 HydrophobicContact CD1-CB 4.29Å; A690-N695 PolarHBondContact O-N 2.86Å; N695-Q697 VanDerWaalsContact C-N 3.33Å; N695-Q697 PolarHBondContact O-N 3.27Å; N695-I698 WeakPolarHBondContact ND2-CD1 3.41Å; N695-I698 PolarHBondContact OD1-N 3Å; N695-V699 VanDerWaalsContact O-CG2 3.29Å; N695-V699 WeakPolarHBondContact O-CG2 3.32Å; N695-V699 PolarHBondContact O-N 3.42Å; N695-N816 PolarHBondContact OD1-OD1 3.21Å; N695-L819 HydrophobicContact CB-CD2 3.85Å
696	H	86.3	Confident	86.4	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-74.5	-21.8	-174.7	67.4	-102.6	0	0	0	113.6	G694 V699 E700 L715 T815 N816	G694-H696 PolarHBondContact O-N 2.99Å; H696-V699 WeakPolarHBondContact O-CB 3.43Å; H696-V699 PolarHBondContact O-N 2.97Å; H696-E700 PolarHBondContact O-N 3.19Å; H696-L715 HydrophobicContact CB-CD1 4.22Å; H696-T815 PolarHBondContact CE1-O 3Å; H696-N816 VanDerWaalsContact CE1-CA 3.46Å; H696-N816 WeakPolarHBondContact CE1-CA 3.4Å; H696-N816 PolarHBondContact N-OD1 3.47Å
697	Q	87.1	Confident	86.2	Confident	95 Å²	95	49.4 Å²	49.4	44%	0.444	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-43.6	177	-69.4	175.5	-14	0	0	111.4	N695 V699 E700 M701 D814 N816	N695-Q697 VanDerWaalsContact C-N 3.33Å; N695-Q697 PolarHBondContact O-N 3.27Å; Q697-V699 VanDerWaalsContact C-N 3.33Å; Q697-E700 WeakPolarHBondContact O-CB 3.37Å; Q697-E700 PolarHBondContact O-N 2.89Å; Q697-M701 PolarHBondContact O-N 3.48Å; Q697-D814 PolarHBondContact NE2-O 3.34Å; Q697-N816 WeakPolarHBondContact CG-OD1 3.34Å; Q697-N816 PolarHBondContact N-OD1 2.99Å; Q697-N816 PolarHBondContact OE1-ND2 2.91Å
698	I	87.3	Confident	86.1	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.108	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-36.1	175.5	-65.6	179.2	0	0	0	110.5	I667 L671 L686 A690 N695 E700 M701 C702	I667-I698 HydrophobicContact CB-CD1 4.39Å; I667-I698 HydrophobicContact CG2-CD1 3.39Å; I667-I698 HydrophobicContact CG2-CG2 4.08Å; L671-I698 HydrophobicContact CD1-CG2 4.49Å; L671-I698 HydrophobicContact CD2-CD1 4.22Å; L671-I698 HydrophobicContact CD2-CG1 4.45Å; L686-I698 HydrophobicContact CD2-CG2 4.16Å; L686-I698 HydrophobicContact CG-CG2 4.13Å; A690-I698 HydrophobicContact CB-CB 4.18Å; A690-I698 HydrophobicContact CB-CG2 3.95Å; N695-I698 WeakPolarHBondContact ND2-CD1 3.41Å; N695-I698 PolarHBondContact OD1-N 3Å; I698-E700 VanDerWaalsContact C-N 3.34Å; I698-E700 PolarHBondContact O-N 3.5Å; I698-M701 PolarHBondContact O-N 3.3Å; I698-C702 PolarHBondContact O-N 3.04Å; I698-C702 PolarHBondContact O-SG 2.84Å
699	V	89	Confident	86	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-42.3	173.5	176.4	0	0	0	0	111.6	A690 L691 N695 H696 Q697 M701 C702 Y703 L715	A690-V699 HydrophobicContact CB-CG2 3.73Å; L691-V699 HydrophobicContact CB-CG2 3.83Å; L691-V699 HydrophobicContact CD1-CG2 4.45Å; L691-V699 VanDerWaalsContact N-CG2 3.34Å; N695-V699 VanDerWaalsContact O-CG2 3.29Å; N695-V699 WeakPolarHBondContact O-CG2 3.32Å; N695-V699 PolarHBondContact O-N 3.42Å; H696-V699 WeakPolarHBondContact O-CB 3.43Å; H696-V699 PolarHBondContact O-N 2.97Å; Q697-V699 VanDerWaalsContact C-N 3.33Å; V699-M701 PolarHBondContact O-N 3.06Å; V699-C702 PolarHBondContact O-N 3.49Å; V699-Y703 HydrophobicContact CG1-CD2 3.68Å; V699-Y703 HydrophobicContact CG1-CE1 4.31Å; V699-Y703 HydrophobicContact CG1-CE2 3.23Å; V699-Y703 HydrophobicContact CG1-CG 4.38Å; V699-Y703 PolarHBondContact O-N 3.41Å; V699-L715 HydrophobicContact CG1-CD2 4.24Å
700	E	88.4	Confident	86	Confident	31 Å²	31	50.6 Å²	50.6	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-50.2	175.2	-168.9	-174	159.7	0	0	110.4	H696 Q697 I698 C702 Y703 Q704 L712 L715 Y716 K724	H696-E700 PolarHBondContact O-N 3.19Å; Q697-E700 WeakPolarHBondContact O-CB 3.37Å; Q697-E700 PolarHBondContact O-N 2.89Å; I698-E700 VanDerWaalsContact C-N 3.34Å; I698-E700 PolarHBondContact O-N 3.5Å; E700-C702 PolarHBondContact O-N 3.47Å; E700-Y703 PolarHBondContact O-N 2.85Å; E700-Q704 VanDerWaalsContact O-CG 3.3Å; E700-Q704 WeakPolarHBondContact O-CG 3.45Å; E700-Q704 PolarHBondContact O-N 3.21Å; E700-Q704 PolarHBondContact OE1-NE2 3.04Å; E700-Q704 VanDerWaalsContact OE1-NE2 3.15Å; E700-L712 HydrophobicContact CG-CD1 3.8Å; E700-L715 HydrophobicContact CB-CD2 4.14Å; E700-Y716 HydrophobicContact CG-CE1 4.1Å; E700-Y716 PolarHBondContact OE1-OH 2.87Å; E700-Y716 VanDerWaalsContact OE1-OH 3.06Å; E700-K724 VanDerWaalsContact CD-NZ 3.3Å; E700-K724 IonicContact OE1-NZ 2.93Å; E700-K724 PolarHBondContact OE1-NZ 2.97Å; E700-K724 IonicContact OE2-NZ 3.95Å; E700-K724 PolarHBondContact OE2-NZ 3.2Å
701	M	86.9	Confident	86.1	Confident	64 Å²	64	55 Å²	55	32%	0.315	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-45.5	176.9	-178.1	-179.9	-106.5	0	0	112.1	L671 W683 Q697 I698 V699 Y703 Q704 R705	L671-M701 HydrophobicContact CD1-SD 3.91Å; W683-M701 HydrophobicContact CH2-SD 4.37Å; W683-M701 HydrophobicContact CZ3-CG 4.44Å; W683-M701 HydrophobicContact CZ3-SD 4.31Å; Q697-M701 PolarHBondContact O-N 3.48Å; I698-M701 PolarHBondContact O-N 3.3Å; V699-M701 PolarHBondContact O-N 3.06Å; M701-Y703 PolarHBondContact O-N 3.13Å; M701-Q704 PolarHBondContact O-N 2.77Å; M701-R705 WeakPolarHBondContact O-CG 3.26Å; M701-R705 PolarHBondContact O-N 3.07Å
702	C	89.6	Confident	86.2	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-43.4	177.5	-69.1	0	0	0	0	111.7	W683 I698 V699 E700 R705 T706	W683-C702 WeakPolarHBondContact O-CB 3.35Å; W683-C702 PolarHBondContact O-SG 3.06Å; I698-C702 PolarHBondContact O-N 3.04Å; I698-C702 PolarHBondContact O-SG 2.84Å; V699-C702 PolarHBondContact O-N 3.49Å; E700-C702 PolarHBondContact O-N 3.47Å; C702-R705 PolarHBondContact O-N 3.13Å; C702-T706 WeakPolarHBondContact O-CB 3.38Å; C702-T706 VanDerWaalsContact O-CG2 3.23Å; C702-T706 WeakPolarHBondContact O-CG2 3.41Å; C702-T706 PolarHBondContact O-N 3.16Å; C702-T706 PolarHBondContact O-OG1 2.79Å
703	Y	90.4	Very high	86.5	Confident	28 Å²	28	46.7 Å²	46.7	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-70.3	-34.5	179.1	-69.5	-19.6	0	0	0	113.2	V699 E700 M701 T706 K707 N708 K711	V699-Y703 HydrophobicContact CG1-CD2 3.68Å; V699-Y703 HydrophobicContact CG1-CE1 4.31Å; V699-Y703 HydrophobicContact CG1-CE2 3.23Å; V699-Y703 HydrophobicContact CG1-CG 4.38Å; V699-Y703 PolarHBondContact O-N 3.41Å; E700-Y703 PolarHBondContact O-N 2.85Å; M701-Y703 PolarHBondContact O-N 3.13Å; Y703-T706 WeakPolarHBondContact CA-OG1 3.46Å; Y703-T706 PolarHBondContact O-OG1 3.28Å; Y703-K707 PolarHBondContact O-N 3.14Å; Y703-N708 HydrophobicContact CD1-CB 4.4Å; Y703-N708 PolarHBondContact O-N 3.07Å; Y703-K711 HydrophobicContact CD1-CB 4.46Å; Y703-K711 HydrophobicContact CD1-CD 4.35Å; Y703-K711 HydrophobicContact CD2-CB 3.83Å; Y703-K711 HydrophobicContact CE1-CB 4.29Å; Y703-K711 HydrophobicContact CE1-CD 3.65Å; Y703-K711 HydrophobicContact CE2-CB 3.61Å; Y703-K711 HydrophobicContact CE2-CD 4.24Å; Y703-K711 HydrophobicContact CG-CB 4.26Å
704	Q	88.2	Confident	87	Confident	94 Å²	94	50.9 Å²	50.9	44%	0.439	24%	0.235	S	C	.	.	H	α-helix	trans	-63.6	-49.1	172	-70.9	175.1	3.9	0	0	111.3	E700 M701 T706 K707 L712	E700-Q704 VanDerWaalsContact O-CG 3.3Å; E700-Q704 WeakPolarHBondContact O-CG 3.45Å; E700-Q704 PolarHBondContact O-N 3.21Å; E700-Q704 PolarHBondContact OE1-NE2 3.04Å; E700-Q704 VanDerWaalsContact OE1-NE2 3.15Å; M701-Q704 PolarHBondContact O-N 2.77Å; Q704-T706 PolarHBondContact O-N 3.34Å; Q704-K707 PolarHBondContact O-N 3.5Å; Q704-L712 HydrophobicContact CG-CD2 4.04Å
705	R	86.8	Confident	87.4	Confident	149 Å²	149	51 Å²	51	56%	0.562	23%	0.233	S	C	*	.	H	α-helix	trans	-63.9	-39.3	178.8	-71.6	-75.9	177.8	166.2	-4.2	112.8	W683 M701 C702 K707	W683-R705 HydrophobicContact CD2-CB 4.25Å; W683-R705 HydrophobicContact CD2-CG 4.43Å; W683-R705 HydrophobicContact CG-CB 4.24Å; W683-R705 HydrophobicContact CZ2-CG 4.47Å; M701-R705 WeakPolarHBondContact O-CG 3.26Å; M701-R705 PolarHBondContact O-N 3.07Å; C702-R705 PolarHBondContact O-N 3.13Å; R705-K707 VanDerWaalsContact C-N 3.28Å; R705-K707 PolarHBondContact O-N 3.11Å
706	T	87.4	Confident	87.5	Confident	12 Å²	12	50.4 Å²	50.4	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-81.1	-6.2	178.2	57.3	0	0	0	0	113.8	K680 W683 E684 C702 Y703 Q704 N708	K680-T706 HydrophobicContact CG-CG2 4.24Å; W683-T706 HydrophobicContact CB-CG2 3.61Å; E684-T706 HydrophobicContact CG-CG2 3.7Å; C702-T706 WeakPolarHBondContact O-CB 3.38Å; C702-T706 VanDerWaalsContact O-CG2 3.23Å; C702-T706 WeakPolarHBondContact O-CG2 3.41Å; C702-T706 PolarHBondContact O-N 3.16Å; C702-T706 PolarHBondContact O-OG1 2.79Å; Y703-T706 WeakPolarHBondContact CA-OG1 3.46Å; Y703-T706 PolarHBondContact O-OG1 3.28Å; Q704-T706 PolarHBondContact O-N 3.34Å; T706-N708 VanDerWaalsContact C-N 3.32Å; T706-N708 PolarHBondContact O-N 2.79Å
707	K	87.9	Confident	87.4	Confident	142 Å²	142	52.3 Å²	52.3	62%	0.617	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	37.1	-178.5	-64.5	-179.6	-179.3	178	0	113.1	Y703 Q704 R705 F709	Y703-K707 PolarHBondContact O-N 3.14Å; Q704-K707 PolarHBondContact O-N 3.5Å; R705-K707 VanDerWaalsContact C-N 3.28Å; R705-K707 PolarHBondContact O-N 3.11Å; K707-F709 HydrophobicContact CB-CE2 3.69Å; K707-F709 HydrophobicContact CB-CZ 4.14Å; K707-F709 HydrophobicContact CG-CE2 4.33Å; K707-F709 HydrophobicContact CG-CZ 4.34Å; K707-F709 WeakPolarHBondContact O-CD2 3.46Å; K707-F709 VanDerWaalsContact O-CE2 3.29Å; K707-F709 WeakPolarHBondContact O-CE2 3.45Å; K707-F709 PolarHBondContact O-N 2.84Å
708	N	86.3	Confident	87.2	Confident	47 Å²	47	51.3 Å²	51.3	25%	0.251	24%	0.237	S	C	.	.			trans	-95.6	77.3	-179.1	-157.3	-26	0	0	0	111.4	Y703 T706 D710 K711 L712	Y703-N708 HydrophobicContact CD1-CB 4.4Å; Y703-N708 PolarHBondContact O-N 3.07Å; T706-N708 VanDerWaalsContact C-N 3.32Å; T706-N708 PolarHBondContact O-N 2.79Å; N708-D710 PolarHBondContact O-N 2.91Å; N708-K711 WeakPolarHBondContact ND2-CD 3.43Å; N708-L712 PolarHBondContact O-N 3.21Å
709	F	86.1	Confident	86.9	Confident	46 Å²	46	50.8 Å²	50.8	20%	0.202	23%	0.234	C	C	.	.	H	α-helix	trans	-71.2	-28.2	-169.2	-60.7	-79.1	0	0	0	114.4	K707 L712 S713 M728 I731	K707-F709 HydrophobicContact CB-CE2 3.69Å; K707-F709 HydrophobicContact CB-CZ 4.14Å; K707-F709 HydrophobicContact CG-CE2 4.33Å; K707-F709 HydrophobicContact CG-CZ 4.34Å; K707-F709 WeakPolarHBondContact O-CD2 3.46Å; K707-F709 VanDerWaalsContact O-CE2 3.29Å; K707-F709 WeakPolarHBondContact O-CE2 3.45Å; K707-F709 PolarHBondContact O-N 2.84Å; F709-L712 HydrophobicContact CD1-CD2 4.5Å; F709-L712 PolarHBondContact O-N 2.69Å; F709-S713 WeakPolarHBondContact O-CB 3.48Å; F709-S713 PolarHBondContact O-N 2.9Å; F709-S713 PolarHBondContact O-OG 2.95Å; F709-M728 HydrophobicContact CD1-SD 3.99Å; F709-I731 HydrophobicContact CD1-CG2 4.5Å; F709-I731 HydrophobicContact CE1-CG2 4.33Å
710	D	85.4	Confident	86.6	Confident	89 Å²	89	51.2 Å²	51.2	48%	0.476	24%	0.239	S	C	.	.	H	α-helix	trans	-65.1	-47.7	177.4	-60	-20	0	0	0	110.7	N708 L712 S713 F714	N708-D710 PolarHBondContact O-N 2.91Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 2.93Å; D710-S713 PolarHBondContact O-N 3.15Å; D710-F714 PolarHBondContact O-N 2.84Å
711	K	87.3	Confident	86.4	Confident	94 Å²	94	51.3 Å²	51.3	41%	0.409	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-36.5	176.7	-65.8	-170.7	-178.2	-177.7	0	111.8	Y703 N708 L715	Y703-K711 HydrophobicContact CD1-CB 4.46Å; Y703-K711 HydrophobicContact CD1-CD 4.35Å; Y703-K711 HydrophobicContact CD2-CB 3.83Å; Y703-K711 HydrophobicContact CE1-CB 4.29Å; Y703-K711 HydrophobicContact CE1-CD 3.65Å; Y703-K711 HydrophobicContact CE2-CB 3.61Å; Y703-K711 HydrophobicContact CE2-CD 4.24Å; Y703-K711 HydrophobicContact CG-CB 4.26Å; N708-K711 WeakPolarHBondContact ND2-CD 3.43Å; K711-L715 WeakPolarHBondContact O-CB 3.43Å; K711-L715 PolarHBondContact O-N 3.5Å
712	L	88.3	Confident	86.2	Confident	2 Å²	2	52 Å²	52	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-43	177.3	-169.8	63.7	0	0	0	111.9	E700 Q704 N708 F709 D710 F714 L715 Y716 M728	E700-L712 HydrophobicContact CG-CD1 3.8Å; Q704-L712 HydrophobicContact CG-CD2 4.04Å; N708-L712 PolarHBondContact O-N 3.21Å; F709-L712 HydrophobicContact CD1-CD2 4.5Å; F709-L712 PolarHBondContact O-N 2.69Å; D710-L712 VanDerWaalsContact C-N 3.29Å; D710-L712 PolarHBondContact O-N 2.93Å; L712-F714 VanDerWaalsContact C-N 3.34Å; L712-F714 PolarHBondContact O-N 3.03Å; L712-L715 WeakPolarHBondContact O-CB 3.26Å; L712-L715 PolarHBondContact O-N 3Å; L712-Y716 HydrophobicContact CD1-CE1 4.03Å; L712-Y716 HydrophobicContact CD1-CE2 4.04Å; L712-Y716 WeakPolarHBondContact CD1-OH 3.42Å; L712-Y716 HydrophobicContact CD2-CE2 4.03Å; L712-Y716 HydrophobicContact CG-CD2 4.29Å; L712-Y716 HydrophobicContact CG-CE1 4.44Å; L712-Y716 HydrophobicContact CG-CE2 3.56Å; L712-Y716 WeakPolarHBondContact O-CD2 3.37Å; L712-Y716 PolarHBondContact O-N 3.19Å; L712-M728 HydrophobicContact CD2-CE 4.24Å; L712-M728 HydrophobicContact CD2-SD 3.8Å; L712-M728 HydrophobicContact CG-SD 4.46Å
713	S	87.4	Confident	85.9	Confident	4 Å²	4	59 Å²	59	3%	0.028	28%	0.277	C	S	.	.	H	α-helix	trans	-61.5	-42.6	176.1	-59.6	0	0	0	0	111.6	F709 D710 Y716 L717 N744	F709-S713 WeakPolarHBondContact O-CB 3.48Å; F709-S713 PolarHBondContact O-N 2.9Å; F709-S713 PolarHBondContact O-OG 2.95Å; D710-S713 PolarHBondContact O-N 3.15Å; S713-Y716 PolarHBondContact O-N 3.02Å; S713-L717 PolarHBondContact O-N 3.07Å; S713-L717 VanDerWaalsContact O-N 3.1Å; S713-N744 WeakPolarHBondContact CB-OD1 3.41Å; S713-N744 PolarHBondContact OG-ND2 3.01Å; S713-N744 PolarHBondContact OG-OD1 3.26Å; S713-N744 VanDerWaalsContact OG-OD1 3.13Å
714	F	87.7	Confident	85.7	Confident	111 Å²	111	60.8 Å²	60.8	49%	0.487	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-37.7	174.2	-171.7	-115.9	0	0	0	112.7	D710 L712 Y716 L717 I718	D710-F714 PolarHBondContact O-N 2.84Å; L712-F714 VanDerWaalsContact C-N 3.34Å; L712-F714 PolarHBondContact O-N 3.03Å; F714-Y716 VanDerWaalsContact C-N 3.35Å; F714-Y716 PolarHBondContact O-N 2.81Å; F714-L717 HydrophobicContact CD2-CD2 4.38Å; F714-L717 WeakPolarHBondContact O-CB 3.36Å; F714-L717 PolarHBondContact O-N 2.85Å; F714-I718 HydrophobicContact CD1-CD1 3.65Å; F714-I718 HydrophobicContact CE1-CD1 3.29Å; F714-I718 HydrophobicContact CE1-CG1 4.28Å; F714-I718 HydrophobicContact CE2-CD1 4.37Å; F714-I718 HydrophobicContact CG-CD1 4.35Å; F714-I718 HydrophobicContact CZ-CD1 3.69Å; F714-I718 HydrophobicContact CZ-CG1 4.27Å; F714-I718 WeakPolarHBondContact O-CG1 3.33Å; F714-I718 PolarHBondContact O-N 2.81Å
715	L	86.9	Confident	85.6	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-41.2	175.1	-175.5	64.6	0	0	0	111.7	H696 V699 E700 K711 L712 I718 T719	H696-L715 HydrophobicContact CB-CD1 4.22Å; V699-L715 HydrophobicContact CG1-CD2 4.24Å; E700-L715 HydrophobicContact CB-CD2 4.14Å; K711-L715 WeakPolarHBondContact O-CB 3.43Å; K711-L715 PolarHBondContact O-N 3.5Å; L712-L715 WeakPolarHBondContact O-CB 3.26Å; L712-L715 PolarHBondContact O-N 3Å; L715-I718 PolarHBondContact O-N 3.05Å; L715-T719 HydrophobicContact CD1-CG2 4.32Å; L715-T719 HydrophobicContact CG-CG2 4.46Å; L715-T719 WeakPolarHBondContact O-CB 3.3Å; L715-T719 WeakPolarHBondContact O-CG2 3.45Å; L715-T719 PolarHBondContact O-N 2.89Å; L715-T719 PolarHBondContact O-OG1 3.32Å
716	Y	87.3	Confident	85.6	Confident	8 Å²	8	55.5 Å²	55.5	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-34.8	176.2	-63.5	-31.5	0	0	0	113.2	E700 L712 S713 F714 T719 G720 N721 K724 M728	E700-Y716 HydrophobicContact CG-CE1 4.1Å; E700-Y716 PolarHBondContact OE1-OH 2.87Å; E700-Y716 VanDerWaalsContact OE1-OH 3.06Å; L712-Y716 HydrophobicContact CD1-CE1 4.03Å; L712-Y716 HydrophobicContact CD1-CE2 4.04Å; L712-Y716 WeakPolarHBondContact CD1-OH 3.42Å; L712-Y716 HydrophobicContact CD2-CE2 4.03Å; L712-Y716 HydrophobicContact CG-CD2 4.29Å; L712-Y716 HydrophobicContact CG-CE1 4.44Å; L712-Y716 HydrophobicContact CG-CE2 3.56Å; L712-Y716 WeakPolarHBondContact O-CD2 3.37Å; L712-Y716 PolarHBondContact O-N 3.19Å; S713-Y716 PolarHBondContact O-N 3.02Å; F714-Y716 VanDerWaalsContact C-N 3.35Å; F714-Y716 PolarHBondContact O-N 2.81Å; Y716-T719 VanDerWaalsContact CA-OG1 3.32Å; Y716-T719 WeakPolarHBondContact CA-OG1 3.47Å; Y716-T719 PolarHBondContact O-OG1 3.36Å; Y716-G720 PolarHBondContact O-N 3.41Å; Y716-N721 PolarHBondContact O-N 3.46Å; Y716-K724 HydrophobicContact CD1-CB 3.99Å; Y716-K724 HydrophobicContact CD1-CD 4Å; Y716-K724 HydrophobicContact CD2-CB 3.74Å; Y716-K724 HydrophobicContact CE1-CB 3.94Å; Y716-K724 HydrophobicContact CE1-CD 3.42Å; Y716-K724 VanDerWaalsContact CE1-CD 3.42Å; Y716-K724 HydrophobicContact CE1-CG 4.32Å; Y716-K724 HydrophobicContact CE2-CB 3.66Å; Y716-K724 HydrophobicContact CE2-CD 4.45Å; Y716-K724 HydrophobicContact CG-CB 3.9Å; Y716-M728 HydrophobicContact CD2-CG 3.82Å; Y716-M728 HydrophobicContact CE2-CE 4.18Å; Y716-M728 HydrophobicContact CE2-CG 3.67Å; Y716-M728 HydrophobicContact CE2-SD 4.26Å
717	L	84.8	Confident	85.6	Confident	48 Å²	48	61.4 Å²	61.4	25%	0.251	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-45	171.4	177.8	65.3	0	0	0	111.6	S713 F714 G720 Y747 P806	S713-L717 PolarHBondContact O-N 3.07Å; S713-L717 VanDerWaalsContact O-N 3.1Å; F714-L717 HydrophobicContact CD2-CD2 4.38Å; F714-L717 WeakPolarHBondContact O-CB 3.36Å; F714-L717 PolarHBondContact O-N 2.85Å; L717-G720 PolarHBondContact O-N 2.86Å; L717-Y747 HydrophobicContact CD1-CG 4.48Å; L717-Y747 HydrophobicContact CD2-CD1 3.58Å; L717-Y747 HydrophobicContact CD2-CD2 4.32Å; L717-Y747 HydrophobicContact CD2-CE1 3.78Å; L717-Y747 HydrophobicContact CD2-CE2 4.49Å; L717-Y747 HydrophobicContact CD2-CG 3.87Å; L717-P806 HydrophobicContact CD1-CB 4.37Å
718	I	82.8	Confident	85.5	Confident	75 Å²	75	55.5 Å²	55.5	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-68	-42.5	-179.5	-69.2	169.7	0	0	0	111.8	F714 L715 G720 W817	F714-I718 HydrophobicContact CD1-CD1 3.65Å; F714-I718 HydrophobicContact CE1-CD1 3.29Å; F714-I718 HydrophobicContact CE1-CG1 4.28Å; F714-I718 HydrophobicContact CE2-CD1 4.37Å; F714-I718 HydrophobicContact CG-CD1 4.35Å; F714-I718 HydrophobicContact CZ-CD1 3.69Å; F714-I718 HydrophobicContact CZ-CG1 4.27Å; F714-I718 WeakPolarHBondContact O-CG1 3.33Å; F714-I718 PolarHBondContact O-N 2.81Å; L715-I718 PolarHBondContact O-N 3.05Å; I718-G720 PolarHBondContact O-N 3.16Å; I718-W817 HydrophobicContact CG2-CH2 4.06Å; I718-W817 HydrophobicContact CG2-CZ2 3.68Å
719	T	81.1	Confident	85.5	Confident	10 Å²	10	54 Å²	54	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-74.6	-15	179.1	51.5	0	0	0	0	112.6	L715 Y716 L813	L715-T719 HydrophobicContact CD1-CG2 4.32Å; L715-T719 HydrophobicContact CG-CG2 4.46Å; L715-T719 WeakPolarHBondContact O-CB 3.3Å; L715-T719 WeakPolarHBondContact O-CG2 3.45Å; L715-T719 PolarHBondContact O-N 2.89Å; L715-T719 PolarHBondContact O-OG1 3.32Å; Y716-T719 VanDerWaalsContact CA-OG1 3.32Å; Y716-T719 WeakPolarHBondContact CA-OG1 3.47Å; Y716-T719 PolarHBondContact O-OG1 3.36Å; T719-L813 PolarHBondContact O-N 2.68Å
720	G	81.1	Confident	85.5	Confident	9 Å²	9	57.7 Å²	57.7	9%	0.093	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	14.4	-179.6	0	0	0	0	0	114.2	Y716 L717 I718 L722	Y716-G720 PolarHBondContact O-N 3.41Å; L717-G720 PolarHBondContact O-N 2.86Å; I718-G720 PolarHBondContact O-N 3.16Å; G720-L722 PolarHBondContact O-N 2.83Å; G720-L722 VanDerWaalsContact O-N 3.1Å
721	N	84	Confident	85.6	Confident	32 Å²	32	55.3 Å²	55.3	17%	0.171	26%	0.256	C	S	.	.			trans	-83.4	86.1	-179.8	-164.1	-43.6	0	0	0	111.3	Y716 E723 K724 L725	Y716-N721 PolarHBondContact O-N 3.46Å; N721-E723 VanDerWaalsContact C-N 3.3Å; N721-E723 PolarHBondContact O-N 2.96Å; N721-E723 PolarHBondContact OD1-N 2.8Å; N721-K724 HydrophobicContact CB-CB 4.44Å; N721-K724 WeakPolarHBondContact OD1-CB 3.4Å; N721-K724 WeakPolarHBondContact OD1-CG 3.45Å; N721-K724 PolarHBondContact OD1-N 2.82Å; N721-L725 PolarHBondContact O-N 2.76Å
722	L	83.3	Confident	85.5	Confident	79 Å²	79	51.2 Å²	51.2	41%	0.414	24%	0.239	S	C	.	.	H	α-helix	trans	-67.8	-27.3	-177.5	-58.2	178.9	0	0	0	113.2	G720 R726 L748 P809	G720-L722 PolarHBondContact O-N 2.83Å; G720-L722 VanDerWaalsContact O-N 3.1Å; L722-R726 WeakPolarHBondContact O-CB 3.24Å; L722-R726 PolarHBondContact O-N 3.44Å; L722-L748 HydrophobicContact CB-CD2 4.34Å; L722-L748 HydrophobicContact CD2-CD2 4.25Å; L722-P809 HydrophobicContact CD1-CG 4.35Å; L722-P809 HydrophobicContact CD2-CG 4.49Å; L722-P809 HydrophobicContact CG-CG 4.35Å
723	E	84.7	Confident	85.4	Confident	148 Å²	148	56.4 Å²	56.4	69%	0.692	26%	0.263	S	S	*	.	H	α-helix	trans	-69.5	-48.8	179	-66.5	179.9	-176.3	0	0	111.6	N721 L725 R726 K727	N721-E723 VanDerWaalsContact C-N 3.3Å; N721-E723 PolarHBondContact O-N 2.96Å; N721-E723 PolarHBondContact OD1-N 2.8Å; E723-L725 VanDerWaalsContact C-N 3.28Å; E723-L725 PolarHBondContact O-N 3.04Å; E723-R726 PolarHBondContact O-N 2.58Å; E723-K727 PolarHBondContact O-N 2.77Å
724	K	84.9	Confident	85.4	Confident	66 Å²	66	61.5 Å²	61.5	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-36.2	175.1	-69.5	-174.4	-177.1	-174.2	0	111.2	E700 Y716 N721 K727 M728	E700-K724 VanDerWaalsContact CD-NZ 3.3Å; E700-K724 IonicContact OE1-NZ 2.93Å; E700-K724 PolarHBondContact OE1-NZ 2.97Å; E700-K724 IonicContact OE2-NZ 3.95Å; E700-K724 PolarHBondContact OE2-NZ 3.2Å; Y716-K724 HydrophobicContact CD1-CB 3.99Å; Y716-K724 HydrophobicContact CD1-CD 4Å; Y716-K724 HydrophobicContact CD2-CB 3.74Å; Y716-K724 HydrophobicContact CE1-CB 3.94Å; Y716-K724 HydrophobicContact CE1-CD 3.42Å; Y716-K724 VanDerWaalsContact CE1-CD 3.42Å; Y716-K724 HydrophobicContact CE1-CG 4.32Å; Y716-K724 HydrophobicContact CE2-CB 3.66Å; Y716-K724 HydrophobicContact CE2-CD 4.45Å; Y716-K724 HydrophobicContact CG-CB 3.9Å; N721-K724 HydrophobicContact CB-CB 4.44Å; N721-K724 WeakPolarHBondContact OD1-CB 3.4Å; N721-K724 WeakPolarHBondContact OD1-CG 3.45Å; N721-K724 PolarHBondContact OD1-N 2.82Å; K724-K727 WeakPolarHBondContact O-CB 3.38Å; K724-K727 PolarHBondContact O-N 2.87Å; K724-M728 WeakPolarHBondContact O-CG 3.46Å; K724-M728 PolarHBondContact O-N 3.31Å
725	L	86.2	Confident	85.2	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-39.1	174.3	-172.3	63.9	0	0	0	112.5	N721 E723 K727 M728 M729 N744 Y747 L748	N721-L725 PolarHBondContact O-N 2.76Å; E723-L725 VanDerWaalsContact C-N 3.28Å; E723-L725 PolarHBondContact O-N 3.04Å; L725-K727 VanDerWaalsContact C-N 3.35Å; L725-M728 WeakPolarHBondContact O-CB 3.38Å; L725-M728 PolarHBondContact O-N 2.75Å; L725-M729 PolarHBondContact O-N 3.04Å; L725-N744 WeakPolarHBondContact CD1-OD1 3.23Å; L725-Y747 HydrophobicContact CD1-CD2 4.31Å; L725-L748 HydrophobicContact CB-CD2 4.2Å; L725-L748 HydrophobicContact CD2-CD2 3.7Å; L725-L748 HydrophobicContact CD2-CG 3.75Å; L725-L748 HydrophobicContact CG-CD1 4.42Å; L725-L748 HydrophobicContact CG-CD2 4.01Å; L725-L748 HydrophobicContact CG-CG 3.96Å
726	R	87.4	Confident	85.1	Confident	132 Å²	132	70.4 Å²	70.4	50%	0.498	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-37.6	172.7	-168.5	-175.5	-63.9	-93.8	1.1	112	L722 E723 M728 M729 K730 L748	L722-R726 WeakPolarHBondContact O-CB 3.24Å; L722-R726 PolarHBondContact O-N 3.44Å; E723-R726 PolarHBondContact O-N 2.58Å; R726-M728 VanDerWaalsContact C-N 3.35Å; R726-M729 WeakPolarHBondContact O-CB 3.35Å; R726-M729 PolarHBondContact O-N 2.7Å; R726-K730 PolarHBondContact O-N 3.36Å; R726-L748 HydrophobicContact CB-CD1 4.34Å
727	K	86.5	Confident	84.9	Confident	135 Å²	135	73 Å²	73	59%	0.587	34%	0.338	S	S	*	.	H	α-helix	trans	-62.7	-40.8	171.6	-68.1	177.8	-178.5	179.1	0	111.2	E723 K724 L725 M729 K730 I731	E723-K727 PolarHBondContact O-N 2.77Å; K724-K727 WeakPolarHBondContact O-CB 3.38Å; K724-K727 PolarHBondContact O-N 2.87Å; L725-K727 VanDerWaalsContact C-N 3.35Å; K727-M729 VanDerWaalsContact C-N 3.33Å; K727-M729 PolarHBondContact O-N 3.32Å; K727-K730 PolarHBondContact O-N 3.37Å; K727-I731 WeakPolarHBondContact O-CG1 3.44Å; K727-I731 PolarHBondContact O-N 2.83Å
728	M	85.3	Confident	84.9	Confident	19 Å²	19	74 Å²	74	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-37.2	175.5	-70.4	-55.4	108.2	0	0	112.9	F709 L712 Y716 K724 L725 R726 K730 I731 A732	F709-M728 HydrophobicContact CD1-SD 3.99Å; L712-M728 HydrophobicContact CD2-CE 4.24Å; L712-M728 HydrophobicContact CD2-SD 3.8Å; L712-M728 HydrophobicContact CG-SD 4.46Å; Y716-M728 HydrophobicContact CD2-CG 3.82Å; Y716-M728 HydrophobicContact CE2-CE 4.18Å; Y716-M728 HydrophobicContact CE2-CG 3.67Å; Y716-M728 HydrophobicContact CE2-SD 4.26Å; K724-M728 WeakPolarHBondContact O-CG 3.46Å; K724-M728 PolarHBondContact O-N 3.31Å; L725-M728 WeakPolarHBondContact O-CB 3.38Å; L725-M728 PolarHBondContact O-N 2.75Å; R726-M728 VanDerWaalsContact C-N 3.35Å; M728-K730 PolarHBondContact O-N 2.99Å; M728-I731 HydrophobicContact CE-CD1 3.38Å; M728-I731 PolarHBondContact O-N 2.89Å; M728-I731 HydrophobicContact SD-CD1 4.23Å; M728-A732 WeakPolarHBondContact O-CB 3.4Å; M728-A732 PolarHBondContact O-N 3.34Å
729	M	86.9	Confident	85	Confident	14 Å²	14	73.9 Å²	73.9	7%	0.069	35%	0.348	C	S	.	.	H	α-helix	trans	-57.8	-48.1	174.3	-165.2	178.3	73.6	0	0	111.6	L725 R726 K727 I731 A732 E733 H741 N744 A745 L748 E753	L725-M729 PolarHBondContact O-N 3.04Å; R726-M729 WeakPolarHBondContact O-CB 3.35Å; R726-M729 PolarHBondContact O-N 2.7Å; K727-M729 VanDerWaalsContact C-N 3.33Å; K727-M729 PolarHBondContact O-N 3.32Å; M729-I731 PolarHBondContact O-N 2.8Å; M729-A732 PolarHBondContact O-N 2.75Å; M729-E733 PolarHBondContact O-N 2.77Å; M729-H741 WeakPolarHBondContact CG-CD2 3.11Å; M729-N744 HydrophobicContact CB-CB 3.99Å; M729-N744 HydrophobicContact CG-CB 4.17Å; M729-A745 HydrophobicContact SD-CB 4.18Å; M729-L748 HydrophobicContact SD-CD1 3.87Å; M729-E753 HydrophobicContact CE-CG 4.17Å; M729-E753 HydrophobicContact SD-CG 4.43Å
730	K	87.1	Confident	85.2	Confident	125 Å²	125	73.6 Å²	73.6	54%	0.543	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-38.9	175.4	-66.2	-175.9	178.5	-174.5	0	112.8	R726 K727 M728 A732 E733 I734	R726-K730 PolarHBondContact O-N 3.36Å; K727-K730 PolarHBondContact O-N 3.37Å; M728-K730 PolarHBondContact O-N 2.99Å; K730-A732 VanDerWaalsContact C-N 3.34Å; K730-E733 WeakPolarHBondContact O-CB 3.41Å; K730-E733 PolarHBondContact O-N 2.97Å; K730-I734 WeakPolarHBondContact O-CG1 3.39Å; K730-I734 PolarHBondContact O-N 2.88Å
731	I	85.9	Confident	85.5	Confident	38 Å²	38	73.6 Å²	73.6	20%	0.195	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-39.3	177.3	-71.5	162.7	0	0	0	111	F709 K727 M728 M729 E733 I734 R735	F709-I731 HydrophobicContact CD1-CG2 4.5Å; F709-I731 HydrophobicContact CE1-CG2 4.33Å; K727-I731 WeakPolarHBondContact O-CG1 3.44Å; K727-I731 PolarHBondContact O-N 2.83Å; M728-I731 HydrophobicContact CE-CD1 3.38Å; M728-I731 PolarHBondContact O-N 2.89Å; M728-I731 HydrophobicContact SD-CD1 4.23Å; M729-I731 PolarHBondContact O-N 2.8Å; I731-E733 VanDerWaalsContact C-N 3.33Å; I731-I734 PolarHBondContact O-N 2.67Å; I731-R735 WeakPolarHBondContact O-CB 3.47Å; I731-R735 VanDerWaalsContact O-CG 3.25Å; I731-R735 WeakPolarHBondContact O-CG 3.27Å; I731-R735 PolarHBondContact O-N 3.3Å
732	A	86.3	Confident	85.7	Confident	8 Å²	8	75.2 Å²	75.2	7%	0.066	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-39.2	174.5	0	0	0	0	0	111.6	M728 M729 K730 R735 K736 D737 H741	M728-A732 WeakPolarHBondContact O-CB 3.4Å; M728-A732 PolarHBondContact O-N 3.34Å; M729-A732 PolarHBondContact O-N 2.75Å; K730-A732 VanDerWaalsContact C-N 3.34Å; A732-R735 PolarHBondContact O-N 3.07Å; A732-K736 PolarHBondContact O-N 3.15Å; A732-K736 VanDerWaalsContact O-N 3.12Å; A732-D737 PolarHBondContact O-N 2.67Å; A732-H741 HydrophobicContact CB-CB 3.98Å
733	E	85.2	Confident	85.9	Confident	111 Å²	111	74.8 Å²	74.8	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-51.3	173.3	-173.6	-179.9	-166	0	0	112.2	M729 K730 I731 R735 K736	M729-E733 PolarHBondContact O-N 2.77Å; K730-E733 WeakPolarHBondContact O-CB 3.41Å; K730-E733 PolarHBondContact O-N 2.97Å; I731-E733 VanDerWaalsContact C-N 3.33Å; E733-R735 PolarHBondContact O-N 3.27Å; E733-K736 PolarHBondContact O-N 3.3Å
734	I	87.5	Confident	86	Confident	112 Å²	112	67.9 Å²	67.9	57%	0.574	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-38.4	178.5	-67.2	165.5	0	0	0	111.1	K730 I731 K736	K730-I734 WeakPolarHBondContact O-CG1 3.39Å; K730-I734 PolarHBondContact O-N 2.88Å; I731-I734 PolarHBondContact O-N 2.67Å; I734-K736 PolarHBondContact O-N 3.36Å
735	R	83.9	Confident	86	Confident	133 Å²	133	64.8 Å²	64.8	50%	0.502	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5	178.7	-71	176.9	129.8	-135.8	-4.7	114	I731 A732 E733 D737	I731-R735 WeakPolarHBondContact O-CB 3.47Å; I731-R735 VanDerWaalsContact O-CG 3.25Å; I731-R735 WeakPolarHBondContact O-CG 3.27Å; I731-R735 PolarHBondContact O-N 3.3Å; A732-R735 PolarHBondContact O-N 3.07Å; E733-R735 PolarHBondContact O-N 3.27Å; R735-D737 PolarHBondContact O-N 2.96Å
736	K	84.8	Confident	86	Confident	177 Å²	177	68 Å²	68	77%	0.77	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	28.1	-173	-54.9	179.9	179.2	178.5	0	113.3	A732 E733 I734 M738	A732-K736 PolarHBondContact O-N 3.15Å; A732-K736 VanDerWaalsContact O-N 3.12Å; E733-K736 PolarHBondContact O-N 3.3Å; I734-K736 PolarHBondContact O-N 3.36Å; K736-M738 PolarHBondContact O-N 3.03Å
737	D	84.1	Confident	85.9	Confident	61 Å²	61	64.4 Å²	64.4	33%	0.326	30%	0.303	S	S	.	.			trans	-86	89.4	173.8	-177.9	2.9	0	0	0	110.1	A732 R735 S739 G740 H741	A732-D737 PolarHBondContact O-N 2.67Å; R735-D737 PolarHBondContact O-N 2.96Å; D737-S739 PolarHBondContact O-N 3.3Å; D737-S739 PolarHBondContact OD1-N 3.47Å; D737-G740 PolarHBondContact OD1-N 3.47Å; D737-G740 VanDerWaalsContact OD1-N 3.1Å; D737-H741 VanDerWaalsContact O-CB 3.24Å; D737-H741 WeakPolarHBondContact O-CB 3.49Å; D737-H741 PolarHBondContact O-N 3.05Å
738	M	83.8	Confident	85.8	Confident	69 Å²	69	59.9 Å²	59.9	34%	0.34	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-27.8	-177.7	-59.1	-57.8	-76	0	0	112.8	K736 Y742 I757 N760 C761	K736-M738 PolarHBondContact O-N 3.03Å; M738-Y742 WeakPolarHBondContact O-CB 3.37Å; M738-Y742 PolarHBondContact O-N 3.43Å; M738-Y742 VanDerWaalsContact O-N 3.08Å; M738-I757 HydrophobicContact CE-CG2 3.9Å; M738-N760 HydrophobicContact CE-CB 4.14Å; M738-C761 WeakPolarHBondContact CE-SG 3.49Å
739	S	85.8	Confident	85.6	Confident	73 Å²	73	59.7 Å²	59.7	51%	0.51	29%	0.288	S	S	.	.	H	α-helix	trans	-76.3	-49.6	-179.1	-168.9	0	0	0	0	110.9	D737 H741 Y742 Q743	D737-S739 PolarHBondContact O-N 3.3Å; D737-S739 PolarHBondContact OD1-N 3.47Å; S739-H741 VanDerWaalsContact C-N 3.29Å; S739-H741 PolarHBondContact O-N 2.74Å; S739-Y742 PolarHBondContact O-N 3.2Å; S739-Q743 WeakPolarHBondContact O-CG 3.45Å; S739-Q743 PolarHBondContact O-N 3.01Å
740	G	84.4	Confident	85.5	Confident	4 Å²	4	60.9 Å²	60.9	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-36.8	174.4	0	0	0	0	0	112.3	D737 Q743 N744	D737-G740 PolarHBondContact OD1-N 3.47Å; D737-G740 VanDerWaalsContact OD1-N 3.1Å; G740-Q743 PolarHBondContact O-N 3.21Å; G740-N744 WeakPolarHBondContact O-CB 3.38Å; G740-N744 VanDerWaalsContact O-CG 3.28Å; G740-N744 PolarHBondContact O-N 2.96Å; G740-N744 PolarHBondContact O-ND2 2.92Å
741	H	87.4	Confident	85.3	Confident	10 Å²	10	55.9 Å²	55.9	5%	0.046	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-49.2	174.8	-167.8	175	0	0	0	111.2	M729 A732 D737 S739 Q743 N744 A745 I757	M729-H741 WeakPolarHBondContact CG-CD2 3.11Å; A732-H741 HydrophobicContact CB-CB 3.98Å; D737-H741 VanDerWaalsContact O-CB 3.24Å; D737-H741 WeakPolarHBondContact O-CB 3.49Å; D737-H741 PolarHBondContact O-N 3.05Å; S739-H741 VanDerWaalsContact C-N 3.29Å; S739-H741 PolarHBondContact O-N 2.74Å; H741-Q743 PolarHBondContact O-N 3.06Å; H741-N744 PolarHBondContact O-N 3.15Å; H741-A745 PolarHBondContact O-N 3.49Å; H741-I757 HydrophobicContact CB-CD1 4.24Å; H741-I757 VanDerWaalsContact CD2-CD1 3.43Å; H741-I757 WeakPolarHBondContact CD2-CD1 3.39Å
742	Y	87.6	Confident	85.3	Confident	66 Å²	66	56 Å²	56	26%	0.259	28%	0.279	S	S	.	.	H	α-helix	trans	-63.3	-39.7	178.4	-172.4	-95.6	0	0	0	112.6	M738 S739 A745 L746 R754 I757 L758	M738-Y742 WeakPolarHBondContact O-CB 3.37Å; M738-Y742 PolarHBondContact O-N 3.43Å; M738-Y742 VanDerWaalsContact O-N 3.08Å; S739-Y742 PolarHBondContact O-N 3.2Å; Y742-A745 PolarHBondContact O-N 3.2Å; Y742-L746 WeakPolarHBondContact O-CB 3.26Å; Y742-L746 PolarHBondContact O-N 3.47Å; Y742-R754 HydrophobicContact CD2-CB 4.46Å; Y742-R754 HydrophobicContact CD2-CG 4.32Å; Y742-R754 HydrophobicContact CE2-CB 3.9Å; Y742-R754 HydrophobicContact CE2-CG 3.94Å; Y742-I757 HydrophobicContact CD2-CB 4.44Å; Y742-I757 HydrophobicContact CD2-CG2 4.17Å; Y742-L758 HydrophobicContact CD2-CG 4.45Å; Y742-L758 HydrophobicContact CE2-CD1 4Å; Y742-L758 HydrophobicContact CE2-CD2 4.14Å; Y742-L758 HydrophobicContact CE2-CG 3.9Å
743	Q	87.1	Confident	85.3	Confident	69 Å²	69	56.9 Å²	56.9	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-43.6	177.1	-73.2	175.5	1.6	0	0	112.2	S739 G740 H741 L746 Y747	S739-Q743 WeakPolarHBondContact O-CG 3.45Å; S739-Q743 PolarHBondContact O-N 3.01Å; G740-Q743 PolarHBondContact O-N 3.21Å; H741-Q743 PolarHBondContact O-N 3.06Å; Q743-L746 WeakPolarHBondContact O-CB 3.36Å; Q743-L746 PolarHBondContact O-N 3.41Å; Q743-Y747 HydrophobicContact CB-CE2 4.49Å; Q743-Y747 WeakPolarHBondContact O-CD2 3.4Å; Q743-Y747 VanDerWaalsContact O-CG 3.23Å; Q743-Y747 PolarHBondContact O-N 2.9Å
744	N	86.9	Confident	85.4	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-40	177.3	-73	-28.2	0	0	0	112.2	S713 L725 M729 G740 H741 L746 Y747 L748	S713-N744 WeakPolarHBondContact CB-OD1 3.41Å; S713-N744 PolarHBondContact OG-ND2 3.01Å; S713-N744 PolarHBondContact OG-OD1 3.26Å; S713-N744 VanDerWaalsContact OG-OD1 3.13Å; L725-N744 WeakPolarHBondContact CD1-OD1 3.23Å; M729-N744 HydrophobicContact CB-CB 3.99Å; M729-N744 HydrophobicContact CG-CB 4.17Å; G740-N744 WeakPolarHBondContact O-CB 3.38Å; G740-N744 VanDerWaalsContact O-CG 3.28Å; G740-N744 PolarHBondContact O-N 2.96Å; G740-N744 PolarHBondContact O-ND2 2.92Å; H741-N744 PolarHBondContact O-N 3.15Å; N744-L746 VanDerWaalsContact C-N 3.31Å; N744-L746 PolarHBondContact O-N 3.34Å; N744-Y747 PolarHBondContact O-N 2.88Å; N744-L748 WeakPolarHBondContact O-CB 3.5Å; N744-L748 WeakPolarHBondContact O-CG 3.1Å; N744-L748 PolarHBondContact O-N 3.44Å
745	A	86.6	Confident	85.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-38	173	0	0	0	0	0	111.8	M729 H741 Y742 L748 G749 D750 E753 R754 I757	M729-A745 HydrophobicContact SD-CB 4.18Å; H741-A745 PolarHBondContact O-N 3.49Å; Y742-A745 PolarHBondContact O-N 3.2Å; A745-L748 PolarHBondContact O-N 3.29Å; A745-G749 PolarHBondContact O-N 3.49Å; A745-D750 PolarHBondContact O-N 2.92Å; A745-E753 HydrophobicContact CB-CB 4.12Å; A745-R754 HydrophobicContact CB-CG 3.85Å; A745-I757 HydrophobicContact CB-CD1 4.16Å
746	L	86.2	Confident	85.4	Confident	68 Å²	68	46.7 Å²	46.7	36%	0.356	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-44.1	173.8	-177	68.3	0	0	0	112.2	Y742 Q743 N744 L748 G749	Y742-L746 WeakPolarHBondContact O-CB 3.26Å; Y742-L746 PolarHBondContact O-N 3.47Å; Q743-L746 WeakPolarHBondContact O-CB 3.36Å; Q743-L746 PolarHBondContact O-N 3.41Å; N744-L746 VanDerWaalsContact C-N 3.31Å; N744-L746 PolarHBondContact O-N 3.34Å; L746-L748 VanDerWaalsContact C-N 3.32Å; L746-L748 PolarHBondContact O-N 3.29Å; L746-G749 PolarHBondContact O-N 2.95Å; L746-G749 VanDerWaalsContact O-N 3.11Å
747	Y	85.4	Confident	85.5	Confident	57 Å²	57	38.5 Å²	38.5	22%	0.224	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-33.4	177.8	-66.6	-22.7	0	0	0	113.1	L717 L725 Q743 N744 G749 P806	L717-Y747 HydrophobicContact CD1-CG 4.48Å; L717-Y747 HydrophobicContact CD2-CD1 3.58Å; L717-Y747 HydrophobicContact CD2-CD2 4.32Å; L717-Y747 HydrophobicContact CD2-CE1 3.78Å; L717-Y747 HydrophobicContact CD2-CE2 4.49Å; L717-Y747 HydrophobicContact CD2-CG 3.87Å; L725-Y747 HydrophobicContact CD1-CD2 4.31Å; Q743-Y747 HydrophobicContact CB-CE2 4.49Å; Q743-Y747 WeakPolarHBondContact O-CD2 3.4Å; Q743-Y747 VanDerWaalsContact O-CG 3.23Å; Q743-Y747 PolarHBondContact O-N 2.9Å; N744-Y747 PolarHBondContact O-N 2.88Å; Y747-G749 VanDerWaalsContact C-N 3.28Å; Y747-P806 WeakPolarHBondContact O-CG 3.29Å
748	L	83.8	Confident	85.6	Confident	39 Å²	39	36.6 Å²	36.6	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-77.6	-14.4	173.1	-71.4	168.1	0	0	0	113.1	L722 L725 R726 M729 N744 A745 L746 D750	L722-L748 HydrophobicContact CB-CD2 4.34Å; L722-L748 HydrophobicContact CD2-CD2 4.25Å; L725-L748 HydrophobicContact CB-CD2 4.2Å; L725-L748 HydrophobicContact CD2-CD2 3.7Å; L725-L748 HydrophobicContact CD2-CG 3.75Å; L725-L748 HydrophobicContact CG-CD1 4.42Å; L725-L748 HydrophobicContact CG-CD2 4.01Å; L725-L748 HydrophobicContact CG-CG 3.96Å; R726-L748 HydrophobicContact CB-CD1 4.34Å; M729-L748 HydrophobicContact SD-CD1 3.87Å; N744-L748 WeakPolarHBondContact O-CB 3.5Å; N744-L748 WeakPolarHBondContact O-CG 3.1Å; N744-L748 PolarHBondContact O-N 3.44Å; A745-L748 PolarHBondContact O-N 3.29Å; L746-L748 VanDerWaalsContact C-N 3.32Å; L746-L748 PolarHBondContact O-N 3.29Å; L748-D750 HydrophobicContact CB-CB 4.43Å; L748-D750 PolarHBondContact O-N 3.47Å
749	G	81.2	Confident	85.6	Confident	16 Å²	16	38.5 Å²	38.5	17%	0.165	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	18.5	-172.1	0	0	0	0	0	113.7	A745 L746 Y747 V751	A745-G749 PolarHBondContact O-N 3.49Å; L746-G749 PolarHBondContact O-N 2.95Å; L746-G749 VanDerWaalsContact O-N 3.11Å; Y747-G749 VanDerWaalsContact C-N 3.28Å; G749-V751 PolarHBondContact O-N 3.26Å
750	D	85.1	Confident	85.5	Confident	39 Å²	39	40.6 Å²	40.6	21%	0.209	20%	0.198	C	C	.	.			trans	-80.3	97.6	-179.1	-164.8	-28.2	0	0	0	110.4	A745 L748 S752 E753 R754	A745-D750 PolarHBondContact O-N 2.92Å; L748-D750 HydrophobicContact CB-CB 4.43Å; L748-D750 PolarHBondContact O-N 3.47Å; D750-S752 PolarHBondContact OD1-N 3.38Å; D750-S752 VanDerWaalsContact OD1-N 3.16Å; D750-S752 PolarHBondContact OD1-OG 3.07Å; D750-E753 HydrophobicContact CB-CB 4.38Å; D750-E753 PolarHBondContact OD1-N 3.11Å; D750-R754 WeakPolarHBondContact O-CD 3.5Å; D750-R754 VanDerWaalsContact O-CG 3.27Å; D750-R754 WeakPolarHBondContact O-CG 3.48Å; D750-R754 PolarHBondContact O-N 3.19Å
751	V	83.4	Confident	85.4	Confident	19 Å²	19	43.4 Å²	43.4	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-71.5	-33.7	-178.2	-176.1	0	0	0	0	111.7	G749 R754 V755 T770 H774 L776 L803	G749-V751 PolarHBondContact O-N 3.26Å; V751-R754 WeakPolarHBondContact O-CB 3.44Å; V751-R754 PolarHBondContact O-N 3.47Å; V751-V755 HydrophobicContact CG1-CG2 4.44Å; V751-V755 WeakPolarHBondContact O-CG2 3.4Å; V751-V755 PolarHBondContact O-N 2.98Å; V751-T770 HydrophobicContact CG1-CG2 4.17Å; V751-H774 HydrophobicContact CG1-CB 3.75Å; V751-H774 HydrophobicContact CG2-CB 4.42Å; V751-L776 HydrophobicContact CB-CD1 4.34Å; V751-L776 HydrophobicContact CG1-CD1 3.77Å; V751-L803 HydrophobicContact CG2-CD1 4.15Å
752	S	85.3	Confident	85.1	Confident	41 Å²	41	45.5 Å²	45.5	29%	0.287	24%	0.24	S	C	.	.	H	α-helix	trans	-65.2	-43.4	-177.9	70.5	0	0	0	0	111.7	D750 V755 R756	D750-S752 PolarHBondContact OD1-N 3.38Å; D750-S752 VanDerWaalsContact OD1-N 3.16Å; D750-S752 PolarHBondContact OD1-OG 3.07Å; S752-V755 PolarHBondContact O-N 3.49Å; S752-R756 PolarHBondContact O-N 3.19Å
753	E	86.1	Confident	84.9	Confident	27 Å²	27	46.8 Å²	46.8	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-67.7	-37.1	174.8	-68.3	-59	158.8	0	0	111.7	M729 A745 D750 V755 R756 I757	M729-E753 HydrophobicContact CE-CG 4.17Å; M729-E753 HydrophobicContact SD-CG 4.43Å; A745-E753 HydrophobicContact CB-CB 4.12Å; D750-E753 HydrophobicContact CB-CB 4.38Å; D750-E753 PolarHBondContact OD1-N 3.11Å; E753-V755 VanDerWaalsContact C-N 3.33Å; E753-V755 PolarHBondContact O-N 3.44Å; E753-R756 PolarHBondContact O-N 3.21Å; E753-R756 IonicContact OE1-CZ 3.64Å; E753-R756 IonicContact OE1-NH1 3.58Å; E753-R756 PolarHBondContact OE1-NH1 3.37Å; E753-R756 IonicContact OE1-NH2 3.55Å; E753-R756 PolarHBondContact OE1-NH2 3.21Å; E753-R756 IonicContact OE2-CZ 2.67Å; E753-R756 IonicContact OE2-NE 2.91Å; E753-R756 IonicContact OE2-NH1 3.89Å; E753-R756 PolarHBondContact OE2-NH1 3.47Å; E753-I757 WeakPolarHBondContact O-CB 3.25Å; E753-I757 WeakPolarHBondContact O-CD1 3.39Å; E753-I757 WeakPolarHBondContact O-CG1 3.15Å; E753-I757 PolarHBondContact O-N 2.84Å
754	R	86.3	Confident	84.7	Confident	25 Å²	25	46.7 Å²	46.7	9%	0.094	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-43.6	174.6	-72.5	168.2	60.5	-153.4	-7.9	111.9	Y742 A745 D750 V751 L758	Y742-R754 HydrophobicContact CD2-CB 4.46Å; Y742-R754 HydrophobicContact CD2-CG 4.32Å; Y742-R754 HydrophobicContact CE2-CB 3.9Å; Y742-R754 HydrophobicContact CE2-CG 3.94Å; A745-R754 HydrophobicContact CB-CG 3.85Å; D750-R754 WeakPolarHBondContact O-CD 3.5Å; D750-R754 VanDerWaalsContact O-CG 3.27Å; D750-R754 WeakPolarHBondContact O-CG 3.48Å; D750-R754 PolarHBondContact O-N 3.19Å; V751-R754 WeakPolarHBondContact O-CB 3.44Å; V751-R754 PolarHBondContact O-N 3.47Å; R754-L758 WeakPolarHBondContact O-CB 3.33Å; R754-L758 VanDerWaalsContact O-CG 3.25Å; R754-L758 WeakPolarHBondContact O-CG 3.29Å; R754-L758 PolarHBondContact O-N 3.49Å; R754-L758 VanDerWaalsContact O-N 3.07Å
755	V	85.6	Confident	84.5	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-44.3	176.8	175.4	0	0	0	0	110.5	V751 S752 E753 I757 L758 K759 A767 T770 A771 L776 E779 L783	V751-V755 HydrophobicContact CG1-CG2 4.44Å; V751-V755 WeakPolarHBondContact O-CG2 3.4Å; V751-V755 PolarHBondContact O-N 2.98Å; S752-V755 PolarHBondContact O-N 3.49Å; E753-V755 VanDerWaalsContact C-N 3.33Å; E753-V755 PolarHBondContact O-N 3.44Å; V755-I757 PolarHBondContact O-N 3.38Å; V755-L758 PolarHBondContact O-N 2.96Å; V755-K759 WeakPolarHBondContact O-CB 3.09Å; V755-K759 PolarHBondContact O-N 2.95Å; V755-A767 HydrophobicContact CG1-CB 4.4Å; V755-T770 HydrophobicContact CG2-CG2 4.04Å; V755-A771 HydrophobicContact CG1-CB 4.38Å; V755-A771 HydrophobicContact CG2-CB 4Å; V755-L776 HydrophobicContact CG2-CD1 4.27Å; V755-E779 WeakPolarHBondContact CG1-OE2 3.34Å; V755-L783 HydrophobicContact CG1-CD1 3.82Å
756	R	86.6	Confident	84.4	Confident	114 Å²	114	52.8 Å²	52.8	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-45.2	176.6	-170.6	-176.2	-61.8	154.8	11.9	112.6	S752 E753 K759 N760	S752-R756 PolarHBondContact O-N 3.19Å; E753-R756 PolarHBondContact O-N 3.21Å; E753-R756 IonicContact OE1-CZ 3.64Å; E753-R756 IonicContact OE1-NH1 3.58Å; E753-R756 PolarHBondContact OE1-NH1 3.37Å; E753-R756 IonicContact OE1-NH2 3.55Å; E753-R756 PolarHBondContact OE1-NH2 3.21Å; E753-R756 IonicContact OE2-CZ 2.67Å; E753-R756 IonicContact OE2-NE 2.91Å; E753-R756 IonicContact OE2-NH1 3.89Å; E753-R756 PolarHBondContact OE2-NH1 3.47Å; R756-K759 PolarHBondContact O-N 3.21Å; R756-N760 WeakPolarHBondContact O-CB 3.16Å; R756-N760 VanDerWaalsContact O-CG 3.25Å; R756-N760 PolarHBondContact O-N 2.88Å
757	I	86.8	Confident	84.2	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-47.6	178.5	-65.7	161.3	0	0	0	110.4	M738 H741 Y742 A745 E753 V755 K759 N760 C761	M738-I757 HydrophobicContact CE-CG2 3.9Å; H741-I757 HydrophobicContact CB-CD1 4.24Å; H741-I757 VanDerWaalsContact CD2-CD1 3.43Å; H741-I757 WeakPolarHBondContact CD2-CD1 3.39Å; Y742-I757 HydrophobicContact CD2-CB 4.44Å; Y742-I757 HydrophobicContact CD2-CG2 4.17Å; A745-I757 HydrophobicContact CB-CD1 4.16Å; E753-I757 WeakPolarHBondContact O-CB 3.25Å; E753-I757 WeakPolarHBondContact O-CD1 3.39Å; E753-I757 WeakPolarHBondContact O-CG1 3.15Å; E753-I757 PolarHBondContact O-N 2.84Å; V755-I757 PolarHBondContact O-N 3.38Å; I757-K759 VanDerWaalsContact C-N 3.31Å; I757-K759 PolarHBondContact O-N 3.41Å; I757-N760 PolarHBondContact O-N 2.9Å; I757-C761 PolarHBondContact O-N 2.96Å; I757-C761 PolarHBondContact O-SG 3.4Å; I757-C761 VanDerWaalsContact O-SG 3.41Å
758	L	85.6	Confident	84.1	Confident	20 Å²	20	48.1 Å²	48.1	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-38.3	178.7	-70.7	169.9	0	0	0	112	Y742 R754 V755 C761 G762 Q763 L766 A767	Y742-L758 HydrophobicContact CD2-CG 4.45Å; Y742-L758 HydrophobicContact CE2-CD1 4Å; Y742-L758 HydrophobicContact CE2-CD2 4.14Å; Y742-L758 HydrophobicContact CE2-CG 3.9Å; R754-L758 WeakPolarHBondContact O-CB 3.33Å; R754-L758 VanDerWaalsContact O-CG 3.25Å; R754-L758 WeakPolarHBondContact O-CG 3.29Å; R754-L758 PolarHBondContact O-N 3.49Å; R754-L758 VanDerWaalsContact O-N 3.07Å; V755-L758 PolarHBondContact O-N 2.96Å; L758-C761 PolarHBondContact O-N 3.26Å; L758-G762 PolarHBondContact O-N 3.4Å; L758-Q763 HydrophobicContact CD2-CB 4.3Å; L758-Q763 PolarHBondContact O-N 2.99Å; L758-L766 HydrophobicContact CD1-CB 4.23Å; L758-L766 HydrophobicContact CD2-CB 4.3Å; L758-A767 HydrophobicContact CB-CB 3.77Å
759	K	84	Confident	84.1	Confident	109 Å²	109	48.8 Å²	48.8	47%	0.474	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-47.3	173.2	-173.7	177.3	-176.2	171.2	0	111.4	V755 R756 I757 C761 G762 L783	V755-K759 WeakPolarHBondContact O-CB 3.09Å; V755-K759 PolarHBondContact O-N 2.95Å; R756-K759 PolarHBondContact O-N 3.21Å; I757-K759 VanDerWaalsContact C-N 3.31Å; I757-K759 PolarHBondContact O-N 3.41Å; K759-C761 VanDerWaalsContact C-N 3.28Å; K759-C761 PolarHBondContact O-N 3.48Å; K759-G762 PolarHBondContact O-N 2.95Å; K759-L783 HydrophobicContact CD-CD2 4.07Å; K759-L783 HydrophobicContact CG-CD2 4.12Å
760	N	84.1	Confident	84.1	Confident	117 Å²	117	48.8 Å²	48.8	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-64.6	-30.5	177.7	-71.3	-11.3	0	0	0	112.8	M738 R756 I757 G762	M738-N760 HydrophobicContact CE-CB 4.14Å; R756-N760 WeakPolarHBondContact O-CB 3.16Å; R756-N760 VanDerWaalsContact O-CG 3.25Å; R756-N760 PolarHBondContact O-N 2.88Å; I757-N760 PolarHBondContact O-N 2.9Å; N760-G762 VanDerWaalsContact C-N 3.25Å; N760-G762 PolarHBondContact O-N 3.06Å
761	C	82.8	Confident	84	Confident	64 Å²	64	46.9 Å²	46.9	43%	0.432	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2	173.5	-71.7	0	0	0	0	114.2	M738 I757 L758 K759 Q763	M738-C761 WeakPolarHBondContact CE-SG 3.49Å; I757-C761 PolarHBondContact O-N 2.96Å; I757-C761 PolarHBondContact O-SG 3.4Å; I757-C761 VanDerWaalsContact O-SG 3.41Å; L758-C761 PolarHBondContact O-N 3.26Å; K759-C761 VanDerWaalsContact C-N 3.28Å; K759-C761 PolarHBondContact O-N 3.48Å; C761-Q763 VanDerWaalsContact C-N 3.26Å; C761-Q763 HydrophobicContact CB-CG 4.39Å; C761-Q763 PolarHBondContact O-N 2.89Å
762	G	81.9	Confident	83.9	Confident	53 Å²	53	47 Å²	47	55%	0.546	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	8.8	-176.5	0	0	0	0	0	114.7	L758 K759 N760 K764	L758-G762 PolarHBondContact O-N 3.4Å; K759-G762 PolarHBondContact O-N 2.95Å; N760-G762 VanDerWaalsContact C-N 3.25Å; N760-G762 PolarHBondContact O-N 3.06Å; G762-K764 VanDerWaalsContact C-N 3.3Å; G762-K764 PolarHBondContact O-N 2.99Å; G762-K764 VanDerWaalsContact O-N 3.08Å
763	Q	83.1	Confident	83.7	Confident	93 Å²	93	46.9 Å²	46.9	44%	0.435	25%	0.251	S	S	.	.			trans	-86.6	66.1	179.8	-68.1	-68.2	-23.5	0	0	110.8	L758 C761 S765 L766 A767	L758-Q763 HydrophobicContact CD2-CB 4.3Å; L758-Q763 PolarHBondContact O-N 2.99Å; C761-Q763 VanDerWaalsContact C-N 3.26Å; C761-Q763 HydrophobicContact CB-CG 4.39Å; C761-Q763 PolarHBondContact O-N 2.89Å; Q763-S765 PolarHBondContact O-N 3.16Å; Q763-L766 HydrophobicContact CB-CB 4.39Å; Q763-L766 HydrophobicContact CB-CD1 4.37Å; Q763-L766 PolarHBondContact O-N 3.3Å; Q763-A767 WeakPolarHBondContact O-CB 3.43Å; Q763-A767 PolarHBondContact O-N 3.37Å
764	K	82.6	Confident	83.2	Confident	68 Å²	68	48.2 Å²	48.2	30%	0.296	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-41	-174.1	-60.5	178.7	-176.9	174.8	0	113.3	G762 A767 Y768 T786 F787	G762-K764 VanDerWaalsContact C-N 3.3Å; G762-K764 PolarHBondContact O-N 2.99Å; G762-K764 VanDerWaalsContact O-N 3.08Å; K764-A767 PolarHBondContact O-N 2.88Å; K764-Y768 WeakPolarHBondContact O-CB 3.14Å; K764-Y768 PolarHBondContact O-N 2.93Å; K764-T786 HydrophobicContact CD-CG2 4.34Å; K764-T786 PolarHBondContact NZ-O 3.15Å; K764-F787 VanDerWaalsContact C-CZ 3.48Å; K764-F787 HydrophobicContact CB-CE1 4.2Å; K764-F787 HydrophobicContact CB-CE2 4.22Å; K764-F787 HydrophobicContact CB-CZ 3.81Å; K764-F787 WeakPolarHBondContact O-CZ 3.24Å
765	S	83.2	Confident	82.8	Confident	49 Å²	49	49.4 Å²	49.4	34%	0.343	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-45.2	178.8	52	0	0	0	0	112.6	Q763 L769	Q763-S765 PolarHBondContact O-N 3.16Å; S765-L769 WeakPolarHBondContact O-CB 3.38Å; S765-L769 PolarHBondContact O-N 3.4Å
766	L	82.9	Confident	82.6	Confident	82 Å²	82	51.9 Å²	51.9	43%	0.429	29%	0.29	S	S	.	.	H	α-helix	trans	-73.1	-36.8	177.6	-68.4	172.8	0	0	0	112.2	L758 Q763 T770	L758-L766 HydrophobicContact CD1-CB 4.23Å; L758-L766 HydrophobicContact CD2-CB 4.3Å; Q763-L766 HydrophobicContact CB-CB 4.39Å; Q763-L766 HydrophobicContact CB-CD1 4.37Å; Q763-L766 PolarHBondContact O-N 3.3Å; L766-T770 VanDerWaalsContact O-CB 3.26Å; L766-T770 WeakPolarHBondContact O-CB 3.26Å; L766-T770 PolarHBondContact O-N 3.03Å; L766-T770 PolarHBondContact O-OG1 2.89Å
767	A	82.6	Confident	82.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-46.3	174.5	0	0	0	0	0	111	V755 L758 Q763 K764 T770 A771 L783	V755-A767 HydrophobicContact CG1-CB 4.4Å; L758-A767 HydrophobicContact CB-CB 3.77Å; Q763-A767 WeakPolarHBondContact O-CB 3.43Å; Q763-A767 PolarHBondContact O-N 3.37Å; K764-A767 PolarHBondContact O-N 2.88Å; A767-T770 PolarHBondContact O-N 3.09Å; A767-A771 WeakPolarHBondContact O-CB 3.36Å; A767-A771 PolarHBondContact O-N 3.26Å; A767-L783 HydrophobicContact CB-CD1 3.75Å; A767-L783 HydrophobicContact CB-CD2 4.28Å
768	Y	83.4	Confident	81.9	Confident	27 Å²	27	60.4 Å²	60.4	11%	0.106	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-49.3	176.4	173.1	-99.7	0	0	0	111.6	K764 T770 A771 A772 A780 L783 K784 F787 I794	K764-Y768 WeakPolarHBondContact O-CB 3.14Å; K764-Y768 PolarHBondContact O-N 2.93Å; Y768-T770 VanDerWaalsContact C-N 3.29Å; Y768-T770 PolarHBondContact O-N 3.35Å; Y768-A771 PolarHBondContact O-N 3.27Å; Y768-A772 VanDerWaalsContact O-CB 3.29Å; Y768-A772 WeakPolarHBondContact O-CB 3.41Å; Y768-A772 PolarHBondContact O-N 2.86Å; Y768-A780 HydrophobicContact CD2-CB 4.31Å; Y768-A780 VanDerWaalsContact CD2-O 3.3Å; Y768-A780 WeakPolarHBondContact CD2-O 3.46Å; Y768-A780 HydrophobicContact CE2-CB 4.25Å; Y768-A780 WeakPolarHBondContact CE2-O 3.42Å; Y768-L783 HydrophobicContact CD2-CB 4.47Å; Y768-K784 HydrophobicContact CD2-CB 4.2Å; Y768-K784 HydrophobicContact CE2-CB 3.88Å; Y768-K784 HydrophobicContact CE2-CD 4.27Å; Y768-K784 HydrophobicContact CE2-CG 4.28Å; Y768-F787 HydrophobicContact CG-CE2 4.36Å; Y768-I794 HydrophobicContact CD1-CG2 4.11Å; Y768-I794 HydrophobicContact CE1-CG2 3.42Å; Y768-I794 VanDerWaalsContact CE1-CG2 3.42Å
769	L	82.9	Confident	81.6	Confident	53 Å²	53	63 Å²	63	28%	0.277	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-39.7	179	-171.6	68.1	0	0	0	111.4	S765 T773 P795 I797	S765-L769 WeakPolarHBondContact O-CB 3.38Å; S765-L769 PolarHBondContact O-N 3.4Å; L769-T773 WeakPolarHBondContact O-CB 3.47Å; L769-T773 PolarHBondContact O-N 2.82Å; L769-T773 PolarHBondContact O-OG1 2.95Å; L769-P795 HydrophobicContact CD1-CB 4.45Å; L769-I797 HydrophobicContact CD1-CG1 4.44Å
770	T	82.1	Confident	81.4	Confident	16 Å²	16	58.1 Å²	58.1	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-67	-43.1	177.8	-56.2	0	0	0	0	111.4	V751 V755 L766 A767 Y768 H774	V751-T770 HydrophobicContact CG1-CG2 4.17Å; V755-T770 HydrophobicContact CG2-CG2 4.04Å; L766-T770 VanDerWaalsContact O-CB 3.26Å; L766-T770 WeakPolarHBondContact O-CB 3.26Å; L766-T770 PolarHBondContact O-N 3.03Å; L766-T770 PolarHBondContact O-OG1 2.89Å; A767-T770 PolarHBondContact O-N 3.09Å; Y768-T770 VanDerWaalsContact C-N 3.29Å; Y768-T770 PolarHBondContact O-N 3.35Å; T770-H774 WeakPolarHBondContact O-CB 3.26Å; T770-H774 PolarHBondContact O-CD2 2.78Å; T770-H774 PolarHBondContact O-N 3.02Å
771	A	83	Confident	81.2	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-48.6	177.3	0	0	0	0	0	111.9	V755 A767 Y768 H774 G775 L776 E779 A780	V755-A771 HydrophobicContact CG1-CB 4.38Å; V755-A771 HydrophobicContact CG2-CB 4Å; A767-A771 WeakPolarHBondContact O-CB 3.36Å; A767-A771 PolarHBondContact O-N 3.26Å; Y768-A771 PolarHBondContact O-N 3.27Å; A771-H774 PolarHBondContact O-N 2.8Å; A771-G775 PolarHBondContact O-N 3.29Å; A771-G775 VanDerWaalsContact O-N 3.16Å; A771-L776 HydrophobicContact CB-CB 4.14Å; A771-L776 PolarHBondContact O-N 2.87Å; A771-E779 HydrophobicContact CB-CB 4.45Å; A771-A780 HydrophobicContact CB-CB 3.96Å
772	A	80.9	Confident	81.2	Confident	20 Å²	20	56.5 Å²	56.5	17%	0.165	32%	0.319	C	S	.	.	H	α-helix	trans	-70.1	-35.7	-177.1	0	0	0	0	0	113.1	Y768 H774 A780 I797	Y768-A772 VanDerWaalsContact O-CB 3.29Å; Y768-A772 WeakPolarHBondContact O-CB 3.41Å; Y768-A772 PolarHBondContact O-N 2.86Å; A772-H774 VanDerWaalsContact C-N 3.25Å; A772-H774 PolarHBondContact O-N 2.84Å; A772-A780 HydrophobicContact CB-CB 4.14Å; A772-I797 HydrophobicContact CB-CD1 3.61Å; A772-I797 HydrophobicContact CB-CG1 4.21Å
773	T	81.3	Confident	81	Confident	40 Å²	40	54.2 Å²	54.2	25%	0.245	29%	0.294	C	S	.	.	H	α-helix	trans	-70.6	-22.9	176.8	-57.5	0	0	0	0	112.5	L769 A801	L769-T773 WeakPolarHBondContact O-CB 3.47Å; L769-T773 PolarHBondContact O-N 2.82Å; L769-T773 PolarHBondContact O-OG1 2.95Å; T773-A801 HydrophobicContact CG2-CB 3.41Å; T773-A801 VanDerWaalsContact CG2-CB 3.41Å
774	H	76.3	Confident	80.6	Confident	54 Å²	54	53.3 Å²	53.3	25%	0.25	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	8.2	-174	-62.3	-41.5	0	0	0	114	V751 T770 A771 A772 L803	V751-H774 HydrophobicContact CG1-CB 3.75Å; V751-H774 HydrophobicContact CG2-CB 4.42Å; T770-H774 WeakPolarHBondContact O-CB 3.26Å; T770-H774 PolarHBondContact O-CD2 2.78Å; T770-H774 PolarHBondContact O-N 3.02Å; A771-H774 PolarHBondContact O-N 2.8Å; A772-H774 VanDerWaalsContact C-N 3.25Å; A772-H774 PolarHBondContact O-N 2.84Å; H774-L803 WeakPolarHBondContact CE1-CD1 3.45Å
775	G	76.8	Confident	80.4	Confident	51 Å²	51	57.7 Å²	57.7	53%	0.526	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	24.2	172.7	0	0	0	0	0	115.4	A771 D777	A771-G775 PolarHBondContact O-N 3.29Å; A771-G775 VanDerWaalsContact O-N 3.16Å; G775-D777 PolarHBondContact O-N 2.77Å
776	L	81.8	Confident	80	Confident	55 Å²	55	58.4 Å²	58.4	29%	0.288	31%	0.313	S	S	.	.			trans	-92.2	70.1	172	-66	172.5	0	0	0	109.8	V751 V755 A771 E778 E779 A780	V751-L776 HydrophobicContact CB-CD1 4.34Å; V751-L776 HydrophobicContact CG1-CD1 3.77Å; V755-L776 HydrophobicContact CG2-CD1 4.27Å; A771-L776 HydrophobicContact CB-CB 4.14Å; A771-L776 PolarHBondContact O-N 2.87Å; L776-E778 VanDerWaalsContact C-N 3.35Å; L776-E778 PolarHBondContact O-N 3.25Å; L776-E779 HydrophobicContact CB-CB 4.43Å; L776-E779 PolarHBondContact O-N 3.09Å; L776-A780 WeakPolarHBondContact O-CB 3.32Å; L776-A780 PolarHBondContact O-N 3.27Å
777	D	78.1	Confident	79.8	Confident	120 Å²	120	55.5 Å²	55.5	64%	0.642	30%	0.296	S	S	*	.	H	α-helix	trans	-63.3	-36.4	-169.2	-61.6	-30.6	0	0	0	113.2	G775 A780 E781	G775-D777 PolarHBondContact O-N 2.77Å; D777-A780 PolarHBondContact O-N 3.44Å; D777-E781 PolarHBondContact O-N 2.98Å
778	E	80.6	Confident	79.3	Confident	177 Å²	177	58.5 Å²	58.5	83%	0.827	31%	0.313	S	S	*	.	H	α-helix	trans	-67.4	-43.2	178.9	-64.8	-177.6	175.1	0	0	112.4	L776 S782	L776-E778 VanDerWaalsContact C-N 3.35Å; L776-E778 PolarHBondContact O-N 3.25Å; E778-S782 PolarHBondContact O-N 2.85Å; E778-S782 VanDerWaalsContact O-N 3.14Å
779	E	78.9	Confident	78.4	Confident	75 Å²	75	63.1 Å²	63.1	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-72.2	-34.8	176.8	-67.1	-162.7	155.1	0	0	111.6	V755 A771 L776 L783	V755-E779 WeakPolarHBondContact CG1-OE2 3.34Å; A771-E779 HydrophobicContact CB-CB 4.45Å; L776-E779 HydrophobicContact CB-CB 4.43Å; L776-E779 PolarHBondContact O-N 3.09Å; E779-L783 WeakPolarHBondContact O-CB 3.39Å; E779-L783 WeakPolarHBondContact O-CD1 3.49Å; E779-L783 VanDerWaalsContact O-CG 3.26Å; E779-L783 WeakPolarHBondContact O-CG 3.25Å; E779-L783 PolarHBondContact O-N 3.1Å
780	A	79	Confident	77.3	Confident	7 Å²	7	69.2 Å²	69.2	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-45	175.4	0	0	0	0	0	111.6	Y768 A771 A772 L776 D777 L783 K784	Y768-A780 HydrophobicContact CD2-CB 4.31Å; Y768-A780 VanDerWaalsContact CD2-O 3.3Å; Y768-A780 WeakPolarHBondContact CD2-O 3.46Å; Y768-A780 HydrophobicContact CE2-CB 4.25Å; Y768-A780 WeakPolarHBondContact CE2-O 3.42Å; A771-A780 HydrophobicContact CB-CB 3.96Å; A772-A780 HydrophobicContact CB-CB 4.14Å; L776-A780 WeakPolarHBondContact O-CB 3.32Å; L776-A780 PolarHBondContact O-N 3.27Å; D777-A780 PolarHBondContact O-N 3.44Å; A780-L783 PolarHBondContact O-N 2.77Å; A780-K784 WeakPolarHBondContact O-CB 3.3Å; A780-K784 PolarHBondContact O-N 3.36Å
781	E	80.3	Confident	76.3	Confident	93 Å²	93	76.7 Å²	76.7	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-68	-39.7	178.4	-158.3	65.6	-161.5	0	0	111.4	D777 L783 K784 E785	D777-E781 PolarHBondContact O-N 2.98Å; E781-L783 VanDerWaalsContact C-N 3.33Å; E781-L783 PolarHBondContact O-N 3.04Å; E781-K784 WeakPolarHBondContact O-CB 3.37Å; E781-K784 PolarHBondContact O-N 3.43Å; E781-K784 IonicContact OE1-NZ 3.61Å; E781-K784 PolarHBondContact OE1-NZ 2.68Å; E781-K784 WeakPolarHBondContact OE2-CD 3.43Å; E781-K784 IonicContact OE2-NZ 3.92Å; E781-K784 PolarHBondContact OE2-NZ 2.71Å; E781-E785 PolarHBondContact O-N 3.25Å; E781-E785 VanDerWaalsContact O-N 3.11Å
782	S	82.6	Confident	75.5	Confident	54 Å²	54	80.9 Å²	80.9	38%	0.378	42%	0.423	S	S	.	.	H	α-helix	trans	-60.1	-40.5	173.1	177.9	0	0	0	0	112.7	E778 T786	E778-S782 PolarHBondContact O-N 2.85Å; E778-S782 VanDerWaalsContact O-N 3.14Å; S782-T786 PolarHBondContact O-OG1 2.95Å
783	L	78.4	Confident	74.9	Confident	4 Å²	4	86.3 Å²	86.3	2%	0.021	46%	0.455	C	S	.	.	H	α-helix	trans	-70.2	-37.2	177.5	-75	166.6	0	0	0	111.8	V755 K759 A767 Y768 E779 A780 E781 E785 T786 F787	V755-L783 HydrophobicContact CG1-CD1 3.82Å; K759-L783 HydrophobicContact CD-CD2 4.07Å; K759-L783 HydrophobicContact CG-CD2 4.12Å; A767-L783 HydrophobicContact CB-CD1 3.75Å; A767-L783 HydrophobicContact CB-CD2 4.28Å; Y768-L783 HydrophobicContact CD2-CB 4.47Å; E779-L783 WeakPolarHBondContact O-CB 3.39Å; E779-L783 WeakPolarHBondContact O-CD1 3.49Å; E779-L783 VanDerWaalsContact O-CG 3.26Å; E779-L783 WeakPolarHBondContact O-CG 3.25Å; E779-L783 PolarHBondContact O-N 3.1Å; A780-L783 PolarHBondContact O-N 2.77Å; E781-L783 VanDerWaalsContact C-N 3.33Å; E781-L783 PolarHBondContact O-N 3.04Å; L783-E785 PolarHBondContact O-N 3.16Å; L783-T786 VanDerWaalsContact O-CB 3.32Å; L783-T786 WeakPolarHBondContact O-CB 3.33Å; L783-T786 PolarHBondContact O-N 3.43Å; L783-T786 PolarHBondContact O-OG1 2.93Å; L783-F787 WeakPolarHBondContact O-CD2 3.49Å; L783-F787 VanDerWaalsContact O-CE2 3.29Å; L783-F787 WeakPolarHBondContact O-CE2 3.4Å
784	K	75.4	Confident	74.6	Confident	75 Å²	75	88.1 Å²	88.1	33%	0.326	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-39.4	177.4	-173.5	-178.3	167.9	-156.4	0	112.6	Y768 A780 E781 T786 F787 I794	Y768-K784 HydrophobicContact CD2-CB 4.2Å; Y768-K784 HydrophobicContact CE2-CB 3.88Å; Y768-K784 HydrophobicContact CE2-CD 4.27Å; Y768-K784 HydrophobicContact CE2-CG 4.28Å; A780-K784 WeakPolarHBondContact O-CB 3.3Å; A780-K784 PolarHBondContact O-N 3.36Å; E781-K784 WeakPolarHBondContact O-CB 3.37Å; E781-K784 PolarHBondContact O-N 3.43Å; E781-K784 IonicContact OE1-NZ 3.61Å; E781-K784 PolarHBondContact OE1-NZ 2.68Å; E781-K784 WeakPolarHBondContact OE2-CD 3.43Å; E781-K784 IonicContact OE2-NZ 3.92Å; E781-K784 PolarHBondContact OE2-NZ 2.71Å; K784-T786 PolarHBondContact O-N 2.99Å; K784-F787 PolarHBondContact O-N 2.85Å; K784-I794 HydrophobicContact CG-CD1 4.22Å
785	E	77.3	Confident	74.5	Confident	159 Å²	159	87.5 Å²	87.5	74%	0.743	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.3	173.3	-69.9	-178.7	172.1	0	0	113.3	E781 L783	E781-E785 PolarHBondContact O-N 3.25Å; E781-E785 VanDerWaalsContact O-N 3.11Å; L783-E785 PolarHBondContact O-N 3.16Å
786	T	74.8	Confident	74.5	Confident	65 Å²	65	92.8 Å²	92.8	40%	0.399	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.8	-177.6	-34.6	0	0	0	0	113.4	K764 S782 L783 K784	K764-T786 HydrophobicContact CD-CG2 4.34Å; K764-T786 PolarHBondContact NZ-O 3.15Å; S782-T786 PolarHBondContact O-OG1 2.95Å; L783-T786 VanDerWaalsContact O-CB 3.32Å; L783-T786 WeakPolarHBondContact O-CB 3.33Å; L783-T786 PolarHBondContact O-N 3.43Å; L783-T786 PolarHBondContact O-OG1 2.93Å; K784-T786 PolarHBondContact O-N 2.99Å
787	F	78.4	Confident	74.2	Confident	20 Å²	20	94 Å²	94	9%	0.088	49%	0.485	C	S	.	.	S	Bend	trans	-86.4	139.1	176	-74.2	-97.1	0	0	0	111.1	K764 Y768 L783 K784 P789 E792	K764-F787 VanDerWaalsContact C-CZ 3.48Å; K764-F787 HydrophobicContact CB-CE1 4.2Å; K764-F787 HydrophobicContact CB-CE2 4.22Å; K764-F787 HydrophobicContact CB-CZ 3.81Å; K764-F787 WeakPolarHBondContact O-CZ 3.24Å; Y768-F787 HydrophobicContact CG-CE2 4.36Å; L783-F787 WeakPolarHBondContact O-CD2 3.49Å; L783-F787 VanDerWaalsContact O-CE2 3.29Å; L783-F787 WeakPolarHBondContact O-CE2 3.4Å; K784-F787 PolarHBondContact O-N 2.85Å; F787-P789 WeakPolarHBondContact O-CD 3.49Å; F787-E792 HydrophobicContact CD1-CB 3.94Å; F787-E792 WeakPolarHBondContact CD1-OE2 3.48Å
788	D	72.9	Confident	74.2	Confident	64 Å²	64	92.8 Å²	92.8	34%	0.342	48%	0.479	S	S	.	.			trans	-82.7	113.2	173.5	-174.7	-10.4	0	0	0	109.7	E790 K791 E792	D788-E790 PolarHBondContact O-N 2.86Å; D788-E790 VanDerWaalsContact O-N 3.1Å; D788-E790 PolarHBondContact OD1-N 3.13Å; D788-E790 VanDerWaalsContact OD1-N 3.15Å; D788-K791 HydrophobicContact CB-CB 4.4Å; D788-K791 PolarHBondContact O-N 3.47Å; D788-E792 PolarHBondContact O-N 3.01Å
789	P	63.9	Low	73.8	Confident	124 Å²	124	90.4 Å²	90.4	81%	0.805	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.2	-176.6	-19.9	31.4	0	0	0	114.1	F787	F787-P789 WeakPolarHBondContact O-CD 3.49Å
790	E	60.4	Low	73.6	Confident	181 Å²	181	93.3 Å²	93.3	85%	0.846	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-16.3	-178.4	-67.5	-168.6	162.6	0	0	113.6	D788	D788-E790 PolarHBondContact O-N 2.86Å; D788-E790 VanDerWaalsContact O-N 3.1Å; D788-E790 PolarHBondContact OD1-N 3.13Å; D788-E790 VanDerWaalsContact OD1-N 3.15Å
791	K	61.4	Low	73.2	Confident	172 Å²	172	95.2 Å²	95.2	75%	0.748	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-25.7	-172.5	-73.5	178.8	-175.6	160.1	0	115.3	D788	D788-K791 HydrophobicContact CB-CB 4.4Å; D788-K791 PolarHBondContact O-N 3.47Å
792	E	65.6	Low	72.7	Confident	88 Å²	88	99.4 Å²	99.4	41%	0.411	53%	0.529	S	S	.	.			trans	-123	132.3	-171.3	-63	-178.5	161.4	0	0	111.3	F787 D788	F787-E792 HydrophobicContact CD1-CB 3.94Å; F787-E792 WeakPolarHBondContact CD1-OE2 3.48Å; D788-E792 PolarHBondContact O-N 3.01Å
793	T	69.1	Low	72	Confident	135 Å²	135	100 Å²	100	83%	0.828	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-94.2	131.1	178.7	-9.8	0	0	0	0	110.1	P795	T793-P795 WeakPolarHBondContact O-CD 3.35Å
794	I	73.8	Confident	71.4	Confident	78 Å²	78	107.3 Å²	107.3	40%	0.4	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-71.7	126.4	176.2	-59.1	171.9	0	0	0	108.6	Y768 K784	Y768-I794 HydrophobicContact CD1-CG2 4.11Å; Y768-I794 HydrophobicContact CE1-CG2 3.42Å; Y768-I794 VanDerWaalsContact CE1-CG2 3.42Å; K784-I794 HydrophobicContact CG-CD1 4.22Å
795	P	75.5	Confident	71	Confident	40 Å²	40	109.6 Å²	109.6	26%	0.26	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-68.9	139.1	177.6	-18.3	31.2	0	0	0	112.8	L769 T793	L769-P795 HydrophobicContact CD1-CB 4.45Å; T793-P795 WeakPolarHBondContact O-CD 3.35Å
796	D	76	Confident	70.6	Confident	162 Å²	162	104.3 Å²	104.3	87%	0.866	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-71.8	142.8	173.4	-65.1	-40.6	0	0	0	111.7
797	I	76.7	Confident	70.3	Confident	80 Å²	80	107 Å²	107	41%	0.41	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-89.3	130.8	179.1	-56.3	164	0	0	0	109.2	L769 A772 P799	L769-I797 HydrophobicContact CD1-CG1 4.44Å; A772-I797 HydrophobicContact CB-CD1 3.61Å; A772-I797 HydrophobicContact CB-CG1 4.21Å; I797-P799 WeakPolarHBondContact O-CD 3.4Å
798	D	76	Confident	69.8	Low	96 Å²	96	110.2 Å²	110.2	51%	0.513	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-77.6	120.4	173.9	-173.8	-16.9	0	0	0	110.6	N800 A801	D798-N800 PolarHBondContact O-N 3.5Å; D798-N800 VanDerWaalsContact O-N 3.15Å; D798-N800 PolarHBondContact OD1-N 3.34Å; D798-A801 HydrophobicContact CB-CB 4.39Å; D798-A801 WeakPolarHBondContact O-CB 3.38Å; D798-A801 PolarHBondContact O-N 2.94Å
799	P	73	Confident	69.7	Low	126 Å²	126	110 Å²	110	82%	0.818	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-19.4	178.7	-20.7	32	0	0	0	114.8	I797	I797-P799 WeakPolarHBondContact O-CD 3.4Å
800	N	75.3	Confident	69.9	Low	137 Å²	137	112.6 Å²	112.6	73%	0.733	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	2.6	-178.9	-69.2	-43.3	0	0	0	113.6	D798 K802	D798-N800 PolarHBondContact O-N 3.5Å; D798-N800 VanDerWaalsContact O-N 3.15Å; D798-N800 PolarHBondContact OD1-N 3.34Å; N800-K802 PolarHBondContact O-N 3.19Å
801	A	70.8	Confident	70.4	Confident	46 Å²	46	110.8 Å²	110.8	38%	0.38	61%	0.606	S	S	.	*			trans	-64.1	127	-179.4	0	0	0	0	0	110.9	T773 D798	T773-A801 HydrophobicContact CG2-CB 3.41Å; T773-A801 VanDerWaalsContact CG2-CB 3.41Å; D798-A801 HydrophobicContact CB-CB 4.39Å; D798-A801 WeakPolarHBondContact O-CB 3.38Å; D798-A801 PolarHBondContact O-N 2.94Å
802	K	68.7	Low	70.9	Confident	181 Å²	181	105.6 Å²	105.6	79%	0.787	59%	0.59	S	S	*	*			trans	-117.4	138.1	176.4	-68.9	-177.5	-178.7	-179.4	0	109.6	N800 L804	N800-K802 PolarHBondContact O-N 3.19Å; K802-L804 PolarHBondContact O-N 3.25Å; K802-L804 VanDerWaalsContact O-N 3.11Å
803	L	68.4	Low	71.1	Confident	67 Å²	67	104.3 Å²	104.3	35%	0.351	59%	0.586	S	S	.	*			trans	-65.2	112.6	172	179.9	65.4	0	0	0	109.2	V751 H774 Q805	V751-L803 HydrophobicContact CG2-CD1 4.15Å; H774-L803 WeakPolarHBondContact CE1-CD1 3.45Å; L803-Q805 HydrophobicContact CD2-CG 3.74Å; L803-Q805 HydrophobicContact CG-CG 3.88Å; L803-Q805 PolarHBondContact O-N 3.3Å
804	L	65.9	Low	71.1	Confident	157 Å²	157	103.2 Å²	103.2	82%	0.822	58%	0.575	S	S	*	*			trans	-82.1	90.5	169	-64.7	175.9	0	0	0	107.8	K802	K802-L804 PolarHBondContact O-N 3.25Å; K802-L804 VanDerWaalsContact O-N 3.11Å
805	Q	67.6	Low	71.2	Confident	124 Å²	124	104.5 Å²	104.5	58%	0.579	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-85.7	136.7	166.8	-88.9	169.4	-4.4	0	0	109.4	L803	L803-Q805 HydrophobicContact CD2-CG 3.74Å; L803-Q805 HydrophobicContact CG-CG 3.88Å; L803-Q805 PolarHBondContact O-N 3.3Å
806	P	67.9	Low	71	Confident	48 Å²	48	104.5 Å²	104.5	31%	0.312	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-58.4	141.7	164.9	24.5	-28.5	0	0	0	108.7	L717 Y747 A808	L717-P806 HydrophobicContact CD1-CB 4.37Å; Y747-P806 WeakPolarHBondContact O-CG 3.29Å; P806-A808 PolarHBondContact O-N 3.35Å
807	P	68.3	Low	70.7	Confident	121 Å²	121	101 Å²	101	79%	0.786	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-59	134.9	-179.6	24.8	-33	0	0	0	109.7
808	A	69.1	Low	70.3	Confident	87 Å²	87	103.3 Å²	103.3	72%	0.719	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-60.7	127.4	176.4	0	0	0	0	0	109.4	P806 I810	P806-A808 PolarHBondContact O-N 3.35Å; A808-I810 PolarHBondContact O-N 3.01Å
809	P	69.4	Low	69.8	Low	59 Å²	59	102.6 Å²	102.6	38%	0.383	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-62.9	127.7	177.7	24.2	-31.2	0	0	0	109.5	L722	L722-P809 HydrophobicContact CD1-CG 4.35Å; L722-P809 HydrophobicContact CD2-CG 4.49Å; L722-P809 HydrophobicContact CG-CG 4.35Å
810	I	69.6	Low	69.2	Low	179 Å²	179	99.9 Å²	99.9	92%	0.918	55%	0.553	S	S	*	*	S	Bend	trans	-74.3	-31.3	180	-60.2	172.6	0	0	0	110.6	A808	A808-I810 PolarHBondContact O-N 3.01Å
811	M	70.6	Confident	68.1	Low	143 Å²	143	100 Å²	100	70%	0.704	56%	0.559	S	S	*	*	S	Bend	trans	-149.3	131.3	177.8	-168.3	174	75.8	0	0	109.5
812	P	71.1	Confident	67.3	Low	64 Å²	64	100.2 Å²	100.2	42%	0.416	56%	0.556	S	S	.	*			trans	-67.7	142.4	170.5	29	-32.6	0	0	0	110.2	D814	P812-D814 PolarHBondContact O-N 3.46Å
813	L	70.8	Confident	66.4	Low	60 Å²	60	95.6 Å²	95.6	31%	0.314	55%	0.546	S	S	.	.			trans	-91.5	93.4	176	-82	150.5	0	0	0	109.8	T719	T719-L813 PolarHBondContact O-N 2.68Å
814	D	69.3	Low	65.7	Low	112 Å²	112	100.5 Å²	100.5	60%	0.599	57%	0.565	S	S	*	*			trans	-88	-20.9	177.5	-61.4	-36.8	0	0	0	112.9	Q697 P812	Q697-D814 PolarHBondContact NE2-O 3.34Å; P812-D814 PolarHBondContact O-N 3.46Å
815	T	74.6	Confident	65.1	Low	105 Å²	105	93.5 Å²	93.5	64%	0.644	53%	0.53	S	S	*	.	S	Bend	trans	-102.9	142.6	178.8	58.2	0	0	0	0	111.4	H696	H696-T815 PolarHBondContact CE1-O 3Å
816	N	72.3	Confident	64.4	Low	40 Å²	40	93.9 Å²	93.9	21%	0.214	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-47.3	146.1	173.5	-74.9	-49.4	0	0	0	112.1	N695 H696 Q697 L819	N695-N816 PolarHBondContact OD1-OD1 3.21Å; H696-N816 VanDerWaalsContact CE1-CA 3.46Å; H696-N816 WeakPolarHBondContact CE1-CA 3.4Å; H696-N816 PolarHBondContact N-OD1 3.47Å; Q697-N816 WeakPolarHBondContact CG-OD1 3.34Å; Q697-N816 PolarHBondContact N-OD1 2.99Å; Q697-N816 PolarHBondContact OE1-ND2 2.91Å; N816-L819 HydrophobicContact CB-CD2 4.28Å
817	W	69.8	Low	63.8	Low	88 Å²	88	92.2 Å²	92.2	33%	0.333	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-58.9	154.5	170.6	-65.7	-22.3	0	0	0	109.5	I718 L819	I718-W817 HydrophobicContact CG2-CH2 4.06Å; I718-W817 HydrophobicContact CG2-CZ2 3.68Å; W817-L819 PolarHBondContact O-N 2.93Å
818	P	68.5	Low	63.1	Low	129 Å²	129	90.8 Å²	90.8	84%	0.838	50%	0.501	S	S	*	.			trans	-47.9	108.3	175	-27.1	34.3	0	0	0	109.4	L820	P818-L820 PolarHBondContact O-N 3.37Å
819	L	65.1	Low	62.1	Low	82 Å²	82	88.9 Å²	88.9	43%	0.429	49%	0.489	S	S	.	.			trans	-65.4	135.2	-174.7	-64.1	174.8	0	0	0	107	N695 N816 W817 T821	N695-L819 HydrophobicContact CB-CD2 3.85Å; N816-L819 HydrophobicContact CB-CD2 4.28Å; W817-L819 PolarHBondContact O-N 2.93Å; L819-T821 PolarHBondContact O-N 3.46Å
820	L	59.3	Low	61.1	Low	68 Å²	68	88.5 Å²	88.5	36%	0.356	49%	0.486	S	S	.	.			trans	-54.9	131	171.8	-70.6	168.3	0	0	0	108.1	L692 Q693 P818 V822 F916	L692-L820 WeakPolarHBondContact O-CD1 3.26Å; Q693-L820 PolarHBondContact O-N 2.73Å; P818-L820 PolarHBondContact O-N 3.37Å; L820-V822 VanDerWaalsContact C-N 3.33Å; L820-V822 PolarHBondContact O-N 3.01Å; L820-F916 HydrophobicContact CB-CE2 3.93Å; L820-F916 HydrophobicContact CD1-CE2 3.53Å; L820-F916 HydrophobicContact CD1-CZ 3.61Å; L820-F916 HydrophobicContact CG-CE2 4.35Å
821	T	54.2	Low	60.1	Low	141 Å²	141	82 Å²	82	87%	0.865	45%	0.453	S	S	*	.			trans	-62.3	97.4	179.5	49.2	0	0	0	0	108.6	L819 S823	L819-T821 PolarHBondContact O-N 3.46Å; T821-S823 PolarHBondContact O-N 2.99Å
822	V	53.9	Low	59	Low	50 Å²	50	78.5 Å²	78.5	30%	0.303	45%	0.447	S	S	.	.			trans	-70.3	117.2	166.5	-173.3	0	0	0	0	105.2	Q693 L820 K824	Q693-V822 VanDerWaalsContact NE2-CG2 3.29Å; L820-V822 VanDerWaalsContact C-N 3.33Å; L820-V822 PolarHBondContact O-N 3.01Å; V822-K824 PolarHBondContact O-N 3.37Å
823	S	48.8	Very low	57.5	Low	83 Å²	83	79.4 Å²	79.4	58%	0.58	46%	0.455	S	S	*	.			trans	-59.5	107.6	171.1	50	0	0	0	0	107.3	T821 G825	T821-S823 PolarHBondContact O-N 2.99Å; S823-G825 PolarHBondContact O-N 3.19Å; S823-G825 VanDerWaalsContact O-N 3.17Å
824	K	53.3	Low	56	Low	171 Å²	171	84.8 Å²	84.8	74%	0.743	48%	0.476	S	S	*	.			trans	-55.7	123.6	169.5	-69.5	-171.4	177.5	-174.9	0	107.5	V822	V822-K824 PolarHBondContact O-N 3.37Å
825	G	53.8	Low	54.3	Low	9 Å²	9	82.5 Å²	82.5	9%	0.093	48%	0.479	C	S	.	.			trans	-53.4	145.8	179.2	0	0	0	0	0	112.2	E645 S823 F827 E828	E645-G825 WeakPolarHBondContact OE1-CA 3.47Å; E645-G825 PolarHBondContact OE1-N 3.46Å; E645-G825 WeakPolarHBondContact OE2-CA 3.29Å; S823-G825 PolarHBondContact O-N 3.19Å; S823-G825 VanDerWaalsContact O-N 3.17Å; G825-F827 PolarHBondContact O-N 2.76Å; G825-E828 WeakPolarHBondContact O-CB 3.31Å; G825-E828 PolarHBondContact O-N 3.13Å
826	F	52.9	Low	52.3	Low	133 Å²	133	87.2 Å²	87.2	58%	0.583	49%	0.49	S	S	*	.	H	α-helix	trans	-49.4	-32.9	174.8	173.7	-95	0	0	0	112.6	Y617 T830	Y617-F826 HydrophobicContact CD2-CE1 4.39Å; F826-T830 HydrophobicContact CE1-CG2 4.42Å; F826-T830 HydrophobicContact CE2-CG2 4.49Å; F826-T830 HydrophobicContact CZ-CG2 4.2Å; F826-T830 PolarHBondContact O-N 3.35Å; F826-T830 PolarHBondContact O-OG1 3.47Å
827	F	55.1	Low	50.2	Low	13 Å²	13	88.9 Å²	88.9	6%	0.057	52%	0.517	C	S	.	.	H	α-helix	trans	-74	-28.3	179.1	-70.7	-72.4	0	0	0	114.1	Y617 L621 V646 G825 T830 I831	Y617-F827 HydrophobicContact CD1-CE1 4.5Å; Y617-F827 HydrophobicContact CD1-CE2 4.39Å; Y617-F827 AromaticContact CD1-CZ 3.64Å; Y617-F827 HydrophobicContact CD1-CZ 3.64Å; Y617-F827 HydrophobicContact CE1-CZ 4.42Å; Y617-F827 HydrophobicContact CG-CZ 4.08Å; L621-F827 HydrophobicContact CD1-CD1 3.87Å; L621-F827 HydrophobicContact CD1-CE1 3.95Å; L621-F827 HydrophobicContact CD2-CD1 3.72Å; L621-F827 HydrophobicContact CD2-CE1 4.01Å; L621-F827 HydrophobicContact CG-CD1 3.9Å; L621-F827 HydrophobicContact CG-CE1 3.78Å; V646-F827 HydrophobicContact CG2-CD1 4.49Å; V646-F827 HydrophobicContact CG2-CD2 3.49Å; V646-F827 VanDerWaalsContact CG2-CD2 3.49Å; V646-F827 HydrophobicContact CG2-CE1 4.45Å; V646-F827 HydrophobicContact CG2-CE2 3.44Å; V646-F827 VanDerWaalsContact CG2-CE2 3.44Å; V646-F827 HydrophobicContact CG2-CG 4.02Å; V646-F827 HydrophobicContact CG2-CZ 3.94Å; G825-F827 PolarHBondContact O-N 2.76Å; F827-T830 PolarHBondContact O-OG1 3.31Å; F827-I831 WeakPolarHBondContact O-CB 3.5Å; F827-I831 VanDerWaalsContact O-CD1 3.31Å; F827-I831 WeakPolarHBondContact O-CD1 3.35Å; F827-I831 WeakPolarHBondContact O-CG1 3.5Å; F827-I831 PolarHBondContact O-N 3.46Å
828	E	53.3	Low	48.3	Very low	90 Å²	90	88 Å²	88	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-72.6	-41.5	-178.2	-153.3	173.9	-152	0	0	110.8	G825 A832	G825-E828 WeakPolarHBondContact O-CB 3.31Å; G825-E828 PolarHBondContact O-N 3.13Å; E828-A832 VanDerWaalsContact O-CB 3.3Å; E828-A832 WeakPolarHBondContact O-CB 3.32Å; E828-A832 PolarHBondContact O-N 3.03Å; E828-A832 VanDerWaalsContact O-N 3.14Å
829	G	48.9	Very low	46.2	Very low	47 Å²	47	87 Å²	87	49%	0.485	54%	0.538	S	S	.	.	H	α-helix	trans	-72.4	-33.4	177.6	0	0	0	0	0	114.8	S833	G829-S833 WeakPolarHBondContact O-CB 3.25Å; G829-S833 PolarHBondContact O-N 3.2Å; G829-S833 PolarHBondContact O-OG 3.24Å
830	T	47.5	Very low	44.4	Very low	51 Å²	51	91.7 Å²	91.7	31%	0.313	56%	0.562	S	S	.	*	H	α-helix	trans	-80.2	-26.8	179.7	41.3	0	0	0	0	113.2	F826 F827 S833	F826-T830 HydrophobicContact CE1-CG2 4.42Å; F826-T830 HydrophobicContact CE2-CG2 4.49Å; F826-T830 HydrophobicContact CZ-CG2 4.2Å; F826-T830 PolarHBondContact O-N 3.35Å; F826-T830 PolarHBondContact O-OG1 3.47Å; F827-T830 PolarHBondContact O-OG1 3.31Å; T830-S833 WeakPolarHBondContact CA-OG 3.36Å; T830-S833 PolarHBondContact O-OG 2.86Å
831	I	50	Low	43	Very low	42 Å²	42	92.7 Å²	92.7	22%	0.215	58%	0.58	C	S	.	*	H	α-helix	trans	-81.8	-40	175.6	-65.2	170.9	0	0	0	110.8	L621 F827 S833 K834 G835	L621-I831 HydrophobicContact CD2-CD1 3.8Å; L621-I831 HydrophobicContact CD2-CG1 4.3Å; F827-I831 WeakPolarHBondContact O-CB 3.5Å; F827-I831 VanDerWaalsContact O-CD1 3.31Å; F827-I831 WeakPolarHBondContact O-CD1 3.35Å; F827-I831 WeakPolarHBondContact O-CG1 3.5Å; F827-I831 PolarHBondContact O-N 3.46Å; I831-S833 VanDerWaalsContact C-N 3.33Å; I831-S833 PolarHBondContact O-N 3.16Å; I831-K834 PolarHBondContact O-N 3.01Å; I831-G835 PolarHBondContact O-N 3.34Å
832	A	46.6	Very low	41.6	Very low	71 Å²	71	90.3 Å²	90.3	59%	0.587	58%	0.575	S	S	*	*	H	α-helix	trans	-65.2	-34.1	176.4	0	0	0	0	0	112.9	E828	E828-A832 VanDerWaalsContact O-CB 3.3Å; E828-A832 WeakPolarHBondContact O-CB 3.32Å; E828-A832 PolarHBondContact O-N 3.03Å; E828-A832 VanDerWaalsContact O-N 3.14Å
833	S	40.2	Very low	40.2	Very low	82 Å²	82	95.4 Å²	95.4	57%	0.573	60%	0.601	S	S	*	*	H	α-helix	trans	-75.1	-22	-179.9	51.9	0	0	0	0	114.7	G829 T830 I831	G829-S833 WeakPolarHBondContact O-CB 3.25Å; G829-S833 PolarHBondContact O-N 3.2Å; G829-S833 PolarHBondContact O-OG 3.24Å; T830-S833 WeakPolarHBondContact CA-OG 3.36Å; T830-S833 PolarHBondContact O-OG 2.86Å; I831-S833 VanDerWaalsContact C-N 3.33Å; I831-S833 PolarHBondContact O-N 3.16Å
834	K	39.5	Very low	39.1	Very low	174 Å²	174	98.7 Å²	98.7	76%	0.757	61%	0.61	S	S	*	*	H	α-helix	trans	-105.6	-2.4	178.2	-76.9	-174.5	177.4	176.6	0	114.6	I831 K836	I831-K834 PolarHBondContact O-N 3.01Å; K834-K836 VanDerWaalsContact C-N 3.34Å
835	G	32.8	Very low	37.6	Very low	64 Å²	64	96.8 Å²	96.8	66%	0.66	61%	0.608	S	S	*	*	S	Bend	trans	-76.4	-16.2	172	0	0	0	0	0	114.3	I831 G837	I831-G835 PolarHBondContact O-N 3.34Å; G835-G837 VanDerWaalsContact C-N 3.26Å; G835-G837 PolarHBondContact O-N 3.37Å; G835-G837 VanDerWaalsContact O-N 3.16Å
836	K	32.1	Very low	36.5	Very low	204 Å²	204	104.5 Å²	104.5	89%	0.887	65%	0.645	S	S	*	*			trans	-88	55.5	175	-75.1	-170.3	173	-173	0	112	K834	K834-K836 VanDerWaalsContact C-N 3.34Å
837	G	29.5	Very low	35.1	Very low	75 Å²	75	104 Å²	104	77%	0.773	65%	0.648	S	S	*	*			trans	-126.2	57.6	177.8	0	0	0	0	0	111.1	G835	G835-G837 VanDerWaalsContact C-N 3.26Å; G835-G837 PolarHBondContact O-N 3.37Å; G835-G837 VanDerWaalsContact O-N 3.16Å
838	G	28.3	Very low	34	Very low	69 Å²	69	109.7 Å²	109.7	71%	0.711	69%	0.685	S	S	*	*	S	Bend	trans	163	114	176.1	0	0	0	0	0	112.3
839	A	25.6	Very low	32.6	Very low	109 Å²	109	112 Å²	112	90%	0.901	71%	0.705	S	S	*	*	S	Bend	trans	83.1	125.4	179.6	0	0	0	0	0	116
840	L	26.7	Very low	31.5	Very low	179 Å²	179	112.3 Å²	112.3	94%	0.937	71%	0.708	S	S	*	*			trans	-54.7	140.5	-173.5	-75.1	128.3	0	0	0	112.9
841	A	30.1	Very low	30.6	Very low	90 Å²	90	117 Å²	117	74%	0.744	74%	0.736	S	S	*	*			trans	-67.5	137.8	172.8	0	0	0	0	0	111.2
842	A	24.9	Very low	29.4	Very low	91 Å²	91	122.4 Å²	122.4	75%	0.752	76%	0.761	S	S	*	*			trans	-103	113.1	137.2	0	0	0	0	0	105.4	I844	A842-I844 PolarHBondContact O-N 2.97Å
843	D	24.5	Very low	28.5	Very low	157 Å²	157	122.2 Å²	122.2	84%	0.84	77%	0.766	S	S	*	*			trans	-56.7	120.1	158.7	-83.4	-35.4	0	0	0	107
844	I	25.1	Very low	28.4	Very low	151 Å²	151	130.2 Å²	130.2	77%	0.774	78%	0.784	S	S	*	*			trans	-90.1	114.4	155.4	-68.3	174.2	0	0	0	104.5	A842	A842-I844 PolarHBondContact O-N 2.97Å
845	D	22.2	Very low	28.2	Very low	132 Å²	132	125.1 Å²	125.1	71%	0.706	78%	0.78	S	S	*	*			trans	-40.9	145.7	167.1	-100	-46.2	0	0	0	112.1	D847	D845-D847 PolarHBondContact O-N 3.35Å
846	I	31.7	Very low	28.3	Very low	170 Å²	170	130.5 Å²	130.5	87%	0.872	79%	0.788	S	S	*	*	S	Bend	trans	-63.3	82.5	159.2	-67.2	161	0	0	0	106.4
847	D	22.5	Very low	28.5	Very low	122 Å²	122	127.9 Å²	127.9	65%	0.652	78%	0.784	S	S	*	*			trans	-137	106.6	162.8	-98.8	-21.6	0	0	0	107.6	D845 V849	D845-D847 PolarHBondContact O-N 3.35Å; D847-V849 PolarHBondContact O-N 2.97Å; D847-V849 VanDerWaalsContact O-N 3.09Å
848	T	32.2	Very low	28.6	Very low	134 Å²	134	129 Å²	129	82%	0.822	79%	0.785	S	S	*	*			trans	35.3	68.3	149.4	48.1	0	0	0	0	115.6	G850	T848-G850 PolarHBondContact O-N 3.36Å; T848-G850 VanDerWaalsContact O-N 3.17Å
849	V	23.8	Very low	28.7	Very low	139 Å²	139	133 Å²	133	84%	0.842	79%	0.786	S	S	*	*			trans	-74.9	105.7	156.1	-176.9	0	0	0	0	105.8	D847 T851	D847-V849 PolarHBondContact O-N 2.97Å; D847-V849 VanDerWaalsContact O-N 3.09Å; V849-T851 PolarHBondContact O-N 2.69Å
850	G	26	Very low	29	Very low	53 Å²	53	134.6 Å²	134.6	55%	0.546	78%	0.778	S	S	.	*			trans	-43.5	127.8	-174.3	0	0	0	0	0	112.2	T848 E852	T848-G850 PolarHBondContact O-N 3.36Å; T848-G850 VanDerWaalsContact O-N 3.17Å; G850-E852 PolarHBondContact O-N 3.08Å
851	T	27.7	Very low	29.2	Very low	148 Å²	148	133.2 Å²	133.2	91%	0.908	77%	0.767	S	S	*	*			trans	-52.5	77.9	138.4	38.8	0	0	0	0	108	V849 G853	V849-T851 PolarHBondContact O-N 2.69Å; T851-G853 VanDerWaalsContact C-N 3.27Å; T851-G853 PolarHBondContact O-N 3.34Å
852	E	26	Very low	29.6	Very low	157 Å²	157	135.4 Å²	135.4	73%	0.734	77%	0.766	S	S	*	*			trans	-61.8	103.6	154	-77.4	-173.3	166.4	0	0	104.8	G850 W854	G850-E852 PolarHBondContact O-N 3.08Å; E852-W854 PolarHBondContact O-N 3.29Å
853	G	28.1	Very low	29.9	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	77%	0.765	S	S	*	*			trans	-52.7	113.1	165.2	0	0	0	0	0	107	T851 G855	T851-G853 VanDerWaalsContact C-N 3.27Å; T851-G853 PolarHBondContact O-N 3.34Å; G853-G855 PolarHBondContact O-N 3.21Å
854	W	37.3	Very low	30.7	Very low	250 Å²	250	139.1 Å²	139.1	95%	0.947	77%	0.767	S	S	*	*	S	Bend	trans	-72.7	66.6	166.3	-76.5	82.6	0	0	0	108.5	E852	E852-W854 PolarHBondContact O-N 3.29Å
855	G	36.1	Very low	31.1	Very low	66 Å²	66	139.7 Å²	139.7	68%	0.68	77%	0.771	S	S	*	*			trans	-145	28.2	-173.2	0	0	0	0	0	111	G853	G853-G855 PolarHBondContact O-N 3.21Å
856	E	34.9	Very low	32	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	77%	0.774	S	S	*	*	S	Bend	trans	-142.8	132.3	159.7	-104.1	165.9	-166.1	0	0	107.6
857	D	35.1	Very low	31.8	Very low	149 Å²	149	138.4 Å²	138.4	80%	0.797	78%	0.775	S	S	*	*			trans	73.4	56.3	175.3	-53.4	-14.1	0	0	0	118.6
858	A	31.5	Very low	32.3	Very low	98 Å²	98	137.9 Å²	137.9	81%	0.81	78%	0.776	S	S	*	*			trans	-118.2	74.8	130.4	0	0	0	0	0	107.7	L860	A858-L860 PolarHBondContact O-N 3.41Å
859	E	30.5	Very low	31.9	Very low	154 Å²	154	140.4 Å²	140.4	72%	0.72	78%	0.778	S	S	*	*			trans	-51.1	113.7	153.1	-79.7	-168.7	152.2	0	0	106.6	Q861	E859-Q861 HydrophobicContact CB-CG 4.49Å; E859-Q861 PolarHBondContact O-N 3.38Å
860	L	33.2	Very low	32.8	Very low	142 Å²	142	137.9 Å²	137.9	74%	0.743	77%	0.772	S	S	*	*			trans	-60.5	84.6	154.4	-87.1	154.2	0	0	0	105.7	A858 L862	A858-L860 PolarHBondContact O-N 3.41Å; L860-L862 PolarHBondContact O-N 3.06Å
861	Q	29.8	Very low	32.8	Very low	151 Å²	151	142.5 Å²	142.5	71%	0.706	79%	0.79	S	S	*	*			trans	-61.4	96.2	163.2	-84.2	-178.4	-12.5	0	0	106.6	E859 D863	E859-Q861 HydrophobicContact CB-CG 4.49Å; E859-Q861 PolarHBondContact O-N 3.38Å; Q861-D863 PolarHBondContact O-N 3Å
862	L	38.1	Very low	32.9	Very low	136 Å²	136	144.8 Å²	144.8	71%	0.712	79%	0.79	S	S	*	*			trans	-80.2	92.6	160.3	-81.5	162.8	0	0	0	106	L860	L860-L862 PolarHBondContact O-N 3.06Å
863	D	30.7	Very low	32.8	Very low	137 Å²	137	141.2 Å²	141.2	73%	0.733	80%	0.795	S	S	*	*			trans	-109.3	127.7	163	-75.3	-17.2	0	0	0	110	Q861 D865	Q861-D863 PolarHBondContact O-N 3Å; D863-D865 PolarHBondContact O-N 3.36Å
864	E	42.6	Very low	32.8	Very low	188 Å²	188	147 Å²	147	88%	0.879	81%	0.809	S	S	*	*	S	Bend	trans	-64.9	100	166.5	-79.2	-179.7	136.3	0	0	108.6
865	D	32.8	Very low	32.2	Very low	163 Å²	163	139 Å²	139	87%	0.872	81%	0.805	S	S	*	*	S	Bend	trans	149.8	133.3	141.2	-74.8	-27.4	0	0	0	111.3	D863	D863-D865 PolarHBondContact O-N 3.36Å
866	G	42.1	Very low	31.7	Very low	74 Å²	74	143.3 Å²	143.3	76%	0.763	81%	0.812	S	S	*	*			trans	-78.1	159.5	-165.7	0	0	0	0	0	117.6
867	F	26.5	Very low	31.3	Very low	202 Å²	202	141.6 Å²	141.6	89%	0.886	81%	0.808	S	S	*	*			trans	105.3	110.9	164.6	-85.7	-95.5	0	0	0	120.1
868	V	32.6	Very low	30.9	Very low	111 Å²	111	138 Å²	138	67%	0.673	80%	0.8	S	S	*	*			trans	50.1	123.8	130.1	-169.6	0	0	0	0	120.9
869	E	25.5	Very low	30.6	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	81%	0.805	S	S	*	*				161.2	162.3	93.5	-139	160.4	-150.2	0	0	113
870	A	41.4	Very low	30.4	Very low	86 Å²	86	137.8 Å²	137.8	71%	0.711	81%	0.805	S	S	*	*			trans	-87.2	154.9	-175.8	0	0	0	0	0	114
871	T	25.4	Very low	30	Very low	150 Å²	150	141.6 Å²	141.6	92%	0.92	82%	0.816	S	S	*	*			trans	-162.5	147.1	148.7	-4.9	0	0	0	0	114.7
872	E	30	Very low	29.7	Very low	196 Å²	196	137.8 Å²	137.8	92%	0.916	82%	0.817	S	S	*	*			trans	-77	168.3	-174.7	-56.3	172.8	140.5	0	0	115
873	G	25.5	Very low	29.1	Very low	81 Å²	81	139.3 Å²	139.3	84%	0.835	82%	0.821	S	S	*	*			trans	179.4	110.5	159.6	0	0	0	0	0	116
874	L	27.3	Very low	28.8	Very low	188 Å²	188	140 Å²	140	98%	0.984	82%	0.819	S	S	*	*			trans	-70.7	163.9	178.4	-68.8	141.2	0	0	0	115
875	G	25.1	Very low	27.9	Very low	83 Å²	83	139.7 Å²	139.7	86%	0.856	82%	0.818	S	S	*	*			trans	165.2	113.5	153.4	0	0	0	0	0	116.1
876	D	25.9	Very low	27.5	Very low	156 Å²	156	135.9 Å²	135.9	83%	0.834	82%	0.817	S	S	*	*			trans	-89	177.9	-178.3	-161.4	5.6	0	0	0	113.1
877	D	26.2	Very low	26.6	Very low	141 Å²	141	136.5 Å²	136.5	75%	0.754	82%	0.824	S	S	*	*			trans	106.1	105	153	-81.6	-27.4	0	0	0	121.8
878	A	26	Very low	26.5	Very low	74 Å²	74	130.5 Å²	130.5	61%	0.612	82%	0.819	S	S	*	*				102.4	125.2	102.9	0	0	0	0	0	123.2
879	L	26.1	Very low	26.1	Very low	178 Å²	178	137 Å²	137	93%	0.932	83%	0.831	S	S	*	*			trans	87.1	128.2	134.5	-71.8	159.8	0	0	0	123
880	G	24.9	Very low	26	Very low	70 Å²	70	135 Å²	135	72%	0.722	83%	0.827	S	S	*	*			trans	153.1	83.5	133.9	0	0	0	0	0	121.8
881	K	25.4	Very low	25.3	Very low	222 Å²	222	135.5 Å²	135.5	97%	0.965	82%	0.821	S	S	*	*			trans	53.8	137.3	134.4	-71.2	-172.1	173.8	-176.8	0	125.1
882	G	24.6	Very low	25.2	Very low	71 Å²	71	137.1 Å²	137.1	73%	0.732	82%	0.818	S	S	*	*			trans	150.8	88.4	135.8	0	0	0	0	0	117.4
883	Q	24.2	Very low	25.3	Very low	167 Å²	167	135.9 Å²	135.9	78%	0.78	81%	0.813	S	S	*	*				66.4	110.2	118	-90.4	-173.9	-50.6	0	0	118.8
884	E	24.9	Very low	25.3	Very low	152 Å²	152	138.4 Å²	138.4	71%	0.71	81%	0.807	S	S	*	*				80.7	135.6	102.7	-80.8	176.7	166.1	0	0	112.6
885	E	24.5	Very low	25.3	Very low	181 Å²	181	136 Å²	136	85%	0.846	79%	0.794	S	S	*	*			cis	-175.5	153.9	41.5	-140.2	178.5	-159.9	0	0	112
886	G	23.6	Very low	25.4	Very low	83 Å²	83	140 Å²	140	86%	0.856	79%	0.791	S	S	*	*			trans	90.3	126.4	152.3	0	0	0	0	0	117.7
887	G	23.5	Very low	25.7	Very low	87 Å²	87	140.7 Å²	140.7	90%	0.897	79%	0.793	S	S	*	*			cis	145.4	139.1	9.6	0	0	0	0	0	109.1
888	G	23.9	Very low	25.9	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	79%	0.793	S	S	*	*			trans	137.9	111.9	161.5	0	0	0	0	0	116.2
889	W	23.6	Very low	26.5	Very low	246 Å²	246	141.7 Å²	141.7	93%	0.932	80%	0.802	S	S	*	*			trans	-94.9	159.1	-177.5	-78	51.5	0	0	0	113.2
890	D	24.2	Very low	26.7	Very low	145 Å²	145	142.6 Å²	142.6	78%	0.775	80%	0.801	S	S	*	*			trans	133.9	148.6	143.6	-84.7	-7.4	0	0	0	113
891	V	25.9	Very low	27.2	Very low	98 Å²	98	147.6 Å²	147.6	59%	0.594	81%	0.81	S	S	*	*			cis	-172.2	154.1	-26.9	133.9	0	0	0	0	104.1
892	E	24	Very low	27.2	Very low	183 Å²	183	144.2 Å²	144.2	86%	0.855	80%	0.802	S	S	*	*			trans	79.9	158.9	154.8	-86.8	159.4	-150.3	0	0	124.1
893	E	31.8	Very low	27.4	Very low	171 Å²	171	149 Å²	149	80%	0.799	81%	0.81	S	S	*	*			trans	-87.6	172.3	-152.6	-65.9	172.9	134	0	0	116
894	D	26.4	Very low	27.4	Very low	134 Å²	134	145.4 Å²	145.4	72%	0.717	80%	0.803	S	S	*	*			trans	102.9	125.8	142.3	-81.8	-11.9	0	0	0	122.6
895	L	27.7	Very low	28	Very low	136 Å²	136	144.7 Å²	144.7	71%	0.712	81%	0.812	S	S	*	*			trans	58.9	142.5	150.7	-83.6	80.4	0	0	0	117.7
896	E	25.3	Very low	28	Very low	168 Å²	168	139.7 Å²	139.7	79%	0.785	81%	0.809	S	S	*	*			cis	-172.9	145	46	-140.1	160.9	-141.3	0	0	109.3
897	L	32.2	Very low	28	Very low	170 Å²	170	140.6 Å²	140.6	89%	0.89	81%	0.808	S	S	*	*			trans	-78.3	133.1	174.6	-82.3	155.2	0	0	0	111.4
898	P	30.5	Very low	28.4	Very low	116 Å²	116	142.1 Å²	142.1	75%	0.753	81%	0.812	S	S	*	*			trans	-80.2	142.2	167.4	-15.7	31.3	0	0	0	113	E900	P898-E900 PolarHBondContact O-N 3.21Å
899	P	38.4	Very low	28.5	Very low	121 Å²	121	141.4 Å²	141.4	79%	0.786	81%	0.805	S	S	*	*			trans	-96.4	91.9	-172.3	36.5	-30.5	0	0	0	112.2
900	E	32.2	Very low	28.7	Very low	197 Å²	197	133.5 Å²	133.5	92%	0.921	80%	0.799	S	S	*	*			trans	-142.1	67	160.1	-72.2	-165.6	170	0	0	110.3	P898	P898-E900 PolarHBondContact O-N 3.21Å
901	L	35.1	Very low	29	Very low	175 Å²	175	131.4 Å²	131.4	92%	0.916	80%	0.803	S	S	*	*			trans	-100	87.4	161.2	-96.1	159.5	0	0	0	107.7
902	D	25.1	Very low	29.2	Very low	150 Å²	150	135.4 Å²	135.4	80%	0.802	82%	0.815	S	S	*	*			trans	-149.4	82.9	163.7	-125.8	-4.2	0	0	0	110
903	I	28	Very low	29.8	Very low	172 Å²	172	133 Å²	133	88%	0.882	81%	0.808	S	S	*	*			trans	-93.5	99.3	163.4	-57.3	175	0	0	0	107.1
904	S	23.6	Very low	30.2	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	81%	0.805	S	S	*	*			trans	-60.7	150.6	167.7	-74.4	0	0	0	0	111.8	G906	S904-G906 PolarHBondContact O-N 3.43Å
905	P	39.4	Very low	31	Very low	137 Å²	137	126.5 Å²	126.5	89%	0.89	79%	0.791	S	S	*	*			trans	-80.8	116.8	-173.3	32.3	-31.6	0	0	0	110.8
906	G	23	Very low	31.7	Very low	76 Å²	76	124 Å²	124	78%	0.784	78%	0.775	S	S	*	*			trans	-177.7	85.9	176.2	0	0	0	0	0	114.9	S904	S904-G906 PolarHBondContact O-N 3.43Å
907	A	23.8	Very low	32.7	Very low	101 Å²	101	120.7 Å²	120.7	84%	0.835	77%	0.765	S	S	*	*			trans	164	92.9	137.4	0	0	0	0	0	108.9	G909	A907-G909 PolarHBondContact O-N 3.48Å
908	A	32.9	Very low	33.3	Very low	119 Å²	119	115.4 Å²	115.4	98%	0.983	74%	0.741	S	S	*	*			trans	-68	97.3	164.9	0	0	0	0	0	109.1
909	G	25.5	Very low	34	Very low	63 Å²	63	115 Å²	115	65%	0.649	74%	0.738	S	S	*	*			trans	-127.4	115.2	158	0	0	0	0	0	106.3	A907 A911	A907-G909 PolarHBondContact O-N 3.48Å; G909-A911 PolarHBondContact O-N 2.98Å; G909-A911 VanDerWaalsContact O-N 3.08Å
910	G	28.6	Very low	34.8	Very low	79 Å²	79	114.8 Å²	114.8	81%	0.814	74%	0.735	S	S	*	*			trans	-43.9	112.6	-167	0	0	0	0	0	114	E912	G910-E912 PolarHBondContact O-N 3.39Å
911	A	28.7	Very low	36.1	Very low	102 Å²	102	115.2 Å²	115.2	84%	0.843	73%	0.734	S	S	*	*			trans	-69.1	89.9	152.7	0	0	0	0	0	106	G909	G909-A911 PolarHBondContact O-N 2.98Å; G909-A911 VanDerWaalsContact O-N 3.08Å
912	E	31.9	Very low	37.4	Very low	181 Å²	181	109.9 Å²	109.9	85%	0.846	72%	0.721	S	S	*	*			trans	-66.4	142.8	157.7	-77.3	-164	160.3	0	0	108.2	G910	G910-E912 PolarHBondContact O-N 3.39Å
913	D	35.8	Very low	39.8	Very low	134 Å²	134	106.3 Å²	106.3	72%	0.717	71%	0.705	S	S	*	*			trans	-44.1	150.4	-172	-64.3	-58.2	0	0	0	114.4	F915	D913-F915 HydrophobicContact CB-CD2 4.13Å; D913-F915 HydrophobicContact CB-CE2 4.46Å; D913-F915 PolarHBondContact O-N 3.2Å
914	G	39.6	Very low	42.2	Very low	71 Å²	71	100.5 Å²	100.5	73%	0.732	68%	0.68	S	S	*	*	S	Bend	trans	-61.5	72	-178.8	0	0	0	0	0	114.4
915	F	42.9	Very low	44.9	Very low	96 Å²	96	98.7 Å²	98.7	42%	0.421	67%	0.666	S	S	.	*			trans	-123	143.2	170.6	-78.1	-77.5	0	0	0	110.4	P644 D913 V917	P644-F915 HydrophobicContact CG-CE1 4.34Å; D913-F915 HydrophobicContact CB-CD2 4.13Å; D913-F915 HydrophobicContact CB-CE2 4.46Å; D913-F915 PolarHBondContact O-N 3.2Å; F915-V917 PolarHBondContact O-N 3.44Å
916	F	43.4	Very low	47.1	Very low	85 Å²	85	93.8 Å²	93.8	37%	0.373	63%	0.633	S	S	.	*			trans	-63.2	98.6	165.7	178.2	-99.9	0	0	0	109.3	L820 P918	L820-F916 HydrophobicContact CB-CE2 3.93Å; L820-F916 HydrophobicContact CD1-CE2 3.53Å; L820-F916 HydrophobicContact CD1-CZ 3.61Å; L820-F916 HydrophobicContact CG-CE2 4.35Å; F916-P918 HydrophobicContact CE1-CB 4.2Å; F916-P918 HydrophobicContact CZ-CB 4.36Å
917	V	46.5	Very low	50.1	Low	98 Å²	98	95.2 Å²	95.2	59%	0.594	62%	0.619	S	S	*	*			trans	-96.4	111.9	162.5	-178.5	0	0	0	0	105.8	F915	F915-V917 PolarHBondContact O-N 3.44Å
918	P	44.3	Very low	53	Low	58 Å²	58	91.5 Å²	91.5	38%	0.377	59%	0.585	S	S	.	*			trans	-54.2	134	173.1	23.2	-32.2	0	0	0	107.5	F916 T920	F916-P918 HydrophobicContact CE1-CB 4.2Å; F916-P918 HydrophobicContact CZ-CB 4.36Å; P918-T920 PolarHBondContact O-N 2.94Å
919	P	46.2	Very low	55.7	Low	108 Å²	108	85.9 Å²	85.9	70%	0.701	54%	0.539	S	S	*	.			trans	-56.7	107.1	-174	18.3	-28.9	0	0	0	109.2	K921	P919-K921 PolarHBondContact O-N 2.98Å
920	T	54.8	Low	58.6	Low	117 Å²	117	84.1 Å²	84.1	72%	0.718	52%	0.516	S	S	*	.			trans	-59.3	135.3	175.2	45.6	0	0	0	0	107.7	P918 G922	P918-T920 PolarHBondContact O-N 2.94Å; T920-G922 PolarHBondContact O-N 2.93Å
921	K	58.3	Low	61.3	Low	206 Å²	206	86 Å²	86	90%	0.896	51%	0.507	S	S	*	.			trans	-42.8	111.4	176.7	-177.1	179.7	-179.6	178.7	0	109.4	P919	P919-K921 PolarHBondContact O-N 2.98Å
922	G	64.1	Low	64	Low	62 Å²	62	84.6 Å²	84.6	64%	0.639	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-59.9	144.1	-178.1	0	0	0	0	0	110.9	T920	T920-G922 PolarHBondContact O-N 2.93Å
923	T	74.2	Confident	66.6	Low	76 Å²	76	76.6 Å²	76.6	47%	0.466	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-64.1	136.8	170.4	-46.7	0	0	0	0	108.9	Q927 I928	T923-Q927 HydrophobicContact CG2-CB 3.91Å; T923-Q927 HydrophobicContact CG2-CG 3.9Å; T923-I928 HydrophobicContact CG2-CG1 3.97Å; T923-I928 WeakPolarHBondContact O-CD1 3.32Å
924	S	79.6	Confident	69	Low	50 Å²	50	76 Å²	76	35%	0.35	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-62.2	142.3	178.9	71.4	0	0	0	0	110.3	T926 Q927 I928	S924-T926 PolarHBondContact O-N 2.63Å; S924-T926 VanDerWaalsContact O-N 3.14Å; S924-T926 PolarHBondContact OG-OG1 2.86Å; S924-Q927 PolarHBondContact O-N 3.27Å; S924-Q927 WeakPolarHBondContact OG-CB 3.46Å; S924-Q927 PolarHBondContact OG-N 2.87Å; S924-I928 PolarHBondContact O-N 2.94Å; S924-I928 VanDerWaalsContact O-N 3.09Å
925	P	80.2	Confident	71.5	Confident	54 Å²	54	72.7 Å²	72.7	35%	0.351	41%	0.408	S	S	.	.	H	α-helix	trans	-52.8	-36.1	175.8	-29.7	36.2	0	0	0	113.1	Q927 I928 W929 Y991	P925-Q927 VanDerWaalsContact C-N 3.34Å; P925-Q927 PolarHBondContact O-N 3.27Å; P925-I928 WeakPolarHBondContact O-CB 3.37Å; P925-I928 PolarHBondContact O-N 2.69Å; P925-W929 VanDerWaalsContact O-CD1 3.26Å; P925-W929 PolarHBondContact O-N 2.91Å; P925-Y991 HydrophobicContact CB-CD2 4.13Å; P925-Y991 HydrophobicContact CB-CG 4.18Å; P925-Y991 HydrophobicContact CG-CD2 4.04Å
926	T	83.9	Confident	73.8	Confident	34 Å²	34	68.2 Å²	68.2	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-38.6	176.1	53	0	0	0	0	113.1	S924 C930 A942 Y991	S924-T926 PolarHBondContact O-N 2.63Å; S924-T926 VanDerWaalsContact O-N 3.14Å; S924-T926 PolarHBondContact OG-OG1 2.86Å; T926-C930 PolarHBondContact O-N 3.23Å; T926-C930 PolarHBondContact O-SG 3.05Å; T926-A942 WeakPolarHBondContact O-CB 3.44Å; T926-Y991 HydrophobicContact CG2-CD1 4.43Å; T926-Y991 HydrophobicContact CG2-CE1 3.74Å
927	Q	86.2	Confident	76.1	Confident	106 Å²	106	64.3 Å²	64.3	50%	0.495	37%	0.372	S	S	.	.	H	α-helix	trans	-75.6	-34.6	178	-176	175.1	11	0	0	111.5	T923 S924 P925 W929 C930 N931	T923-Q927 HydrophobicContact CG2-CB 3.91Å; T923-Q927 HydrophobicContact CG2-CG 3.9Å; S924-Q927 PolarHBondContact O-N 3.27Å; S924-Q927 WeakPolarHBondContact OG-CB 3.46Å; S924-Q927 PolarHBondContact OG-N 2.87Å; P925-Q927 VanDerWaalsContact C-N 3.34Å; P925-Q927 PolarHBondContact O-N 3.27Å; Q927-W929 VanDerWaalsContact C-N 3.32Å; Q927-W929 PolarHBondContact O-N 2.94Å; Q927-C930 PolarHBondContact O-N 2.98Å; Q927-N931 VanDerWaalsContact O-CG 3.28Å; Q927-N931 PolarHBondContact O-N 3.42Å; Q927-N931 VanDerWaalsContact O-N 3.11Å; Q927-N931 PolarHBondContact O-ND2 2.7Å
928	I	85.7	Confident	78.3	Confident	22 Å²	22	59.7 Å²	59.7	11%	0.113	34%	0.343	C	S	.	.	H	α-helix	trans	-60.3	-44	173.2	-67.6	158.6	0	0	0	110.5	T923 S924 P925 C930 N931 N932 L1001 K1002	T923-I928 HydrophobicContact CG2-CG1 3.97Å; T923-I928 WeakPolarHBondContact O-CD1 3.32Å; S924-I928 PolarHBondContact O-N 2.94Å; S924-I928 VanDerWaalsContact O-N 3.09Å; P925-I928 WeakPolarHBondContact O-CB 3.37Å; P925-I928 PolarHBondContact O-N 2.69Å; I928-C930 PolarHBondContact O-N 3.36Å; I928-N931 PolarHBondContact O-N 3.08Å; I928-N932 VanDerWaalsContact CG2-ND2 3.3Å; I928-N932 WeakPolarHBondContact CG2-ND2 3.45Å; I928-N932 WeakPolarHBondContact O-CB 3.29Å; I928-N932 VanDerWaalsContact O-CG 3.26Å; I928-N932 PolarHBondContact O-N 2.96Å; I928-N932 PolarHBondContact O-ND2 2.9Å; I928-L1001 WeakPolarHBondContact CD1-O 3.23Å; I928-K1002 VanDerWaalsContact CG2-O 3.24Å; I928-K1002 WeakPolarHBondContact CG2-O 2.99Å
929	W	88.6	Confident	80.6	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.008	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-44.7	177.5	-63.6	-15.2	0	0	0	113	P925 Q927 N931 N932 S933 A942 Y991 N993 G1004 P1006	P925-W929 VanDerWaalsContact O-CD1 3.26Å; P925-W929 PolarHBondContact O-N 2.91Å; Q927-W929 VanDerWaalsContact C-N 3.32Å; Q927-W929 PolarHBondContact O-N 2.94Å; W929-N931 VanDerWaalsContact C-N 3.32Å; W929-N931 PolarHBondContact O-N 2.82Å; W929-N932 PolarHBondContact O-N 2.61Å; W929-S933 PolarHBondContact O-N 3.47Å; W929-A942 HydrophobicContact CB-CB 4.43Å; W929-A942 HydrophobicContact CE3-CB 4.14Å; W929-Y991 AromaticContact CH2-CD1 3.55Å; W929-Y991 HydrophobicContact CH2-CD1 3.55Å; W929-Y991 HydrophobicContact CH2-CG 4.07Å; W929-Y991 HydrophobicContact CZ2-CD1 4.28Å; W929-Y991 HydrophobicContact CZ2-CG 4.38Å; W929-Y991 AromaticContact CZ3-CD1 3.96Å; W929-Y991 HydrophobicContact CZ3-CD1 3.96Å; W929-N993 PolarHBondContact NE1-OD1 3.38Å; W929-G1004 VanDerWaalsContact CD1-O 3.28Å; W929-P1006 HydrophobicContact CB-CG 4.46Å; W929-P1006 HydrophobicContact CD2-CB 3.74Å; W929-P1006 HydrophobicContact CD2-CG 3.99Å; W929-P1006 HydrophobicContact CE3-CB 3.73Å; W929-P1006 HydrophobicContact CE3-CG 4.1Å; W929-P1006 HydrophobicContact CG-CB 4.39Å; W929-P1006 HydrophobicContact CG-CG 4.18Å; W929-P1006 HydrophobicContact CH2-CB 3.78Å; W929-P1006 HydrophobicContact CZ2-CB 3.8Å; W929-P1006 HydrophobicContact CZ3-CB 3.77Å
930	C	86.8	Confident	82.8	Confident	25 Å²	25	52.4 Å²	52.4	17%	0.169	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-33.6	177.7	-67.4	0	0	0	0	112.8	T926 Q927 I928 H939 A942 S944	T926-C930 PolarHBondContact O-N 3.23Å; T926-C930 PolarHBondContact O-SG 3.05Å; Q927-C930 PolarHBondContact O-N 2.98Å; I928-C930 PolarHBondContact O-N 3.36Å; C930-H939 PolarHBondContact O-CE1 2.67Å; C930-A942 WeakPolarHBondContact SG-CB 3.24Å; C930-S944 PolarHBondContact SG-OG 3.33Å
931	N	86.3	Confident	84.5	Confident	118 Å²	118	47.1 Å²	47.1	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-74.4	-36.1	178.5	-70.8	-13.2	0	0	0	112.4	Q927 I928 W929	Q927-N931 VanDerWaalsContact O-CG 3.28Å; Q927-N931 PolarHBondContact O-N 3.42Å; Q927-N931 VanDerWaalsContact O-N 3.11Å; Q927-N931 PolarHBondContact O-ND2 2.7Å; I928-N931 PolarHBondContact O-N 3.08Å; W929-N931 VanDerWaalsContact C-N 3.32Å; W929-N931 PolarHBondContact O-N 2.82Å
932	N	85.8	Confident	85.9	Confident	74 Å²	74	37.8 Å²	37.8	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-86.8	-20.8	-172.8	-69.7	-16.4	0	0	0	114.1	I928 W929 K1002 G1004	I928-N932 VanDerWaalsContact CG2-ND2 3.3Å; I928-N932 WeakPolarHBondContact CG2-ND2 3.45Å; I928-N932 WeakPolarHBondContact O-CB 3.29Å; I928-N932 VanDerWaalsContact O-CG 3.26Å; I928-N932 PolarHBondContact O-N 2.96Å; I928-N932 PolarHBondContact O-ND2 2.9Å; W929-N932 PolarHBondContact O-N 2.61Å; N932-K1002 PolarHBondContact ND2-O 3.5Å; N932-G1004 PolarHBondContact ND2-O 2.94Å
933	S	85.9	Confident	87.2	Confident	12 Å²	12	36.2 Å²	36.2	8%	0.084	21%	0.207	C	C	.	.			trans	-125.8	141.2	-173.7	-172.6	0	0	0	0	113	W929 L935 D938 H939	W929-S933 PolarHBondContact O-N 3.47Å; S933-L935 PolarHBondContact OG-N 2.81Å; S933-D938 WeakPolarHBondContact CB-OD2 3.39Å; S933-D938 PolarHBondContact OG-OD2 2.99Å; S933-H939 PolarHBondContact O-NE2 2.98Å
934	Q	86.5	Confident	88	Confident	121 Å²	121	34.8 Å²	34.8	57%	0.565	20%	0.2	S	C	*	.			trans	-104.4	9.7	171.5	-62.4	-171.3	-3.3	0	0	112.6	Q955 F1232	Q934-Q955 PolarHBondContact O-NE2 2.79Å; Q934-F1232 HydrophobicContact CB-CD1 4.26Å; Q934-F1232 HydrophobicContact CB-CE1 3.81Å; Q934-F1232 HydrophobicContact CB-CE2 4.5Å; Q934-F1232 HydrophobicContact CB-CZ 3.93Å
935	L	90.9	Very high	88.7	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	20%	0.197	C	C	.	.			trans	-81.8	130.3	177.9	-67.4	169.9	0	0	0	110.3	S933 V937 D938 H939 V1049 P1229 F1232	S933-L935 PolarHBondContact OG-N 2.81Å; L935-V937 VanDerWaalsContact C-N 3.25Å; L935-V937 HydrophobicContact CB-CG1 4.19Å; L935-V937 PolarHBondContact O-N 3.02Å; L935-D938 PolarHBondContact O-N 3.45Å; L935-D938 VanDerWaalsContact O-N 3.13Å; L935-H939 PolarHBondContact O-CD2 3.5Å; L935-V1049 HydrophobicContact CD1-CG1 4.03Å; L935-V1049 HydrophobicContact CD1-CG2 4.13Å; L935-P1229 HydrophobicContact CD1-CG 4.13Å; L935-F1232 HydrophobicContact CD2-CE2 3.74Å; L935-F1232 HydrophobicContact CD2-CZ 4.37Å; L935-F1232 HydrophobicContact CG-CE2 4.3Å
936	P	91.8	Very high	89.2	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-55.1	-38.4	-179.3	-25.5	32	0	0	0	114.1	D938 H939 I940 L951 L952	P936-D938 VanDerWaalsContact C-N 3.34Å; P936-D938 PolarHBondContact O-N 3.29Å; P936-H939 PolarHBondContact O-N 2.97Å; P936-I940 VanDerWaalsContact O-CG1 3.28Å; P936-I940 WeakPolarHBondContact O-CG1 3.08Å; P936-I940 PolarHBondContact O-N 3.24Å; P936-L951 HydrophobicContact CB-CB 4.46Å; P936-L951 HydrophobicContact CG-CB 3.95Å; P936-L952 HydrophobicContact CB-CD2 3.93Å; P936-L952 HydrophobicContact CB-CG 3.88Å; P936-L952 HydrophobicContact CG-CD2 3.81Å; P936-L952 HydrophobicContact CG-CG 4.07Å
937	V	92.2	Very high	89.7	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.024	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-36.6	179.8	60.6	0	0	0	0	113.3	L935 H939 I940 L941 T971 L1047 V1049	L935-V937 VanDerWaalsContact C-N 3.25Å; L935-V937 HydrophobicContact CB-CG1 4.19Å; L935-V937 PolarHBondContact O-N 3.02Å; V937-H939 VanDerWaalsContact C-N 3.34Å; V937-H939 PolarHBondContact O-N 3.25Å; V937-I940 PolarHBondContact O-N 3.47Å; V937-L941 HydrophobicContact CG2-CD1 4.05Å; V937-L941 VanDerWaalsContact O-CG 3.31Å; V937-L941 WeakPolarHBondContact O-CG 3.39Å; V937-L941 PolarHBondContact O-N 3.11Å; V937-T971 HydrophobicContact CG2-CG2 3.93Å; V937-L1047 WeakPolarHBondContact CG2-O 3.41Å; V937-V1049 HydrophobicContact CG1-CG2 3.3Å
938	D	91.8	Very high	90	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-35.6	-179.6	-65.2	-18.9	0	0	0	110.6	S933 L935 P936 L941 A942 R994 P1006	S933-D938 WeakPolarHBondContact CB-OD2 3.39Å; S933-D938 PolarHBondContact OG-OD2 2.99Å; L935-D938 PolarHBondContact O-N 3.45Å; L935-D938 VanDerWaalsContact O-N 3.13Å; P936-D938 VanDerWaalsContact C-N 3.34Å; P936-D938 PolarHBondContact O-N 3.29Å; D938-L941 PolarHBondContact O-N 3.47Å; D938-A942 PolarHBondContact O-N 3.2Å; D938-A942 VanDerWaalsContact O-N 3.07Å; D938-R994 IonicContact OD1-CZ 3.24Å; D938-R994 IonicContact OD1-NH1 3.47Å; D938-R994 PolarHBondContact OD1-NH1 3.41Å; D938-R994 IonicContact OD1-NH2 3.53Å; D938-R994 IonicContact OD2-CZ 2.85Å; D938-R994 IonicContact OD2-NH1 2.76Å; D938-R994 PolarHBondContact OD2-NH1 3.37Å; D938-R994 IonicContact OD2-NH2 3.59Å; D938-R994 PolarHBondContact OD2-NH2 2.93Å; D938-P1006 HydrophobicContact CB-CG 3.85Å
939	H	92.3	Very high	90.3	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.065	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-36.5	173.4	-74.1	-104.5	0	0	0	112.4	C930 S933 L935 P936 V937 A942 G943 S944 T947 A948	C930-H939 PolarHBondContact O-CE1 2.67Å; S933-H939 PolarHBondContact O-NE2 2.98Å; L935-H939 PolarHBondContact O-CD2 3.5Å; P936-H939 PolarHBondContact O-N 2.97Å; V937-H939 VanDerWaalsContact C-N 3.34Å; V937-H939 PolarHBondContact O-N 3.25Å; H939-A942 PolarHBondContact O-N 2.89Å; H939-G943 PolarHBondContact O-N 3.36Å; H939-S944 PolarHBondContact O-N 3.29Å; H939-T947 WeakPolarHBondContact ND1-CB 3.48Å; H939-T947 PolarHBondContact ND1-OG1 2.96Å; H939-A948 HydrophobicContact CB-CB 3.93Å
940	I	92.6	Very high	90.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-43	174.1	-65.6	163.8	0	0	0	110.4	P936 V937 A942 G943 F945 A948 F968 T971 Y972 L1047	P936-I940 VanDerWaalsContact O-CG1 3.28Å; P936-I940 WeakPolarHBondContact O-CG1 3.08Å; P936-I940 PolarHBondContact O-N 3.24Å; V937-I940 PolarHBondContact O-N 3.47Å; I940-A942 VanDerWaalsContact C-N 3.27Å; I940-A942 PolarHBondContact O-N 3.29Å; I940-G943 PolarHBondContact O-N 2.64Å; I940-G943 VanDerWaalsContact O-N 3.09Å; I940-F945 HydrophobicContact CG2-CD1 4.34Å; I940-F945 HydrophobicContact CG2-CE1 3.95Å; I940-A948 HydrophobicContact CD1-CB 4.17Å; I940-A948 HydrophobicContact CG1-CB 3.46Å; I940-A948 VanDerWaalsContact CG1-CB 3.46Å; I940-F968 HydrophobicContact CD1-CD1 3.65Å; I940-F968 HydrophobicContact CD1-CD2 4.29Å; I940-F968 HydrophobicContact CD1-CE1 3.38Å; I940-F968 HydrophobicContact CD1-CE2 4.07Å; I940-F968 HydrophobicContact CD1-CG 4.1Å; I940-F968 HydrophobicContact CD1-CZ 3.61Å; I940-F968 HydrophobicContact CG1-CD1 4.35Å; I940-F968 HydrophobicContact CG1-CD2 4.17Å; I940-F968 HydrophobicContact CG1-CE1 4.25Å; I940-F968 HydrophobicContact CG1-CE2 4.06Å; I940-F968 HydrophobicContact CG1-CG 4.31Å; I940-F968 HydrophobicContact CG1-CZ 4.1Å; I940-F968 HydrophobicContact CG2-CB 4.34Å; I940-F968 HydrophobicContact CG2-CG 4.36Å; I940-F968 WeakPolarHBondContact CG2-O 3.07Å; I940-T971 HydrophobicContact CB-CG2 4.2Å; I940-T971 HydrophobicContact CG2-CG2 3.61Å; I940-Y972 WeakPolarHBondContact O-CD2 3.39Å; I940-L1047 HydrophobicContact CD1-CD2 3.54Å
941	L	90.6	Very high	90.8	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-31.7	177.2	-71.4	163.3	0	0	0	112.3	V937 D938 G943 T971 R974 P1006 A1007	V937-L941 HydrophobicContact CG2-CD1 4.05Å; V937-L941 VanDerWaalsContact O-CG 3.31Å; V937-L941 WeakPolarHBondContact O-CG 3.39Å; V937-L941 PolarHBondContact O-N 3.11Å; D938-L941 PolarHBondContact O-N 3.47Å; L941-G943 VanDerWaalsContact C-N 3.29Å; L941-G943 PolarHBondContact O-N 3.47Å; L941-T971 HydrophobicContact CD2-CG2 3.99Å; L941-T971 WeakPolarHBondContact CD2-O 3.36Å; L941-T971 HydrophobicContact CG-CG2 4.01Å; L941-R974 HydrophobicContact CD2-CB 4.45Å; L941-P1006 HydrophobicContact CB-CB 4Å; L941-P1006 HydrophobicContact CB-CG 4.07Å; L941-P1006 HydrophobicContact CD1-CB 3.88Å; L941-P1006 HydrophobicContact CD1-CG 3.88Å; L941-A1007 WeakPolarHBondContact CD1-O 3.32Å
942	A	89	Confident	91.2	Very high	11 Å²	11	37.9 Å²	37.9	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-74.6	-14.3	173.4	0	0	0	0	0	114.2	T926 W929 C930 D938 H939 I940	T926-A942 WeakPolarHBondContact O-CB 3.44Å; W929-A942 HydrophobicContact CB-CB 4.43Å; W929-A942 HydrophobicContact CE3-CB 4.14Å; C930-A942 WeakPolarHBondContact SG-CB 3.24Å; D938-A942 PolarHBondContact O-N 3.2Å; D938-A942 VanDerWaalsContact O-N 3.07Å; H939-A942 PolarHBondContact O-N 2.89Å; I940-A942 VanDerWaalsContact C-N 3.27Å; I940-A942 PolarHBondContact O-N 3.29Å
943	G	89.8	Confident	91.6	Very high	28 Å²	28	37.3 Å²	37.3	29%	0.289	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	4.4	-175	0	0	0	0	0	114.5	H939 I940 L941 F945 Y972	H939-G943 PolarHBondContact O-N 3.36Å; I940-G943 PolarHBondContact O-N 2.64Å; I940-G943 VanDerWaalsContact O-N 3.09Å; L941-G943 VanDerWaalsContact C-N 3.29Å; L941-G943 PolarHBondContact O-N 3.47Å; G943-F945 PolarHBondContact O-N 3.44Å; G943-F945 VanDerWaalsContact O-N 3.13Å; G943-Y972 VanDerWaalsContact CA-CE2 3.44Å
944	S	92.4	Very high	91.8	Very high	46 Å²	46	40.3 Å²	40.3	32%	0.322	20%	0.204	S	C	.	.			trans	-85.7	73.6	176	-59.9	0	0	0	0	110.6	C930 H939 E946 T947 A948	C930-S944 PolarHBondContact SG-OG 3.33Å; H939-S944 PolarHBondContact O-N 3.29Å; S944-E946 VanDerWaalsContact C-N 3.31Å; S944-E946 PolarHBondContact O-N 3.05Å; S944-T947 VanDerWaalsContact CB-OG1 3.27Å; S944-T947 WeakPolarHBondContact CB-OG1 3.13Å; S944-T947 PolarHBondContact O-OG1 3.36Å; S944-A948 PolarHBondContact O-N 2.87Å
945	F	92.9	Very high	92.1	Very high	63 Å²	63	34.9 Å²	34.9	28%	0.276	18%	0.179	S	C	.	.	H	α-helix	trans	-65.5	-31.5	-177	-61.5	-47.1	0	0	0	113.6	I940 G943 A948 M949 F968 Y972	I940-F945 HydrophobicContact CG2-CD1 4.34Å; I940-F945 HydrophobicContact CG2-CE1 3.95Å; G943-F945 PolarHBondContact O-N 3.44Å; G943-F945 VanDerWaalsContact O-N 3.13Å; F945-A948 PolarHBondContact O-N 3.47Å; F945-M949 HydrophobicContact CB-CE 4.45Å; F945-M949 WeakPolarHBondContact O-CB 3.4Å; F945-M949 VanDerWaalsContact O-CG 3.24Å; F945-M949 WeakPolarHBondContact O-CG 3.2Å; F945-M949 PolarHBondContact O-N 3.29Å; F945-F968 HydrophobicContact CB-CD2 4.49Å; F945-F968 HydrophobicContact CD1-CB 4.44Å; F945-F968 AromaticContact CD1-CD2 3.73Å; F945-F968 HydrophobicContact CD1-CD2 3.73Å; F945-F968 HydrophobicContact CD1-CE2 4.45Å; F945-F968 HydrophobicContact CD1-CG 4.49Å; F945-F968 HydrophobicContact CE1-CB 4.25Å; F945-F968 HydrophobicContact CE1-CD2 4.36Å; F945-F968 HydrophobicContact CG-CD2 4.34Å; F945-Y972 HydrophobicContact CE1-CG 4.41Å; F945-Y972 HydrophobicContact CZ-CD1 4.29Å; F945-Y972 HydrophobicContact CZ-CD2 4.36Å; F945-Y972 AromaticContact CZ-CG 3.93Å; F945-Y972 HydrophobicContact CZ-CG 3.93Å
946	E	92.1	Very high	92.1	Very high	137 Å²	137	34.8 Å²	34.8	64%	0.64	18%	0.178	S	C	*	.	H	α-helix	trans	-63.4	-47.4	-179.8	-169.5	-168.2	147.9	0	0	112.1	S944 A948 M949 R950	S944-E946 VanDerWaalsContact C-N 3.31Å; S944-E946 PolarHBondContact O-N 3.05Å; E946-A948 VanDerWaalsContact C-N 3.34Å; E946-A948 PolarHBondContact O-N 2.98Å; E946-M949 PolarHBondContact O-N 3.22Å; E946-R950 PolarHBondContact O-N 3.45Å; E946-R950 IonicContact OE1-CZ 3.19Å; E946-R950 IonicContact OE1-NH2 2.69Å; E946-R950 PolarHBondContact OE1-NH2 3.23Å
947	T	93	Very high	92	Very high	42 Å²	42	34.7 Å²	34.7	26%	0.258	18%	0.178	S	C	.	.	H	α-helix	trans	-65.7	-40	178.7	53	0	0	0	0	110.7	H939 S944 M949 R950 L951	H939-T947 WeakPolarHBondContact ND1-CB 3.48Å; H939-T947 PolarHBondContact ND1-OG1 2.96Å; S944-T947 VanDerWaalsContact CB-OG1 3.27Å; S944-T947 WeakPolarHBondContact CB-OG1 3.13Å; S944-T947 PolarHBondContact O-OG1 3.36Å; T947-M949 PolarHBondContact O-N 3.48Å; T947-R950 PolarHBondContact O-N 3.02Å; T947-L951 VanDerWaalsContact O-CG 3.29Å; T947-L951 WeakPolarHBondContact O-CG 3.29Å; T947-L951 PolarHBondContact O-N 3.4Å
948	A	92.4	Very high	92.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-42.3	173.4	0	0	0	0	0	113.3	H939 I940 S944 F945 E946 L951 L952 F968	H939-A948 HydrophobicContact CB-CB 3.93Å; I940-A948 HydrophobicContact CD1-CB 4.17Å; I940-A948 HydrophobicContact CG1-CB 3.46Å; I940-A948 VanDerWaalsContact CG1-CB 3.46Å; S944-A948 PolarHBondContact O-N 2.87Å; F945-A948 PolarHBondContact O-N 3.47Å; E946-A948 VanDerWaalsContact C-N 3.34Å; E946-A948 PolarHBondContact O-N 2.98Å; A948-L951 PolarHBondContact O-N 3.14Å; A948-L952 WeakPolarHBondContact O-CG 3.48Å; A948-L952 PolarHBondContact O-N 2.99Å; A948-F968 HydrophobicContact CB-CE2 4.34Å
949	M	93.6	Very high	92.1	Very high	68 Å²	68	38 Å²	38	34%	0.335	20%	0.195	S	C	.	.	H	α-helix	trans	-64.8	-43.2	176.6	-72.4	-178.8	-171.6	0	0	111.5	F945 E946 T947 L952 H953 F961 F968	F945-M949 HydrophobicContact CB-CE 4.45Å; F945-M949 WeakPolarHBondContact O-CB 3.4Å; F945-M949 VanDerWaalsContact O-CG 3.24Å; F945-M949 WeakPolarHBondContact O-CG 3.2Å; F945-M949 PolarHBondContact O-N 3.29Å; E946-M949 PolarHBondContact O-N 3.22Å; T947-M949 PolarHBondContact O-N 3.48Å; M949-L952 PolarHBondContact O-N 2.98Å; M949-H953 WeakPolarHBondContact O-CB 3.25Å; M949-H953 PolarHBondContact O-N 3.34Å; M949-F961 HydrophobicContact CB-CD1 4.23Å; M949-F961 HydrophobicContact CB-CE1 3.74Å; M949-F961 HydrophobicContact CB-CE2 4.15Å; M949-F961 HydrophobicContact CB-CZ 3.7Å; M949-F961 HydrophobicContact CE-CB 4.34Å; M949-F961 HydrophobicContact CE-CG 4.48Å; M949-F961 HydrophobicContact CG-CD1 3.65Å; M949-F961 HydrophobicContact CG-CD2 4.39Å; M949-F961 HydrophobicContact CG-CE1 3.65Å; M949-F961 HydrophobicContact CG-CE2 4.4Å; M949-F961 HydrophobicContact CG-CG 4.03Å; M949-F961 HydrophobicContact CG-CZ 4.06Å; M949-F961 VanDerWaalsContact O-CZ 3.27Å; M949-F961 WeakPolarHBondContact O-CZ 3.36Å; M949-F961 HydrophobicContact SD-CB 4.42Å; M949-F961 HydrophobicContact SD-CD1 4.27Å; M949-F961 HydrophobicContact SD-CD2 4.3Å; M949-F961 HydrophobicContact SD-CG 4.07Å; M949-F968 HydrophobicContact CE-CD2 4.26Å; M949-F968 HydrophobicContact CE-CE2 4.01Å; M949-F968 HydrophobicContact CG-CE2 3.91Å; M949-F968 HydrophobicContact CG-CZ 4.42Å
950	R	93.6	Very high	92.1	Very high	129 Å²	129	42.1 Å²	42.1	49%	0.487	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-46.8	175.1	-169.8	-179.2	-64	128.7	6.2	111.4	E946 T947 L952 H953 D954	E946-R950 PolarHBondContact O-N 3.45Å; E946-R950 IonicContact OE1-CZ 3.19Å; E946-R950 IonicContact OE1-NH2 2.69Å; E946-R950 PolarHBondContact OE1-NH2 3.23Å; T947-R950 PolarHBondContact O-N 3.02Å; R950-L952 PolarHBondContact O-N 3.1Å; R950-H953 VanDerWaalsContact O-CB 3.32Å; R950-H953 WeakPolarHBondContact O-CB 3.31Å; R950-H953 PolarHBondContact O-N 3.07Å; R950-H953 VanDerWaalsContact O-N 3.16Å; R950-D954 PolarHBondContact O-N 3.29Å
951	L	92.4	Very high	92.1	Very high	37 Å²	37	44.1 Å²	44.1	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-60.6	-43.2	177.2	-69.4	169.5	0	0	0	112.3	P936 T947 A948 H953 D954 Q955	P936-L951 HydrophobicContact CB-CB 4.46Å; P936-L951 HydrophobicContact CG-CB 3.95Å; T947-L951 VanDerWaalsContact O-CG 3.29Å; T947-L951 WeakPolarHBondContact O-CG 3.29Å; T947-L951 PolarHBondContact O-N 3.4Å; A948-L951 PolarHBondContact O-N 3.14Å; L951-H953 VanDerWaalsContact C-N 3.32Å; L951-H953 PolarHBondContact O-N 3.36Å; L951-D954 PolarHBondContact O-N 3.08Å; L951-Q955 WeakPolarHBondContact O-CB 3.22Å; L951-Q955 WeakPolarHBondContact O-CG 3.34Å; L951-Q955 PolarHBondContact O-N 3.42Å
952	L	93.3	Very high	92.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-32.1	176.3	-72.8	174.3	0	0	0	113	P936 A948 M949 R950 V956 G957 V958 F961 Y964 F968 P1046	P936-L952 HydrophobicContact CB-CD2 3.93Å; P936-L952 HydrophobicContact CB-CG 3.88Å; P936-L952 HydrophobicContact CG-CD2 3.81Å; P936-L952 HydrophobicContact CG-CG 4.07Å; A948-L952 WeakPolarHBondContact O-CG 3.48Å; A948-L952 PolarHBondContact O-N 2.99Å; M949-L952 PolarHBondContact O-N 2.98Å; R950-L952 PolarHBondContact O-N 3.1Å; L952-V956 HydrophobicContact CD2-CG2 4.38Å; L952-V956 WeakPolarHBondContact O-CG2 3.24Å; L952-V956 PolarHBondContact O-N 3.31Å; L952-V956 VanDerWaalsContact O-N 3.13Å; L952-G957 PolarHBondContact O-N 3.19Å; L952-V958 HydrophobicContact CB-CB 4.33Å; L952-V958 HydrophobicContact CB-CG2 4.04Å; L952-V958 PolarHBondContact O-N 2.9Å; L952-F961 HydrophobicContact CB-CE1 4.12Å; L952-F961 HydrophobicContact CD1-CE1 4.26Å; L952-Y964 HydrophobicContact CD1-CE1 4.39Å; L952-F968 HydrophobicContact CD1-CE1 3.93Å; L952-F968 HydrophobicContact CD1-CZ 3.68Å; L952-P1046 HydrophobicContact CD2-CB 3.74Å
953	H	93.7	Very high	92.1	Very high	62 Å²	62	48.3 Å²	48.3	29%	0.287	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-47.8	173.1	-172.7	84.6	0	0	0	111.2	M949 R950 L951 G957 V958 K1220	M949-H953 WeakPolarHBondContact O-CB 3.25Å; M949-H953 PolarHBondContact O-N 3.34Å; R950-H953 VanDerWaalsContact O-CB 3.32Å; R950-H953 WeakPolarHBondContact O-CB 3.31Å; R950-H953 PolarHBondContact O-N 3.07Å; R950-H953 VanDerWaalsContact O-N 3.16Å; L951-H953 VanDerWaalsContact C-N 3.32Å; L951-H953 PolarHBondContact O-N 3.36Å; H953-G957 WeakPolarHBondContact O-CA 3.34Å; H953-G957 PolarHBondContact O-N 2.95Å; H953-V958 PolarHBondContact ND1-O 2.82Å; H953-K1220 PolarHBondContact CE1-NZ 3.36Å; H953-K1220 PolarHBondContact NE2-NZ 3.02Å
954	D	91.8	Very high	92.1	Very high	74 Å²	74	47 Å²	47	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-77	-34.9	-175.6	-61.5	-20.5	0	0	0	112.7	R950 L951 V1222 I1223	R950-D954 PolarHBondContact O-N 3.29Å; L951-D954 PolarHBondContact O-N 3.08Å; D954-V1222 WeakPolarHBondContact O-CA 3.37Å; D954-V1222 WeakPolarHBondContact O-CB 3.48Å; D954-I1223 HydrophobicContact CB-CD1 4.29Å; D954-I1223 PolarHBondContact O-N 2.82Å
955	Q	91.1	Very high	92.1	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-80.2	-44.1	-177.2	-69.2	173.1	6.9	0	0	112.8	Q934 L951 V1222 G1224 R1226	Q934-Q955 PolarHBondContact O-NE2 2.79Å; L951-Q955 WeakPolarHBondContact O-CB 3.22Å; L951-Q955 WeakPolarHBondContact O-CG 3.34Å; L951-Q955 PolarHBondContact O-N 3.42Å; Q955-V1222 WeakPolarHBondContact O-CB 3.37Å; Q955-V1222 WeakPolarHBondContact O-CG2 3.35Å; Q955-G1224 CarbonylContact O-C 3.53Å; Q955-G1224 VanDerWaalsContact O-CA 3.26Å; Q955-G1224 WeakPolarHBondContact O-CA 3.16Å; Q955-G1224 PolarHBondContact O-N 2.76Å; Q955-R1226 HydrophobicContact CG-CG 4.27Å
956	V	90.9	Very high	91.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-132.7	7.7	-172.2	-54.2	0	0	0	0	114.3	L952 V958 L1196 T1216 L1225	L952-V956 HydrophobicContact CD2-CG2 4.38Å; L952-V956 WeakPolarHBondContact O-CG2 3.24Å; L952-V956 PolarHBondContact O-N 3.31Å; L952-V956 VanDerWaalsContact O-N 3.13Å; V956-V958 HydrophobicContact CG2-CG2 3.63Å; V956-L1196 HydrophobicContact CB-CB 4.2Å; V956-L1196 HydrophobicContact CB-CD1 4.19Å; V956-L1196 HydrophobicContact CG1-CD1 4.17Å; V956-L1196 HydrophobicContact CG2-CD1 4.37Å; V956-T1216 VanDerWaalsContact O-CG2 3.3Å; V956-T1216 WeakPolarHBondContact O-CG2 3.45Å; V956-L1225 HydrophobicContact CG1-CB 4.29Å; V956-L1225 HydrophobicContact CG1-CD1 3.99Å
957	G	90.9	Very high	91.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.			trans	77.2	27.9	169.2	0	0	0	0	0	114.8	L952 H953 T1216 E1217	L952-G957 PolarHBondContact O-N 3.19Å; H953-G957 WeakPolarHBondContact O-CA 3.34Å; H953-G957 PolarHBondContact O-N 2.95Å; G957-T1216 VanDerWaalsContact O-CA 3.25Å; G957-T1216 WeakPolarHBondContact O-CA 3.15Å; G957-E1217 PolarHBondContact O-N 3.33Å; G957-E1217 VanDerWaalsContact O-N 3.1Å
958	V	93.1	Very high	91.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-70.6	128.1	179	-174.9	0	0	0	0	111.2	L952 H953 V956 F961 Y964 V1215 T1216	L952-V958 HydrophobicContact CB-CB 4.33Å; L952-V958 HydrophobicContact CB-CG2 4.04Å; L952-V958 PolarHBondContact O-N 2.9Å; H953-V958 PolarHBondContact ND1-O 2.82Å; V956-V958 HydrophobicContact CG2-CG2 3.63Å; V958-F961 HydrophobicContact CB-CE1 3.94Å; V958-F961 HydrophobicContact CB-CE2 4.47Å; V958-F961 HydrophobicContact CB-CZ 3.8Å; V958-F961 HydrophobicContact CG1-CD1 3.79Å; V958-F961 HydrophobicContact CG1-CD2 4.29Å; V958-F961 HydrophobicContact CG1-CE1 3.48Å; V958-F961 VanDerWaalsContact CG1-CE1 3.48Å; V958-F961 HydrophobicContact CG1-CE2 4.01Å; V958-F961 HydrophobicContact CG1-CG 4.18Å; V958-F961 HydrophobicContact CG1-CZ 3.6Å; V958-Y964 HydrophobicContact CG1-CD2 4.13Å; V958-Y964 HydrophobicContact CG1-CE2 3.89Å; V958-Y964 HydrophobicContact CG2-CE2 4.02Å; V958-V1215 HydrophobicContact CG1-CB 4.12Å; V958-V1215 HydrophobicContact CG1-CG2 4.41Å; V958-V1215 HydrophobicContact CG2-CG2 4.49Å; V958-T1216 HydrophobicContact CG2-CG2 4.33Å
959	I	91.9	Very high	91.7	Very high	74 Å²	74	51.1 Å²	51.1	38%	0.379	26%	0.257	S	S	.	.			trans	-115.3	-44.3	173.3	-59.6	-170.6	0	0	0	110.7	F961 V1215 E1217	I959-F961 WeakPolarHBondContact O-CD2 3.38Å; I959-F961 PolarHBondContact O-N 2.89Å; I959-V1215 PolarHBondContact N-O 2.8Å; I959-E1217 HydrophobicContact CD1-CB 3.67Å; I959-E1217 HydrophobicContact CD1-CG 4.1Å; I959-E1217 WeakPolarHBondContact CD1-OE2 3.28Å; I959-E1217 HydrophobicContact CG1-CB 4.31Å
960	Q	92.4	Very high	91.4	Very high	99 Å²	99	52.6 Å²	52.6	46%	0.463	26%	0.264	S	S	.	.			trans	-94.7	102.2	-177.8	-167.8	70.5	4.8	0	0	110.7	V1215	Q960-V1215 PolarHBondContact N-O 3.1Å; Q960-V1215 VanDerWaalsContact N-O 3.15Å; Q960-V1215 WeakPolarHBondContact O-CB 3.4Å; Q960-V1215 VanDerWaalsContact O-CG1 3.28Å; Q960-V1215 WeakPolarHBondContact O-CG1 3.44Å
961	F	92.1	Very high	91.2	Very high	42 Å²	42	47.4 Å²	47.4	18%	0.184	25%	0.246	C	C	.	.			trans	-86.8	-3.4	-177.6	-69.9	-85.8	0	0	0	114.9	M949 L952 V958 I959 Y964 K965	M949-F961 HydrophobicContact CB-CD1 4.23Å; M949-F961 HydrophobicContact CB-CE1 3.74Å; M949-F961 HydrophobicContact CB-CE2 4.15Å; M949-F961 HydrophobicContact CB-CZ 3.7Å; M949-F961 HydrophobicContact CE-CB 4.34Å; M949-F961 HydrophobicContact CE-CG 4.48Å; M949-F961 HydrophobicContact CG-CD1 3.65Å; M949-F961 HydrophobicContact CG-CD2 4.39Å; M949-F961 HydrophobicContact CG-CE1 3.65Å; M949-F961 HydrophobicContact CG-CE2 4.4Å; M949-F961 HydrophobicContact CG-CG 4.03Å; M949-F961 HydrophobicContact CG-CZ 4.06Å; M949-F961 VanDerWaalsContact O-CZ 3.27Å; M949-F961 WeakPolarHBondContact O-CZ 3.36Å; M949-F961 HydrophobicContact SD-CB 4.42Å; M949-F961 HydrophobicContact SD-CD1 4.27Å; M949-F961 HydrophobicContact SD-CD2 4.3Å; M949-F961 HydrophobicContact SD-CG 4.07Å; L952-F961 HydrophobicContact CB-CE1 4.12Å; L952-F961 HydrophobicContact CD1-CE1 4.26Å; V958-F961 HydrophobicContact CB-CE1 3.94Å; V958-F961 HydrophobicContact CB-CE2 4.47Å; V958-F961 HydrophobicContact CB-CZ 3.8Å; V958-F961 HydrophobicContact CG1-CD1 3.79Å; V958-F961 HydrophobicContact CG1-CD2 4.29Å; V958-F961 HydrophobicContact CG1-CE1 3.48Å; V958-F961 VanDerWaalsContact CG1-CE1 3.48Å; V958-F961 HydrophobicContact CG1-CE2 4.01Å; V958-F961 HydrophobicContact CG1-CG 4.18Å; V958-F961 HydrophobicContact CG1-CZ 3.6Å; I959-F961 WeakPolarHBondContact O-CD2 3.38Å; I959-F961 PolarHBondContact O-N 2.89Å; F961-Y964 HydrophobicContact CD1-CD2 4.36Å; F961-Y964 WeakPolarHBondContact O-CA 3.26Å; F961-Y964 WeakPolarHBondContact O-CB 3.45Å; F961-Y964 PolarHBondContact O-N 3.35Å; F961-K965 PolarHBondContact O-N 3.36Å
962	G	90.6	Very high	91.1	Very high	51 Å²	51	49.1 Å²	49.1	53%	0.526	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-49.1	-51.1	178.8	0	0	0	0	0	113.8	Y964 K965	G962-Y964 PolarHBondContact O-N 2.99Å; G962-K965 WeakPolarHBondContact O-CB 3.48Å; G962-K965 PolarHBondContact O-N 3.02Å
963	P	89.3	Confident	90.8	Very high	54 Å²	54	52.3 Å²	52.3	35%	0.351	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.1	176.3	-26.9	38.2	0	0	0	115.1	L1043 V1215	P963-L1043 HydrophobicContact CB-CD1 3.83Å; P963-V1215 HydrophobicContact CB-CG1 3.86Å; P963-V1215 HydrophobicContact CG-CG1 3.64Å
964	Y	91.2	Very high	90.3	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-81.7	-15.9	177.3	-82.8	-79	0	0	0	113.7	L952 V958 F961 G962 Q966 L967 F968 L1043 L1047 V1215	L952-Y964 HydrophobicContact CD1-CE1 4.39Å; V958-Y964 HydrophobicContact CG1-CD2 4.13Å; V958-Y964 HydrophobicContact CG1-CE2 3.89Å; V958-Y964 HydrophobicContact CG2-CE2 4.02Å; F961-Y964 HydrophobicContact CD1-CD2 4.36Å; F961-Y964 WeakPolarHBondContact O-CA 3.26Å; F961-Y964 WeakPolarHBondContact O-CB 3.45Å; F961-Y964 PolarHBondContact O-N 3.35Å; G962-Y964 PolarHBondContact O-N 2.99Å; Y964-Q966 PolarHBondContact O-N 2.78Å; Y964-L967 HydrophobicContact CD1-CD1 4.11Å; Y964-L967 HydrophobicContact CE1-CD1 4.43Å; Y964-L967 WeakPolarHBondContact O-CB 3.47Å; Y964-L967 PolarHBondContact O-N 2.95Å; Y964-F968 HydrophobicContact CD1-CD1 4.19Å; Y964-F968 AromaticContact CD1-CE1 3.7Å; Y964-F968 HydrophobicContact CD1-CE1 3.7Å; Y964-F968 HydrophobicContact CG-CE1 4.03Å; Y964-F968 WeakPolarHBondContact O-CD1 3.27Å; Y964-F968 PolarHBondContact O-N 2.95Å; Y964-L1043 HydrophobicContact CE1-CB 4.34Å; Y964-L1043 WeakPolarHBondContact CE1-O 3.39Å; Y964-L1043 HydrophobicContact CE2-CD2 4.07Å; Y964-L1047 HydrophobicContact CD1-CD1 4.49Å; Y964-V1215 HydrophobicContact CD2-CG1 4.35Å; Y964-V1215 HydrophobicContact CE2-CB 4.24Å; Y964-V1215 HydrophobicContact CE2-CG1 4.25Å; Y964-V1215 HydrophobicContact CE2-CG2 3.92Å
965	K	90.7	Very high	89.8	Confident	141 Å²	141	50.9 Å²	50.9	61%	0.613	26%	0.264	S	S	*	.	H	α-helix	trans	-53.5	-48.8	-174.4	-176	177.2	-178.9	178.5	0	113.1	F961 G962 F968 L969	F961-K965 PolarHBondContact O-N 3.36Å; G962-K965 WeakPolarHBondContact O-CB 3.48Å; G962-K965 PolarHBondContact O-N 3.02Å; K965-F968 PolarHBondContact O-N 2.85Å; K965-L969 HydrophobicContact CG-CD1 4.34Å; K965-L969 WeakPolarHBondContact O-CG 3.44Å; K965-L969 PolarHBondContact O-N 2.81Å; K965-L969 VanDerWaalsContact O-N 3.09Å
966	Q	89.9	Confident	89.6	Confident	123 Å²	123	54.8 Å²	54.8	58%	0.575	28%	0.279	S	S	*	.	H	α-helix	trans	-67	-39.6	179.4	-70.7	-64.9	-20.4	0	0	111.8	Y964 F968 Q970	Y964-Q966 PolarHBondContact O-N 2.78Å; Q966-F968 PolarHBondContact O-N 2.97Å; Q966-Q970 WeakPolarHBondContact O-CB 3.3Å; Q966-Q970 VanDerWaalsContact O-CG 3.24Å; Q966-Q970 WeakPolarHBondContact O-CG 3.44Å; Q966-Q970 PolarHBondContact O-N 3.33Å
967	L	89	Confident	89.3	Confident	21 Å²	21	58.6 Å²	58.6	11%	0.11	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-40.1	177.1	-65.1	174.1	0	0	0	111.5	Y964 T971 L1043 L1047	Y964-L967 HydrophobicContact CD1-CD1 4.11Å; Y964-L967 HydrophobicContact CE1-CD1 4.43Å; Y964-L967 WeakPolarHBondContact O-CB 3.47Å; Y964-L967 PolarHBondContact O-N 2.95Å; L967-T971 VanDerWaalsContact O-CB 3.27Å; L967-T971 WeakPolarHBondContact O-CB 3.22Å; L967-T971 PolarHBondContact O-N 2.99Å; L967-T971 PolarHBondContact O-OG1 2.85Å; L967-L1043 HydrophobicContact CD1-CB 3.97Å; L967-L1047 HydrophobicContact CB-CD1 3.96Å
968	F	92.6	Very high	89.1	Confident	7 Å²	7	62.5 Å²	62.5	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-66.4	-46.7	178.9	-84	31.8	0	0	0	111.6	I940 F945 A948 M949 L952 Y964 K965 Q966 T971 Y972 L1047	I940-F968 HydrophobicContact CD1-CD1 3.65Å; I940-F968 HydrophobicContact CD1-CD2 4.29Å; I940-F968 HydrophobicContact CD1-CE1 3.38Å; I940-F968 HydrophobicContact CD1-CE2 4.07Å; I940-F968 HydrophobicContact CD1-CG 4.1Å; I940-F968 HydrophobicContact CD1-CZ 3.61Å; I940-F968 HydrophobicContact CG1-CD1 4.35Å; I940-F968 HydrophobicContact CG1-CD2 4.17Å; I940-F968 HydrophobicContact CG1-CE1 4.25Å; I940-F968 HydrophobicContact CG1-CE2 4.06Å; I940-F968 HydrophobicContact CG1-CG 4.31Å; I940-F968 HydrophobicContact CG1-CZ 4.1Å; I940-F968 HydrophobicContact CG2-CB 4.34Å; I940-F968 HydrophobicContact CG2-CG 4.36Å; I940-F968 WeakPolarHBondContact CG2-O 3.07Å; F945-F968 HydrophobicContact CB-CD2 4.49Å; F945-F968 HydrophobicContact CD1-CB 4.44Å; F945-F968 AromaticContact CD1-CD2 3.73Å; F945-F968 HydrophobicContact CD1-CD2 3.73Å; F945-F968 HydrophobicContact CD1-CE2 4.45Å; F945-F968 HydrophobicContact CD1-CG 4.49Å; F945-F968 HydrophobicContact CE1-CB 4.25Å; F945-F968 HydrophobicContact CE1-CD2 4.36Å; F945-F968 HydrophobicContact CG-CD2 4.34Å; A948-F968 HydrophobicContact CB-CE2 4.34Å; M949-F968 HydrophobicContact CE-CD2 4.26Å; M949-F968 HydrophobicContact CE-CE2 4.01Å; M949-F968 HydrophobicContact CG-CE2 3.91Å; M949-F968 HydrophobicContact CG-CZ 4.42Å; L952-F968 HydrophobicContact CD1-CE1 3.93Å; L952-F968 HydrophobicContact CD1-CZ 3.68Å; Y964-F968 HydrophobicContact CD1-CD1 4.19Å; Y964-F968 AromaticContact CD1-CE1 3.7Å; Y964-F968 HydrophobicContact CD1-CE1 3.7Å; Y964-F968 HydrophobicContact CG-CE1 4.03Å; Y964-F968 WeakPolarHBondContact O-CD1 3.27Å; Y964-F968 PolarHBondContact O-N 2.95Å; K965-F968 PolarHBondContact O-N 2.85Å; Q966-F968 PolarHBondContact O-N 2.97Å; F968-T971 PolarHBondContact O-N 3.05Å; F968-Y972 WeakPolarHBondContact O-CB 3Å; F968-Y972 PolarHBondContact O-N 3.47Å; F968-L1047 HydrophobicContact CE1-CD2 4.33Å
969	L	91	Very high	88.7	Confident	82 Å²	82	68.5 Å²	68.5	43%	0.429	35%	0.349	S	S	.	.	H	α-helix	trans	-64.6	-42.4	178.5	-69.2	174.8	0	0	0	112	K965 T971 Y972 A973	K965-L969 HydrophobicContact CG-CD1 4.34Å; K965-L969 WeakPolarHBondContact O-CG 3.44Å; K965-L969 PolarHBondContact O-N 2.81Å; K965-L969 VanDerWaalsContact O-N 3.09Å; L969-T971 VanDerWaalsContact C-N 3.29Å; L969-T971 PolarHBondContact O-N 3.5Å; L969-Y972 PolarHBondContact O-N 2.93Å; L969-A973 WeakPolarHBondContact O-CB 3.37Å; L969-A973 PolarHBondContact O-N 3.43Å
970	Q	88.3	Confident	88.3	Confident	99 Å²	99	72 Å²	72	46%	0.463	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-36.5	175.1	-73.8	177.9	4	0	0	112.2	Q966 R974	Q966-Q970 WeakPolarHBondContact O-CB 3.3Å; Q966-Q970 VanDerWaalsContact O-CG 3.24Å; Q966-Q970 WeakPolarHBondContact O-CG 3.44Å; Q966-Q970 PolarHBondContact O-N 3.33Å; Q970-R974 WeakPolarHBondContact O-CD 3.5Å; Q970-R974 VanDerWaalsContact O-CG 3.31Å; Q970-R974 WeakPolarHBondContact O-CG 3.35Å; Q970-R974 PolarHBondContact O-NE 3.37Å
971	T	89.7	Confident	87.7	Confident	20 Å²	20	70.4 Å²	70.4	12%	0.123	37%	0.368	C	S	.	.	H	α-helix	trans	-71	-47.8	177.3	-58.8	0	0	0	0	110.6	V937 I940 L941 L967 F968 L969 A973 R974	V937-T971 HydrophobicContact CG2-CG2 3.93Å; I940-T971 HydrophobicContact CB-CG2 4.2Å; I940-T971 HydrophobicContact CG2-CG2 3.61Å; L941-T971 HydrophobicContact CD2-CG2 3.99Å; L941-T971 WeakPolarHBondContact CD2-O 3.36Å; L941-T971 HydrophobicContact CG-CG2 4.01Å; L967-T971 VanDerWaalsContact O-CB 3.27Å; L967-T971 WeakPolarHBondContact O-CB 3.22Å; L967-T971 PolarHBondContact O-N 2.99Å; L967-T971 PolarHBondContact O-OG1 2.85Å; F968-T971 PolarHBondContact O-N 3.05Å; L969-T971 VanDerWaalsContact C-N 3.29Å; L969-T971 PolarHBondContact O-N 3.5Å; T971-A973 VanDerWaalsContact C-N 3.32Å; T971-A973 PolarHBondContact O-N 3.16Å; T971-R974 WeakPolarHBondContact O-CB 3.46Å; T971-R974 PolarHBondContact O-N 2.81Å
972	Y	90.5	Very high	87.2	Confident	73 Å²	73	73.5 Å²	73.5	29%	0.286	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-41.7	178.1	177.1	-115.7	0	0	0	112.7	I940 G943 F945 F968 L969 R974 G975	I940-Y972 WeakPolarHBondContact O-CD2 3.39Å; G943-Y972 VanDerWaalsContact CA-CE2 3.44Å; F945-Y972 HydrophobicContact CE1-CG 4.41Å; F945-Y972 HydrophobicContact CZ-CD1 4.29Å; F945-Y972 HydrophobicContact CZ-CD2 4.36Å; F945-Y972 AromaticContact CZ-CG 3.93Å; F945-Y972 HydrophobicContact CZ-CG 3.93Å; F968-Y972 WeakPolarHBondContact O-CB 3Å; F968-Y972 PolarHBondContact O-N 3.47Å; L969-Y972 PolarHBondContact O-N 2.93Å; Y972-R974 PolarHBondContact O-N 2.82Å; Y972-R974 VanDerWaalsContact O-N 3.14Å; Y972-G975 PolarHBondContact O-N 2.82Å
973	A	86.1	Confident	86.2	Confident	67 Å²	67	76.5 Å²	76.5	55%	0.554	40%	0.396	S	S	*	.	H	α-helix	trans	-59.9	-25	177.2	0	0	0	0	0	113.4	L969 T971	L969-A973 WeakPolarHBondContact O-CB 3.37Å; L969-A973 PolarHBondContact O-N 3.43Å; T971-A973 VanDerWaalsContact C-N 3.32Å; T971-A973 PolarHBondContact O-N 3.16Å
974	R	83.1	Confident	85.5	Confident	104 Å²	104	80.5 Å²	80.5	39%	0.392	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-14.7	178	-63.5	163.6	-178.3	-153.7	-10.1	113.4	L941 Q970 T971 Y972 R976 G1009	L941-R974 HydrophobicContact CD2-CB 4.45Å; Q970-R974 WeakPolarHBondContact O-CD 3.5Å; Q970-R974 VanDerWaalsContact O-CG 3.31Å; Q970-R974 WeakPolarHBondContact O-CG 3.35Å; Q970-R974 PolarHBondContact O-NE 3.37Å; T971-R974 WeakPolarHBondContact O-CB 3.46Å; T971-R974 PolarHBondContact O-N 2.81Å; Y972-R974 PolarHBondContact O-N 2.82Å; Y972-R974 VanDerWaalsContact O-N 3.14Å; R974-R976 VanDerWaalsContact C-N 3.29Å; R974-R976 PolarHBondContact O-N 2.87Å; R974-G1009 VanDerWaalsContact NH1-C 3.25Å; R974-G1009 PolarHBondContact NH1-O 3.4Å
975	G	82.3	Confident	84.8	Confident	3 Å²	3	85.2 Å²	85.2	3%	0.031	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13	-174.4	0	0	0	0	0	114.7	Y972	Y972-G975 PolarHBondContact O-N 2.82Å
976	R	85.5	Confident	84	Confident	88 Å²	88	83.7 Å²	83.7	33%	0.332	45%	0.453	S	S	.	.			trans	-140.8	145.2	-177.2	63.6	-175.6	-179.3	171.1	0.5	112.8	R974 G990 Y991	R974-R976 VanDerWaalsContact C-N 3.29Å; R974-R976 PolarHBondContact O-N 2.87Å; R976-G990 CarbonylContact C-O 3.59Å; R976-G990 VanDerWaalsContact CA-O 3.31Å; R976-G990 WeakPolarHBondContact CA-O 3.39Å; R976-Y991 HydrophobicContact CB-CD1 4.34Å; R976-Y991 HydrophobicContact CB-CE1 4.21Å
977	T	85.8	Confident	83.6	Confident	81 Å²	81	79.5 Å²	79.5	50%	0.497	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	147.8	165.9	56.9	0	0	0	0	109.1	Y989 G990	T977-Y989 CarbonylContact O-C 3.51Å; T977-Y989 WeakPolarHBondContact O-CA 3.33Å; T977-G990 PolarHBondContact N-O 3.39Å; T977-G990 PolarHBondContact O-N 2.93Å; T977-G990 WeakPolarHBondContact OG1-CA 3.23Å; T977-G990 PolarHBondContact OG1-O 3.45Å
978	T	85.4	Confident	83.3	Confident	82 Å²	82	83.1 Å²	83.1	50%	0.503	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.4	179.6	-48.6	0	0	0	0	109.2	M988 Y989	T978-M988 WeakPolarHBondContact CA-O 3.3Å; T978-Y989 HydrophobicContact CG2-CD1 4.17Å; T978-Y989 HydrophobicContact CG2-CE1 4.02Å
979	Y	85.1	Confident	82.9	Confident	126 Å²	126	88.1 Å²	88.1	49%	0.494	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.6	171.2	66.9	-84.8	0	0	0	110.8	S987 M988	Y979-S987 CarbonylContact O-C 3.6Å; Y979-M988 HydrophobicContact CD1-CB 4.06Å; Y979-M988 HydrophobicContact CD2-CB 4.08Å; Y979-M988 HydrophobicContact CE1-CB 3.58Å; Y979-M988 HydrophobicContact CE2-CB 3.61Å; Y979-M988 HydrophobicContact CE2-CG 3.99Å; Y979-M988 HydrophobicContact CG-CB 4.29Å; Y979-M988 PolarHBondContact N-O 2.91Å; Y979-M988 PolarHBondContact O-N 3.38Å
980	Q	84.3	Confident	82.5	Confident	148 Å²	148	85.1 Å²	85.1	69%	0.692	46%	0.464	S	S	*	.			trans	-101	124.8	174.4	-79.9	-178.9	-25.4	0	0	109.1	S987	Q980-S987 VanDerWaalsContact CG-OG 3.24Å; Q980-S987 WeakPolarHBondContact CG-OG 3.43Å; Q980-S987 PolarHBondContact NE2-OG 2.98Å
981	A	79.9	Confident	82.5	Confident	66 Å²	66	84.3 Å²	84.3	55%	0.545	46%	0.457	S	S	.	.			trans	-83.7	-56.1	-179.5	0	0	0	0	0	111.7
982	L	80.3	Confident	82.3	Confident	106 Å²	106	85.8 Å²	85.8	56%	0.555	47%	0.467	S	S	*	.	S	Bend	trans	-128.1	148.5	178.9	-68.1	167.7	0	0	0	110.6	C984 L985	L982-C984 PolarHBondContact O-N 3.29Å; L982-L985 HydrophobicContact CB-CB 4.49Å; L982-L985 HydrophobicContact CB-CD1 3.94Å; L982-L985 HydrophobicContact CB-CG 4.17Å; L982-L985 HydrophobicContact CD1-CD1 3.81Å; L982-L985 HydrophobicContact CG-CD1 4.33Å; L982-L985 PolarHBondContact O-N 3.12Å
983	P	69.7	Low	82.1	Confident	115 Å²	115	84.8 Å²	84.8	75%	0.747	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	139.3	166.4	-19	31.2	0	0	0	109.6	L985	P983-L985 VanDerWaalsContact C-N 3.29Å; P983-L985 PolarHBondContact O-N 3.02Å
984	C	74.8	Confident	82	Confident	138 Å²	138	85.2 Å²	85.2	93%	0.932	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	-2.1	-177.5	-48.2	0	0	0	0	116.7	L982	L982-C984 PolarHBondContact O-N 3.29Å
985	L	76.3	Confident	82.1	Confident	99 Å²	99	82 Å²	82	52%	0.518	44%	0.444	S	S	.	.	S	Bend	trans	-95.9	149.4	167.6	-68.4	-175.4	0	0	0	112	L982 P983	L982-L985 HydrophobicContact CB-CB 4.49Å; L982-L985 HydrophobicContact CB-CD1 3.94Å; L982-L985 HydrophobicContact CB-CG 4.17Å; L982-L985 HydrophobicContact CD1-CD1 3.81Å; L982-L985 HydrophobicContact CG-CD1 4.33Å; L982-L985 PolarHBondContact O-N 3.12Å; P983-L985 VanDerWaalsContact C-N 3.29Å; P983-L985 PolarHBondContact O-N 3.02Å
986	P	74.8	Confident	82	Confident	109 Å²	109	91 Å²	91	71%	0.708	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-56.7	145.2	170.5	-22.6	32.9	0	0	0	111.7	M988	P986-M988 PolarHBondContact O-N 3.39Å
987	S	82.4	Confident	81.7	Confident	36 Å²	36	94.5 Å²	94.5	25%	0.252	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-64.1	137.1	175.8	-45.7	0	0	0	0	111.1	Y979 Q980	Y979-S987 CarbonylContact O-C 3.6Å; Q980-S987 VanDerWaalsContact CG-OG 3.24Å; Q980-S987 WeakPolarHBondContact CG-OG 3.43Å; Q980-S987 PolarHBondContact NE2-OG 2.98Å
988	M	82.4	Confident	81.1	Confident	96 Å²	96	97 Å²	97	47%	0.473	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	147.8	176.5	-65.7	-68.7	-80	0	0	110.5	T978 Y979 P986	T978-M988 WeakPolarHBondContact CA-O 3.3Å; Y979-M988 HydrophobicContact CD1-CB 4.06Å; Y979-M988 HydrophobicContact CD2-CB 4.08Å; Y979-M988 HydrophobicContact CE1-CB 3.58Å; Y979-M988 HydrophobicContact CE2-CB 3.61Å; Y979-M988 HydrophobicContact CE2-CG 3.99Å; Y979-M988 HydrophobicContact CG-CB 4.29Å; Y979-M988 PolarHBondContact N-O 2.91Å; Y979-M988 PolarHBondContact O-N 3.38Å; P986-M988 PolarHBondContact O-N 3.39Å
989	Y	83.4	Confident	80.4	Confident	113 Å²	113	94.5 Å²	94.5	44%	0.443	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.9	-179.6	-57.4	-75.1	0	0	0	111.4	T977 T978	T977-Y989 CarbonylContact O-C 3.51Å; T977-Y989 WeakPolarHBondContact O-CA 3.33Å; T978-Y989 HydrophobicContact CG2-CD1 4.17Å; T978-Y989 HydrophobicContact CG2-CE1 4.02Å
990	G	83.8	Confident	79.6	Confident	19 Å²	19	90.7 Å²	90.7	20%	0.196	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.7	170	0	0	0	0	0	111.2	R976 T977 P992	R976-G990 CarbonylContact C-O 3.59Å; R976-G990 VanDerWaalsContact CA-O 3.31Å; R976-G990 WeakPolarHBondContact CA-O 3.39Å; T977-G990 PolarHBondContact N-O 3.39Å; T977-G990 PolarHBondContact O-N 2.93Å; T977-G990 WeakPolarHBondContact OG1-CA 3.23Å; T977-G990 PolarHBondContact OG1-O 3.45Å; G990-P992 WeakPolarHBondContact O-CD 3.47Å
991	Y	86.4	Confident	78.8	Confident	82 Å²	82	91.7 Å²	91.7	32%	0.322	50%	0.501	S	S	.	.			trans	-117.9	94.8	-175.8	-67	-77	0	0	0	110.2	P925 T926 W929 R976	P925-Y991 HydrophobicContact CB-CD2 4.13Å; P925-Y991 HydrophobicContact CB-CG 4.18Å; P925-Y991 HydrophobicContact CG-CD2 4.04Å; T926-Y991 HydrophobicContact CG2-CD1 4.43Å; T926-Y991 HydrophobicContact CG2-CE1 3.74Å; W929-Y991 AromaticContact CH2-CD1 3.55Å; W929-Y991 HydrophobicContact CH2-CD1 3.55Å; W929-Y991 HydrophobicContact CH2-CG 4.07Å; W929-Y991 HydrophobicContact CZ2-CD1 4.28Å; W929-Y991 HydrophobicContact CZ2-CG 4.38Å; W929-Y991 AromaticContact CZ3-CD1 3.96Å; W929-Y991 HydrophobicContact CZ3-CD1 3.96Å; R976-Y991 HydrophobicContact CB-CD1 4.34Å; R976-Y991 HydrophobicContact CB-CE1 4.21Å
992	P	86.3	Confident	78.5	Confident	50 Å²	50	96.5 Å²	96.5	33%	0.325	51%	0.51	S	S	.	.			trans	-69.9	131.6	-178.7	26.5	-32.3	0	0	0	111.6	G990 A1007	G990-P992 WeakPolarHBondContact O-CD 3.47Å; P992-A1007 HydrophobicContact CB-CB 3.96Å; P992-A1007 HydrophobicContact CG-CB 4.15Å; P992-A1007 WeakPolarHBondContact O-CB 3.32Å; P992-A1007 PolarHBondContact O-N 3.4Å
993	N	86.8	Confident	78.5	Confident	53 Å²	53	96.3 Å²	96.3	28%	0.283	51%	0.509	S	S	.	.	B	Isolated β-bridge	trans	-104.7	138.6	179	-67.5	-43.2	0	0	0	111.3	W929 A999 V1005	W929-N993 PolarHBondContact NE1-OD1 3.38Å; N993-A999 HydrophobicContact CB-CB 4.32Å; N993-V1005 CarbonylContact C-O 3.59Å; N993-V1005 WeakPolarHBondContact CA-O 3.09Å; N993-V1005 WeakPolarHBondContact CB-O 3.34Å; N993-V1005 PolarHBondContact OD1-O 3.19Å
994	R	84.5	Confident	79.1	Confident	75 Å²	75	91 Å²	91	28%	0.283	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-31.1	175.2	63.2	177.5	179.4	-120.2	5.5	113	D938 W996 V1005 P1006	D938-R994 IonicContact OD1-CZ 3.24Å; D938-R994 IonicContact OD1-NH1 3.47Å; D938-R994 PolarHBondContact OD1-NH1 3.41Å; D938-R994 IonicContact OD1-NH2 3.53Å; D938-R994 IonicContact OD2-CZ 2.85Å; D938-R994 IonicContact OD2-NH1 2.76Å; D938-R994 PolarHBondContact OD2-NH1 3.37Å; D938-R994 IonicContact OD2-NH2 3.59Å; D938-R994 PolarHBondContact OD2-NH2 2.93Å; R994-W996 PolarHBondContact O-N 3.22Å; R994-V1005 HydrophobicContact CG-CB 4.23Å; R994-V1005 HydrophobicContact CG-CG1 4.24Å; R994-V1005 PolarHBondContact N-O 3.25Å; R994-P1006 WeakPolarHBondContact CG-O 3.33Å; R994-P1006 PolarHBondContact NH1-O 3.22Å
995	N	84.9	Confident	79.7	Confident	38 Å²	38	85.5 Å²	85.5	20%	0.203	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	40.7	-178.3	65.7	-33.5	0	0	0	112.6	K997 D998 A999 N1003 V1005	N995-K997 PolarHBondContact O-N 3.42Å; N995-D998 CarbonylContact O-C 3.57Å; N995-D998 PolarHBondContact O-N 3.34Å; N995-A999 WeakPolarHBondContact O-CB 3.41Å; N995-A999 PolarHBondContact O-N 2.96Å; N995-N1003 PolarHBondContact ND2-O 3.38Å; N995-V1005 PolarHBondContact OD1-N 3.11Å; N995-V1005 PolarHBondContact OD1-O 3.3Å
996	W	79.3	Confident	80.3	Confident	190 Å²	190	80.8 Å²	80.8	72%	0.72	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-27.2	-170.5	66.3	-90.3	0	0	0	115.7	R994	R994-W996 PolarHBondContact O-N 3.22Å
997	K	80.4	Confident	80.8	Confident	162 Å²	162	77 Å²	77	70%	0.704	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-35.9	176.4	-66.2	-173.1	178.1	-175.2	0	113.4	N995	N995-K997 PolarHBondContact O-N 3.42Å
998	D	72.6	Confident	80.8	Confident	134 Å²	134	76.9 Å²	76.9	72%	0.717	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-3.5	-177.9	-55.7	-39.3	0	0	0	112.1	N995 G1000	N995-D998 CarbonylContact O-C 3.57Å; N995-D998 PolarHBondContact O-N 3.34Å; D998-G1000 PolarHBondContact O-N 3.4Å
999	A	69.3	Low	80.5	Confident	30 Å²	30	74.3 Å²	74.3	25%	0.248	39%	0.387	C	S	.	.			trans	-75.9	87.4	-176.2	0	0	0	0	0	110.4	N993 N995	N993-A999 HydrophobicContact CB-CB 4.32Å; N995-A999 WeakPolarHBondContact O-CB 3.41Å; N995-A999 PolarHBondContact O-N 2.96Å
1000	G	69.7	Low	80.5	Confident	46 Å²	46	69.8 Å²	69.8	47%	0.474	37%	0.37	S	S	.	.			trans	-73.5	-179.9	159.3	0	0	0	0	0	112.2	D998 K1002 N1003	D998-G1000 PolarHBondContact O-N 3.4Å; G1000-K1002 PolarHBondContact O-N 3.03Å; G1000-N1003 PolarHBondContact O-N 3.39Å
1001	L	65.9	Low	80.8	Confident	168 Å²	168	75.6 Å²	75.6	88%	0.88	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.1	176.7	-79.1	149	0	0	0	114.4	I928	I928-L1001 WeakPolarHBondContact CD1-O 3.23Å
1002	K	73.8	Confident	80.9	Confident	167 Å²	167	72.4 Å²	72.4	73%	0.726	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-15.5	-174.3	-66.9	-176.5	179.6	176.8	0	114.9	I928 N932 G1000	I928-K1002 VanDerWaalsContact CG2-O 3.24Å; I928-K1002 WeakPolarHBondContact CG2-O 2.99Å; N932-K1002 PolarHBondContact ND2-O 3.5Å; G1000-K1002 PolarHBondContact O-N 3.03Å
1003	N	80.9	Confident	81	Confident	102 Å²	102	75.2 Å²	75.2	55%	0.545	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	11.7	-170.3	-67.2	-12.2	0	0	0	113.3	N995 G1000	N995-N1003 PolarHBondContact ND2-O 3.38Å; G1000-N1003 PolarHBondContact O-N 3.39Å
1004	G	83.5	Confident	81.1	Confident	4 Å²	4	75.2 Å²	75.2	4%	0.041	39%	0.391	C	S	.	.			trans	-62.5	144.5	178.8	0	0	0	0	0	112.6	W929 N932	W929-G1004 VanDerWaalsContact CD1-O 3.28Å; N932-G1004 PolarHBondContact ND2-O 2.94Å
1005	V	86.3	Confident	81.4	Confident	22 Å²	22	71.7 Å²	71.7	13%	0.133	38%	0.378	C	S	.	.			trans	-137	137	176.5	-172.3	0	0	0	0	108.7	N993 R994 N995	N993-V1005 CarbonylContact C-O 3.59Å; N993-V1005 WeakPolarHBondContact CA-O 3.09Å; N993-V1005 WeakPolarHBondContact CB-O 3.34Å; N993-V1005 PolarHBondContact OD1-O 3.19Å; R994-V1005 HydrophobicContact CG-CB 4.23Å; R994-V1005 HydrophobicContact CG-CG1 4.24Å; R994-V1005 PolarHBondContact N-O 3.25Å; N995-V1005 PolarHBondContact OD1-N 3.11Å; N995-V1005 PolarHBondContact OD1-O 3.3Å
1006	P	88.6	Confident	81.6	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-69.5	150.7	-167.7	27.4	-34.6	0	0	0	113.2	W929 D938 L941 R994	W929-P1006 HydrophobicContact CB-CG 4.46Å; W929-P1006 HydrophobicContact CD2-CB 3.74Å; W929-P1006 HydrophobicContact CD2-CG 3.99Å; W929-P1006 HydrophobicContact CE3-CB 3.73Å; W929-P1006 HydrophobicContact CE3-CG 4.1Å; W929-P1006 HydrophobicContact CG-CB 4.39Å; W929-P1006 HydrophobicContact CG-CG 4.18Å; W929-P1006 HydrophobicContact CH2-CB 3.78Å; W929-P1006 HydrophobicContact CZ2-CB 3.8Å; W929-P1006 HydrophobicContact CZ3-CB 3.77Å; D938-P1006 HydrophobicContact CB-CG 3.85Å; L941-P1006 HydrophobicContact CB-CB 4Å; L941-P1006 HydrophobicContact CB-CG 4.07Å; L941-P1006 HydrophobicContact CD1-CB 3.88Å; L941-P1006 HydrophobicContact CD1-CG 3.88Å; R994-P1006 WeakPolarHBondContact CG-O 3.33Å; R994-P1006 PolarHBondContact NH1-O 3.22Å
1007	A	85.3	Confident	82.2	Confident	31 Å²	31	70.4 Å²	70.4	26%	0.256	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-67.1	135.6	172.6	0	0	0	0	0	111.7	L941 P992	L941-A1007 WeakPolarHBondContact CD1-O 3.32Å; P992-A1007 HydrophobicContact CB-CB 3.96Å; P992-A1007 HydrophobicContact CG-CB 4.15Å; P992-A1007 WeakPolarHBondContact O-CB 3.32Å; P992-A1007 PolarHBondContact O-N 3.4Å
1008	V	82.1	Confident	82.7	Confident	33 Å²	33	67.1 Å²	67.1	20%	0.2	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-103.2	124.6	-176.6	-175.8	0	0	0	0	109.4	V1049	V1008-V1049 HydrophobicContact CB-CG2 4.46Å; V1008-V1049 HydrophobicContact CG1-CB 4.34Å; V1008-V1049 HydrophobicContact CG1-CG2 4.12Å; V1008-V1049 HydrophobicContact CG2-CB 3.94Å; V1008-V1049 HydrophobicContact CG2-CG2 3.57Å
1009	G	75.9	Confident	83.6	Confident	41 Å²	41	61.2 Å²	61.2	42%	0.423	33%	0.331	S	S	.	.			trans	-96.3	-1.6	-177.3	0	0	0	0	0	115.8	R974	R974-G1009 VanDerWaalsContact NH1-C 3.25Å; R974-G1009 PolarHBondContact NH1-O 3.4Å
1010	L	84.9	Confident	84.6	Confident	18 Å²	18	64.5 Å²	64.5	9%	0.094	34%	0.341	C	S	.	.			trans	-118.3	119.1	177.7	-175.7	74.2	0	0	0	109.3	D1014 L1015 L1048	L1010-D1014 HydrophobicContact CD1-CB 4.2Å; L1010-L1015 HydrophobicContact CD1-CD2 4.1Å; L1010-L1015 HydrophobicContact CD2-CD2 4.29Å; L1010-L1048 HydrophobicContact CD2-CD2 3.85Å; L1010-L1048 HydrophobicContact CG-CD2 3.87Å
1011	K	88.4	Confident	85.6	Confident	141 Å²	141	66.3 Å²	66.3	61%	0.613	34%	0.34	S	S	*	.			trans	-108.6	159.5	178	-63.8	-174	178.5	-175.6	0	111.3	N1013 D1014	K1011-N1013 VanDerWaalsContact C-N 3.26Å; K1011-N1013 PolarHBondContact O-N 3.22Å; K1011-D1014 PolarHBondContact N-OD2 3.08Å; K1011-D1014 WeakPolarHBondContact O-CB 3.18Å; K1011-D1014 PolarHBondContact O-N 2.81Å
1012	L	89.1	Confident	86.8	Confident	15 Å²	15	58.4 Å²	58.4	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-56.7	-40.7	177.1	-176.4	61.7	0	0	0	111.9	D1014 L1015 I1016 L1048 E1055 E1058 A1059 L1062	L1012-D1014 VanDerWaalsContact C-N 3.26Å; L1012-D1014 PolarHBondContact O-N 3.48Å; L1012-L1015 WeakPolarHBondContact O-CB 3.4Å; L1012-L1015 PolarHBondContact O-N 2.8Å; L1012-I1016 HydrophobicContact CG-CD1 4.18Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.42Å; L1012-I1016 PolarHBondContact O-N 3.23Å; L1012-I1016 VanDerWaalsContact O-N 3.07Å; L1012-L1048 HydrophobicContact CD1-CD1 4.03Å; L1012-E1055 HydrophobicContact CD2-CB 4.29Å; L1012-E1058 HydrophobicContact CD2-CB 3.86Å; L1012-A1059 HydrophobicContact CD1-CB 4.24Å; L1012-L1062 HydrophobicContact CD1-CD2 4.24Å
1013	N	89.6	Confident	87.6	Confident	109 Å²	109	51.3 Å²	51.3	58%	0.583	27%	0.267	S	S	*	.	H	α-helix	trans	-58.2	-34.9	176.3	-75.7	-17.7	0	0	0	113.2	K1011 L1015 I1016 Q1017	K1011-N1013 VanDerWaalsContact C-N 3.26Å; K1011-N1013 PolarHBondContact O-N 3.22Å; N1013-L1015 VanDerWaalsContact C-N 3.3Å; N1013-L1015 PolarHBondContact O-N 2.92Å; N1013-I1016 PolarHBondContact O-N 3.03Å; N1013-Q1017 WeakPolarHBondContact O-CG 3.48Å; N1013-Q1017 PolarHBondContact O-N 2.9Å
1014	D	88.8	Confident	88	Confident	54 Å²	54	52.2 Å²	52.2	29%	0.289	27%	0.268	S	S	.	.	H	α-helix	trans	-65.5	-37.3	178	-56	-34.8	0	0	0	110.9	L1010 K1011 L1012 Q1017 R1018	L1010-D1014 HydrophobicContact CD1-CB 4.2Å; K1011-D1014 PolarHBondContact N-OD2 3.08Å; K1011-D1014 WeakPolarHBondContact O-CB 3.18Å; K1011-D1014 PolarHBondContact O-N 2.81Å; L1012-D1014 VanDerWaalsContact C-N 3.26Å; L1012-D1014 PolarHBondContact O-N 3.48Å; D1014-Q1017 PolarHBondContact O-N 2.89Å; D1014-R1018 VanDerWaalsContact O-CG 3.3Å; D1014-R1018 WeakPolarHBondContact O-CG 3.37Å; D1014-R1018 PolarHBondContact O-N 3.16Å; D1014-R1018 VanDerWaalsContact O-N 3.1Å
1015	L	90.8	Very high	88.3	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.5	-36.7	176.3	-61.7	-171.5	0	0	0	112	L1010 L1012 N1013 Q1017 R1018 L1019 I1041 V1045 L1048 L1062	L1010-L1015 HydrophobicContact CD1-CD2 4.1Å; L1010-L1015 HydrophobicContact CD2-CD2 4.29Å; L1012-L1015 WeakPolarHBondContact O-CB 3.4Å; L1012-L1015 PolarHBondContact O-N 2.8Å; N1013-L1015 VanDerWaalsContact C-N 3.3Å; N1013-L1015 PolarHBondContact O-N 2.92Å; L1015-Q1017 VanDerWaalsContact C-N 3.32Å; L1015-R1018 PolarHBondContact O-N 2.91Å; L1015-L1019 PolarHBondContact O-N 2.82Å; L1015-I1041 HydrophobicContact CB-CG2 4.29Å; L1015-V1045 HydrophobicContact CD1-CG2 4.02Å; L1015-L1048 HydrophobicContact CD1-CD1 3.76Å; L1015-L1048 HydrophobicContact CD1-CD2 3.99Å; L1015-L1048 HydrophobicContact CD1-CG 4.1Å; L1015-L1048 HydrophobicContact CG-CD2 4.45Å; L1015-L1062 HydrophobicContact CB-CD2 3.78Å; L1015-L1062 HydrophobicContact CD1-CD2 3.99Å
1016	I	89.2	Confident	88.5	Confident	63 Å²	63	52.6 Å²	52.6	32%	0.323	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-39	174.6	-64.4	169.2	0	0	0	110.6	L1012 N1013 L1019 Q1020	L1012-I1016 HydrophobicContact CG-CD1 4.18Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.42Å; L1012-I1016 PolarHBondContact O-N 3.23Å; L1012-I1016 VanDerWaalsContact O-N 3.07Å; N1013-I1016 PolarHBondContact O-N 3.03Å; I1016-L1019 VanDerWaalsContact O-CB 3.29Å; I1016-L1019 WeakPolarHBondContact O-CB 3.37Å; I1016-L1019 PolarHBondContact O-N 3.15Å; I1016-Q1020 PolarHBondContact O-N 3.17Å
1017	Q	90.3	Very high	88.4	Confident	138 Å²	138	56.3 Å²	56.3	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-64.5	-42.8	173.8	-71.5	178.1	5.6	0	0	111.9	N1013 D1014 L1015 L1019 Q1020	N1013-Q1017 WeakPolarHBondContact O-CG 3.48Å; N1013-Q1017 PolarHBondContact O-N 2.9Å; D1014-Q1017 PolarHBondContact O-N 2.89Å; L1015-Q1017 VanDerWaalsContact C-N 3.32Å; Q1017-L1019 PolarHBondContact O-N 3.31Å; Q1017-Q1020 WeakPolarHBondContact O-CB 3.15Å; Q1017-Q1020 PolarHBondContact O-N 2.61Å
1018	R	91.1	Very high	88.5	Confident	93 Å²	93	60 Å²	60	35%	0.351	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-31.7	174.5	-68.9	172.4	-170.3	-167.1	2	112.5	D1014 L1015 Q1020 L1021 C1022 I1041	D1014-R1018 VanDerWaalsContact O-CG 3.3Å; D1014-R1018 WeakPolarHBondContact O-CG 3.37Å; D1014-R1018 PolarHBondContact O-N 3.16Å; D1014-R1018 VanDerWaalsContact O-N 3.1Å; L1015-R1018 PolarHBondContact O-N 2.91Å; R1018-Q1020 VanDerWaalsContact C-N 3.3Å; R1018-Q1020 PolarHBondContact O-N 2.8Å; R1018-L1021 WeakPolarHBondContact O-CB 3.08Å; R1018-L1021 PolarHBondContact O-N 2.78Å; R1018-C1022 PolarHBondContact O-N 2.85Å; R1018-C1022 PolarHBondContact O-SG 3.06Å; R1018-I1041 HydrophobicContact CB-CD1 3.84Å; R1018-I1041 HydrophobicContact CB-CG1 4.04Å
1019	L	92	Very high	88.6	Confident	10 Å²	10	60.2 Å²	60.2	5%	0.052	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-37.4	176.9	-173.3	70	0	0	0	111.8	L1015 I1016 Q1017 L1021 C1022 Y1023 F1038 I1041 L1062 I1065	L1015-L1019 PolarHBondContact O-N 2.82Å; I1016-L1019 VanDerWaalsContact O-CB 3.29Å; I1016-L1019 WeakPolarHBondContact O-CB 3.37Å; I1016-L1019 PolarHBondContact O-N 3.15Å; Q1017-L1019 PolarHBondContact O-N 3.31Å; L1019-L1021 VanDerWaalsContact C-N 3.32Å; L1019-L1021 PolarHBondContact O-N 2.82Å; L1019-C1022 WeakPolarHBondContact O-CA 3.3Å; L1019-C1022 VanDerWaalsContact O-CB 3.32Å; L1019-C1022 WeakPolarHBondContact O-CB 3.18Å; L1019-C1022 PolarHBondContact O-N 2.94Å; L1019-Y1023 HydrophobicContact CD1-CE1 4.31Å; L1019-Y1023 HydrophobicContact CD2-CE2 4.01Å; L1019-Y1023 WeakPolarHBondContact CD2-OH 3.46Å; L1019-Y1023 HydrophobicContact CG-CE1 4.3Å; L1019-Y1023 HydrophobicContact CG-CE2 3.83Å; L1019-Y1023 PolarHBondContact O-N 2.85Å; L1019-Y1023 VanDerWaalsContact O-N 3.1Å; L1019-F1038 HydrophobicContact CD1-CD1 4.05Å; L1019-F1038 HydrophobicContact CD1-CE1 3.57Å; L1019-I1041 HydrophobicContact CB-CD1 4.32Å; L1019-I1041 HydrophobicContact CD1-CD1 4.42Å; L1019-L1062 HydrophobicContact CD1-CD1 4.12Å; L1019-L1062 HydrophobicContact CD2-CD1 3.8Å; L1019-L1062 HydrophobicContact CG-CD1 4.41Å; L1019-I1065 HydrophobicContact CD1-CG2 4.17Å; L1019-I1065 HydrophobicContact CD2-CG2 4.5Å
1020	Q	90.1	Very high	89.3	Confident	99 Å²	99	62.9 Å²	62.9	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-39.6	177.5	-63.2	-60.3	-21.3	0	0	112.3	I1016 Q1017 R1018 C1022 Y1023 Q1024	I1016-Q1020 PolarHBondContact O-N 3.17Å; Q1017-Q1020 WeakPolarHBondContact O-CB 3.15Å; Q1017-Q1020 PolarHBondContact O-N 2.61Å; R1018-Q1020 VanDerWaalsContact C-N 3.3Å; R1018-Q1020 PolarHBondContact O-N 2.8Å; Q1020-C1022 VanDerWaalsContact C-N 3.27Å; Q1020-C1022 PolarHBondContact O-N 2.87Å; Q1020-Y1023 PolarHBondContact O-N 3.09Å; Q1020-Q1024 WeakPolarHBondContact O-CG 3.47Å; Q1020-Q1024 PolarHBondContact O-N 2.75Å; Q1020-Q1024 VanDerWaalsContact O-N 3.09Å
1021	L	90.1	Very high	89.5	Confident	85 Å²	85	63.8 Å²	63.8	45%	0.445	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-37.4	173.6	-176.8	66.5	0	0	0	111.5	R1018 L1019 Y1023 Q1024 L1025	R1018-L1021 WeakPolarHBondContact O-CB 3.08Å; R1018-L1021 PolarHBondContact O-N 2.78Å; L1019-L1021 VanDerWaalsContact C-N 3.32Å; L1019-L1021 PolarHBondContact O-N 2.82Å; L1021-Y1023 VanDerWaalsContact C-N 3.33Å; L1021-Y1023 PolarHBondContact O-N 2.8Å; L1021-Q1024 PolarHBondContact O-N 2.84Å; L1021-L1025 WeakPolarHBondContact O-CG 3.48Å; L1021-L1025 PolarHBondContact O-N 3.36Å
1022	C	91.6	Very high	89.6	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-36	177.8	-56.7	0	0	0	0	111.9	R1018 L1019 Q1020 L1025 T1026 K1037 F1038 I1041	R1018-C1022 PolarHBondContact O-N 2.85Å; R1018-C1022 PolarHBondContact O-SG 3.06Å; L1019-C1022 WeakPolarHBondContact O-CA 3.3Å; L1019-C1022 VanDerWaalsContact O-CB 3.32Å; L1019-C1022 WeakPolarHBondContact O-CB 3.18Å; L1019-C1022 PolarHBondContact O-N 2.94Å; Q1020-C1022 VanDerWaalsContact C-N 3.27Å; Q1020-C1022 PolarHBondContact O-N 2.87Å; C1022-L1025 PolarHBondContact O-N 2.69Å; C1022-T1026 WeakPolarHBondContact O-CB 3.36Å; C1022-T1026 PolarHBondContact O-N 2.81Å; C1022-T1026 PolarHBondContact O-OG1 3.26Å; C1022-K1037 VanDerWaalsContact SG-CB 3.56Å; C1022-F1038 HydrophobicContact CB-CD1 3.89Å; C1022-F1038 HydrophobicContact CB-CD2 3.99Å; C1022-F1038 HydrophobicContact CB-CE1 3.51Å; C1022-F1038 HydrophobicContact CB-CE2 3.59Å; C1022-F1038 HydrophobicContact CB-CG 4.12Å; C1022-F1038 HydrophobicContact CB-CZ 3.33Å; C1022-I1041 VanDerWaalsContact SG-CD1 3.56Å
1023	Y	91.6	Very high	89.7	Confident	17 Å²	17	66.9 Å²	66.9	7%	0.067	34%	0.339	C	S	.	.	H	α-helix	trans	-66.5	-39.9	173.4	-63.8	-30.5	0	0	0	112.6	L1019 Q1020 L1021 T1026 T1027 F1038 I1065 Y1069 Q1106 H1109	L1019-Y1023 HydrophobicContact CD1-CE1 4.31Å; L1019-Y1023 HydrophobicContact CD2-CE2 4.01Å; L1019-Y1023 WeakPolarHBondContact CD2-OH 3.46Å; L1019-Y1023 HydrophobicContact CG-CE1 4.3Å; L1019-Y1023 HydrophobicContact CG-CE2 3.83Å; L1019-Y1023 PolarHBondContact O-N 2.85Å; L1019-Y1023 VanDerWaalsContact O-N 3.1Å; Q1020-Y1023 PolarHBondContact O-N 3.09Å; L1021-Y1023 VanDerWaalsContact C-N 3.33Å; L1021-Y1023 PolarHBondContact O-N 2.8Å; Y1023-T1026 PolarHBondContact O-N 3.43Å; Y1023-T1027 PolarHBondContact O-N 2.8Å; Y1023-T1027 PolarHBondContact O-OG1 2.84Å; Y1023-T1027 VanDerWaalsContact O-OG1 3.08Å; Y1023-F1038 HydrophobicContact CD1-CZ 4.05Å; Y1023-F1038 HydrophobicContact CE1-CE1 4.27Å; Y1023-F1038 HydrophobicContact CE1-CZ 4.16Å; Y1023-I1065 WeakPolarHBondContact OH-CG2 3.47Å; Y1023-Y1069 AromaticContact CD1-CE1 3.79Å; Y1023-Y1069 HydrophobicContact CD1-CE1 3.79Å; Y1023-Y1069 AromaticContact CD1-CZ 3.85Å; Y1023-Y1069 AromaticContact CE1-CE1 3.76Å; Y1023-Y1069 HydrophobicContact CE1-CE1 3.76Å; Y1023-Y1069 AromaticContact CE1-CE2 3.9Å; Y1023-Y1069 HydrophobicContact CE1-CE2 3.9Å; Y1023-Y1069 AromaticContact CE1-CZ 3.4Å; Y1023-Y1069 VanDerWaalsContact CE1-OH 3.24Å; Y1023-Y1069 WeakPolarHBondContact CE1-OH 3.37Å; Y1023-Q1106 HydrophobicContact CE1-CG 4.46Å; Y1023-Q1106 HydrophobicContact CE2-CG 4.49Å; Y1023-H1109 AromaticContact CD1-CE1 3.7Å; Y1023-H1109 AromaticContact CG-CE1 4Å; Y1023-H1109 PolarHBondContact O-NE2 2.84Å
1024	Q	89.1	Confident	89.8	Confident	121 Å²	121	61.7 Å²	61.7	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-61	-47.6	174.1	-67.9	174.5	-3.1	0	0	111.3	Q1020 L1021 T1026 T1027 V1028	Q1020-Q1024 WeakPolarHBondContact O-CG 3.47Å; Q1020-Q1024 PolarHBondContact O-N 2.75Å; Q1020-Q1024 VanDerWaalsContact O-N 3.09Å; L1021-Q1024 PolarHBondContact O-N 2.84Å; Q1024-T1026 VanDerWaalsContact C-N 3.29Å; Q1024-T1026 PolarHBondContact O-N 2.94Å; Q1024-T1027 PolarHBondContact O-N 2.88Å; Q1024-T1027 VanDerWaalsContact O-N 3.14Å; Q1024-V1028 WeakPolarHBondContact O-CG2 3.29Å; Q1024-V1028 PolarHBondContact O-N 3.05Å
1025	L	90.3	Very high	89.9	Confident	26 Å²	26	59.5 Å²	59.5	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-60.6	-38.3	177	-69	172.2	0	0	0	112.5	L1021 C1022 V1028 G1029 K1030 E1033 A1034 K1037	L1021-L1025 WeakPolarHBondContact O-CG 3.48Å; L1021-L1025 PolarHBondContact O-N 3.36Å; C1022-L1025 PolarHBondContact O-N 2.69Å; L1025-V1028 PolarHBondContact O-N 3.28Å; L1025-G1029 PolarHBondContact O-N 2.8Å; L1025-G1029 VanDerWaalsContact O-N 3.12Å; L1025-K1030 HydrophobicContact CD2-CB 4.37Å; L1025-K1030 HydrophobicContact CD2-CD 4.03Å; L1025-K1030 PolarHBondContact O-N 2.55Å; L1025-K1030 VanDerWaalsContact O-N 3.13Å; L1025-E1033 HydrophobicContact CD1-CB 4.49Å; L1025-A1034 HydrophobicContact CB-CB 3.93Å; L1025-K1037 HydrophobicContact CD1-CG 4.18Å
1026	T	89.1	Confident	89.9	Confident	9 Å²	9	65.7 Å²	65.7	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-41.8	175.7	-56.4	0	0	0	0	111.3	C1022 Y1023 Q1024 G1029 Y1069 L1073	C1022-T1026 WeakPolarHBondContact O-CB 3.36Å; C1022-T1026 PolarHBondContact O-N 2.81Å; C1022-T1026 PolarHBondContact O-OG1 3.26Å; Y1023-T1026 PolarHBondContact O-N 3.43Å; Q1024-T1026 VanDerWaalsContact C-N 3.29Å; Q1024-T1026 PolarHBondContact O-N 2.94Å; T1026-G1029 PolarHBondContact O-N 3.4Å; T1026-Y1069 HydrophobicContact CG2-CE1 4.33Å; T1026-L1073 HydrophobicContact CG2-CD1 4.41Å; T1026-L1073 HydrophobicContact CG2-CD2 4.05Å
1027	T	87.6	Confident	90.1	Very high	77 Å²	77	68 Å²	68	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-66.9	-38.3	177.5	-61.5	0	0	0	0	112.2	Y1023 Q1024 G1029 H1109	Y1023-T1027 PolarHBondContact O-N 2.8Å; Y1023-T1027 PolarHBondContact O-OG1 2.84Å; Y1023-T1027 VanDerWaalsContact O-OG1 3.08Å; Q1024-T1027 PolarHBondContact O-N 2.88Å; Q1024-T1027 VanDerWaalsContact O-N 3.14Å; T1027-G1029 PolarHBondContact O-N 3.25Å; T1027-H1109 PolarHBondContact OG1-NE2 3.26Å
1028	V	87.2	Confident	90.2	Very high	110 Å²	110	61.4 Å²	61.4	67%	0.667	31%	0.305	S	S	*	.	H	α-helix	trans	-73.2	-16.5	178.1	177	0	0	0	0	112.3	Q1024 L1025 K1030	Q1024-V1028 WeakPolarHBondContact O-CG2 3.29Å; Q1024-V1028 PolarHBondContact O-N 3.05Å; L1025-V1028 PolarHBondContact O-N 3.28Å; V1028-K1030 HydrophobicContact CG1-CG 4.29Å
1029	G	83.9	Confident	90.4	Very high	36 Å²	36	59.3 Å²	59.3	37%	0.371	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	10.6	178	0	0	0	0	0	114.9	L1025 T1026 T1027 F1031	L1025-G1029 PolarHBondContact O-N 2.8Å; L1025-G1029 VanDerWaalsContact O-N 3.12Å; T1026-G1029 PolarHBondContact O-N 3.4Å; T1027-G1029 PolarHBondContact O-N 3.25Å; G1029-F1031 VanDerWaalsContact C-N 3.32Å; G1029-F1031 PolarHBondContact O-N 2.74Å; G1029-F1031 VanDerWaalsContact O-N 3.08Å
1030	K	90.1	Very high	90.4	Very high	98 Å²	98	61.1 Å²	61.1	43%	0.426	31%	0.311	S	S	.	.			trans	-82.4	71.8	175.2	-71.2	-175.2	160.1	-145	0	111.1	L1025 V1028 E1033 A1034	L1025-K1030 HydrophobicContact CD2-CB 4.37Å; L1025-K1030 HydrophobicContact CD2-CD 4.03Å; L1025-K1030 PolarHBondContact O-N 2.55Å; L1025-K1030 VanDerWaalsContact O-N 3.13Å; V1028-K1030 HydrophobicContact CG1-CG 4.29Å; K1030-E1033 HydrophobicContact CB-CB 4.47Å; K1030-E1033 IonicContact NZ-OE1 3.72Å; K1030-E1033 PolarHBondContact NZ-OE1 3.38Å; K1030-E1033 IonicContact NZ-OE2 3.34Å; K1030-E1033 PolarHBondContact NZ-OE2 2.93Å; K1030-A1034 WeakPolarHBondContact O-CB 3.3Å; K1030-A1034 PolarHBondContact O-N 3.05Å; K1030-A1034 VanDerWaalsContact O-N 3.07Å
1031	F	89.9	Confident	90.5	Very high	36 Å²	36	56.5 Å²	56.5	16%	0.158	29%	0.29	C	S	.	.	H	α-helix	trans	-68.9	-36.5	-169.1	-57.7	-32.8	0	0	0	114.5	G1029 A1034 V1035 L1073 E1076 I1077	G1029-F1031 VanDerWaalsContact C-N 3.32Å; G1029-F1031 PolarHBondContact O-N 2.74Å; G1029-F1031 VanDerWaalsContact O-N 3.08Å; F1031-A1034 PolarHBondContact O-N 2.94Å; F1031-V1035 VanDerWaalsContact O-CG2 3.28Å; F1031-V1035 WeakPolarHBondContact O-CG2 3.16Å; F1031-V1035 PolarHBondContact O-N 3.1Å; F1031-L1073 HydrophobicContact CD1-CD2 3.67Å; F1031-L1073 HydrophobicContact CE1-CD2 3.96Å; F1031-L1073 HydrophobicContact CG-CD2 4.17Å; F1031-E1076 HydrophobicContact CD2-CG 4.11Å; F1031-E1076 HydrophobicContact CE2-CG 3.67Å; F1031-E1076 HydrophobicContact CZ-CG 4.44Å; F1031-I1077 HydrophobicContact CB-CD1 3.81Å; F1031-I1077 HydrophobicContact CB-CG1 3.79Å; F1031-I1077 HydrophobicContact CD2-CG1 4.49Å
1032	E	89.9	Confident	90.7	Very high	130 Å²	130	52.5 Å²	52.5	61%	0.607	27%	0.268	S	S	*	.	H	α-helix	trans	-65.2	-50.7	179.5	-68.2	179.5	175	0	0	111.3	A1034 V1035 E1036 I1077	E1032-A1034 VanDerWaalsContact C-N 3.3Å; E1032-A1034 PolarHBondContact O-N 2.99Å; E1032-V1035 PolarHBondContact O-N 3.38Å; E1032-E1036 PolarHBondContact O-N 3.18Å; E1032-E1036 VanDerWaalsContact O-N 3.14Å; E1032-I1077 HydrophobicContact CG-CD1 3.9Å
1033	E	90.6	Very high	90.7	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-40.3	174.5	-66.7	179.3	-148.2	0	0	111.7	L1025 K1030 E1036 K1037	L1025-E1033 HydrophobicContact CD1-CB 4.49Å; K1030-E1033 HydrophobicContact CB-CB 4.47Å; K1030-E1033 IonicContact NZ-OE1 3.72Å; K1030-E1033 PolarHBondContact NZ-OE1 3.38Å; K1030-E1033 IonicContact NZ-OE2 3.34Å; K1030-E1033 PolarHBondContact NZ-OE2 2.93Å; E1033-E1036 PolarHBondContact O-N 3.33Å; E1033-K1037 WeakPolarHBondContact O-CG 3.22Å; E1033-K1037 PolarHBondContact O-N 3.43Å; E1033-K1037 VanDerWaalsContact O-N 3.1Å
1034	A	91.8	Very high	90.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-45.6	177.6	0	0	0	0	0	111.9	L1025 K1030 F1031 E1032 E1036 K1037 F1038 L1073	L1025-A1034 HydrophobicContact CB-CB 3.93Å; K1030-A1034 WeakPolarHBondContact O-CB 3.3Å; K1030-A1034 PolarHBondContact O-N 3.05Å; K1030-A1034 VanDerWaalsContact O-N 3.07Å; F1031-A1034 PolarHBondContact O-N 2.94Å; E1032-A1034 VanDerWaalsContact C-N 3.3Å; E1032-A1034 PolarHBondContact O-N 2.99Å; A1034-E1036 VanDerWaalsContact C-N 3.33Å; A1034-E1036 PolarHBondContact O-N 3.17Å; A1034-K1037 PolarHBondContact O-N 3.05Å; A1034-F1038 HydrophobicContact CB-CD2 4.39Å; A1034-F1038 HydrophobicContact CB-CE2 4.34Å; A1034-F1038 WeakPolarHBondContact O-CD2 3.44Å; A1034-F1038 PolarHBondContact O-N 3.21Å; A1034-L1073 HydrophobicContact CB-CD1 4.02Å
1035	V	92.1	Very high	90.9	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-42.1	178.7	166.9	0	0	0	0	111.2	F1031 E1032 R1039 I1070 L1073 I1077	F1031-V1035 VanDerWaalsContact O-CG2 3.28Å; F1031-V1035 WeakPolarHBondContact O-CG2 3.16Å; F1031-V1035 PolarHBondContact O-N 3.1Å; E1032-V1035 PolarHBondContact O-N 3.38Å; V1035-R1039 VanDerWaalsContact O-CB 3.3Å; V1035-R1039 WeakPolarHBondContact O-CB 3.27Å; V1035-R1039 PolarHBondContact O-N 3.38Å; V1035-I1070 HydrophobicContact CG1-CG2 4.17Å; V1035-L1073 HydrophobicContact CG2-CB 3.65Å; V1035-L1073 HydrophobicContact CG2-CD1 4.27Å; V1035-I1077 HydrophobicContact CG2-CD1 4.35Å
1036	E	91.3	Very high	91	Very high	129 Å²	129	45.1 Å²	45.1	60%	0.603	23%	0.234	S	C	*	.	H	α-helix	trans	-63.6	-42	176.3	-70	-173.7	167.3	0	0	112.5	E1032 E1033 A1034 R1039 S1040	E1032-E1036 PolarHBondContact O-N 3.18Å; E1032-E1036 VanDerWaalsContact O-N 3.14Å; E1033-E1036 PolarHBondContact O-N 3.33Å; A1034-E1036 VanDerWaalsContact C-N 3.33Å; A1034-E1036 PolarHBondContact O-N 3.17Å; E1036-R1039 PolarHBondContact O-N 3.24Å; E1036-S1040 WeakPolarHBondContact O-CB 3.41Å; E1036-S1040 PolarHBondContact O-N 3.23Å
1037	K	91.7	Very high	91.1	Very high	111 Å²	111	44.9 Å²	44.9	48%	0.483	23%	0.233	S	C	.	.	H	α-helix	trans	-68.8	-42	177.5	-65.9	-63.9	-176.7	-174.8	0	112.3	C1022 L1025 E1033 A1034 R1039 S1040 I1041	C1022-K1037 VanDerWaalsContact SG-CB 3.56Å; L1025-K1037 HydrophobicContact CD1-CG 4.18Å; E1033-K1037 WeakPolarHBondContact O-CG 3.22Å; E1033-K1037 PolarHBondContact O-N 3.43Å; E1033-K1037 VanDerWaalsContact O-N 3.1Å; A1034-K1037 PolarHBondContact O-N 3.05Å; K1037-R1039 VanDerWaalsContact C-N 3.29Å; K1037-R1039 PolarHBondContact O-N 3.19Å; K1037-S1040 WeakPolarHBondContact O-CB 3.35Å; K1037-S1040 PolarHBondContact O-N 2.92Å; K1037-I1041 WeakPolarHBondContact O-CG1 3.45Å; K1037-I1041 PolarHBondContact O-N 2.8Å
1038	F	93.9	Very high	91.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-39.9	172.4	-79.8	-66.6	0	0	0	111.6	L1019 C1022 Y1023 A1034 I1041 L1042 Y1069 I1070 L1073	L1019-F1038 HydrophobicContact CD1-CD1 4.05Å; L1019-F1038 HydrophobicContact CD1-CE1 3.57Å; C1022-F1038 HydrophobicContact CB-CD1 3.89Å; C1022-F1038 HydrophobicContact CB-CD2 3.99Å; C1022-F1038 HydrophobicContact CB-CE1 3.51Å; C1022-F1038 HydrophobicContact CB-CE2 3.59Å; C1022-F1038 HydrophobicContact CB-CG 4.12Å; C1022-F1038 HydrophobicContact CB-CZ 3.33Å; Y1023-F1038 HydrophobicContact CD1-CZ 4.05Å; Y1023-F1038 HydrophobicContact CE1-CE1 4.27Å; Y1023-F1038 HydrophobicContact CE1-CZ 4.16Å; A1034-F1038 HydrophobicContact CB-CD2 4.39Å; A1034-F1038 HydrophobicContact CB-CE2 4.34Å; A1034-F1038 WeakPolarHBondContact O-CD2 3.44Å; A1034-F1038 PolarHBondContact O-N 3.21Å; F1038-I1041 PolarHBondContact O-N 3.47Å; F1038-L1042 WeakPolarHBondContact O-CB 3.48Å; F1038-L1042 PolarHBondContact O-N 2.9Å; F1038-Y1069 HydrophobicContact CE1-CD1 4.11Å; F1038-Y1069 AromaticContact CE1-CG 3.98Å; F1038-Y1069 HydrophobicContact CE1-CG 3.98Å; F1038-Y1069 AromaticContact CE2-CD1 3.6Å; F1038-Y1069 HydrophobicContact CE2-CD1 3.6Å; F1038-Y1069 HydrophobicContact CE2-CE1 4.49Å; F1038-Y1069 HydrophobicContact CE2-CG 4Å; F1038-Y1069 AromaticContact CZ-CD1 3.3Å; F1038-Y1069 HydrophobicContact CZ-CD1 3.3Å; F1038-Y1069 HydrophobicContact CZ-CD2 4.48Å; F1038-Y1069 AromaticContact CZ-CE1 3.91Å; F1038-Y1069 HydrophobicContact CZ-CE1 3.91Å; F1038-Y1069 AromaticContact CZ-CG 3.61Å; F1038-Y1069 HydrophobicContact CZ-CG 3.61Å; F1038-I1070 HydrophobicContact CB-CD1 4.01Å; F1038-I1070 HydrophobicContact CB-CG1 3.67Å; F1038-L1073 HydrophobicContact CD2-CD1 4.33Å; F1038-L1073 HydrophobicContact CE2-CD1 4.1Å
1039	R	93.5	Very high	91.5	Very high	49 Å²	49	37.1 Å²	37.1	19%	0.185	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-41	175.8	-171.2	-178.6	-63.8	126.4	-2.1	111.5	V1035 E1036 K1037 I1041 L1042 L1043 I1070 V1212	V1035-R1039 VanDerWaalsContact O-CB 3.3Å; V1035-R1039 WeakPolarHBondContact O-CB 3.27Å; V1035-R1039 PolarHBondContact O-N 3.38Å; E1036-R1039 PolarHBondContact O-N 3.24Å; K1037-R1039 VanDerWaalsContact C-N 3.29Å; K1037-R1039 PolarHBondContact O-N 3.19Å; R1039-I1041 VanDerWaalsContact C-N 3.32Å; R1039-I1041 PolarHBondContact O-N 2.87Å; R1039-L1042 WeakPolarHBondContact O-CB 3.48Å; R1039-L1042 PolarHBondContact O-N 2.73Å; R1039-L1043 HydrophobicContact CG-CD1 4.2Å; R1039-L1043 HydrophobicContact CG-CG 4.37Å; R1039-L1043 VanDerWaalsContact O-CG 3.31Å; R1039-L1043 WeakPolarHBondContact O-CG 3.42Å; R1039-L1043 PolarHBondContact O-N 3.47Å; R1039-I1070 HydrophobicContact CB-CD1 4.19Å; R1039-V1212 PolarHBondContact NE-O 2.78Å
1040	S	92	Very high	91.8	Very high	48 Å²	48	35.6 Å²	35.6	34%	0.336	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-40.4	175.2	179.8	0	0	0	0	112.1	E1036 K1037 S1044	E1036-S1040 WeakPolarHBondContact O-CB 3.41Å; E1036-S1040 PolarHBondContact O-N 3.23Å; K1037-S1040 WeakPolarHBondContact O-CB 3.35Å; K1037-S1040 PolarHBondContact O-N 2.92Å; S1040-S1044 WeakPolarHBondContact O-CB 3.48Å; S1040-S1044 PolarHBondContact O-N 2.98Å; S1040-S1044 VanDerWaalsContact O-N 3.11Å; S1040-S1044 PolarHBondContact O-OG 3.44Å
1041	I	93.2	Very high	91.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-50.3	173.1	-65.9	170.1	0	0	0	110.1	L1015 R1018 L1019 C1022 K1037 F1038 R1039 L1043 S1044 V1045 L1062	L1015-I1041 HydrophobicContact CB-CG2 4.29Å; R1018-I1041 HydrophobicContact CB-CD1 3.84Å; R1018-I1041 HydrophobicContact CB-CG1 4.04Å; L1019-I1041 HydrophobicContact CB-CD1 4.32Å; L1019-I1041 HydrophobicContact CD1-CD1 4.42Å; C1022-I1041 VanDerWaalsContact SG-CD1 3.56Å; K1037-I1041 WeakPolarHBondContact O-CG1 3.45Å; K1037-I1041 PolarHBondContact O-N 2.8Å; F1038-I1041 PolarHBondContact O-N 3.47Å; R1039-I1041 VanDerWaalsContact C-N 3.32Å; R1039-I1041 PolarHBondContact O-N 2.87Å; I1041-L1043 VanDerWaalsContact C-N 3.32Å; I1041-L1043 PolarHBondContact O-N 2.91Å; I1041-S1044 WeakPolarHBondContact O-CB 3.44Å; I1041-S1044 PolarHBondContact O-N 2.86Å; I1041-V1045 WeakPolarHBondContact O-CG2 3.44Å; I1041-V1045 PolarHBondContact O-N 2.87Å; I1041-L1062 HydrophobicContact CG2-CD1 4.25Å; I1041-L1062 HydrophobicContact CG2-CD2 3.97Å; I1041-L1062 HydrophobicContact CG2-CG 4.17Å
1042	L	93.2	Very high	91.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.9	-45.4	179.6	-172	101.6	0	0	0	112.4	F1038 R1039 S1044 V1045 P1046 I1063 C1066 T1213	F1038-L1042 WeakPolarHBondContact O-CB 3.48Å; F1038-L1042 PolarHBondContact O-N 2.9Å; R1039-L1042 WeakPolarHBondContact O-CB 3.48Å; R1039-L1042 PolarHBondContact O-N 2.73Å; L1042-S1044 VanDerWaalsContact C-N 3.27Å; L1042-S1044 PolarHBondContact O-N 3.44Å; L1042-V1045 PolarHBondContact O-N 3.23Å; L1042-P1046 WeakPolarHBondContact O-CD 3.23Å; L1042-I1063 HydrophobicContact CD1-CB 4.41Å; L1042-I1063 HydrophobicContact CD1-CG2 3.95Å; L1042-C1066 HydrophobicContact CB-CB 4.19Å; L1042-C1066 HydrophobicContact CD1-CB 3.75Å; L1042-T1213 HydrophobicContact CD2-CG2 3.55Å
1043	L	92.9	Very high	91.3	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-73	-17.7	178.3	-63.8	-179.8	0	0	0	113.3	P963 Y964 L967 R1039 I1041 L1196 V1215	P963-L1043 HydrophobicContact CB-CD1 3.83Å; Y964-L1043 HydrophobicContact CE1-CB 4.34Å; Y964-L1043 WeakPolarHBondContact CE1-O 3.39Å; Y964-L1043 HydrophobicContact CE2-CD2 4.07Å; L967-L1043 HydrophobicContact CD1-CB 3.97Å; R1039-L1043 HydrophobicContact CG-CD1 4.2Å; R1039-L1043 HydrophobicContact CG-CG 4.37Å; R1039-L1043 VanDerWaalsContact O-CG 3.31Å; R1039-L1043 WeakPolarHBondContact O-CG 3.42Å; R1039-L1043 PolarHBondContact O-N 3.47Å; I1041-L1043 VanDerWaalsContact C-N 3.32Å; I1041-L1043 PolarHBondContact O-N 2.91Å; L1043-L1196 HydrophobicContact CD2-CD2 4.32Å; L1043-V1215 HydrophobicContact CD1-CG1 4.31Å; L1043-V1215 HydrophobicContact CD2-CB 4.49Å; L1043-V1215 HydrophobicContact CD2-CG1 4.14Å; L1043-V1215 HydrophobicContact CD2-CG2 3.51Å
1044	S	92.7	Very high	91.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	21%	0.208	C	C	.	.	H	α-helix	trans	-82.3	-20.5	175.2	-57.4	0	0	0	0	112.5	S1040 I1041 L1042 L1047	S1040-S1044 WeakPolarHBondContact O-CB 3.48Å; S1040-S1044 PolarHBondContact O-N 2.98Å; S1040-S1044 VanDerWaalsContact O-N 3.11Å; S1040-S1044 PolarHBondContact O-OG 3.44Å; I1041-S1044 WeakPolarHBondContact O-CB 3.44Å; I1041-S1044 PolarHBondContact O-N 2.86Å; L1042-S1044 VanDerWaalsContact C-N 3.27Å; L1042-S1044 PolarHBondContact O-N 3.44Å; S1044-L1047 PolarHBondContact O-N 2.94Å; S1044-L1047 VanDerWaalsContact O-N 3.12Å
1045	V	93	Very high	91.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-61.4	-44.2	-177.5	-179.5	0	0	0	0	113	L1015 I1041 L1042 L1047 L1048 A1059 L1062 I1063 L1225 I1227	L1015-V1045 HydrophobicContact CD1-CG2 4.02Å; I1041-V1045 WeakPolarHBondContact O-CG2 3.44Å; I1041-V1045 PolarHBondContact O-N 2.87Å; L1042-V1045 PolarHBondContact O-N 3.23Å; V1045-L1047 PolarHBondContact O-N 3.35Å; V1045-L1048 HydrophobicContact CG1-CD1 4.18Å; V1045-L1048 WeakPolarHBondContact O-CB 3.42Å; V1045-L1048 WeakPolarHBondContact O-CG 3.44Å; V1045-L1048 PolarHBondContact O-N 2.81Å; V1045-L1048 VanDerWaalsContact O-N 3.08Å; V1045-A1059 HydrophobicContact CG1-CB 4.19Å; V1045-L1062 HydrophobicContact CG2-CD2 4.15Å; V1045-I1063 HydrophobicContact CB-CD1 4.27Å; V1045-I1063 HydrophobicContact CB-CG1 4.14Å; V1045-I1063 HydrophobicContact CG1-CD1 3.73Å; V1045-I1063 HydrophobicContact CG1-CG1 3.91Å; V1045-I1063 HydrophobicContact CG2-CG1 4.07Å; V1045-L1225 HydrophobicContact CG1-CD2 4.29Å; V1045-I1227 WeakPolarHBondContact O-CG2 3.41Å
1046	P	92.3	Very high	91.1	Very high	3 Å²	3	46 Å²	46	2%	0.019	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-61.8	-12.4	175.6	-25.8	37	0	0	0	115.2	L952 L1042 L1196 L1225	L952-P1046 HydrophobicContact CD2-CB 3.74Å; L1042-P1046 WeakPolarHBondContact O-CD 3.23Å; P1046-L1196 HydrophobicContact CG-CD1 3.61Å; P1046-L1196 HydrophobicContact CG-CD2 4.23Å; P1046-L1225 HydrophobicContact CB-CD1 4.2Å; P1046-L1225 HydrophobicContact CG-CD1 4.11Å
1047	L	91.2	Very high	91.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-99.7	6.4	179.3	-54.2	-177.6	0	0	0	112.7	V937 I940 Y964 L967 F968 S1044 V1045	V937-L1047 WeakPolarHBondContact CG2-O 3.41Å; I940-L1047 HydrophobicContact CD1-CD2 3.54Å; Y964-L1047 HydrophobicContact CD1-CD1 4.49Å; L967-L1047 HydrophobicContact CB-CD1 3.96Å; F968-L1047 HydrophobicContact CE1-CD2 4.33Å; S1044-L1047 PolarHBondContact O-N 2.94Å; S1044-L1047 VanDerWaalsContact O-N 3.12Å; V1045-L1047 PolarHBondContact O-N 3.35Å
1048	L	91.3	Very high	91	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.202	C	C	.	.			trans	-79.3	152.8	173.9	-66.5	174.5	0	0	0	111.5	L1010 L1012 L1015 V1045 A1059 I1227	L1010-L1048 HydrophobicContact CD2-CD2 3.85Å; L1010-L1048 HydrophobicContact CG-CD2 3.87Å; L1012-L1048 HydrophobicContact CD1-CD1 4.03Å; L1015-L1048 HydrophobicContact CD1-CD1 3.76Å; L1015-L1048 HydrophobicContact CD1-CD2 3.99Å; L1015-L1048 HydrophobicContact CD1-CG 4.1Å; L1015-L1048 HydrophobicContact CG-CD2 4.45Å; V1045-L1048 HydrophobicContact CG1-CD1 4.18Å; V1045-L1048 WeakPolarHBondContact O-CB 3.42Å; V1045-L1048 WeakPolarHBondContact O-CG 3.44Å; V1045-L1048 PolarHBondContact O-N 2.81Å; V1045-L1048 VanDerWaalsContact O-N 3.08Å; L1048-A1059 HydrophobicContact CD1-CB 4.5Å; L1048-I1227 WeakPolarHBondContact O-CB 3.33Å
1049	V	90.9	Very high	90.9	Very high	23 Å²	23	39.7 Å²	39.7	14%	0.139	20%	0.202	C	C	.	.			trans	-120.9	122.1	164.1	-174.6	0	0	0	0	107.8	L935 V937 V1008 I1227	L935-V1049 HydrophobicContact CD1-CG1 4.03Å; L935-V1049 HydrophobicContact CD1-CG2 4.13Å; V937-V1049 HydrophobicContact CG1-CG2 3.3Å; V1008-V1049 HydrophobicContact CB-CG2 4.46Å; V1008-V1049 HydrophobicContact CG1-CB 4.34Å; V1008-V1049 HydrophobicContact CG1-CG2 4.12Å; V1008-V1049 HydrophobicContact CG2-CB 3.94Å; V1008-V1049 HydrophobicContact CG2-CG2 3.57Å; V1049-I1227 CarbonylContact C-O 3.59Å; V1049-I1227 VanDerWaalsContact CA-O 3.28Å; V1049-I1227 WeakPolarHBondContact CA-O 3.12Å
1050	V	89.1	Confident	90.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	22%	0.215	C	C	.	.			trans	-125.8	144.2	178.9	-59.9	0	0	0	0	110.5	E1055 I1056 I1227 S1228	V1050-E1055 HydrophobicContact CB-CB 3.82Å; V1050-E1055 WeakPolarHBondContact CB-OE2 3.23Å; V1050-E1055 HydrophobicContact CG1-CB 3.99Å; V1050-E1055 HydrophobicContact CG2-CB 4.4Å; V1050-I1056 HydrophobicContact CG2-CD1 4.47Å; V1050-I1056 HydrophobicContact CG2-CG1 3.46Å; V1050-I1056 VanDerWaalsContact CG2-CG1 3.46Å; V1050-I1227 HydrophobicContact CG1-CD1 4.39Å; V1050-I1227 HydrophobicContact CG2-CD1 3.8Å; V1050-I1227 HydrophobicContact CG2-CG1 3.85Å; V1050-I1227 PolarHBondContact N-O 2.87Å; V1050-S1228 WeakPolarHBondContact O-CA 3.5Å; V1050-S1228 WeakPolarHBondContact O-CB 3.37Å; V1050-S1228 PolarHBondContact O-OG 3.34Å
1051	D	84.2	Confident	90.8	Very high	109 Å²	109	45.6 Å²	45.6	58%	0.583	23%	0.227	S	C	*	.			trans	-97.7	-24.8	-174.4	-63.9	-42.2	0	0	0	112	L1230	D1051-L1230 WeakPolarHBondContact O-CD1 3.43Å
1052	N	88.3	Confident	90.8	Very high	88 Å²	88	45.8 Å²	45.8	47%	0.471	23%	0.228	S	C	.	.	S	Bend	trans	-112	145.1	-169.1	-63.5	-29.7	0	0	0	112.9	Q1054 E1055 I1056	N1052-Q1054 PolarHBondContact O-N 3.3Å; N1052-E1055 HydrophobicContact CB-CB 4.47Å; N1052-E1055 HydrophobicContact CB-CG 4.19Å; N1052-E1055 PolarHBondContact ND2-OE1 3.08Å; N1052-E1055 PolarHBondContact O-N 2.8Å; N1052-I1056 WeakPolarHBondContact O-CG1 3.38Å; N1052-I1056 PolarHBondContact O-N 3.38Å
1053	K	87.9	Confident	90.8	Very high	169 Å²	169	46.3 Å²	46.3	74%	0.735	23%	0.23	S	C	*	.	H	α-helix	trans	-60.1	-31.4	174.2	-72.4	-174.2	178.5	-179.6	0	113.2	I1056 A1057	K1053-I1056 PolarHBondContact O-N 3.14Å; K1053-A1057 PolarHBondContact O-N 3.31Å
1054	Q	90.4	Very high	90.8	Very high	139 Å²	139	48.6 Å²	48.6	65%	0.65	25%	0.245	S	C	*	.	H	α-helix	trans	-64.9	-45.9	176.1	-177	177.8	-17.1	0	0	111.4	N1052 I1056 A1057 E1058	N1052-Q1054 PolarHBondContact O-N 3.3Å; Q1054-I1056 VanDerWaalsContact C-N 3.27Å; Q1054-I1056 PolarHBondContact O-N 3.17Å; Q1054-A1057 WeakPolarHBondContact O-CB 3.37Å; Q1054-A1057 PolarHBondContact O-N 2.97Å; Q1054-E1058 PolarHBondContact NE2-OE1 2.77Å; Q1054-E1058 VanDerWaalsContact NE2-OE1 3.14Å; Q1054-E1058 WeakPolarHBondContact O-CG 3.44Å; Q1054-E1058 PolarHBondContact O-N 3.25Å
1055	E	89.3	Confident	90.8	Very high	61 Å²	61	51.2 Å²	51.2	29%	0.285	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-32.3	177.9	-68.2	172.9	-162.6	0	0	112.1	L1012 V1050 N1052 E1058 A1059	L1012-E1055 HydrophobicContact CD2-CB 4.29Å; V1050-E1055 HydrophobicContact CB-CB 3.82Å; V1050-E1055 WeakPolarHBondContact CB-OE2 3.23Å; V1050-E1055 HydrophobicContact CG1-CB 3.99Å; V1050-E1055 HydrophobicContact CG2-CB 4.4Å; N1052-E1055 HydrophobicContact CB-CB 4.47Å; N1052-E1055 HydrophobicContact CB-CG 4.19Å; N1052-E1055 PolarHBondContact ND2-OE1 3.08Å; N1052-E1055 PolarHBondContact O-N 2.8Å; E1055-E1058 PolarHBondContact O-N 2.73Å; E1055-A1059 WeakPolarHBondContact O-CB 3.26Å; E1055-A1059 PolarHBondContact O-N 3.49Å
1056	I	90.1	Very high	90.8	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-45.7	171.5	-61.4	170.9	0	0	0	110.4	V1050 N1052 K1053 Q1054 A1059 Q1060 Q1231	V1050-I1056 HydrophobicContact CG2-CD1 4.47Å; V1050-I1056 HydrophobicContact CG2-CG1 3.46Å; V1050-I1056 VanDerWaalsContact CG2-CG1 3.46Å; N1052-I1056 WeakPolarHBondContact O-CG1 3.38Å; N1052-I1056 PolarHBondContact O-N 3.38Å; K1053-I1056 PolarHBondContact O-N 3.14Å; Q1054-I1056 VanDerWaalsContact C-N 3.27Å; Q1054-I1056 PolarHBondContact O-N 3.17Å; I1056-A1059 PolarHBondContact O-N 3.23Å; I1056-Q1060 WeakPolarHBondContact O-CG 3.47Å; I1056-Q1060 PolarHBondContact O-N 3.11Å; I1056-Q1231 HydrophobicContact CD1-CG 3.85Å
1057	A	91.1	Very high	90.9	Very high	41 Å²	41	53.5 Å²	53.5	34%	0.339	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-41	178.1	0	0	0	0	0	111.5	K1053 Q1054 Q1060 Q1061	K1053-A1057 PolarHBondContact O-N 3.31Å; Q1054-A1057 WeakPolarHBondContact O-CB 3.37Å; Q1054-A1057 PolarHBondContact O-N 2.97Å; A1057-Q1060 PolarHBondContact O-N 3.47Å; A1057-Q1061 WeakPolarHBondContact O-CG 3.41Å; A1057-Q1061 PolarHBondContact O-N 3.11Å
1058	E	91.1	Very high	90.9	Very high	67 Å²	67	54.8 Å²	54.8	31%	0.313	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-39.9	175.8	-70.3	175.6	-165.1	0	0	112.2	L1012 Q1054 E1055 Q1060 Q1061 L1062	L1012-E1058 HydrophobicContact CD2-CB 3.86Å; Q1054-E1058 PolarHBondContact NE2-OE1 2.77Å; Q1054-E1058 VanDerWaalsContact NE2-OE1 3.14Å; Q1054-E1058 WeakPolarHBondContact O-CG 3.44Å; Q1054-E1058 PolarHBondContact O-N 3.25Å; E1055-E1058 PolarHBondContact O-N 2.73Å; E1058-Q1060 PolarHBondContact O-N 2.85Å; E1058-Q1061 WeakPolarHBondContact O-CB 3.32Å; E1058-Q1061 PolarHBondContact O-N 3.18Å; E1058-L1062 WeakPolarHBondContact O-CB 3.12Å; E1058-L1062 PolarHBondContact O-N 3.49Å
1059	A	91.3	Very high	91	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-38.1	174.2	0	0	0	0	0	112.5	L1012 V1045 L1048 E1055 I1056 L1062 I1063 I1227	L1012-A1059 HydrophobicContact CD1-CB 4.24Å; V1045-A1059 HydrophobicContact CG1-CB 4.19Å; L1048-A1059 HydrophobicContact CD1-CB 4.5Å; E1055-A1059 WeakPolarHBondContact O-CB 3.26Å; E1055-A1059 PolarHBondContact O-N 3.49Å; I1056-A1059 PolarHBondContact O-N 3.23Å; A1059-L1062 WeakPolarHBondContact O-CB 3.44Å; A1059-L1062 PolarHBondContact O-N 3.42Å; A1059-I1063 WeakPolarHBondContact O-CG1 3.28Å; A1059-I1063 PolarHBondContact O-N 3.09Å; A1059-I1063 VanDerWaalsContact O-N 3.09Å; A1059-I1227 HydrophobicContact CB-CD1 3.55Å
1060	Q	91.5	Very high	91.1	Very high	96 Å²	96	53.8 Å²	53.8	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-68	-37.6	173.8	-72.1	177.1	-11.4	0	0	112.4	I1056 A1057 E1058 L1062 I1063 T1064	I1056-Q1060 WeakPolarHBondContact O-CG 3.47Å; I1056-Q1060 PolarHBondContact O-N 3.11Å; A1057-Q1060 PolarHBondContact O-N 3.47Å; E1058-Q1060 PolarHBondContact O-N 2.85Å; Q1060-L1062 VanDerWaalsContact C-N 3.33Å; Q1060-I1063 PolarHBondContact O-N 3.33Å; Q1060-T1064 PolarHBondContact O-N 3.15Å; Q1060-T1064 VanDerWaalsContact O-N 3.1Å; Q1060-T1064 PolarHBondContact O-OG1 3.15Å
1061	Q	91.8	Very high	91.3	Very high	125 Å²	125	54.3 Å²	54.3	58%	0.584	27%	0.269	S	S	*	.	H	α-helix	trans	-63.2	-41.1	171.8	-72.9	175.6	0.4	0	0	111.1	A1057 E1058 I1063 T1064 I1065	A1057-Q1061 WeakPolarHBondContact O-CG 3.41Å; A1057-Q1061 PolarHBondContact O-N 3.11Å; E1058-Q1061 WeakPolarHBondContact O-CB 3.32Å; E1058-Q1061 PolarHBondContact O-N 3.18Å; Q1061-I1063 PolarHBondContact O-N 3.17Å; Q1061-T1064 WeakPolarHBondContact O-CA 3.46Å; Q1061-T1064 WeakPolarHBondContact O-CB 3.48Å; Q1061-T1064 PolarHBondContact O-N 3Å; Q1061-T1064 VanDerWaalsContact O-N 3.1Å; Q1061-I1065 WeakPolarHBondContact O-CG1 3.36Å; Q1061-I1065 PolarHBondContact O-N 2.9Å
1062	L	92.8	Very high	91.5	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.042	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-43.5	176	-177.2	62.8	0	0	0	112	L1012 L1015 L1019 I1041 V1045 E1058 A1059 Q1060 T1064 I1065 C1066	L1012-L1062 HydrophobicContact CD1-CD2 4.24Å; L1015-L1062 HydrophobicContact CB-CD2 3.78Å; L1015-L1062 HydrophobicContact CD1-CD2 3.99Å; L1019-L1062 HydrophobicContact CD1-CD1 4.12Å; L1019-L1062 HydrophobicContact CD2-CD1 3.8Å; L1019-L1062 HydrophobicContact CG-CD1 4.41Å; I1041-L1062 HydrophobicContact CG2-CD1 4.25Å; I1041-L1062 HydrophobicContact CG2-CD2 3.97Å; I1041-L1062 HydrophobicContact CG2-CG 4.17Å; V1045-L1062 HydrophobicContact CG2-CD2 4.15Å; E1058-L1062 WeakPolarHBondContact O-CB 3.12Å; E1058-L1062 PolarHBondContact O-N 3.49Å; A1059-L1062 WeakPolarHBondContact O-CB 3.44Å; A1059-L1062 PolarHBondContact O-N 3.42Å; Q1060-L1062 VanDerWaalsContact C-N 3.33Å; L1062-T1064 VanDerWaalsContact C-N 3.28Å; L1062-T1064 PolarHBondContact O-N 2.88Å; L1062-I1065 PolarHBondContact O-N 3.21Å; L1062-C1066 PolarHBondContact O-N 2.92Å; L1062-C1066 PolarHBondContact O-SG 2.95Å
1063	I	93.4	Very high	91.7	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.051	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-44.7	173.4	-70.9	172.7	0	0	0	110.8	L1042 V1045 A1059 Q1060 Q1061 C1066 R1067 L1196 L1225	L1042-I1063 HydrophobicContact CD1-CB 4.41Å; L1042-I1063 HydrophobicContact CD1-CG2 3.95Å; V1045-I1063 HydrophobicContact CB-CD1 4.27Å; V1045-I1063 HydrophobicContact CB-CG1 4.14Å; V1045-I1063 HydrophobicContact CG1-CD1 3.73Å; V1045-I1063 HydrophobicContact CG1-CG1 3.91Å; V1045-I1063 HydrophobicContact CG2-CG1 4.07Å; A1059-I1063 WeakPolarHBondContact O-CG1 3.28Å; A1059-I1063 PolarHBondContact O-N 3.09Å; A1059-I1063 VanDerWaalsContact O-N 3.09Å; Q1060-I1063 PolarHBondContact O-N 3.33Å; Q1061-I1063 PolarHBondContact O-N 3.17Å; I1063-C1066 PolarHBondContact O-N 3.31Å; I1063-R1067 WeakPolarHBondContact O-CB 3.45Å; I1063-R1067 PolarHBondContact O-N 2.99Å; I1063-L1196 HydrophobicContact CD1-CD1 4.44Å; I1063-L1196 VanDerWaalsContact CG2-O 3.31Å; I1063-L1196 WeakPolarHBondContact CG2-O 3.38Å; I1063-L1225 HydrophobicContact CD1-CD2 3.62Å
1064	T	93.1	Very high	91.8	Very high	56 Å²	56	38.1 Å²	38.1	34%	0.344	19%	0.192	S	C	.	.	H	α-helix	trans	-61.3	-46.9	179.2	-59.2	0	0	0	0	110.9	Q1060 Q1061 L1062 C1066 R1067 E1068	Q1060-T1064 PolarHBondContact O-N 3.15Å; Q1060-T1064 VanDerWaalsContact O-N 3.1Å; Q1060-T1064 PolarHBondContact O-OG1 3.15Å; Q1061-T1064 WeakPolarHBondContact O-CA 3.46Å; Q1061-T1064 WeakPolarHBondContact O-CB 3.48Å; Q1061-T1064 PolarHBondContact O-N 3Å; Q1061-T1064 VanDerWaalsContact O-N 3.1Å; L1062-T1064 VanDerWaalsContact C-N 3.28Å; L1062-T1064 PolarHBondContact O-N 2.88Å; T1064-C1066 PolarHBondContact O-N 2.95Å; T1064-R1067 WeakPolarHBondContact O-CB 3.46Å; T1064-R1067 PolarHBondContact O-N 3.18Å; T1064-E1068 VanDerWaalsContact O-CG 3.31Å; T1064-E1068 WeakPolarHBondContact O-CG 3.41Å; T1064-E1068 PolarHBondContact O-N 2.84Å
1065	I	93.1	Very high	91.8	Very high	55 Å²	55	31.5 Å²	31.5	28%	0.282	16%	0.161	S	C	.	.	H	α-helix	trans	-59.3	-50.1	176.5	-66.4	166.6	0	0	0	110.4	L1019 Y1023 Q1061 L1062 R1067 E1068 Y1069	L1019-I1065 HydrophobicContact CD1-CG2 4.17Å; L1019-I1065 HydrophobicContact CD2-CG2 4.5Å; Y1023-I1065 WeakPolarHBondContact OH-CG2 3.47Å; Q1061-I1065 WeakPolarHBondContact O-CG1 3.36Å; Q1061-I1065 PolarHBondContact O-N 2.9Å; L1062-I1065 PolarHBondContact O-N 3.21Å; I1065-R1067 VanDerWaalsContact C-N 3.31Å; I1065-R1067 PolarHBondContact O-N 3.19Å; I1065-E1068 PolarHBondContact O-N 3.02Å; I1065-Y1069 HydrophobicContact CG2-CD2 4.02Å; I1065-Y1069 HydrophobicContact CG2-CE2 4.06Å; I1065-Y1069 VanDerWaalsContact O-CD2 3.27Å; I1065-Y1069 WeakPolarHBondContact O-CD2 3.25Å; I1065-Y1069 PolarHBondContact O-N 3.34Å; I1065-Y1069 VanDerWaalsContact O-N 3.12Å
1066	C	93.6	Very high	91.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-41.3	179.3	-67.8	0	0	0	0	111.9	L1042 L1062 I1063 T1064 I1070	L1042-C1066 HydrophobicContact CB-CB 4.19Å; L1042-C1066 HydrophobicContact CD1-CB 3.75Å; L1062-C1066 PolarHBondContact O-N 2.92Å; L1062-C1066 PolarHBondContact O-SG 2.95Å; I1063-C1066 PolarHBondContact O-N 3.31Å; T1064-C1066 PolarHBondContact O-N 2.95Å; C1066-I1070 WeakPolarHBondContact O-CB 3.42Å; C1066-I1070 WeakPolarHBondContact O-CD1 3.31Å; C1066-I1070 WeakPolarHBondContact O-CG1 3.23Å; C1066-I1070 PolarHBondContact O-N 2.82Å
1067	R	93.5	Very high	91.7	Very high	52 Å²	52	29.6 Å²	29.6	20%	0.196	15%	0.153	C	C	.	.	H	α-helix	trans	-57.3	-55	175.7	176.4	-163.6	64	-148.2	14.6	111.3	I1063 T1064 I1065 Y1069 I1070 V1071 S1197 A1199	I1063-R1067 WeakPolarHBondContact O-CB 3.45Å; I1063-R1067 PolarHBondContact O-N 2.99Å; T1064-R1067 WeakPolarHBondContact O-CB 3.46Å; T1064-R1067 PolarHBondContact O-N 3.18Å; I1065-R1067 VanDerWaalsContact C-N 3.31Å; I1065-R1067 PolarHBondContact O-N 3.19Å; R1067-Y1069 VanDerWaalsContact C-N 3.29Å; R1067-Y1069 PolarHBondContact O-N 3.35Å; R1067-I1070 PolarHBondContact O-N 2.93Å; R1067-V1071 HydrophobicContact CG-CG2 4.32Å; R1067-V1071 WeakPolarHBondContact O-CG2 3.34Å; R1067-V1071 PolarHBondContact O-N 2.76Å; R1067-S1197 WeakPolarHBondContact CD-O 3.36Å; R1067-A1199 HydrophobicContact CG-CB 4.12Å
1068	E	91.4	Very high	91.5	Very high	31 Å²	31	31.2 Å²	31.2	15%	0.145	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-42.7	-174.8	-67.1	-63.6	139.9	0	0	111.4	T1064 I1065 G1072 N1104	T1064-E1068 VanDerWaalsContact O-CG 3.31Å; T1064-E1068 WeakPolarHBondContact O-CG 3.41Å; T1064-E1068 PolarHBondContact O-N 2.84Å; I1065-E1068 PolarHBondContact O-N 3.02Å; E1068-G1072 PolarHBondContact O-N 2.89Å; E1068-N1104 HydrophobicContact CG-CB 4.11Å; E1068-N1104 PolarHBondContact OE2-N 3.4Å
1069	Y	93.2	Very high	91.4	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-43.5	176.6	-84.6	-104.8	0	0	0	112.5	Y1023 T1026 F1038 I1065 R1067 L1073 L1105 Q1106 H1109	Y1023-Y1069 AromaticContact CD1-CE1 3.79Å; Y1023-Y1069 HydrophobicContact CD1-CE1 3.79Å; Y1023-Y1069 AromaticContact CD1-CZ 3.85Å; Y1023-Y1069 AromaticContact CE1-CE1 3.76Å; Y1023-Y1069 HydrophobicContact CE1-CE1 3.76Å; Y1023-Y1069 AromaticContact CE1-CE2 3.9Å; Y1023-Y1069 HydrophobicContact CE1-CE2 3.9Å; Y1023-Y1069 AromaticContact CE1-CZ 3.4Å; Y1023-Y1069 VanDerWaalsContact CE1-OH 3.24Å; Y1023-Y1069 WeakPolarHBondContact CE1-OH 3.37Å; T1026-Y1069 HydrophobicContact CG2-CE1 4.33Å; F1038-Y1069 HydrophobicContact CE1-CD1 4.11Å; F1038-Y1069 AromaticContact CE1-CG 3.98Å; F1038-Y1069 HydrophobicContact CE1-CG 3.98Å; F1038-Y1069 AromaticContact CE2-CD1 3.6Å; F1038-Y1069 HydrophobicContact CE2-CD1 3.6Å; F1038-Y1069 HydrophobicContact CE2-CE1 4.49Å; F1038-Y1069 HydrophobicContact CE2-CG 4Å; F1038-Y1069 AromaticContact CZ-CD1 3.3Å; F1038-Y1069 HydrophobicContact CZ-CD1 3.3Å; F1038-Y1069 HydrophobicContact CZ-CD2 4.48Å; F1038-Y1069 AromaticContact CZ-CE1 3.91Å; F1038-Y1069 HydrophobicContact CZ-CE1 3.91Å; F1038-Y1069 AromaticContact CZ-CG 3.61Å; F1038-Y1069 HydrophobicContact CZ-CG 3.61Å; I1065-Y1069 HydrophobicContact CG2-CD2 4.02Å; I1065-Y1069 HydrophobicContact CG2-CE2 4.06Å; I1065-Y1069 VanDerWaalsContact O-CD2 3.27Å; I1065-Y1069 WeakPolarHBondContact O-CD2 3.25Å; I1065-Y1069 PolarHBondContact O-N 3.34Å; I1065-Y1069 VanDerWaalsContact O-N 3.12Å; R1067-Y1069 VanDerWaalsContact C-N 3.29Å; R1067-Y1069 PolarHBondContact O-N 3.35Å; Y1069-L1073 VanDerWaalsContact O-CB 3.23Å; Y1069-L1073 WeakPolarHBondContact O-CB 3.09Å; Y1069-L1073 WeakPolarHBondContact O-CG 3.32Å; Y1069-L1073 PolarHBondContact O-N 2.9Å; Y1069-L1105 HydrophobicContact CD1-CD2 4.05Å; Y1069-L1105 HydrophobicContact CD2-CD2 3.64Å; Y1069-L1105 HydrophobicContact CE1-CD2 4.08Å; Y1069-L1105 HydrophobicContact CE2-CB 4.38Å; Y1069-L1105 HydrophobicContact CE2-CD2 3.65Å; Y1069-L1105 HydrophobicContact CG-CD2 3.86Å; Y1069-Q1106 WeakPolarHBondContact OH-CB 3.49Å; Y1069-Q1106 WeakPolarHBondContact OH-CG 3.29Å; Y1069-Q1106 PolarHBondContact OH-N 2.85Å; Y1069-H1109 AromaticContact CE1-CE1 3.9Å; Y1069-H1109 AromaticContact CE1-ND1 3.39Å; Y1069-H1109 WeakPolarHBondContact CE1-ND1 3.24Å; Y1069-H1109 AromaticContact CZ-ND1 3.6Å; Y1069-H1109 PolarHBondContact OH-ND1 2.75Å
1070	I	93.3	Very high	91.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-47.7	179	-69.1	163	0	0	0	110.5	V1035 F1038 R1039 C1066 R1067 S1074 V1212	V1035-I1070 HydrophobicContact CG1-CG2 4.17Å; F1038-I1070 HydrophobicContact CB-CD1 4.01Å; F1038-I1070 HydrophobicContact CB-CG1 3.67Å; R1039-I1070 HydrophobicContact CB-CD1 4.19Å; C1066-I1070 WeakPolarHBondContact O-CB 3.42Å; C1066-I1070 WeakPolarHBondContact O-CD1 3.31Å; C1066-I1070 WeakPolarHBondContact O-CG1 3.23Å; C1066-I1070 PolarHBondContact O-N 2.82Å; R1067-I1070 PolarHBondContact O-N 2.93Å; I1070-S1074 WeakPolarHBondContact O-CB 3.46Å; I1070-S1074 PolarHBondContact O-N 2.8Å; I1070-S1074 PolarHBondContact O-OG 2.86Å; I1070-V1212 HydrophobicContact CB-CG1 4.08Å; I1070-V1212 HydrophobicContact CD1-CG1 3.94Å; I1070-V1212 HydrophobicContact CG2-CB 4.31Å; I1070-V1212 HydrophobicContact CG2-CG1 3.84Å; I1070-V1212 HydrophobicContact CG2-CG2 4.4Å
1071	V	92.1	Very high	90.9	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-47.3	-179.8	174.2	0	0	0	0	110.5	R1067 M1075 I1177 A1179 V1212	R1067-V1071 HydrophobicContact CG-CG2 4.32Å; R1067-V1071 WeakPolarHBondContact O-CG2 3.34Å; R1067-V1071 PolarHBondContact O-N 2.76Å; V1071-M1075 VanDerWaalsContact O-CB 3.3Å; V1071-M1075 WeakPolarHBondContact O-CB 3.25Å; V1071-M1075 PolarHBondContact O-N 2.93Å; V1071-I1177 HydrophobicContact CG1-CB 4.45Å; V1071-I1177 HydrophobicContact CG1-CG2 4.14Å; V1071-A1179 HydrophobicContact CG2-CB 3.87Å; V1071-V1212 HydrophobicContact CG2-CG2 3.6Å
1072	G	90.3	Very high	90.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-48.7	-179	0	0	0	0	0	113.7	E1068 M1075 E1076 F1100	E1068-G1072 PolarHBondContact O-N 2.89Å; G1072-M1075 PolarHBondContact O-N 3.4Å; G1072-E1076 PolarHBondContact O-N 2.98Å; G1072-F1100 VanDerWaalsContact CA-CD2 3.44Å; G1072-F1100 WeakPolarHBondContact O-CE2 3.43Å
1073	L	91.1	Very high	89.9	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-68.5	-37.6	179.2	-65.4	178.7	0	0	0	112.3	T1026 F1031 A1034 V1035 F1038 Y1069 M1075 E1076 I1077 F1100	T1026-L1073 HydrophobicContact CG2-CD1 4.41Å; T1026-L1073 HydrophobicContact CG2-CD2 4.05Å; F1031-L1073 HydrophobicContact CD1-CD2 3.67Å; F1031-L1073 HydrophobicContact CE1-CD2 3.96Å; F1031-L1073 HydrophobicContact CG-CD2 4.17Å; A1034-L1073 HydrophobicContact CB-CD1 4.02Å; V1035-L1073 HydrophobicContact CG2-CB 3.65Å; V1035-L1073 HydrophobicContact CG2-CD1 4.27Å; F1038-L1073 HydrophobicContact CD2-CD1 4.33Å; F1038-L1073 HydrophobicContact CE2-CD1 4.1Å; Y1069-L1073 VanDerWaalsContact O-CB 3.23Å; Y1069-L1073 WeakPolarHBondContact O-CB 3.09Å; Y1069-L1073 WeakPolarHBondContact O-CG 3.32Å; Y1069-L1073 PolarHBondContact O-N 2.9Å; L1073-M1075 VanDerWaalsContact C-N 3.33Å; L1073-E1076 PolarHBondContact O-N 2.91Å; L1073-I1077 VanDerWaalsContact O-CG1 3.28Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.26Å; L1073-I1077 PolarHBondContact O-N 3.38Å; L1073-F1100 HydrophobicContact CD2-CZ 4.28Å
1074	S	91.3	Very high	89.3	Confident	22 Å²	22	43.2 Å²	43.2	15%	0.154	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-37.8	177	-56.9	0	0	0	0	111.4	I1070 I1077 E1078 Y1182	I1070-S1074 WeakPolarHBondContact O-CB 3.46Å; I1070-S1074 PolarHBondContact O-N 2.8Å; I1070-S1074 PolarHBondContact O-OG 2.86Å; S1074-I1077 PolarHBondContact O-N 2.88Å; S1074-E1078 WeakPolarHBondContact O-CG 3.25Å; S1074-E1078 PolarHBondContact O-N 2.9Å; S1074-Y1182 WeakPolarHBondContact CB-OH 3.31Å
1075	M	89.4	Confident	88.6	Confident	1 Å²	1	49 Å²	49	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-41.1	171.9	-178.5	171.4	43.7	0	0	111.8	V1071 G1072 L1073 E1078 R1079 M1096 F1100 I1177 Y1182	V1071-M1075 VanDerWaalsContact O-CB 3.3Å; V1071-M1075 WeakPolarHBondContact O-CB 3.25Å; V1071-M1075 PolarHBondContact O-N 2.93Å; G1072-M1075 PolarHBondContact O-N 3.4Å; L1073-M1075 VanDerWaalsContact C-N 3.33Å; M1075-E1078 PolarHBondContact O-N 3.22Å; M1075-R1079 WeakPolarHBondContact O-CB 3.4Å; M1075-R1079 PolarHBondContact O-N 2.95Å; M1075-M1096 HydrophobicContact CG-CB 4.17Å; M1075-M1096 HydrophobicContact CG-CE 3.66Å; M1075-M1096 VanDerWaalsContact O-CE 3.29Å; M1075-M1096 WeakPolarHBondContact O-CE 3.28Å; M1075-M1096 HydrophobicContact SD-CB 4.39Å; M1075-F1100 HydrophobicContact CE-CB 3.52Å; M1075-F1100 HydrophobicContact CE-CD2 4.03Å; M1075-F1100 HydrophobicContact CE-CG 4.01Å; M1075-I1177 HydrophobicContact CE-CD1 4.12Å; M1075-Y1182 HydrophobicContact CB-CD1 3.67Å; M1075-Y1182 HydrophobicContact CB-CE1 3.85Å; M1075-Y1182 HydrophobicContact CB-CG 4.2Å; M1075-Y1182 HydrophobicContact CG-CD1 3.98Å; M1075-Y1182 HydrophobicContact CG-CG 4.08Å; M1075-Y1182 HydrophobicContact SD-CD1 4.35Å
1076	E	87.9	Confident	88.1	Confident	13 Å²	13	49.6 Å²	49.6	6%	0.061	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-36.8	177.6	-179.9	60.5	-164.8	0	0	112.6	F1031 G1072 L1073 R1079 K1080 F1100	F1031-E1076 HydrophobicContact CD2-CG 4.11Å; F1031-E1076 HydrophobicContact CE2-CG 3.67Å; F1031-E1076 HydrophobicContact CZ-CG 4.44Å; G1072-E1076 PolarHBondContact O-N 2.98Å; L1073-E1076 PolarHBondContact O-N 2.91Å; E1076-R1079 PolarHBondContact O-N 2.74Å; E1076-R1079 IonicContact OE1-CZ 3.98Å; E1076-R1079 IonicContact OE1-NE 2.85Å; E1076-R1079 IonicContact OE1-NH2 2.82Å; E1076-R1079 PolarHBondContact OE1-NH2 3.04Å; E1076-R1079 IonicContact OE2-CZ 2.95Å; E1076-R1079 IonicContact OE2-NE 2.95Å; E1076-R1079 PolarHBondContact OE2-NE 2.78Å; E1076-R1079 IonicContact OE2-NH2 3.77Å; E1076-R1079 PolarHBondContact OE2-NH2 3.26Å; E1076-K1080 WeakPolarHBondContact O-CG 3.49Å; E1076-K1080 PolarHBondContact O-N 3.49Å; E1076-K1080 VanDerWaalsContact O-N 3.13Å; E1076-K1080 WeakPolarHBondContact OE1-CE 3.42Å; E1076-F1100 HydrophobicContact CB-CD1 4.16Å; E1076-F1100 HydrophobicContact CB-CE1 3.83Å; E1076-F1100 HydrophobicContact CG-CE1 4.16Å
1077	I	89.2	Confident	87.5	Confident	24 Å²	24	53.2 Å²	53.2	12%	0.123	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-49.9	172.7	-69.4	161.4	0	0	0	110.1	F1031 E1032 V1035 L1073 S1074 R1079 K1080 K1081	F1031-I1077 HydrophobicContact CB-CD1 3.81Å; F1031-I1077 HydrophobicContact CB-CG1 3.79Å; F1031-I1077 HydrophobicContact CD2-CG1 4.49Å; E1032-I1077 HydrophobicContact CG-CD1 3.9Å; V1035-I1077 HydrophobicContact CG2-CD1 4.35Å; L1073-I1077 VanDerWaalsContact O-CG1 3.28Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.26Å; L1073-I1077 PolarHBondContact O-N 3.38Å; S1074-I1077 PolarHBondContact O-N 2.88Å; I1077-R1079 VanDerWaalsContact C-N 3.35Å; I1077-R1079 PolarHBondContact O-N 2.91Å; I1077-K1080 PolarHBondContact O-N 3.1Å; I1077-K1081 PolarHBondContact O-N 2.62Å
1078	E	86.9	Confident	86.8	Confident	74 Å²	74	58.3 Å²	58.3	35%	0.346	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-37.3	179.3	-71.8	-59.8	129	0	0	112.1	S1074 M1075 K1080 K1081 L1082 M1096 Y1182	S1074-E1078 WeakPolarHBondContact O-CG 3.25Å; S1074-E1078 PolarHBondContact O-N 2.9Å; M1075-E1078 PolarHBondContact O-N 3.22Å; E1078-K1080 VanDerWaalsContact C-N 3.28Å; E1078-K1080 PolarHBondContact O-N 2.82Å; E1078-K1081 PolarHBondContact O-N 3.05Å; E1078-K1081 VanDerWaalsContact O-N 3.14Å; E1078-K1081 IonicContact OE1-NZ 3.83Å; E1078-K1081 PolarHBondContact OE1-NZ 2.79Å; E1078-L1082 PolarHBondContact O-N 3.34Å; E1078-M1096 HydrophobicContact CB-CE 4.06Å; E1078-Y1182 HydrophobicContact CB-CE2 4.18Å; E1078-Y1182 HydrophobicContact CG-CE2 3.9Å
1079	R	88.7	Confident	86.3	Confident	26 Å²	26	59.8 Å²	59.8	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-39.1	174.2	-171.6	-170.8	71	79.8	-0.8	112	M1075 E1076 I1077 K1081 I1093 M1096	M1075-R1079 WeakPolarHBondContact O-CB 3.4Å; M1075-R1079 PolarHBondContact O-N 2.95Å; E1076-R1079 PolarHBondContact O-N 2.74Å; E1076-R1079 IonicContact OE1-CZ 3.98Å; E1076-R1079 IonicContact OE1-NE 2.85Å; E1076-R1079 IonicContact OE1-NH2 2.82Å; E1076-R1079 PolarHBondContact OE1-NH2 3.04Å; E1076-R1079 IonicContact OE2-CZ 2.95Å; E1076-R1079 IonicContact OE2-NE 2.95Å; E1076-R1079 PolarHBondContact OE2-NE 2.78Å; E1076-R1079 IonicContact OE2-NH2 3.77Å; E1076-R1079 PolarHBondContact OE2-NH2 3.26Å; I1077-R1079 VanDerWaalsContact C-N 3.35Å; I1077-R1079 PolarHBondContact O-N 2.91Å; R1079-K1081 VanDerWaalsContact C-N 3.31Å; R1079-I1093 WeakPolarHBondContact CD-O 3.26Å; R1079-I1093 HydrophobicContact CG-CB 4.4Å; R1079-I1093 HydrophobicContact CG-CG1 4.47Å; R1079-I1093 HydrophobicContact CG-CG2 3.91Å; R1079-M1096 HydrophobicContact CB-CB 4.39Å; R1079-M1096 HydrophobicContact CB-CE 4.15Å; R1079-M1096 HydrophobicContact CB-SD 4.46Å; R1079-M1096 HydrophobicContact CG-CB 4.23Å
1080	K	85.3	Confident	85.7	Confident	129 Å²	129	63.1 Å²	63.1	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-70.4	-24.8	178.7	-76	-179.1	178.9	-177.6	0	113.2	E1076 I1077 E1078	E1076-K1080 WeakPolarHBondContact O-CG 3.49Å; E1076-K1080 PolarHBondContact O-N 3.49Å; E1076-K1080 VanDerWaalsContact O-N 3.13Å; E1076-K1080 WeakPolarHBondContact OE1-CE 3.42Å; I1077-K1080 PolarHBondContact O-N 3.1Å; E1078-K1080 VanDerWaalsContact C-N 3.28Å; E1078-K1080 PolarHBondContact O-N 2.82Å
1081	K	86.5	Confident	85.2	Confident	128 Å²	128	65.8 Å²	65.8	56%	0.557	32%	0.317	S	S	*	.	H	α-helix	trans	-78.8	-21.7	178	-67.2	175.7	-173.3	168.9	0	113.6	I1077 E1078 R1079	I1077-K1081 PolarHBondContact O-N 2.62Å; E1078-K1081 PolarHBondContact O-N 3.05Å; E1078-K1081 VanDerWaalsContact O-N 3.14Å; E1078-K1081 IonicContact OE1-NZ 3.83Å; E1078-K1081 PolarHBondContact OE1-NZ 2.79Å; R1079-K1081 VanDerWaalsContact C-N 3.31Å
1082	L	84.2	Confident	84.9	Confident	61 Å²	61	67.6 Å²	67.6	32%	0.319	32%	0.322	S	S	.	.	S	Bend	trans	-70.6	133	-176.8	-70.4	170.5	0	0	0	112.4	E1078 R1092 I1093 M1096	E1078-L1082 PolarHBondContact O-N 3.34Å; L1082-R1092 HydrophobicContact CD1-CG 4.16Å; L1082-I1093 HydrophobicContact CB-CD1 4.2Å; L1082-I1093 HydrophobicContact CB-CG1 4.1Å; L1082-I1093 HydrophobicContact CD1-CG1 4.25Å; L1082-M1096 HydrophobicContact CD1-SD 3.85Å
1083	P	80.4	Confident	84.7	Confident	66 Å²	66	67.9 Å²	67.9	43%	0.429	32%	0.324	S	S	.	.			trans	-66.1	157.1	173.9	24.3	-29.7	0	0	0	112	Q1089	P1083-Q1089 WeakPolarHBondContact O-CB 3.25Å; P1083-Q1089 PolarHBondContact O-OE1 2.9Å
1084	K	80.7	Confident	84.4	Confident	149 Å²	149	67.9 Å²	67.9	65%	0.648	32%	0.324	S	S	*	.			trans	-109.6	13.4	-173.6	-65.1	178.6	-175.8	167	0	114	Q1090 I1093	K1084-Q1090 PolarHBondContact O-NE2 3.05Å; K1084-I1093 HydrophobicContact CG-CD1 3.9Å
1085	E	78.3	Confident	84.2	Confident	178 Å²	178	68.1 Å²	68.1	83%	0.832	32%	0.323	S	S	*	.	S	Bend	trans	-79.5	-37.4	-166.9	-64.7	177.4	-177.8	0	0	112.7
1086	T	83.4	Confident	84	Confident	66 Å²	66	68.3 Å²	68.3	41%	0.405	32%	0.324	S	S	.	.	S	Bend	trans	-100.5	150.4	-179.7	68.9	0	0	0	0	112.8	E1088 Q1089 Q1090	T1086-E1088 VanDerWaalsContact C-N 3.29Å; T1086-E1088 PolarHBondContact O-N 2.8Å; T1086-Q1089 PolarHBondContact O-N 3.26Å; T1086-Q1089 WeakPolarHBondContact OG1-CB 3.22Å; T1086-Q1089 WeakPolarHBondContact OG1-CG 3.4Å; T1086-Q1089 PolarHBondContact OG1-N 3.24Å; T1086-Q1089 PolarHBondContact OG1-OE1 3.25Å; T1086-Q1090 WeakPolarHBondContact O-CG 2.94Å; T1086-Q1090 PolarHBondContact O-N 3.3Å
1087	L	79.6	Confident	84	Confident	76 Å²	76	67.9 Å²	67.9	40%	0.398	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-37.5	178.1	-176.3	66.4	0	0	0	112.1	Q1090 K1091 Y1165	L1087-Q1090 PolarHBondContact O-N 2.73Å; L1087-K1091 WeakPolarHBondContact O-CG 3.22Å; L1087-K1091 PolarHBondContact O-N 3.08Å; L1087-Y1165 HydrophobicContact CD1-CE1 4.03Å; L1087-Y1165 HydrophobicContact CD1-CE2 4.22Å; L1087-Y1165 HydrophobicContact CD2-CD1 4.34Å; L1087-Y1165 HydrophobicContact CD2-CE1 3.82Å; L1087-Y1165 HydrophobicContact CG-CE1 4.48Å
1088	E	78.9	Confident	83.8	Confident	160 Å²	160	66.7 Å²	66.7	75%	0.748	32%	0.316	S	S	*	.	H	α-helix	trans	-65.4	-38.5	177.1	-66.9	-174.2	168.6	0	0	112.5	T1086 K1091 R1092	T1086-E1088 VanDerWaalsContact C-N 3.29Å; T1086-E1088 PolarHBondContact O-N 2.8Å; E1088-K1091 WeakPolarHBondContact O-CB 3.33Å; E1088-K1091 PolarHBondContact O-N 3.47Å; E1088-R1092 PolarHBondContact O-N 3.14Å
1089	Q	81.6	Confident	84	Confident	61 Å²	61	63.2 Å²	63.2	29%	0.285	30%	0.3	S	S	.	.	H	α-helix	trans	-67.2	-39.6	174.7	-70.9	164.6	-2.1	0	0	111.4	P1083 T1086 K1091 R1092 I1093	P1083-Q1089 WeakPolarHBondContact O-CB 3.25Å; P1083-Q1089 PolarHBondContact O-OE1 2.9Å; T1086-Q1089 PolarHBondContact O-N 3.26Å; T1086-Q1089 WeakPolarHBondContact OG1-CB 3.22Å; T1086-Q1089 WeakPolarHBondContact OG1-CG 3.4Å; T1086-Q1089 PolarHBondContact OG1-N 3.24Å; T1086-Q1089 PolarHBondContact OG1-OE1 3.25Å; Q1089-K1091 PolarHBondContact O-N 2.67Å; Q1089-R1092 PolarHBondContact O-N 3.38Å; Q1089-I1093 WeakPolarHBondContact O-CG1 3.21Å; Q1089-I1093 PolarHBondContact O-N 3.11Å
1090	Q	80.4	Confident	84	Confident	73 Å²	73	62.4 Å²	62.4	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-38.7	174.7	-68.2	179.4	3	0	0	112.5	K1084 T1086 L1087 I1093 C1094 L1124	K1084-Q1090 PolarHBondContact O-NE2 3.05Å; T1086-Q1090 WeakPolarHBondContact O-CG 2.94Å; T1086-Q1090 PolarHBondContact O-N 3.3Å; L1087-Q1090 PolarHBondContact O-N 2.73Å; Q1090-I1093 PolarHBondContact O-N 3.03Å; Q1090-C1094 PolarHBondContact O-N 3.21Å; Q1090-C1094 PolarHBondContact O-SG 3.04Å; Q1090-L1124 HydrophobicContact CB-CD1 4.17Å
1091	K	83.4	Confident	84.1	Confident	57 Å²	57	56.3 Å²	56.3	25%	0.248	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-47.1	171.2	-71.8	-177.1	-175.4	-170.2	0	111.2	L1087 E1088 Q1089 I1093 C1094 E1095 L1167	L1087-K1091 WeakPolarHBondContact O-CG 3.22Å; L1087-K1091 PolarHBondContact O-N 3.08Å; E1088-K1091 WeakPolarHBondContact O-CB 3.33Å; E1088-K1091 PolarHBondContact O-N 3.47Å; Q1089-K1091 PolarHBondContact O-N 2.67Å; K1091-I1093 VanDerWaalsContact C-N 3.35Å; K1091-I1093 PolarHBondContact O-N 2.91Å; K1091-C1094 PolarHBondContact O-N 3.41Å; K1091-C1094 VanDerWaalsContact O-N 3.15Å; K1091-E1095 WeakPolarHBondContact O-CG 3.39Å; K1091-E1095 PolarHBondContact O-N 2.96Å; K1091-L1167 HydrophobicContact CB-CD2 3.55Å; K1091-L1167 HydrophobicContact CD-CD2 4.15Å; K1091-L1167 HydrophobicContact CG-CD2 3.62Å
1092	R	85.2	Confident	84.1	Confident	51 Å²	51	53.5 Å²	53.5	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-39.8	179.3	-175.7	59.4	179.3	159.3	6.6	113	L1082 E1088 Q1089 C1094 E1095 M1096 S1181 Y1182	L1082-R1092 HydrophobicContact CD1-CG 4.16Å; E1088-R1092 PolarHBondContact O-N 3.14Å; Q1089-R1092 PolarHBondContact O-N 3.38Å; R1092-C1094 VanDerWaalsContact C-N 3.32Å; R1092-C1094 PolarHBondContact O-N 3.32Å; R1092-E1095 IonicContact NH1-OE2 2.67Å; R1092-E1095 PolarHBondContact NH1-OE2 3.1Å; R1092-E1095 PolarHBondContact O-N 2.82Å; R1092-M1096 HydrophobicContact CG-SD 4.32Å; R1092-M1096 WeakPolarHBondContact O-CG 3.22Å; R1092-M1096 PolarHBondContact O-N 3.3Å; R1092-S1181 PolarHBondContact NH2-O 2.91Å; R1092-Y1182 PolarHBondContact NH1-O 3.06Å; R1092-Y1182 PolarHBondContact NH2-O 3.19Å
1093	I	85.7	Confident	84.2	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-41	175.5	-71	166.8	0	0	0	111	R1079 L1082 K1084 Q1089 Q1090 K1091 A1097 L1120	R1079-I1093 WeakPolarHBondContact CD-O 3.26Å; R1079-I1093 HydrophobicContact CG-CB 4.4Å; R1079-I1093 HydrophobicContact CG-CG1 4.47Å; R1079-I1093 HydrophobicContact CG-CG2 3.91Å; L1082-I1093 HydrophobicContact CB-CD1 4.2Å; L1082-I1093 HydrophobicContact CB-CG1 4.1Å; L1082-I1093 HydrophobicContact CD1-CG1 4.25Å; K1084-I1093 HydrophobicContact CG-CD1 3.9Å; Q1089-I1093 WeakPolarHBondContact O-CG1 3.21Å; Q1089-I1093 PolarHBondContact O-N 3.11Å; Q1090-I1093 PolarHBondContact O-N 3.03Å; K1091-I1093 VanDerWaalsContact C-N 3.35Å; K1091-I1093 PolarHBondContact O-N 2.91Å; I1093-A1097 WeakPolarHBondContact O-CB 3.09Å; I1093-A1097 PolarHBondContact O-N 3.1Å; I1093-A1097 VanDerWaalsContact O-N 3.16Å; I1093-L1120 HydrophobicContact CG2-CD1 4.42Å; I1093-L1120 HydrophobicContact CG2-CD2 4.47Å
1094	C	84.9	Confident	84.4	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.034	26%	0.255	C	S	.	.	H	α-helix	trans	-69.7	-42	177	-65.1	0	0	0	0	111.6	Q1090 K1091 R1092 M1096 A1097 A1098 F1121 L1124 L1167	Q1090-C1094 PolarHBondContact O-N 3.21Å; Q1090-C1094 PolarHBondContact O-SG 3.04Å; K1091-C1094 PolarHBondContact O-N 3.41Å; K1091-C1094 VanDerWaalsContact O-N 3.15Å; R1092-C1094 VanDerWaalsContact C-N 3.32Å; R1092-C1094 PolarHBondContact O-N 3.32Å; C1094-M1096 PolarHBondContact O-N 3.35Å; C1094-A1097 PolarHBondContact O-N 3.43Å; C1094-A1098 PolarHBondContact O-N 3.14Å; C1094-F1121 HydrophobicContact CB-CD2 4.27Å; C1094-F1121 HydrophobicContact CB-CE2 3.81Å; C1094-F1121 HydrophobicContact CB-CZ 3.99Å; C1094-F1121 WeakPolarHBondContact O-CE2 3.3Å; C1094-F1121 WeakPolarHBondContact O-CZ 3.38Å; C1094-L1124 HydrophobicContact CB-CD2 4.32Å; C1094-L1167 HydrophobicContact CB-CD1 4.15Å
1095	E	87	Confident	84.8	Confident	26 Å²	26	47.4 Å²	47.4	12%	0.121	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-49.8	174.2	-75.7	178.7	-180	0	0	112.5	K1091 R1092 A1097 A1098 Y1099 L1167 N1168	K1091-E1095 WeakPolarHBondContact O-CG 3.39Å; K1091-E1095 PolarHBondContact O-N 2.96Å; R1092-E1095 IonicContact NH1-OE2 2.67Å; R1092-E1095 PolarHBondContact NH1-OE2 3.1Å; R1092-E1095 PolarHBondContact O-N 2.82Å; E1095-A1097 VanDerWaalsContact C-N 3.32Å; E1095-A1097 PolarHBondContact O-N 3.28Å; E1095-A1098 WeakPolarHBondContact O-CB 3.48Å; E1095-A1098 PolarHBondContact O-N 3.33Å; E1095-A1098 VanDerWaalsContact O-N 3.11Å; E1095-Y1099 HydrophobicContact CB-CE2 3.79Å; E1095-Y1099 WeakPolarHBondContact O-CD2 3.28Å; E1095-Y1099 WeakPolarHBondContact O-CE2 3.35Å; E1095-Y1099 PolarHBondContact O-N 3.3Å; E1095-L1167 HydrophobicContact CG-CB 4.06Å; E1095-L1167 HydrophobicContact CG-CD2 4.29Å; E1095-N1168 WeakPolarHBondContact OE1-CB 3.41Å; E1095-N1168 PolarHBondContact OE1-N 3.38Å
1096	M	86.8	Confident	85.3	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-39	178.7	-70.1	177.3	72	0	0	112.2	M1075 E1078 R1079 L1082 R1092 C1094 A1098 Y1099 F1100 Y1182	M1075-M1096 HydrophobicContact CG-CB 4.17Å; M1075-M1096 HydrophobicContact CG-CE 3.66Å; M1075-M1096 VanDerWaalsContact O-CE 3.29Å; M1075-M1096 WeakPolarHBondContact O-CE 3.28Å; M1075-M1096 HydrophobicContact SD-CB 4.39Å; E1078-M1096 HydrophobicContact CB-CE 4.06Å; R1079-M1096 HydrophobicContact CB-CB 4.39Å; R1079-M1096 HydrophobicContact CB-CE 4.15Å; R1079-M1096 HydrophobicContact CB-SD 4.46Å; R1079-M1096 HydrophobicContact CG-CB 4.23Å; L1082-M1096 HydrophobicContact CD1-SD 3.85Å; R1092-M1096 HydrophobicContact CG-SD 4.32Å; R1092-M1096 WeakPolarHBondContact O-CG 3.22Å; R1092-M1096 PolarHBondContact O-N 3.3Å; C1094-M1096 PolarHBondContact O-N 3.35Å; M1096-A1098 VanDerWaalsContact C-N 3.34Å; M1096-Y1099 PolarHBondContact O-N 3.09Å; M1096-F1100 PolarHBondContact O-N 2.9Å; M1096-Y1182 HydrophobicContact CE-CD2 4.06Å; M1096-Y1182 HydrophobicContact CE-CG 4.3Å
1097	A	86.4	Confident	85.5	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-64.7	-38.1	174.3	0	0	0	0	0	112	I1093 C1094 E1095 F1100 T1101 A1117 L1120	I1093-A1097 WeakPolarHBondContact O-CB 3.09Å; I1093-A1097 PolarHBondContact O-N 3.1Å; I1093-A1097 VanDerWaalsContact O-N 3.16Å; C1094-A1097 PolarHBondContact O-N 3.43Å; E1095-A1097 VanDerWaalsContact C-N 3.32Å; E1095-A1097 PolarHBondContact O-N 3.28Å; A1097-F1100 PolarHBondContact O-N 2.94Å; A1097-T1101 WeakPolarHBondContact O-CG2 3.45Å; A1097-T1101 PolarHBondContact O-N 3.21Å; A1097-A1117 HydrophobicContact CB-CB 4.37Å; A1097-L1120 HydrophobicContact CB-CD1 3.69Å
1098	A	86.5	Confident	85.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-44.1	175.8	0	0	0	0	0	112.2	C1094 E1095 M1096 F1100 T1101 F1121 F1133 Y1169	C1094-A1098 PolarHBondContact O-N 3.14Å; E1095-A1098 WeakPolarHBondContact O-CB 3.48Å; E1095-A1098 PolarHBondContact O-N 3.33Å; E1095-A1098 VanDerWaalsContact O-N 3.11Å; M1096-A1098 VanDerWaalsContact C-N 3.34Å; A1098-F1100 VanDerWaalsContact C-N 3.26Å; A1098-F1100 PolarHBondContact O-N 3.25Å; A1098-T1101 WeakPolarHBondContact O-CB 3.44Å; A1098-T1101 PolarHBondContact O-N 2.85Å; A1098-T1101 VanDerWaalsContact O-N 3.11Å; A1098-T1101 PolarHBondContact O-OG1 3.02Å; A1098-F1121 HydrophobicContact CB-CE2 3.88Å; A1098-F1121 HydrophobicContact CB-CZ 3.68Å; A1098-F1133 HydrophobicContact CB-CE2 4.4Å; A1098-F1133 HydrophobicContact CB-CZ 3.87Å; A1098-Y1169 HydrophobicContact CB-CD1 4Å; A1098-Y1169 HydrophobicContact CB-CD2 3.95Å; A1098-Y1169 HydrophobicContact CB-CE1 4.02Å; A1098-Y1169 HydrophobicContact CB-CE2 3.97Å; A1098-Y1169 HydrophobicContact CB-CG 3.96Å
1099	Y	89.4	Confident	86.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.3	-38.1	175.7	-53.4	-35.1	0	0	0	111.4	E1095 M1096 T1101 H1102 N1168 Y1169 F1175 I1177 P1184	E1095-Y1099 HydrophobicContact CB-CE2 3.79Å; E1095-Y1099 WeakPolarHBondContact O-CD2 3.28Å; E1095-Y1099 WeakPolarHBondContact O-CE2 3.35Å; E1095-Y1099 PolarHBondContact O-N 3.3Å; M1096-Y1099 PolarHBondContact O-N 3.09Å; Y1099-T1101 PolarHBondContact O-N 2.92Å; Y1099-H1102 PolarHBondContact O-N 3.05Å; Y1099-N1168 PolarHBondContact OH-O 3.35Å; Y1099-Y1169 AromaticContact CD1-CD2 3.9Å; Y1099-Y1169 HydrophobicContact CD1-CD2 3.9Å; Y1099-Y1169 AromaticContact CE1-CD2 3.84Å; Y1099-Y1169 HydrophobicContact CE1-CD2 3.84Å; Y1099-Y1169 HydrophobicContact CE1-CG 4.45Å; Y1099-F1175 AromaticContact CD1-CE2 3.95Å; Y1099-F1175 HydrophobicContact CD1-CE2 3.95Å; Y1099-F1175 AromaticContact CD1-CZ 3.84Å; Y1099-F1175 HydrophobicContact CD1-CZ 3.84Å; Y1099-F1175 HydrophobicContact CG-CE2 4.5Å; Y1099-I1177 WeakPolarHBondContact O-CD1 3.45Å; Y1099-P1184 HydrophobicContact CD1-CB 4.47Å; Y1099-P1184 HydrophobicContact CD1-CG 4.39Å; Y1099-P1184 HydrophobicContact CE1-CB 4.2Å; Y1099-P1184 HydrophobicContact CE1-CG 3.66Å
1100	F	89.3	Confident	86.6	Confident	10 Å²	10	34 Å²	34	4%	0.044	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-28.7	178	-165.2	-160.8	0	0	0	113.4	G1072 L1073 M1075 E1076 M1096 A1097 A1098 H1102 S1103 L1105 V1113	G1072-F1100 VanDerWaalsContact CA-CD2 3.44Å; G1072-F1100 WeakPolarHBondContact O-CE2 3.43Å; L1073-F1100 HydrophobicContact CD2-CZ 4.28Å; M1075-F1100 HydrophobicContact CE-CB 3.52Å; M1075-F1100 HydrophobicContact CE-CD2 4.03Å; M1075-F1100 HydrophobicContact CE-CG 4.01Å; E1076-F1100 HydrophobicContact CB-CD1 4.16Å; E1076-F1100 HydrophobicContact CB-CE1 3.83Å; E1076-F1100 HydrophobicContact CG-CE1 4.16Å; M1096-F1100 PolarHBondContact O-N 2.9Å; A1097-F1100 PolarHBondContact O-N 2.94Å; A1098-F1100 VanDerWaalsContact C-N 3.26Å; A1098-F1100 PolarHBondContact O-N 3.25Å; F1100-H1102 PolarHBondContact O-N 2.93Å; F1100-S1103 PolarHBondContact O-N 2.92Å; F1100-L1105 HydrophobicContact CE2-CD1 3.71Å; F1100-L1105 HydrophobicContact CZ-CD1 4.04Å; F1100-V1113 HydrophobicContact CB-CG1 3.86Å; F1100-V1113 HydrophobicContact CD1-CB 4.22Å; F1100-V1113 HydrophobicContact CD1-CG1 3.42Å; F1100-V1113 VanDerWaalsContact CD1-CG1 3.42Å; F1100-V1113 HydrophobicContact CD1-CG2 3.73Å; F1100-V1113 HydrophobicContact CD2-CG1 4.31Å; F1100-V1113 HydrophobicContact CE1-CB 4.28Å; F1100-V1113 HydrophobicContact CE1-CG1 3.97Å; F1100-V1113 HydrophobicContact CE1-CG2 3.32Å; F1100-V1113 HydrophobicContact CE2-CG2 4.15Å; F1100-V1113 HydrophobicContact CG-CG1 3.61Å; F1100-V1113 HydrophobicContact CG-CG2 4.31Å; F1100-V1113 HydrophobicContact CZ-CG2 3.55Å
1101	T	87.4	Confident	86.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.7	176.1	72	0	0	0	0	113.7	A1097 A1098 Y1099 V1113 L1114 A1117 F1133 R1136	A1097-T1101 WeakPolarHBondContact O-CG2 3.45Å; A1097-T1101 PolarHBondContact O-N 3.21Å; A1098-T1101 WeakPolarHBondContact O-CB 3.44Å; A1098-T1101 PolarHBondContact O-N 2.85Å; A1098-T1101 VanDerWaalsContact O-N 3.11Å; A1098-T1101 PolarHBondContact O-OG1 3.02Å; Y1099-T1101 PolarHBondContact O-N 2.92Å; T1101-V1113 HydrophobicContact CG2-CG1 4.07Å; T1101-L1114 HydrophobicContact CG2-CD2 3.74Å; T1101-L1114 HydrophobicContact CG2-CG 4.38Å; T1101-A1117 HydrophobicContact CG2-CB 3.72Å; T1101-F1133 HydrophobicContact CG2-CD1 4.31Å; T1101-F1133 HydrophobicContact CG2-CE1 4.03Å; T1101-F1133 HydrophobicContact CG2-CZ 4.46Å; T1101-R1136 PolarHBondContact O-NH1 3.02Å; T1101-R1136 VanDerWaalsContact O-NH1 3.1Å; T1101-R1136 PolarHBondContact O-NH2 3.02Å
1102	H	86	Confident	87	Confident	69 Å²	69	33 Å²	33	32%	0.319	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.4	177.9	-76.2	-91.6	0	0	0	113.7	Y1099 F1100 Y1169 F1175	Y1099-H1102 PolarHBondContact O-N 3.05Å; F1100-H1102 PolarHBondContact O-N 2.93Å; H1102-Y1169 AromaticContact CD2-CE2 3.8Å; H1102-Y1169 AromaticContact NE2-CE2 3.56Å; H1102-Y1169 AromaticContact NE2-CZ 3.62Å; H1102-Y1169 PolarHBondContact NE2-OH 2.61Å; H1102-F1175 HydrophobicContact CB-CE2 4.45Å; H1102-F1175 HydrophobicContact CB-CZ 4.2Å; H1102-F1175 AromaticContact CD2-CZ 3.68Å; H1102-F1175 AromaticContact CG-CZ 3.89Å
1103	S	85.9	Confident	87.2	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.014	17%	0.168	C	C	.	.	S	Bend	trans	-69.7	141	173.7	-61.2	0	0	0	0	111.5	F1100 L1105 M1110	F1100-S1103 PolarHBondContact O-N 2.92Å; S1103-L1105 PolarHBondContact O-N 3.41Å; S1103-M1110 WeakPolarHBondContact O-CE 3.24Å
1104	N	86.4	Confident	87.3	Confident	120 Å²	120	31 Å²	31	64%	0.642	17%	0.167	S	C	*	.			trans	-80.3	87	179.8	-71.6	-41.6	0	0	0	111.4	E1068	E1068-N1104 HydrophobicContact CG-CB 4.11Å; E1068-N1104 PolarHBondContact OE2-N 3.4Å
1105	L	88.9	Confident	87.4	Confident	26 Å²	26	35.1 Å²	35.1	14%	0.136	18%	0.182	C	C	.	.			trans	-106.1	161.1	179.9	-53.2	176.2	0	0	0	111.9	Y1069 F1100 S1103 H1109 M1110 V1113	Y1069-L1105 HydrophobicContact CD1-CD2 4.05Å; Y1069-L1105 HydrophobicContact CD2-CD2 3.64Å; Y1069-L1105 HydrophobicContact CE1-CD2 4.08Å; Y1069-L1105 HydrophobicContact CE2-CB 4.38Å; Y1069-L1105 HydrophobicContact CE2-CD2 3.65Å; Y1069-L1105 HydrophobicContact CG-CD2 3.86Å; F1100-L1105 HydrophobicContact CE2-CD1 3.71Å; F1100-L1105 HydrophobicContact CZ-CD1 4.04Å; S1103-L1105 PolarHBondContact O-N 3.41Å; L1105-H1109 HydrophobicContact CB-CB 4.35Å; L1105-H1109 HydrophobicContact CD1-CB 4.45Å; L1105-M1110 HydrophobicContact CB-CE 4.26Å; L1105-M1110 HydrophobicContact CD1-CE 4.44Å; L1105-M1110 HydrophobicContact CG-CE 4.37Å; L1105-V1113 HydrophobicContact CD1-CG2 3.9Å
1106	Q	88.2	Confident	87.4	Confident	74 Å²	74	36.3 Å²	36.3	35%	0.346	19%	0.191	S	C	.	.			trans	-58.8	147.6	167.9	-75.5	-166.1	-12.4	0	0	111.5	Y1023 Y1069 V1108 H1109 M1110	Y1023-Q1106 HydrophobicContact CE1-CG 4.46Å; Y1023-Q1106 HydrophobicContact CE2-CG 4.49Å; Y1069-Q1106 WeakPolarHBondContact OH-CB 3.49Å; Y1069-Q1106 WeakPolarHBondContact OH-CG 3.29Å; Y1069-Q1106 PolarHBondContact OH-N 2.85Å; Q1106-V1108 PolarHBondContact O-N 2.93Å; Q1106-V1108 VanDerWaalsContact O-N 3.11Å; Q1106-H1109 PolarHBondContact O-N 2.92Å; Q1106-M1110 PolarHBondContact O-N 2.79Å
1107	P	86.9	Confident	87.4	Confident	80 Å²	80	36 Å²	36	52%	0.519	19%	0.19	S	C	.	.	H	α-helix	trans	-51.9	-40	-175.8	-29.5	35.4	0	0	0	114.1	H1109 M1110 I1111	P1107-H1109 PolarHBondContact O-N 2.89Å; P1107-M1110 PolarHBondContact O-N 2.9Å; P1107-I1111 VanDerWaalsContact O-CG1 3.29Å; P1107-I1111 WeakPolarHBondContact O-CG1 3.39Å; P1107-I1111 PolarHBondContact O-N 2.84Å
1108	V	86.6	Confident	87.5	Confident	87 Å²	87	36 Å²	36	53%	0.527	19%	0.189	S	C	.	.	H	α-helix	trans	-59.8	-43	179.6	-178.5	0	0	0	0	112	Q1106	Q1106-V1108 PolarHBondContact O-N 2.93Å; Q1106-V1108 VanDerWaalsContact O-N 3.11Å
1109	H	89.6	Confident	87.6	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-77.2	-36.7	178.1	-55.8	136.9	0	0	0	111.7	Y1023 T1027 Y1069 L1105 Q1106 P1107 I1111 L1112 V1113	Y1023-H1109 AromaticContact CD1-CE1 3.7Å; Y1023-H1109 AromaticContact CG-CE1 4Å; Y1023-H1109 PolarHBondContact O-NE2 2.84Å; T1027-H1109 PolarHBondContact OG1-NE2 3.26Å; Y1069-H1109 AromaticContact CE1-CE1 3.9Å; Y1069-H1109 AromaticContact CE1-ND1 3.39Å; Y1069-H1109 WeakPolarHBondContact CE1-ND1 3.24Å; Y1069-H1109 AromaticContact CZ-ND1 3.6Å; Y1069-H1109 PolarHBondContact OH-ND1 2.75Å; L1105-H1109 HydrophobicContact CB-CB 4.35Å; L1105-H1109 HydrophobicContact CD1-CB 4.45Å; Q1106-H1109 PolarHBondContact O-N 2.92Å; P1107-H1109 PolarHBondContact O-N 2.89Å; H1109-I1111 VanDerWaalsContact C-N 3.26Å; H1109-I1111 PolarHBondContact O-N 2.98Å; H1109-L1112 WeakPolarHBondContact O-CB 3.19Å; H1109-L1112 PolarHBondContact O-N 3.24Å; H1109-V1113 WeakPolarHBondContact O-CG2 3.21Å; H1109-V1113 PolarHBondContact O-N 2.94Å; H1109-V1113 VanDerWaalsContact O-N 3.12Å
1110	M	87.7	Confident	87.4	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.069	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-37.5	177	-177.2	55.2	69	0	0	112	S1103 L1105 Q1106 P1107 L1112 V1113 L1114 L1140	S1103-M1110 WeakPolarHBondContact O-CE 3.24Å; L1105-M1110 HydrophobicContact CB-CE 4.26Å; L1105-M1110 HydrophobicContact CD1-CE 4.44Å; L1105-M1110 HydrophobicContact CG-CE 4.37Å; Q1106-M1110 PolarHBondContact O-N 2.79Å; P1107-M1110 PolarHBondContact O-N 2.9Å; M1110-L1112 VanDerWaalsContact C-N 3.3Å; M1110-L1112 PolarHBondContact O-N 3.25Å; M1110-V1113 PolarHBondContact O-N 2.69Å; M1110-L1114 HydrophobicContact CG-CD1 3.86Å; M1110-L1114 HydrophobicContact CG-CG 4.4Å; M1110-L1114 WeakPolarHBondContact O-CB 3.45Å; M1110-L1114 PolarHBondContact O-N 3.42Å; M1110-L1114 HydrophobicContact SD-CD1 4.08Å; M1110-L1114 HydrophobicContact SD-CG 4.04Å; M1110-L1140 HydrophobicContact CB-CD1 4.11Å; M1110-L1140 HydrophobicContact CG-CD1 3.55Å
1111	I	87.1	Confident	87.3	Confident	32 Å²	32	39.9 Å²	39.9	16%	0.164	21%	0.21	C	C	.	.	H	α-helix	trans	-57.2	-42.1	172.7	-72.1	164.3	0	0	0	111.5	P1107 H1109 R1115 L1137 L1140 P1142	P1107-I1111 VanDerWaalsContact O-CG1 3.29Å; P1107-I1111 WeakPolarHBondContact O-CG1 3.39Å; P1107-I1111 PolarHBondContact O-N 2.84Å; H1109-I1111 VanDerWaalsContact C-N 3.26Å; H1109-I1111 PolarHBondContact O-N 2.98Å; I1111-R1115 VanDerWaalsContact O-CB 3.29Å; I1111-R1115 WeakPolarHBondContact O-CB 3.42Å; I1111-R1115 PolarHBondContact O-N 3.33Å; I1111-L1137 HydrophobicContact CB-CD1 4.26Å; I1111-L1137 HydrophobicContact CG1-CD1 4.4Å; I1111-L1137 HydrophobicContact CG2-CD1 3.9Å; I1111-L1140 HydrophobicContact CD1-CB 4.27Å; I1111-L1140 HydrophobicContact CG1-CB 3.86Å; I1111-L1140 HydrophobicContact CG1-CD1 4.23Å; I1111-P1142 HydrophobicContact CG2-CB 4.02Å
1112	L	85.7	Confident	87.2	Confident	77 Å²	77	43.3 Å²	43.3	40%	0.403	23%	0.225	S	C	.	.	H	α-helix	trans	-67	-41.2	179	-61.8	173.5	0	0	0	111.8	H1109 M1110 T1116	H1109-L1112 WeakPolarHBondContact O-CB 3.19Å; H1109-L1112 PolarHBondContact O-N 3.24Å; M1110-L1112 VanDerWaalsContact C-N 3.3Å; M1110-L1112 PolarHBondContact O-N 3.25Å; L1112-T1116 PolarHBondContact O-N 3.46Å; L1112-T1116 VanDerWaalsContact O-N 3.1Å; L1112-T1116 PolarHBondContact O-OG1 3.23Å
1113	V	88.5	Confident	87.2	Confident	13 Å²	13	48.3 Å²	48.3	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-49.7	179.1	179.6	0	0	0	0	111	F1100 T1101 L1105 H1109 M1110 R1115 T1116 A1117	F1100-V1113 HydrophobicContact CB-CG1 3.86Å; F1100-V1113 HydrophobicContact CD1-CB 4.22Å; F1100-V1113 HydrophobicContact CD1-CG1 3.42Å; F1100-V1113 VanDerWaalsContact CD1-CG1 3.42Å; F1100-V1113 HydrophobicContact CD1-CG2 3.73Å; F1100-V1113 HydrophobicContact CD2-CG1 4.31Å; F1100-V1113 HydrophobicContact CE1-CB 4.28Å; F1100-V1113 HydrophobicContact CE1-CG1 3.97Å; F1100-V1113 HydrophobicContact CE1-CG2 3.32Å; F1100-V1113 HydrophobicContact CE2-CG2 4.15Å; F1100-V1113 HydrophobicContact CG-CG1 3.61Å; F1100-V1113 HydrophobicContact CG-CG2 4.31Å; F1100-V1113 HydrophobicContact CZ-CG2 3.55Å; T1101-V1113 HydrophobicContact CG2-CG1 4.07Å; L1105-V1113 HydrophobicContact CD1-CG2 3.9Å; H1109-V1113 WeakPolarHBondContact O-CG2 3.21Å; H1109-V1113 PolarHBondContact O-N 2.94Å; H1109-V1113 VanDerWaalsContact O-N 3.12Å; M1110-V1113 PolarHBondContact O-N 2.69Å; V1113-R1115 VanDerWaalsContact C-N 3.33Å; V1113-R1115 PolarHBondContact O-N 2.75Å; V1113-T1116 WeakPolarHBondContact O-CB 3.31Å; V1113-T1116 PolarHBondContact O-N 2.92Å; V1113-T1116 VanDerWaalsContact O-N 3.1Å; V1113-A1117 PolarHBondContact O-N 3.24Å
1114	L	87.4	Confident	87.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-38.4	178.4	-77.8	166.9	0	0	0	112.4	T1101 M1110 T1116 A1117 L1118 F1133 R1136 L1137 L1140	T1101-L1114 HydrophobicContact CG2-CD2 3.74Å; T1101-L1114 HydrophobicContact CG2-CG 4.38Å; M1110-L1114 HydrophobicContact CG-CD1 3.86Å; M1110-L1114 HydrophobicContact CG-CG 4.4Å; M1110-L1114 WeakPolarHBondContact O-CB 3.45Å; M1110-L1114 PolarHBondContact O-N 3.42Å; M1110-L1114 HydrophobicContact SD-CD1 4.08Å; M1110-L1114 HydrophobicContact SD-CG 4.04Å; L1114-T1116 VanDerWaalsContact C-N 3.31Å; L1114-T1116 PolarHBondContact O-N 2.93Å; L1114-A1117 PolarHBondContact O-N 2.74Å; L1114-L1118 VanDerWaalsContact O-CB 3.23Å; L1114-L1118 WeakPolarHBondContact O-CB 3.33Å; L1114-L1118 PolarHBondContact O-N 3.01Å; L1114-F1133 HydrophobicContact CD2-CB 4.34Å; L1114-F1133 HydrophobicContact CD2-CD1 3.88Å; L1114-F1133 HydrophobicContact CD2-CG 4.45Å; L1114-R1136 HydrophobicContact CD1-CB 4.11Å; L1114-R1136 HydrophobicContact CD2-CB 4.24Å; L1114-L1137 HydrophobicContact CB-CB 4.23Å; L1114-L1137 HydrophobicContact CB-CD1 4.05Å; L1114-L1140 HydrophobicContact CD1-CD1 3.52Å
1115	R	87.8	Confident	87	Confident	92 Å²	92	49.7 Å²	49.7	35%	0.347	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-40.5	173.9	-173.2	-178.6	-174.5	-167.2	2.8	111.7	I1111 V1113 N1119 L1137	I1111-R1115 VanDerWaalsContact O-CB 3.29Å; I1111-R1115 WeakPolarHBondContact O-CB 3.42Å; I1111-R1115 PolarHBondContact O-N 3.33Å; V1113-R1115 VanDerWaalsContact C-N 3.33Å; V1113-R1115 PolarHBondContact O-N 2.75Å; R1115-N1119 PolarHBondContact O-N 3.49Å; R1115-N1119 PolarHBondContact O-ND2 2.99Å; R1115-L1137 HydrophobicContact CB-CD2 4.24Å
1116	T	87.6	Confident	86.8	Confident	52 Å²	52	48.5 Å²	48.5	32%	0.319	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-46.2	178.5	-57.4	0	0	0	0	111.1	L1112 V1113 L1114 N1119 L1120	L1112-T1116 PolarHBondContact O-N 3.46Å; L1112-T1116 VanDerWaalsContact O-N 3.1Å; L1112-T1116 PolarHBondContact O-OG1 3.23Å; V1113-T1116 WeakPolarHBondContact O-CB 3.31Å; V1113-T1116 PolarHBondContact O-N 2.92Å; V1113-T1116 VanDerWaalsContact O-N 3.1Å; L1114-T1116 VanDerWaalsContact C-N 3.31Å; L1114-T1116 PolarHBondContact O-N 2.93Å; T1116-N1119 PolarHBondContact O-N 2.91Å; T1116-L1120 HydrophobicContact CG2-CD1 4.15Å; T1116-L1120 WeakPolarHBondContact O-CG 3.41Å; T1116-L1120 PolarHBondContact O-N 2.72Å
1117	A	86.9	Confident	86.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-47.1	175.7	0	0	0	0	0	111.8	A1097 T1101 V1113 L1114 N1119 L1120 F1121 F1133	A1097-A1117 HydrophobicContact CB-CB 4.37Å; T1101-A1117 HydrophobicContact CG2-CB 3.72Å; V1113-A1117 PolarHBondContact O-N 3.24Å; L1114-A1117 PolarHBondContact O-N 2.74Å; A1117-N1119 VanDerWaalsContact C-N 3.32Å; A1117-N1119 PolarHBondContact O-N 2.77Å; A1117-L1120 PolarHBondContact O-N 3.33Å; A1117-L1120 VanDerWaalsContact O-N 3.14Å; A1117-F1121 VanDerWaalsContact O-CD2 3.3Å; A1117-F1121 WeakPolarHBondContact O-CD2 3.2Å; A1117-F1121 PolarHBondContact O-N 3.36Å; A1117-F1133 HydrophobicContact CB-CD2 4.19Å; A1117-F1133 HydrophobicContact CB-CE2 4.27Å
1118	L	87.8	Confident	86.5	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-53.5	-48.2	177.4	176.4	62.3	0	0	0	112	L1114 L1120 F1122 A1130 F1133 A1134 L1137 T1150 I1153	L1114-L1118 VanDerWaalsContact O-CB 3.23Å; L1114-L1118 WeakPolarHBondContact O-CB 3.33Å; L1114-L1118 PolarHBondContact O-N 3.01Å; L1118-L1120 PolarHBondContact O-N 2.8Å; L1118-F1122 VanDerWaalsContact O-CB 3.26Å; L1118-F1122 WeakPolarHBondContact O-CB 3.36Å; L1118-F1122 PolarHBondContact O-N 2.82Å; L1118-A1130 HydrophobicContact CD1-CB 4.08Å; L1118-A1130 WeakPolarHBondContact CD1-O 3.33Å; L1118-F1133 HydrophobicContact CB-CB 4.48Å; L1118-A1134 HydrophobicContact CD1-CB 3.8Å; L1118-A1134 HydrophobicContact CD2-CB 4.08Å; L1118-L1137 HydrophobicContact CD2-CD2 4.04Å; L1118-T1150 HydrophobicContact CD2-CG2 3.87Å; L1118-I1153 HydrophobicContact CD1-CG2 3.91Å; L1118-I1153 HydrophobicContact CD2-CD1 4.34Å; L1118-I1153 HydrophobicContact CD2-CG2 4.42Å; L1118-I1153 HydrophobicContact CG-CG2 4.25Å
1119	N	87.6	Confident	86.4	Confident	57 Å²	57	46.5 Å²	46.5	31%	0.305	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-35.8	-179.4	-75.3	-31.3	0	0	0	113	R1115 T1116 A1117 K1123	R1115-N1119 PolarHBondContact O-N 3.49Å; R1115-N1119 PolarHBondContact O-ND2 2.99Å; T1116-N1119 PolarHBondContact O-N 2.91Å; A1117-N1119 VanDerWaalsContact C-N 3.32Å; A1117-N1119 PolarHBondContact O-N 2.77Å; N1119-K1123 VanDerWaalsContact O-CG 3.28Å; N1119-K1123 WeakPolarHBondContact O-CG 3.35Å; N1119-K1123 PolarHBondContact O-N 2.91Å
1120	L	85.9	Confident	86.2	Confident	36 Å²	36	46.2 Å²	46.2	19%	0.188	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-46.7	178.9	-69.6	167.2	0	0	0	111.4	I1093 A1097 T1116 A1117 L1118 F1122 K1123 L1124	I1093-L1120 HydrophobicContact CG2-CD1 4.42Å; I1093-L1120 HydrophobicContact CG2-CD2 4.47Å; A1097-L1120 HydrophobicContact CB-CD1 3.69Å; T1116-L1120 HydrophobicContact CG2-CD1 4.15Å; T1116-L1120 WeakPolarHBondContact O-CG 3.41Å; T1116-L1120 PolarHBondContact O-N 2.72Å; A1117-L1120 PolarHBondContact O-N 3.33Å; A1117-L1120 VanDerWaalsContact O-N 3.14Å; L1118-L1120 PolarHBondContact O-N 2.8Å; L1120-F1122 PolarHBondContact O-N 2.87Å; L1120-K1123 PolarHBondContact O-N 2.92Å; L1120-L1124 PolarHBondContact O-N 2.89Å
1121	F	86.8	Confident	86.1	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.3	-36	179.3	-83.8	-105.1	0	0	0	112.5	C1094 A1098 A1117 L1124 K1125 N1126 T1129 A1130 F1133 L1167	C1094-F1121 HydrophobicContact CB-CD2 4.27Å; C1094-F1121 HydrophobicContact CB-CE2 3.81Å; C1094-F1121 HydrophobicContact CB-CZ 3.99Å; C1094-F1121 WeakPolarHBondContact O-CE2 3.3Å; C1094-F1121 WeakPolarHBondContact O-CZ 3.38Å; A1098-F1121 HydrophobicContact CB-CE2 3.88Å; A1098-F1121 HydrophobicContact CB-CZ 3.68Å; A1117-F1121 VanDerWaalsContact O-CD2 3.3Å; A1117-F1121 WeakPolarHBondContact O-CD2 3.2Å; A1117-F1121 PolarHBondContact O-N 3.36Å; F1121-L1124 PolarHBondContact O-N 2.83Å; F1121-K1125 PolarHBondContact O-N 2.85Å; F1121-N1126 HydrophobicContact CD1-CB 3.96Å; F1121-N1126 PolarHBondContact O-N 2.72Å; F1121-T1129 HydrophobicContact CD1-CG2 3.72Å; F1121-T1129 HydrophobicContact CE1-CG2 3.58Å; F1121-T1129 HydrophobicContact CZ-CG2 4.38Å; F1121-A1130 HydrophobicContact CB-CB 3.97Å; F1121-F1133 HydrophobicContact CD1-CE2 4.3Å; F1121-F1133 HydrophobicContact CD2-CD2 4.34Å; F1121-F1133 AromaticContact CD2-CE2 3.84Å; F1121-F1133 HydrophobicContact CD2-CE2 3.84Å; F1121-F1133 HydrophobicContact CE1-CE2 4.28Å; F1121-F1133 AromaticContact CE2-CE2 3.81Å; F1121-F1133 HydrophobicContact CE2-CE2 3.81Å; F1121-F1133 HydrophobicContact CG-CD2 4.42Å; F1121-F1133 HydrophobicContact CG-CE2 4.09Å; F1121-F1133 HydrophobicContact CZ-CE2 4.06Å; F1121-L1167 HydrophobicContact CD1-CD1 4.38Å; F1121-L1167 HydrophobicContact CE1-CD1 3.46Å; F1121-L1167 VanDerWaalsContact CE1-CD1 3.46Å; F1121-L1167 HydrophobicContact CZ-CD1 3.75Å
1122	F	86.1	Confident	86.1	Confident	71 Å²	71	46.4 Å²	46.4	31%	0.311	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-41.4	173.7	-172.3	-102.2	0	0	0	112	L1118 L1120 L1124 K1125 F1127 I1153 A1156	L1118-F1122 VanDerWaalsContact O-CB 3.26Å; L1118-F1122 WeakPolarHBondContact O-CB 3.36Å; L1118-F1122 PolarHBondContact O-N 2.82Å; L1120-F1122 PolarHBondContact O-N 2.87Å; F1122-L1124 VanDerWaalsContact C-N 3.34Å; F1122-L1124 PolarHBondContact O-N 2.79Å; F1122-K1125 PolarHBondContact O-N 3.04Å; F1122-F1127 AromaticContact CD2-CD1 3.89Å; F1122-F1127 HydrophobicContact CD2-CD1 3.89Å; F1122-F1127 AromaticContact CD2-CE1 3.74Å; F1122-F1127 HydrophobicContact CD2-CE1 3.74Å; F1122-F1127 HydrophobicContact CE2-CD1 4.04Å; F1122-F1127 AromaticContact CE2-CE1 3.68Å; F1122-F1127 HydrophobicContact CE2-CE1 3.68Å; F1122-F1127 HydrophobicContact CG-CE1 4.5Å; F1122-F1127 HydrophobicContact CZ-CE1 4.4Å; F1122-I1153 HydrophobicContact CB-CG2 4.47Å; F1122-I1153 HydrophobicContact CD2-CG2 3.62Å; F1122-I1153 HydrophobicContact CE2-CG2 3.99Å; F1122-I1153 HydrophobicContact CG-CG2 4.06Å; F1122-A1156 HydrophobicContact CE2-CB 4.1Å; F1122-A1156 HydrophobicContact CZ-CB 4.32Å
1123	K	84.9	Confident	86.3	Confident	174 Å²	174	42.8 Å²	42.8	76%	0.757	20%	0.202	S	C	*	.	H	α-helix	trans	-65.5	-34.6	175.6	-76.1	177.8	-178.7	-172.9	0	112.9	N1119 L1120 K1125	N1119-K1123 VanDerWaalsContact O-CG 3.28Å; N1119-K1123 WeakPolarHBondContact O-CG 3.35Å; N1119-K1123 PolarHBondContact O-N 2.91Å; L1120-K1123 PolarHBondContact O-N 2.92Å; K1123-K1125 PolarHBondContact O-N 3.34Å
1124	L	83.8	Confident	86.1	Confident	15 Å²	15	42.1 Å²	42.1	8%	0.079	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	3.5	176.8	-154.3	74.7	0	0	0	113.2	Q1090 C1094 L1120 F1121 F1122 N1126 Y1165	Q1090-L1124 HydrophobicContact CB-CD1 4.17Å; C1094-L1124 HydrophobicContact CB-CD2 4.32Å; L1120-L1124 PolarHBondContact O-N 2.89Å; F1121-L1124 PolarHBondContact O-N 2.83Å; F1122-L1124 VanDerWaalsContact C-N 3.34Å; F1122-L1124 PolarHBondContact O-N 2.79Å; L1124-N1126 PolarHBondContact O-N 3.1Å; L1124-Y1165 HydrophobicContact CD2-CD2 4.24Å; L1124-Y1165 HydrophobicContact CG-CD2 3.93Å; L1124-Y1165 HydrophobicContact CG-CE2 4.29Å
1125	K	85	Confident	86.2	Confident	136 Å²	136	48.1 Å²	48.1	59%	0.591	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	29.7	-176.9	-55.2	-179.4	179.6	178.6	0	113.9	F1121 F1122 K1123 F1127 A1164	F1121-K1125 PolarHBondContact O-N 2.85Å; F1122-K1125 PolarHBondContact O-N 3.04Å; K1123-K1125 PolarHBondContact O-N 3.34Å; K1125-F1127 HydrophobicContact CB-CE2 3.94Å; K1125-F1127 HydrophobicContact CB-CZ 3.94Å; K1125-F1127 HydrophobicContact CG-CE2 4.43Å; K1125-F1127 HydrophobicContact CG-CZ 4.08Å; K1125-F1127 PolarHBondContact O-N 3.35Å; K1125-A1164 HydrophobicContact CB-CB 4.04Å; K1125-A1164 PolarHBondContact O-N 3.25Å
1126	N	85.3	Confident	86.2	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.011	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-93.7	74.8	171.7	-80.4	1.3	0	0	0	109.9	F1121 L1124 A1130 D1163 A1164 Y1165	F1121-N1126 HydrophobicContact CD1-CB 3.96Å; F1121-N1126 PolarHBondContact O-N 2.72Å; L1124-N1126 PolarHBondContact O-N 3.1Å; N1126-A1130 VanDerWaalsContact O-CB 3.27Å; N1126-A1130 WeakPolarHBondContact O-CB 3.24Å; N1126-A1130 PolarHBondContact O-N 3Å; N1126-A1130 VanDerWaalsContact O-N 3.1Å; N1126-D1163 VanDerWaalsContact CA-OD1 3.23Å; N1126-D1163 WeakPolarHBondContact CA-OD1 3.18Å; N1126-D1163 HydrophobicContact CB-CB 4.39Å; N1126-D1163 WeakPolarHBondContact CB-OD1 3.15Å; N1126-A1164 PolarHBondContact OD1-N 3.1Å; N1126-Y1165 PolarHBondContact ND2-O 3.3Å; N1126-Y1165 PolarHBondContact OD1-N 2.78Å
1127	F	84.8	Confident	86.2	Confident	35 Å²	35	44.7 Å²	44.7	15%	0.154	20%	0.202	C	C	.	.	H	α-helix	trans	-73.6	-30	-166.8	-62.4	-55.5	0	0	0	113.8	F1122 K1125 A1131 C1157 N1160 A1162 D1163	F1122-F1127 AromaticContact CD2-CD1 3.89Å; F1122-F1127 HydrophobicContact CD2-CD1 3.89Å; F1122-F1127 AromaticContact CD2-CE1 3.74Å; F1122-F1127 HydrophobicContact CD2-CE1 3.74Å; F1122-F1127 HydrophobicContact CE2-CD1 4.04Å; F1122-F1127 AromaticContact CE2-CE1 3.68Å; F1122-F1127 HydrophobicContact CE2-CE1 3.68Å; F1122-F1127 HydrophobicContact CG-CE1 4.5Å; F1122-F1127 HydrophobicContact CZ-CE1 4.4Å; K1125-F1127 HydrophobicContact CB-CE2 3.94Å; K1125-F1127 HydrophobicContact CB-CZ 3.94Å; K1125-F1127 HydrophobicContact CG-CE2 4.43Å; K1125-F1127 HydrophobicContact CG-CZ 4.08Å; K1125-F1127 PolarHBondContact O-N 3.35Å; F1127-A1131 WeakPolarHBondContact O-CB 3.19Å; F1127-A1131 PolarHBondContact O-N 2.88Å; F1127-C1157 HydrophobicContact CB-CB 4.06Å; F1127-C1157 WeakPolarHBondContact O-CB 3.31Å; F1127-N1160 WeakPolarHBondContact CB-O 3.36Å; F1127-N1160 WeakPolarHBondContact CD2-O 3.23Å; F1127-A1162 PolarHBondContact N-O 2.78Å; F1127-D1163 PolarHBondContact N-OD1 2.93Å
1128	K	84.3	Confident	86.3	Confident	137 Å²	137	46.8 Å²	46.8	60%	0.596	21%	0.213	S	C	*	.	H	α-helix	trans	-69	-45	-179.5	-178.1	-177.3	-179.4	179.6	0	110.7	D1163	K1128-D1163 WeakPolarHBondContact CB-OD1 3.16Å; K1128-D1163 PolarHBondContact N-OD1 2.92Å
1129	T	84.3	Confident	86.3	Confident	27 Å²	27	54.2 Å²	54.2	17%	0.166	25%	0.247	C	C	.	.	H	α-helix	trans	-72.3	-37.4	176.9	-57.3	0	0	0	0	112	F1121 A1131 T1132 F1133 D1163 Y1169	F1121-T1129 HydrophobicContact CD1-CG2 3.72Å; F1121-T1129 HydrophobicContact CE1-CG2 3.58Å; F1121-T1129 HydrophobicContact CZ-CG2 4.38Å; T1129-A1131 VanDerWaalsContact C-N 3.35Å; T1129-A1131 PolarHBondContact O-N 2.71Å; T1129-T1132 PolarHBondContact O-N 3.49Å; T1129-F1133 HydrophobicContact CG2-CD2 4.26Å; T1129-F1133 HydrophobicContact CG2-CE2 3.64Å; T1129-F1133 HydrophobicContact CG2-CZ 3.99Å; T1129-F1133 PolarHBondContact O-N 3.5Å; T1129-D1163 PolarHBondContact N-OD1 3.35Å; T1129-D1163 PolarHBondContact OG1-OD2 2.87Å; T1129-Y1169 HydrophobicContact CG2-CD1 4.3Å; T1129-Y1169 HydrophobicContact CG2-CE1 4.03Å
1130	A	85.4	Confident	86.2	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-40.5	174.2	0	0	0	0	0	112.6	L1118 F1121 N1126 T1132 F1133 A1134	L1118-A1130 HydrophobicContact CD1-CB 4.08Å; L1118-A1130 WeakPolarHBondContact CD1-O 3.33Å; F1121-A1130 HydrophobicContact CB-CB 3.97Å; N1126-A1130 VanDerWaalsContact O-CB 3.27Å; N1126-A1130 WeakPolarHBondContact O-CB 3.24Å; N1126-A1130 PolarHBondContact O-N 3Å; N1126-A1130 VanDerWaalsContact O-N 3.1Å; A1130-T1132 VanDerWaalsContact C-N 3.29Å; A1130-T1132 PolarHBondContact O-N 3.44Å; A1130-F1133 PolarHBondContact O-N 2.83Å; A1130-A1134 PolarHBondContact O-N 2.87Å
1131	A	85.5	Confident	86.2	Confident	10 Å²	10	55.7 Å²	55.7	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-40.6	176.7	0	0	0	0	0	112.1	F1127 T1129 A1134 R1135 L1154 C1157	F1127-A1131 WeakPolarHBondContact O-CB 3.19Å; F1127-A1131 PolarHBondContact O-N 2.88Å; T1129-A1131 VanDerWaalsContact C-N 3.35Å; T1129-A1131 PolarHBondContact O-N 2.71Å; A1131-A1134 WeakPolarHBondContact O-CB 3.48Å; A1131-A1134 PolarHBondContact O-N 3.13Å; A1131-R1135 WeakPolarHBondContact O-CG 3.37Å; A1131-R1135 PolarHBondContact O-N 3.07Å; A1131-L1154 HydrophobicContact CB-CD1 3.8Å; A1131-C1157 HydrophobicContact CB-CB 3.97Å
1132	T	86.9	Confident	86.1	Confident	40 Å²	40	56.4 Å²	56.4	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-41.6	177.8	-50.9	0	0	0	0	112.7	T1129 A1130 A1134 R1135 R1136 M1171	T1129-T1132 PolarHBondContact O-N 3.49Å; A1130-T1132 VanDerWaalsContact C-N 3.29Å; A1130-T1132 PolarHBondContact O-N 3.44Å; T1132-A1134 VanDerWaalsContact C-N 3.29Å; T1132-A1134 PolarHBondContact O-N 2.84Å; T1132-R1135 PolarHBondContact O-N 2.81Å; T1132-R1136 PolarHBondContact O-N 3.19Å; T1132-M1171 HydrophobicContact CG2-CE 3.65Å; T1132-M1171 HydrophobicContact CG2-SD 3.38Å; T1132-M1171 WeakPolarHBondContact CG2-SD 3.36Å
1133	F	88.8	Confident	86.1	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-36.4	173.7	-65.2	-41.1	0	0	0	112.2	A1098 T1101 L1114 A1117 L1118 F1121 T1129 A1130 L1137 Y1169	A1098-F1133 HydrophobicContact CB-CE2 4.4Å; A1098-F1133 HydrophobicContact CB-CZ 3.87Å; T1101-F1133 HydrophobicContact CG2-CD1 4.31Å; T1101-F1133 HydrophobicContact CG2-CE1 4.03Å; T1101-F1133 HydrophobicContact CG2-CZ 4.46Å; L1114-F1133 HydrophobicContact CD2-CB 4.34Å; L1114-F1133 HydrophobicContact CD2-CD1 3.88Å; L1114-F1133 HydrophobicContact CD2-CG 4.45Å; A1117-F1133 HydrophobicContact CB-CD2 4.19Å; A1117-F1133 HydrophobicContact CB-CE2 4.27Å; L1118-F1133 HydrophobicContact CB-CB 4.48Å; F1121-F1133 HydrophobicContact CD1-CE2 4.3Å; F1121-F1133 HydrophobicContact CD2-CD2 4.34Å; F1121-F1133 AromaticContact CD2-CE2 3.84Å; F1121-F1133 HydrophobicContact CD2-CE2 3.84Å; F1121-F1133 HydrophobicContact CE1-CE2 4.28Å; F1121-F1133 AromaticContact CE2-CE2 3.81Å; F1121-F1133 HydrophobicContact CE2-CE2 3.81Å; F1121-F1133 HydrophobicContact CG-CD2 4.42Å; F1121-F1133 HydrophobicContact CG-CE2 4.09Å; F1121-F1133 HydrophobicContact CZ-CE2 4.06Å; T1129-F1133 HydrophobicContact CG2-CD2 4.26Å; T1129-F1133 HydrophobicContact CG2-CE2 3.64Å; T1129-F1133 HydrophobicContact CG2-CZ 3.99Å; T1129-F1133 PolarHBondContact O-N 3.5Å; A1130-F1133 PolarHBondContact O-N 2.83Å; F1133-L1137 WeakPolarHBondContact O-CB 3.43Å; F1133-L1137 PolarHBondContact O-N 2.88Å; F1133-Y1169 HydrophobicContact CE1-CE1 4.48Å; F1133-Y1169 AromaticContact CZ-CE1 3.87Å; F1133-Y1169 HydrophobicContact CZ-CE1 3.87Å
1134	A	85.9	Confident	86	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-39.7	174.1	0	0	0	0	0	112.4	L1118 A1130 A1131 T1132 L1137 L1138 T1150 L1154	L1118-A1134 HydrophobicContact CD1-CB 3.8Å; L1118-A1134 HydrophobicContact CD2-CB 4.08Å; A1130-A1134 PolarHBondContact O-N 2.87Å; A1131-A1134 WeakPolarHBondContact O-CB 3.48Å; A1131-A1134 PolarHBondContact O-N 3.13Å; T1132-A1134 VanDerWaalsContact C-N 3.29Å; T1132-A1134 PolarHBondContact O-N 2.84Å; A1134-L1137 PolarHBondContact O-N 3.25Å; A1134-L1138 VanDerWaalsContact O-CG 3.32Å; A1134-L1138 WeakPolarHBondContact O-CG 3.28Å; A1134-L1138 PolarHBondContact O-N 3.05Å; A1134-T1150 HydrophobicContact CB-CG2 3.63Å; A1134-T1150 WeakPolarHBondContact O-CG2 3.33Å; A1134-L1154 HydrophobicContact CB-CB 4.09Å; A1134-L1154 HydrophobicContact CB-CD1 4.1Å
1135	R	89.1	Confident	86.1	Confident	125 Å²	125	64.2 Å²	64.2	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-51	174.8	-69.5	177.4	-169.8	164.2	2.5	111.9	A1131 T1132 L1137 L1138 E1139 L1154 E1158	A1131-R1135 WeakPolarHBondContact O-CG 3.37Å; A1131-R1135 PolarHBondContact O-N 3.07Å; T1132-R1135 PolarHBondContact O-N 2.81Å; R1135-L1137 VanDerWaalsContact C-N 3.25Å; R1135-L1137 PolarHBondContact O-N 3.44Å; R1135-L1138 PolarHBondContact O-N 2.78Å; R1135-E1139 PolarHBondContact O-N 3.32Å; R1135-L1154 HydrophobicContact CG-CD1 4.18Å; R1135-L1154 HydrophobicContact CG-CD2 4.2Å; R1135-E1158 IonicContact CZ-OE1 2.82Å; R1135-E1158 IonicContact NE-OE1 2.78Å; R1135-E1158 IonicContact NH2-OE1 3.45Å; R1135-E1158 PolarHBondContact NH2-OE1 2.89Å
1136	R	88	Confident	86	Confident	72 Å²	72	58.6 Å²	58.6	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-56.3	-39.6	173.8	-101.2	-176.4	78.7	-167.4	3.2	112.4	T1101 L1114 T1132 L1138 E1139 L1140	T1101-R1136 PolarHBondContact O-NH1 3.02Å; T1101-R1136 VanDerWaalsContact O-NH1 3.1Å; T1101-R1136 PolarHBondContact O-NH2 3.02Å; L1114-R1136 HydrophobicContact CD1-CB 4.11Å; L1114-R1136 HydrophobicContact CD2-CB 4.24Å; T1132-R1136 PolarHBondContact O-N 3.19Å; R1136-L1138 VanDerWaalsContact C-N 3.34Å; R1136-E1139 PolarHBondContact O-N 2.89Å; R1136-L1140 WeakPolarHBondContact O-CG 3.47Å; R1136-L1140 PolarHBondContact O-N 3.41Å
1137	L	87.9	Confident	86	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.4	-37.5	178.1	179.9	60	0	0	0	111.7	I1111 L1114 R1115 L1118 F1133 A1134 R1135 P1142 T1150	I1111-L1137 HydrophobicContact CB-CD1 4.26Å; I1111-L1137 HydrophobicContact CG1-CD1 4.4Å; I1111-L1137 HydrophobicContact CG2-CD1 3.9Å; L1114-L1137 HydrophobicContact CB-CB 4.23Å; L1114-L1137 HydrophobicContact CB-CD1 4.05Å; R1115-L1137 HydrophobicContact CB-CD2 4.24Å; L1118-L1137 HydrophobicContact CD2-CD2 4.04Å; F1133-L1137 WeakPolarHBondContact O-CB 3.43Å; F1133-L1137 PolarHBondContact O-N 2.88Å; A1134-L1137 PolarHBondContact O-N 3.25Å; R1135-L1137 VanDerWaalsContact C-N 3.25Å; R1135-L1137 PolarHBondContact O-N 3.44Å; L1137-P1142 HydrophobicContact CD1-CB 4.37Å; L1137-P1142 HydrophobicContact CG-CG 4.38Å; L1137-P1142 WeakPolarHBondContact O-CD 3.45Å; L1137-P1142 WeakPolarHBondContact O-CG 3.27Å; L1137-T1150 HydrophobicContact CB-CG2 4.41Å; L1137-T1150 HydrophobicContact CD2-CG2 3.92Å; L1137-T1150 VanDerWaalsContact CD2-OG1 3.29Å; L1137-T1150 WeakPolarHBondContact CD2-OG1 3.38Å; L1137-T1150 HydrophobicContact CG-CG2 4.36Å
1138	L	87.8	Confident	86	Confident	44 Å²	44	63 Å²	63	23%	0.23	32%	0.319	C	S	.	.	H	α-helix	trans	-72.5	-35	177.4	-72.1	171.1	0	0	0	112.8	A1134 R1135 R1136 L1140 G1141 A1147 T1150 R1151 L1154	A1134-L1138 VanDerWaalsContact O-CG 3.32Å; A1134-L1138 WeakPolarHBondContact O-CG 3.28Å; A1134-L1138 PolarHBondContact O-N 3.05Å; R1135-L1138 PolarHBondContact O-N 2.78Å; R1136-L1138 VanDerWaalsContact C-N 3.34Å; L1138-L1140 VanDerWaalsContact C-N 3.25Å; L1138-L1140 PolarHBondContact O-N 3.28Å; L1138-G1141 PolarHBondContact O-N 2.7Å; L1138-A1147 HydrophobicContact CD2-CB 4.09Å; L1138-T1150 HydrophobicContact CD1-CG2 4.3Å; L1138-T1150 HydrophobicContact CD2-CG2 4.22Å; L1138-T1150 HydrophobicContact CG-CG2 3.91Å; L1138-R1151 HydrophobicContact CD1-CG 3.91Å; L1138-R1151 HydrophobicContact CD2-CG 4.09Å; L1138-L1154 HydrophobicContact CD1-CD2 4.1Å
1139	E	88.4	Confident	86.1	Confident	157 Å²	157	60.6 Å²	60.6	73%	0.734	31%	0.31	S	S	*	.	H	α-helix	trans	-61.6	-32.1	175.5	-73.6	171.3	-179.7	0	0	112.8	R1135 R1136 G1141	R1135-E1139 PolarHBondContact O-N 3.32Å; R1136-E1139 PolarHBondContact O-N 2.89Å; E1139-G1141 VanDerWaalsContact C-N 3.26Å; E1139-G1141 PolarHBondContact O-N 3.35Å
1140	L	85.6	Confident	86.2	Confident	66 Å²	66	59.5 Å²	59.5	35%	0.346	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.3	178.9	-66.4	174	0	0	0	114.3	M1110 I1111 L1114 R1136 L1138	M1110-L1140 HydrophobicContact CB-CD1 4.11Å; M1110-L1140 HydrophobicContact CG-CD1 3.55Å; I1111-L1140 HydrophobicContact CD1-CB 4.27Å; I1111-L1140 HydrophobicContact CG1-CB 3.86Å; I1111-L1140 HydrophobicContact CG1-CD1 4.23Å; L1114-L1140 HydrophobicContact CD1-CD1 3.52Å; R1136-L1140 WeakPolarHBondContact O-CG 3.47Å; R1136-L1140 PolarHBondContact O-N 3.41Å; L1138-L1140 VanDerWaalsContact C-N 3.25Å; L1138-L1140 PolarHBondContact O-N 3.28Å
1141	G	84.8	Confident	86.3	Confident	58 Å²	58	66.8 Å²	66.8	60%	0.598	33%	0.331	S	S	*	.			trans	65.2	63.6	177.3	0	0	0	0	0	114.6	L1138 E1139	L1138-G1141 PolarHBondContact O-N 2.7Å; E1139-G1141 VanDerWaalsContact C-N 3.26Å; E1139-G1141 PolarHBondContact O-N 3.35Å
1142	P	85.9	Confident	86.3	Confident	16 Å²	16	73.9 Å²	73.9	10%	0.104	36%	0.359	C	S	.	.			trans	-74.3	165.7	-179.8	32.9	-31.2	0	0	0	111.1	I1111 L1137 V1146 A1147	I1111-P1142 HydrophobicContact CG2-CB 4.02Å; L1137-P1142 HydrophobicContact CD1-CB 4.37Å; L1137-P1142 HydrophobicContact CG-CG 4.38Å; L1137-P1142 WeakPolarHBondContact O-CD 3.45Å; L1137-P1142 WeakPolarHBondContact O-CG 3.27Å; P1142-V1146 HydrophobicContact CB-CB 4.32Å; P1142-V1146 HydrophobicContact CB-CG1 4.23Å; P1142-A1147 HydrophobicContact CG-CB 4.08Å
1143	K	85.4	Confident	86.2	Confident	166 Å²	166	72.8 Å²	72.8	72%	0.722	35%	0.352	S	S	*	.			trans	-50.4	144.2	176.7	-70.4	-173.9	177.4	-176.5	0	111.4	E1145 V1146 A1147	K1143-E1145 VanDerWaalsContact C-N 3.27Å; K1143-E1145 PolarHBondContact O-N 2.71Å; K1143-E1145 VanDerWaalsContact O-N 3.09Å; K1143-V1146 PolarHBondContact O-N 3.25Å; K1143-A1147 PolarHBondContact O-N 2.76Å
1144	P	84.2	Confident	86.1	Confident	101 Å²	101	73.9 Å²	73.9	66%	0.656	36%	0.357	S	S	*	.	H	α-helix	trans	-51.3	-39.8	-172.6	-29.4	34.7	0	0	0	114.9	A1147 Q1148	P1144-A1147 PolarHBondContact O-N 3.47Å; P1144-Q1148 WeakPolarHBondContact O-CG 3.35Å; P1144-Q1148 PolarHBondContact O-N 2.84Å
1145	E	84.6	Confident	86	Confident	157 Å²	157	76.6 Å²	76.6	73%	0.734	38%	0.376	S	S	*	.	H	α-helix	trans	-62.1	-44.6	176.9	-64.1	176	177.8	0	0	112.6	K1143 Q1148 Q1149	K1143-E1145 VanDerWaalsContact C-N 3.27Å; K1143-E1145 PolarHBondContact O-N 2.71Å; K1143-E1145 VanDerWaalsContact O-N 3.09Å; E1145-Q1148 PolarHBondContact O-N 3.2Å; E1145-Q1149 PolarHBondContact O-N 2.65Å; E1145-Q1149 VanDerWaalsContact O-N 3.1Å
1146	V	83.2	Confident	85.7	Confident	17 Å²	17	72.7 Å²	72.7	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-69.5	-39.6	178.1	-177.8	0	0	0	0	110	P1142 K1143 Q1148 Q1149 T1150	P1142-V1146 HydrophobicContact CB-CB 4.32Å; P1142-V1146 HydrophobicContact CB-CG1 4.23Å; K1143-V1146 PolarHBondContact O-N 3.25Å; V1146-Q1148 PolarHBondContact O-N 2.92Å; V1146-Q1149 PolarHBondContact O-N 2.88Å; V1146-T1150 WeakPolarHBondContact O-CB 3.29Å; V1146-T1150 PolarHBondContact O-N 2.95Å; V1146-T1150 PolarHBondContact O-OG1 2.98Å
1147	A	84.4	Confident	85.5	Confident	8 Å²	8	69.3 Å²	69.3	7%	0.066	36%	0.359	C	S	.	.	H	α-helix	trans	-61	-42.4	176.1	0	0	0	0	0	112.2	L1138 P1142 K1143 P1144 T1150 R1151	L1138-A1147 HydrophobicContact CD2-CB 4.09Å; P1142-A1147 HydrophobicContact CG-CB 4.08Å; K1143-A1147 PolarHBondContact O-N 2.76Å; P1144-A1147 PolarHBondContact O-N 3.47Å; A1147-T1150 PolarHBondContact O-N 3.38Å; A1147-R1151 WeakPolarHBondContact O-CG 3.39Å; A1147-R1151 PolarHBondContact O-N 3.22Å
1148	Q	86.4	Confident	85.2	Confident	121 Å²	121	73.9 Å²	73.9	57%	0.565	38%	0.38	S	S	*	.	H	α-helix	trans	-63.7	-44.4	175.5	-74.1	179.5	0.3	0	0	111.9	P1144 E1145 V1146 R1151 K1152	P1144-Q1148 WeakPolarHBondContact O-CG 3.35Å; P1144-Q1148 PolarHBondContact O-N 2.84Å; E1145-Q1148 PolarHBondContact O-N 3.2Å; V1146-Q1148 PolarHBondContact O-N 2.92Å; Q1148-R1151 PolarHBondContact O-N 3.45Å; Q1148-K1152 WeakPolarHBondContact O-CG 3.49Å; Q1148-K1152 PolarHBondContact O-N 3.08Å; Q1148-K1152 VanDerWaalsContact O-N 3.16Å
1149	Q	85.1	Confident	85	Confident	87 Å²	87	80.1 Å²	80.1	41%	0.407	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-44.6	176.1	-170.5	179.7	13.4	0	0	111.5	E1145 V1146 K1152 I1153	E1145-Q1149 PolarHBondContact O-N 2.65Å; E1145-Q1149 VanDerWaalsContact O-N 3.1Å; V1146-Q1149 PolarHBondContact O-N 2.88Å; Q1149-K1152 WeakPolarHBondContact O-CB 3.42Å; Q1149-K1152 PolarHBondContact O-N 2.83Å; Q1149-I1153 HydrophobicContact CG-CD1 4.24Å; Q1149-I1153 WeakPolarHBondContact O-CG1 3.14Å; Q1149-I1153 PolarHBondContact O-N 2.82Å
1150	T	86.5	Confident	84.5	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.025	39%	0.394	C	S	.	.	H	α-helix	trans	-64.9	-38.9	179.1	-63.3	0	0	0	0	112.2	L1118 A1134 L1137 L1138 V1146 A1147 K1152 I1153 L1154	L1118-T1150 HydrophobicContact CD2-CG2 3.87Å; A1134-T1150 HydrophobicContact CB-CG2 3.63Å; A1134-T1150 WeakPolarHBondContact O-CG2 3.33Å; L1137-T1150 HydrophobicContact CB-CG2 4.41Å; L1137-T1150 HydrophobicContact CD2-CG2 3.92Å; L1137-T1150 VanDerWaalsContact CD2-OG1 3.29Å; L1137-T1150 WeakPolarHBondContact CD2-OG1 3.38Å; L1137-T1150 HydrophobicContact CG-CG2 4.36Å; L1138-T1150 HydrophobicContact CD1-CG2 4.3Å; L1138-T1150 HydrophobicContact CD2-CG2 4.22Å; L1138-T1150 HydrophobicContact CG-CG2 3.91Å; V1146-T1150 WeakPolarHBondContact O-CB 3.29Å; V1146-T1150 PolarHBondContact O-N 2.95Å; V1146-T1150 PolarHBondContact O-OG1 2.98Å; A1147-T1150 PolarHBondContact O-N 3.38Å; T1150-K1152 PolarHBondContact O-N 2.96Å; T1150-I1153 PolarHBondContact O-N 2.78Å; T1150-L1154 WeakPolarHBondContact O-CB 3.4Å; T1150-L1154 PolarHBondContact O-N 3.46Å
1151	R	87.1	Confident	84	Confident	154 Å²	154	78.3 Å²	78.3	58%	0.581	41%	0.406	S	S	*	.	H	α-helix	trans	-63.7	-38.1	173.7	-73.8	177.3	-170.9	135.8	1.2	112.5	L1138 A1147 Q1148 L1154 S1155	L1138-R1151 HydrophobicContact CD1-CG 3.91Å; L1138-R1151 HydrophobicContact CD2-CG 4.09Å; A1147-R1151 WeakPolarHBondContact O-CG 3.39Å; A1147-R1151 PolarHBondContact O-N 3.22Å; Q1148-R1151 PolarHBondContact O-N 3.45Å; R1151-L1154 PolarHBondContact O-N 3.1Å; R1151-S1155 PolarHBondContact O-N 3.24Å
1152	K	86.2	Confident	83.7	Confident	158 Å²	158	78 Å²	78	69%	0.687	40%	0.398	S	S	*	.	H	α-helix	trans	-63.4	-45.5	174	-72.8	178	-179.5	179.2	0	111.6	Q1148 Q1149 T1150 S1155 A1156	Q1148-K1152 WeakPolarHBondContact O-CG 3.49Å; Q1148-K1152 PolarHBondContact O-N 3.08Å; Q1148-K1152 VanDerWaalsContact O-N 3.16Å; Q1149-K1152 WeakPolarHBondContact O-CB 3.42Å; Q1149-K1152 PolarHBondContact O-N 2.83Å; T1150-K1152 PolarHBondContact O-N 2.96Å; K1152-S1155 PolarHBondContact O-N 2.81Å; K1152-A1156 PolarHBondContact O-N 3.42Å; K1152-A1156 VanDerWaalsContact O-N 3.09Å
1153	I	84.2	Confident	83.5	Confident	18 Å²	18	80.2 Å²	80.2	9%	0.092	41%	0.408	C	S	.	.	H	α-helix	trans	-63	-43.6	176.3	-66.6	169.9	0	0	0	110.5	L1118 F1122 Q1149 T1150 S1155 A1156 C1157	L1118-I1153 HydrophobicContact CD1-CG2 3.91Å; L1118-I1153 HydrophobicContact CD2-CD1 4.34Å; L1118-I1153 HydrophobicContact CD2-CG2 4.42Å; L1118-I1153 HydrophobicContact CG-CG2 4.25Å; F1122-I1153 HydrophobicContact CB-CG2 4.47Å; F1122-I1153 HydrophobicContact CD2-CG2 3.62Å; F1122-I1153 HydrophobicContact CE2-CG2 3.99Å; F1122-I1153 HydrophobicContact CG-CG2 4.06Å; Q1149-I1153 HydrophobicContact CG-CD1 4.24Å; Q1149-I1153 WeakPolarHBondContact O-CG1 3.14Å; Q1149-I1153 PolarHBondContact O-N 2.82Å; T1150-I1153 PolarHBondContact O-N 2.78Å; I1153-S1155 PolarHBondContact O-N 2.71Å; I1153-A1156 WeakPolarHBondContact O-CB 3.16Å; I1153-A1156 PolarHBondContact O-N 2.85Å; I1153-A1156 VanDerWaalsContact O-N 3.15Å; I1153-C1157 PolarHBondContact O-N 3.25Å; I1153-C1157 PolarHBondContact O-SG 2.75Å
1154	L	87.1	Confident	83.1	Confident	22 Å²	22	75 Å²	75	12%	0.115	40%	0.397	C	S	.	.	H	α-helix	trans	-59.9	-46.1	177.7	-178.7	61.3	0	0	0	111.8	A1131 A1134 R1135 L1138 T1150 R1151 A1156 C1157 E1158	A1131-L1154 HydrophobicContact CB-CD1 3.8Å; A1134-L1154 HydrophobicContact CB-CB 4.09Å; A1134-L1154 HydrophobicContact CB-CD1 4.1Å; R1135-L1154 HydrophobicContact CG-CD1 4.18Å; R1135-L1154 HydrophobicContact CG-CD2 4.2Å; L1138-L1154 HydrophobicContact CD1-CD2 4.1Å; T1150-L1154 WeakPolarHBondContact O-CB 3.4Å; T1150-L1154 PolarHBondContact O-N 3.46Å; R1151-L1154 PolarHBondContact O-N 3.1Å; L1154-A1156 VanDerWaalsContact C-N 3.28Å; L1154-A1156 PolarHBondContact O-N 2.82Å; L1154-C1157 PolarHBondContact O-N 3.18Å; L1154-E1158 HydrophobicContact CD1-CG 4.26Å; L1154-E1158 WeakPolarHBondContact O-CG 3.43Å; L1154-E1158 PolarHBondContact O-N 2.89Å
1155	S	84.5	Confident	83	Confident	57 Å²	57	74.4 Å²	74.4	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-61.4	-36	175.4	-178.2	0	0	0	0	112.5	R1151 K1152 I1153 K1159	R1151-S1155 PolarHBondContact O-N 3.24Å; K1152-S1155 PolarHBondContact O-N 2.81Å; I1153-S1155 PolarHBondContact O-N 2.71Å; S1155-K1159 WeakPolarHBondContact O-CG 3.36Å; S1155-K1159 PolarHBondContact O-N 2.82Å
1156	A	82.9	Confident	82.8	Confident	44 Å²	44	75.8 Å²	75.8	36%	0.364	39%	0.389	S	S	.	.	H	α-helix	trans	-68.8	-39.7	174.8	0	0	0	0	0	112.4	F1122 K1152 I1153 L1154	F1122-A1156 HydrophobicContact CE2-CB 4.1Å; F1122-A1156 HydrophobicContact CZ-CB 4.32Å; K1152-A1156 PolarHBondContact O-N 3.42Å; K1152-A1156 VanDerWaalsContact O-N 3.09Å; I1153-A1156 WeakPolarHBondContact O-CB 3.16Å; I1153-A1156 PolarHBondContact O-N 2.85Å; I1153-A1156 VanDerWaalsContact O-N 3.15Å; L1154-A1156 VanDerWaalsContact C-N 3.28Å; L1154-A1156 PolarHBondContact O-N 2.82Å
1157	C	84.1	Confident	82.7	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.007	39%	0.391	C	S	.	.	H	α-helix	trans	-67.7	-37.3	176.4	-65.7	0	0	0	0	112.7	F1127 A1131 I1153 L1154 K1159 N1160	F1127-C1157 HydrophobicContact CB-CB 4.06Å; F1127-C1157 WeakPolarHBondContact O-CB 3.31Å; A1131-C1157 HydrophobicContact CB-CB 3.97Å; I1153-C1157 PolarHBondContact O-N 3.25Å; I1153-C1157 PolarHBondContact O-SG 2.75Å; L1154-C1157 PolarHBondContact O-N 3.18Å; C1157-K1159 VanDerWaalsContact C-N 3.32Å; C1157-K1159 PolarHBondContact O-N 2.7Å; C1157-N1160 CarbonylContact O-C 3.33Å; C1157-N1160 PolarHBondContact O-N 3.17Å
1158	E	81.3	Confident	82.5	Confident	95 Å²	95	80.4 Å²	80.4	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-71.9	-25.5	-179.5	-73.6	178.8	163	0	0	112.9	R1135 L1154 N1160	R1135-E1158 IonicContact CZ-OE1 2.82Å; R1135-E1158 IonicContact NE-OE1 2.78Å; R1135-E1158 IonicContact NH2-OE1 3.45Å; R1135-E1158 PolarHBondContact NH2-OE1 2.89Å; L1154-E1158 HydrophobicContact CD1-CG 4.26Å; L1154-E1158 WeakPolarHBondContact O-CG 3.43Å; L1154-E1158 PolarHBondContact O-N 2.89Å; E1158-N1160 VanDerWaalsContact C-N 3.31Å; E1158-N1160 PolarHBondContact O-N 3.23Å
1159	K	82.8	Confident	82.3	Confident	175 Å²	175	75.9 Å²	75.9	76%	0.761	39%	0.389	S	S	*	.	H	α-helix	trans	-68.9	-24.9	173.7	-75.8	176.7	-176.5	-175	0	113.6	S1155 C1157	S1155-K1159 WeakPolarHBondContact O-CG 3.36Å; S1155-K1159 PolarHBondContact O-N 2.82Å; C1157-K1159 VanDerWaalsContact C-N 3.32Å; C1157-K1159 PolarHBondContact O-N 2.7Å
1160	N	77.9	Confident	82.1	Confident	95 Å²	95	75.1 Å²	75.1	51%	0.508	39%	0.388	S	S	.	.	S	Bend	trans	-143.3	79.6	178.2	-166.2	4.8	0	0	0	111.2	F1127 C1157 E1158 A1162	F1127-N1160 WeakPolarHBondContact CB-O 3.36Å; F1127-N1160 WeakPolarHBondContact CD2-O 3.23Å; C1157-N1160 CarbonylContact O-C 3.33Å; C1157-N1160 PolarHBondContact O-N 3.17Å; E1158-N1160 VanDerWaalsContact C-N 3.31Å; E1158-N1160 PolarHBondContact O-N 3.23Å; N1160-A1162 PolarHBondContact O-N 3.31Å
1161	P	75.3	Confident	81.4	Confident	91 Å²	91	77.8 Å²	77.8	59%	0.591	40%	0.401	S	S	*	.			trans	-82.1	61.2	-170	34.6	-36.5	0	0	0	112.5
1162	A	79.1	Confident	81	Confident	51 Å²	51	78 Å²	78	42%	0.421	41%	0.408	S	S	.	.			trans	-120.4	141.2	175.3	0	0	0	0	0	111.1	F1127 N1160	F1127-A1162 PolarHBondContact N-O 2.78Å; N1160-A1162 PolarHBondContact O-N 3.31Å
1163	D	80.9	Confident	80.8	Confident	62 Å²	62	73.1 Å²	73.1	33%	0.332	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-97	117	168.5	-74.2	-25.8	0	0	0	108.9	N1126 F1127 K1128 T1129 Y1165	N1126-D1163 VanDerWaalsContact CA-OD1 3.23Å; N1126-D1163 WeakPolarHBondContact CA-OD1 3.18Å; N1126-D1163 HydrophobicContact CB-CB 4.39Å; N1126-D1163 WeakPolarHBondContact CB-OD1 3.15Å; F1127-D1163 PolarHBondContact N-OD1 2.93Å; K1128-D1163 WeakPolarHBondContact CB-OD1 3.16Å; K1128-D1163 PolarHBondContact N-OD1 2.92Å; T1129-D1163 PolarHBondContact N-OD1 3.35Å; T1129-D1163 PolarHBondContact OG1-OD2 2.87Å; D1163-Y1165 VanDerWaalsContact C-N 3.29Å; D1163-Y1165 PolarHBondContact O-N 3.46Å
1164	A	78.5	Confident	80.8	Confident	58 Å²	58	76.2 Å²	76.2	48%	0.479	41%	0.411	S	S	.	.	S	Bend	trans	-67.2	-27.1	-177.9	0	0	0	0	0	113.4	K1125 N1126	K1125-A1164 HydrophobicContact CB-CB 4.04Å; K1125-A1164 PolarHBondContact O-N 3.25Å; N1126-A1164 PolarHBondContact OD1-N 3.1Å
1165	Y	81.8	Confident	80.8	Confident	88 Å²	88	76.4 Å²	76.4	35%	0.345	41%	0.411	S	S	.	.	S	Bend	trans	-138.3	133.1	-178.3	-55.8	-74.8	0	0	0	112.4	L1087 L1124 N1126 D1163	L1087-Y1165 HydrophobicContact CD1-CE1 4.03Å; L1087-Y1165 HydrophobicContact CD1-CE2 4.22Å; L1087-Y1165 HydrophobicContact CD2-CD1 4.34Å; L1087-Y1165 HydrophobicContact CD2-CE1 3.82Å; L1087-Y1165 HydrophobicContact CG-CE1 4.48Å; L1124-Y1165 HydrophobicContact CD2-CD2 4.24Å; L1124-Y1165 HydrophobicContact CG-CD2 3.93Å; L1124-Y1165 HydrophobicContact CG-CE2 4.29Å; N1126-Y1165 PolarHBondContact ND2-O 3.3Å; N1126-Y1165 PolarHBondContact OD1-N 2.78Å; D1163-Y1165 VanDerWaalsContact C-N 3.29Å; D1163-Y1165 PolarHBondContact O-N 3.46Å
1166	Q	79.4	Confident	80.9	Confident	186 Å²	186	77.5 Å²	77.5	87%	0.869	41%	0.412	S	S	*	.			trans	-73	128.9	171.1	-166.8	173	8.1	0	0	110.6
1167	L	81.6	Confident	81.2	Confident	28 Å²	28	76.4 Å²	76.4	15%	0.147	40%	0.4	C	S	.	.			trans	-117.4	156.2	178.9	-60.7	176.3	0	0	0	109.8	K1091 C1094 E1095 F1121 Y1169	K1091-L1167 HydrophobicContact CB-CD2 3.55Å; K1091-L1167 HydrophobicContact CD-CD2 4.15Å; K1091-L1167 HydrophobicContact CG-CD2 3.62Å; C1094-L1167 HydrophobicContact CB-CD1 4.15Å; E1095-L1167 HydrophobicContact CG-CB 4.06Å; E1095-L1167 HydrophobicContact CG-CD2 4.29Å; F1121-L1167 HydrophobicContact CD1-CD1 4.38Å; F1121-L1167 HydrophobicContact CE1-CD1 3.46Å; F1121-L1167 VanDerWaalsContact CE1-CD1 3.46Å; F1121-L1167 HydrophobicContact CZ-CD1 3.75Å; L1167-Y1169 PolarHBondContact O-N 3.33Å
1168	N	80.4	Confident	81.6	Confident	93 Å²	93	76.4 Å²	76.4	50%	0.497	40%	0.4	S	S	.	.	S	Bend	trans	-78.7	49.9	177.1	-168.4	8.1	0	0	0	112.7	E1095 Y1099 Y1186	E1095-N1168 WeakPolarHBondContact OE1-CB 3.41Å; E1095-N1168 PolarHBondContact OE1-N 3.38Å; Y1099-N1168 PolarHBondContact OH-O 3.35Å; N1168-Y1186 PolarHBondContact O-OH 3.3Å
1169	Y	82.4	Confident	81.9	Confident	27 Å²	27	72 Å²	72	11%	0.106	38%	0.38	C	S	.	.			trans	-134.2	109.5	-176.3	172.8	-112	0	0	0	109.6	A1098 Y1099 H1102 T1129 F1133 L1167 M1171 F1175	A1098-Y1169 HydrophobicContact CB-CD1 4Å; A1098-Y1169 HydrophobicContact CB-CD2 3.95Å; A1098-Y1169 HydrophobicContact CB-CE1 4.02Å; A1098-Y1169 HydrophobicContact CB-CE2 3.97Å; A1098-Y1169 HydrophobicContact CB-CG 3.96Å; Y1099-Y1169 AromaticContact CD1-CD2 3.9Å; Y1099-Y1169 HydrophobicContact CD1-CD2 3.9Å; Y1099-Y1169 AromaticContact CE1-CD2 3.84Å; Y1099-Y1169 HydrophobicContact CE1-CD2 3.84Å; Y1099-Y1169 HydrophobicContact CE1-CG 4.45Å; H1102-Y1169 AromaticContact CD2-CE2 3.8Å; H1102-Y1169 AromaticContact NE2-CE2 3.56Å; H1102-Y1169 AromaticContact NE2-CZ 3.62Å; H1102-Y1169 PolarHBondContact NE2-OH 2.61Å; T1129-Y1169 HydrophobicContact CG2-CD1 4.3Å; T1129-Y1169 HydrophobicContact CG2-CE1 4.03Å; F1133-Y1169 HydrophobicContact CE1-CE1 4.48Å; F1133-Y1169 AromaticContact CZ-CE1 3.87Å; F1133-Y1169 HydrophobicContact CZ-CE1 3.87Å; L1167-Y1169 PolarHBondContact O-N 3.33Å; Y1169-M1171 HydrophobicContact CE1-CB 4.04Å; Y1169-F1175 HydrophobicContact CD2-CE1 4.23Å; Y1169-F1175 HydrophobicContact CD2-CZ 4.28Å; Y1169-F1175 AromaticContact CE2-CE1 3.99Å; Y1169-F1175 HydrophobicContact CE2-CE1 3.99Å; Y1169-F1175 HydrophobicContact CE2-CZ 4Å
1170	D	79.2	Confident	82.2	Confident	70 Å²	70	63.9 Å²	63.9	37%	0.374	35%	0.345	S	S	.	.			trans	-105.9	117.3	168	-173.8	-2.2	0	0	0	109.3	H1172 N1173 Y1186	D1170-H1172 PolarHBondContact OD1-N 3.42Å; D1170-H1172 IonicContact OD1-ND1 3.73Å; D1170-N1173 HydrophobicContact CB-CB 4.33Å; D1170-Y1186 HydrophobicContact CB-CE1 4.06Å; D1170-Y1186 PolarHBondContact N-OH 2.96Å
1171	M	72.1	Confident	82.6	Confident	61 Å²	61	60.6 Å²	60.6	30%	0.3	33%	0.33	S	S	.	.	S	Bend	trans	-77.9	-23.2	-178.4	-176.7	-176.4	75.5	0	0	113	T1132 Y1169	T1132-M1171 HydrophobicContact CG2-CE 3.65Å; T1132-M1171 HydrophobicContact CG2-SD 3.38Å; T1132-M1171 WeakPolarHBondContact CG2-SD 3.36Å; Y1169-M1171 HydrophobicContact CE1-CB 4.04Å
1172	H	79.1	Confident	83.3	Confident	159 Å²	159	57.7 Å²	57.7	74%	0.736	31%	0.307	S	S	*	.	S	Bend	trans	-88.5	-18.4	-175.5	-58.5	87.5	0	0	0	112.4	D1170 P1174	D1170-H1172 PolarHBondContact OD1-N 3.42Å; D1170-H1172 IonicContact OD1-ND1 3.73Å; H1172-P1174 WeakPolarHBondContact O-CD 3.44Å
1173	N	82.8	Confident	83.7	Confident	55 Å²	55	62.5 Å²	62.5	29%	0.294	31%	0.314	S	S	.	.	S	Bend	trans	-97.2	113.2	178.1	-169.8	1.4	0	0	0	110.6	D1170 F1175 Y1186	D1170-N1173 HydrophobicContact CB-CB 4.33Å; N1173-F1175 WeakPolarHBondContact O-CD1 3.34Å; N1173-F1175 PolarHBondContact O-N 2.8Å; N1173-Y1186 HydrophobicContact CB-CD1 3.83Å; N1173-Y1186 HydrophobicContact CB-CE1 4.08Å; N1173-Y1186 WeakPolarHBondContact ND2-CD1 3.45Å
1174	P	83	Confident	84	Confident	83 Å²	83	60.3 Å²	60.3	54%	0.539	30%	0.304	S	S	.	.			trans	-58.7	135	177.1	-23.9	34.3	0	0	0	112.2	H1172 R1187	H1172-P1174 WeakPolarHBondContact O-CD 3.44Å; P1174-R1187 PolarHBondContact O-N 3.5Å
1175	F	88.4	Confident	84.5	Confident	26 Å²	26	58.1 Å²	58.1	11%	0.114	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.4	178.3	61.4	-95.7	0	0	0	111.7	Y1099 H1102 Y1169 N1173 I1177 P1184 I1185 Y1186	Y1099-F1175 AromaticContact CD1-CE2 3.95Å; Y1099-F1175 HydrophobicContact CD1-CE2 3.95Å; Y1099-F1175 AromaticContact CD1-CZ 3.84Å; Y1099-F1175 HydrophobicContact CD1-CZ 3.84Å; Y1099-F1175 HydrophobicContact CG-CE2 4.5Å; H1102-F1175 HydrophobicContact CB-CE2 4.45Å; H1102-F1175 HydrophobicContact CB-CZ 4.2Å; H1102-F1175 AromaticContact CD2-CZ 3.68Å; H1102-F1175 AromaticContact CG-CZ 3.89Å; Y1169-F1175 HydrophobicContact CD2-CE1 4.23Å; Y1169-F1175 HydrophobicContact CD2-CZ 4.28Å; Y1169-F1175 AromaticContact CE2-CE1 3.99Å; Y1169-F1175 HydrophobicContact CE2-CE1 3.99Å; Y1169-F1175 HydrophobicContact CE2-CZ 4Å; N1173-F1175 WeakPolarHBondContact O-CD1 3.34Å; N1173-F1175 PolarHBondContact O-N 2.8Å; F1175-I1177 HydrophobicContact CD2-CG1 4.28Å; F1175-I1177 HydrophobicContact CE2-CG1 3.99Å; F1175-P1184 HydrophobicContact CB-CB 3.84Å; F1175-P1184 HydrophobicContact CD1-CB 4.14Å; F1175-P1184 HydrophobicContact CD2-CB 3.35Å; F1175-P1184 HydrophobicContact CE2-CB 3.89Å; F1175-P1184 HydrophobicContact CG-CB 3.51Å; F1175-P1184 HydrophobicContact CZ-CB 4.48Å; F1175-I1185 VanDerWaalsContact CA-O 3.31Å; F1175-I1185 WeakPolarHBondContact CA-O 3.47Å; F1175-I1185 WeakPolarHBondContact CB-O 3.47Å; F1175-Y1186 HydrophobicContact CB-CD1 3.77Å; F1175-Y1186 HydrophobicContact CB-CE1 4.11Å; F1175-Y1186 HydrophobicContact CB-CG 4.26Å; F1175-Y1186 HydrophobicContact CD1-CD1 4.23Å; F1175-Y1186 AromaticContact CD1-CE1 3.78Å; F1175-Y1186 HydrophobicContact CD1-CE1 3.78Å; F1175-Y1186 HydrophobicContact CG-CD1 4.42Å; F1175-Y1186 HydrophobicContact CG-CE1 4.27Å
1176	D	86.6	Confident	84.8	Confident	79 Å²	79	55.3 Å²	55.3	42%	0.422	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	148.9	165.8	-71.7	-45.7	0	0	0	109.8	I1185 C1200	D1176-I1185 PolarHBondContact N-O 3.36Å; D1176-I1185 PolarHBondContact O-N 3.11Å; D1176-C1200 HydrophobicContact CB-CB 3.84Å
1177	I	89.4	Confident	84.9	Confident	22 Å²	22	56.6 Å²	56.6	11%	0.113	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.1	178.2	-58.1	171	0	0	0	109.2	V1071 M1075 Y1099 F1175 A1179	V1071-I1177 HydrophobicContact CG1-CB 4.45Å; V1071-I1177 HydrophobicContact CG1-CG2 4.14Å; M1075-I1177 HydrophobicContact CE-CD1 4.12Å; Y1099-I1177 WeakPolarHBondContact O-CD1 3.45Å; F1175-I1177 HydrophobicContact CD2-CG1 4.28Å; F1175-I1177 HydrophobicContact CE2-CG1 3.99Å; I1177-A1179 PolarHBondContact O-N 3.3Å; I1177-A1179 VanDerWaalsContact O-N 3.17Å
1178	C	90.9	Very high	84.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.303	C	S	.	.			trans	-66	113.3	170.5	-176.5	0	0	0	0	109.8	A1180 S1181 Y1182 R1183 I1185 C1200 S1202	C1178-A1180 PolarHBondContact O-N 3.15Å; C1178-A1180 VanDerWaalsContact O-N 3.1Å; C1178-S1181 WeakPolarHBondContact CB-OG 3.36Å; C1178-S1181 PolarHBondContact SG-OG 2.86Å; C1178-Y1182 VanDerWaalsContact O-CA 3.26Å; C1178-Y1182 WeakPolarHBondContact O-CA 3.43Å; C1178-Y1182 PolarHBondContact O-N 3.04Å; C1178-R1183 WeakPolarHBondContact CB-O 3.34Å; C1178-R1183 PolarHBondContact N-O 3.48Å; C1178-I1185 HydrophobicContact CB-CD1 3.87Å; C1178-I1185 HydrophobicContact CB-CG1 4.07Å; C1178-C1200 WeakPolarHBondContact CA-O 3.45Å; C1178-S1202 PolarHBondContact SG-N 3.49Å; C1178-S1202 PolarHBondContact SG-OG 3.3Å
1179	A	89.3	Confident	84.9	Confident	3 Å²	3	61.2 Å²	61.2	3%	0.025	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.8	-174.9	0	0	0	0	0	114.4	V1071 I1177 A1199 C1200 Y1201 V1212	V1071-A1179 HydrophobicContact CG2-CB 3.87Å; I1177-A1179 PolarHBondContact O-N 3.3Å; I1177-A1179 VanDerWaalsContact O-N 3.17Å; A1179-A1199 HydrophobicContact CB-CB 4.26Å; A1179-C1200 PolarHBondContact N-O 3.22Å; A1179-Y1201 HydrophobicContact CB-CE1 3.79Å; A1179-Y1201 HydrophobicContact CB-CE2 4.31Å; A1179-V1212 HydrophobicContact CB-CG2 3.88Å
1180	A	88.3	Confident	85.2	Confident	5 Å²	5	64.6 Å²	64.6	4%	0.041	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-52.4	172.7	0	0	0	0	0	113	C1178 Y1201 F1205 R1211	C1178-A1180 PolarHBondContact O-N 3.15Å; C1178-A1180 VanDerWaalsContact O-N 3.1Å; A1180-Y1201 HydrophobicContact CB-CD1 3.86Å; A1180-Y1201 HydrophobicContact CB-CE1 3.82Å; A1180-F1205 HydrophobicContact CB-CD1 3.91Å; A1180-F1205 HydrophobicContact CB-CD2 3.81Å; A1180-F1205 HydrophobicContact CB-CE1 3.78Å; A1180-F1205 HydrophobicContact CB-CE2 3.66Å; A1180-F1205 HydrophobicContact CB-CG 3.94Å; A1180-F1205 HydrophobicContact CB-CZ 3.66Å; A1180-R1211 PolarHBondContact O-NH1 3.14Å
1181	S	86.9	Confident	85.8	Confident	26 Å²	26	63.6 Å²	63.6	18%	0.182	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-10	-174.5	63.6	0	0	0	0	113.9	R1092 C1178 R1183	R1092-S1181 PolarHBondContact NH2-O 2.91Å; C1178-S1181 WeakPolarHBondContact CB-OG 3.36Å; C1178-S1181 PolarHBondContact SG-OG 2.86Å; S1181-R1183 PolarHBondContact O-N 2.94Å
1182	Y	89.4	Confident	86.7	Confident	30 Å²	30	62.8 Å²	62.8	12%	0.118	32%	0.324	C	S	.	.			trans	49.5	43.2	-172.4	-50.2	-66.2	0	0	0	111.9	S1074 M1075 E1078 R1092 M1096 C1178	S1074-Y1182 WeakPolarHBondContact CB-OH 3.31Å; M1075-Y1182 HydrophobicContact CB-CD1 3.67Å; M1075-Y1182 HydrophobicContact CB-CE1 3.85Å; M1075-Y1182 HydrophobicContact CB-CG 4.2Å; M1075-Y1182 HydrophobicContact CG-CD1 3.98Å; M1075-Y1182 HydrophobicContact CG-CG 4.08Å; M1075-Y1182 HydrophobicContact SD-CD1 4.35Å; E1078-Y1182 HydrophobicContact CB-CE2 4.18Å; E1078-Y1182 HydrophobicContact CG-CE2 3.9Å; R1092-Y1182 PolarHBondContact NH1-O 3.06Å; R1092-Y1182 PolarHBondContact NH2-O 3.19Å; M1096-Y1182 HydrophobicContact CE-CD2 4.06Å; M1096-Y1182 HydrophobicContact CE-CG 4.3Å; C1178-Y1182 VanDerWaalsContact O-CA 3.26Å; C1178-Y1182 WeakPolarHBondContact O-CA 3.43Å; C1178-Y1182 PolarHBondContact O-N 3.04Å
1183	R	87.1	Confident	87.4	Confident	151 Å²	151	61 Å²	61	57%	0.57	31%	0.314	S	S	*	.			trans	-113.9	147	173.7	-70	-177	176.4	-173.9	-1.4	109.4	C1178 S1181	C1178-R1183 WeakPolarHBondContact CB-O 3.34Å; C1178-R1183 PolarHBondContact N-O 3.48Å; S1181-R1183 PolarHBondContact O-N 2.94Å
1184	P	88.4	Confident	87.8	Confident	16 Å²	16	58.5 Å²	58.5	10%	0.104	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.5	178.3	29.7	-34.9	0	0	0	110.3	Y1099 F1175 Y1186	Y1099-P1184 HydrophobicContact CD1-CB 4.47Å; Y1099-P1184 HydrophobicContact CD1-CG 4.39Å; Y1099-P1184 HydrophobicContact CE1-CB 4.2Å; Y1099-P1184 HydrophobicContact CE1-CG 3.66Å; F1175-P1184 HydrophobicContact CB-CB 3.84Å; F1175-P1184 HydrophobicContact CD1-CB 4.14Å; F1175-P1184 HydrophobicContact CD2-CB 3.35Å; F1175-P1184 HydrophobicContact CE2-CB 3.89Å; F1175-P1184 HydrophobicContact CG-CB 3.51Å; F1175-P1184 HydrophobicContact CZ-CB 4.48Å; P1184-Y1186 HydrophobicContact CB-CE2 4.09Å; P1184-Y1186 HydrophobicContact CG-CE2 3.79Å
1185	I	87.9	Confident	88.2	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.062	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	96.8	169.2	-49	169.3	0	0	0	106.9	F1175 D1176 C1178 K1189 V1191	F1175-I1185 VanDerWaalsContact CA-O 3.31Å; F1175-I1185 WeakPolarHBondContact CA-O 3.47Å; F1175-I1185 WeakPolarHBondContact CB-O 3.47Å; D1176-I1185 PolarHBondContact N-O 3.36Å; D1176-I1185 PolarHBondContact O-N 3.11Å; C1178-I1185 HydrophobicContact CB-CD1 3.87Å; C1178-I1185 HydrophobicContact CB-CG1 4.07Å; I1185-K1189 HydrophobicContact CG2-CB 4Å; I1185-V1191 HydrophobicContact CB-CG2 4.31Å; I1185-V1191 HydrophobicContact CD1-CG2 4.33Å; I1185-V1191 HydrophobicContact CG2-CG2 3.54Å
1186	Y	87.5	Confident	88.4	Confident	30 Å²	30	55.4 Å²	55.4	12%	0.118	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	148.2	-179.9	-66.2	-77.6	0	0	0	112	N1168 D1170 N1173 F1175 P1184 G1188 K1189	N1168-Y1186 PolarHBondContact O-OH 3.3Å; D1170-Y1186 HydrophobicContact CB-CE1 4.06Å; D1170-Y1186 PolarHBondContact N-OH 2.96Å; N1173-Y1186 HydrophobicContact CB-CD1 3.83Å; N1173-Y1186 HydrophobicContact CB-CE1 4.08Å; N1173-Y1186 WeakPolarHBondContact ND2-CD1 3.45Å; F1175-Y1186 HydrophobicContact CB-CD1 3.77Å; F1175-Y1186 HydrophobicContact CB-CE1 4.11Å; F1175-Y1186 HydrophobicContact CB-CG 4.26Å; F1175-Y1186 HydrophobicContact CD1-CD1 4.23Å; F1175-Y1186 AromaticContact CD1-CE1 3.78Å; F1175-Y1186 HydrophobicContact CD1-CE1 3.78Å; F1175-Y1186 HydrophobicContact CG-CD1 4.42Å; F1175-Y1186 HydrophobicContact CG-CE1 4.27Å; P1184-Y1186 HydrophobicContact CB-CE2 4.09Å; P1184-Y1186 HydrophobicContact CG-CE2 3.79Å; Y1186-G1188 PolarHBondContact O-N 3.11Å; Y1186-K1189 PolarHBondContact O-N 3.41Å
1187	R	81.7	Confident	88.6	Confident	213 Å²	213	51.8 Å²	51.8	80%	0.804	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	130.2	-179.1	-166	175.3	-176.6	179.5	0.8	111.7	P1174	P1174-R1187 PolarHBondContact O-N 3.5Å
1188	G	78.1	Confident	88.6	Confident	82 Å²	82	51.7 Å²	51.7	85%	0.845	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	-11.3	-178.6	0	0	0	0	0	115	Y1186	Y1186-G1188 PolarHBondContact O-N 3.11Å
1189	K	84.8	Confident	88.6	Confident	136 Å²	136	51.8 Å²	51.8	59%	0.591	27%	0.27	S	S	*	.	S	Bend	trans	-84.6	150	169.3	-68.4	-171.1	177.2	-175.8	0	111.3	I1185 Y1186 V1191	I1185-K1189 HydrophobicContact CG2-CB 4Å; Y1186-K1189 PolarHBondContact O-N 3.41Å; K1189-V1191 PolarHBondContact O-N 2.61Å
1190	P	88.1	Confident	88.8	Confident	97 Å²	97	52.3 Å²	52.3	63%	0.63	27%	0.273	S	S	*	.			trans	-62.5	134.4	176.5	25.6	-34.2	0	0	0	111.2	P1203	P1190-P1203 HydrophobicContact CB-CG 3.95Å; P1190-P1203 HydrophobicContact CG-CG 3.86Å
1191	V	91.4	Very high	89	Confident	49 Å²	49	52 Å²	52	30%	0.297	27%	0.271	S	S	.	.			trans	-127.9	132.6	-178.9	174	0	0	0	0	109	I1185 K1189 K1193 C1200	I1185-V1191 HydrophobicContact CB-CG2 4.31Å; I1185-V1191 HydrophobicContact CD1-CG2 4.33Å; I1185-V1191 HydrophobicContact CG2-CG2 3.54Å; K1189-V1191 PolarHBondContact O-N 2.61Å; V1191-K1193 HydrophobicContact CG1-CG 4.18Å; V1191-C1200 HydrophobicContact CG1-CB 3.71Å
1192	E	92.6	Very high	89.2	Confident	44 Å²	44	51.9 Å²	51.9	21%	0.206	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.3	169.1	-67.7	-69.5	176.7	0	0	109.2	C1200 Y1201 K1206 I1218 G1219	E1192-C1200 CarbonylContact O-C 3.5Å; E1192-Y1201 PolarHBondContact N-O 3.16Å; E1192-Y1201 PolarHBondContact O-N 3.4Å; E1192-K1206 HydrophobicContact CG-CB 4.32Å; E1192-K1206 HydrophobicContact CG-CD 4.45Å; E1192-K1206 HydrophobicContact CG-CG 4.48Å; E1192-K1206 WeakPolarHBondContact OE1-CD 3.48Å; E1192-K1206 IonicContact OE1-NZ 2.81Å; E1192-K1206 PolarHBondContact OE1-NZ 2.91Å; E1192-K1206 IonicContact OE2-NZ 3.47Å; E1192-I1218 HydrophobicContact CB-CG2 4.06Å; E1192-G1219 WeakPolarHBondContact OE2-CA 3.39Å
1193	K	92.3	Very high	89.2	Confident	122 Å²	122	53.4 Å²	53.4	53%	0.53	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.9	-177.4	-68.6	-175.1	178.8	-179.3	0	111.9	V1191 A1199 G1219	V1191-K1193 HydrophobicContact CG1-CG 4.18Å; K1193-A1199 WeakPolarHBondContact CA-O 3.47Å; K1193-G1219 PolarHBondContact O-N 3.17Å; K1193-G1219 VanDerWaalsContact O-N 3.11Å
1194	C	92.8	Very high	89.4	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.014	29%	0.285	C	S	.	.			trans	-70.5	128.1	165.5	167.8	0	0	0	0	109.6	L1196 S1197 G1198 A1199 Y1201 C1210 T1216	C1194-L1196 VanDerWaalsContact C-N 3.33Å; C1194-L1196 PolarHBondContact O-N 3.37Å; C1194-S1197 VanDerWaalsContact CB-OG 3.31Å; C1194-S1197 WeakPolarHBondContact CB-OG 3.24Å; C1194-S1197 PolarHBondContact SG-N 3.1Å; C1194-S1197 VanDerWaalsContact SG-N 3.38Å; C1194-S1197 PolarHBondContact SG-OG 3.14Å; C1194-G1198 VanDerWaalsContact O-CA 3.25Å; C1194-G1198 WeakPolarHBondContact O-CA 3.45Å; C1194-G1198 PolarHBondContact O-N 3.42Å; C1194-A1199 HydrophobicContact CB-CB 4.28Å; C1194-A1199 PolarHBondContact N-O 3.46Å; C1194-Y1201 HydrophobicContact CB-CE2 4.2Å; C1194-C1210 HydrophobicContact CB-CB 4.24Å; C1194-T1216 PolarHBondContact SG-OG1 3.15Å
1195	P	91	Very high	89.5	Confident	37 Å²	37	53 Å²	53	24%	0.24	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.8	-176.5	-22.8	32.3	0	0	0	115.1	E1217 K1220 V1222	P1195-E1217 WeakPolarHBondContact CD-O 3.42Å; P1195-K1220 HydrophobicContact CG-CB 4.33Å; P1195-K1220 WeakPolarHBondContact CG-O 3.44Å; P1195-V1222 HydrophobicContact CB-CB 4.46Å; P1195-V1222 HydrophobicContact CB-CG1 4Å; P1195-V1222 HydrophobicContact CB-CG2 3.58Å; P1195-V1222 HydrophobicContact CG-CG1 4.16Å; P1195-V1222 HydrophobicContact CG-CG2 4.39Å
1196	L	91.6	Very high	89.6	Confident	8 Å²	8	58 Å²	58	4%	0.042	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-53.5	179.5	177.8	59.4	0	0	0	112.9	V956 L1043 P1046 I1063 C1194 T1213 T1216 L1225	V956-L1196 HydrophobicContact CB-CB 4.2Å; V956-L1196 HydrophobicContact CB-CD1 4.19Å; V956-L1196 HydrophobicContact CG1-CD1 4.17Å; V956-L1196 HydrophobicContact CG2-CD1 4.37Å; L1043-L1196 HydrophobicContact CD2-CD2 4.32Å; P1046-L1196 HydrophobicContact CG-CD1 3.61Å; P1046-L1196 HydrophobicContact CG-CD2 4.23Å; I1063-L1196 HydrophobicContact CD1-CD1 4.44Å; I1063-L1196 VanDerWaalsContact CG2-O 3.31Å; I1063-L1196 WeakPolarHBondContact CG2-O 3.38Å; C1194-L1196 VanDerWaalsContact C-N 3.33Å; C1194-L1196 PolarHBondContact O-N 3.37Å; L1196-T1213 HydrophobicContact CB-CG2 4.41Å; L1196-T1213 HydrophobicContact CD2-CG2 4.34Å; L1196-T1216 HydrophobicContact CB-CG2 3.7Å; L1196-T1216 HydrophobicContact CD2-CG2 4.13Å; L1196-L1225 HydrophobicContact CD1-CD1 4.37Å
1197	S	90.4	Very high	89.7	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.014	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-20.4	-173.6	64.1	0	0	0	0	113.9	R1067 C1194 A1199	R1067-S1197 WeakPolarHBondContact CD-O 3.36Å; C1194-S1197 VanDerWaalsContact CB-OG 3.31Å; C1194-S1197 WeakPolarHBondContact CB-OG 3.24Å; C1194-S1197 PolarHBondContact SG-N 3.1Å; C1194-S1197 VanDerWaalsContact SG-N 3.38Å; C1194-S1197 PolarHBondContact SG-OG 3.14Å; S1197-A1199 PolarHBondContact O-N 3.31Å; S1197-A1199 WeakPolarHBondContact OG-CB 3.19Å; S1197-A1199 PolarHBondContact OG-N 3.18Å
1198	G	90.1	Very high	90.3	Very high	21 Å²	21	53 Å²	53	22%	0.216	31%	0.305	C	S	.	.			trans	68.1	13	-169.2	0	0	0	0	0	114	C1194	C1194-G1198 VanDerWaalsContact O-CA 3.25Å; C1194-G1198 WeakPolarHBondContact O-CA 3.45Å; C1194-G1198 PolarHBondContact O-N 3.42Å
1199	A	91.9	Very high	90.9	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	29%	0.286	C	S	.	.			trans	-62.2	134.4	175	0	0	0	0	0	111.5	R1067 A1179 K1193 C1194 S1197 Y1201 V1212	R1067-A1199 HydrophobicContact CG-CB 4.12Å; A1179-A1199 HydrophobicContact CB-CB 4.26Å; K1193-A1199 WeakPolarHBondContact CA-O 3.47Å; C1194-A1199 HydrophobicContact CB-CB 4.28Å; C1194-A1199 PolarHBondContact N-O 3.46Å; S1197-A1199 PolarHBondContact O-N 3.31Å; S1197-A1199 WeakPolarHBondContact OG-CB 3.19Å; S1197-A1199 PolarHBondContact OG-N 3.18Å; A1199-Y1201 HydrophobicContact CB-CE2 3.87Å; A1199-Y1201 WeakPolarHBondContact O-CD2 3.36Å; A1199-V1212 HydrophobicContact CB-CB 4.37Å; A1199-V1212 HydrophobicContact CB-CG2 3.78Å
1200	C	92.9	Very high	91.3	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.088	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141	-178.5	-62.6	0	0	0	0	111.2	D1176 C1178 A1179 V1191 E1192	D1176-C1200 HydrophobicContact CB-CB 3.84Å; C1178-C1200 WeakPolarHBondContact CA-O 3.45Å; A1179-C1200 PolarHBondContact N-O 3.22Å; V1191-C1200 HydrophobicContact CG1-CB 3.71Å; E1192-C1200 CarbonylContact O-C 3.5Å
1201	Y	93.1	Very high	91.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.4	179.4	-69.9	-87	0	0	0	110.8	A1179 A1180 E1192 C1194 A1199 F1205 C1210 R1211 I1218	A1179-Y1201 HydrophobicContact CB-CE1 3.79Å; A1179-Y1201 HydrophobicContact CB-CE2 4.31Å; A1180-Y1201 HydrophobicContact CB-CD1 3.86Å; A1180-Y1201 HydrophobicContact CB-CE1 3.82Å; E1192-Y1201 PolarHBondContact N-O 3.16Å; E1192-Y1201 PolarHBondContact O-N 3.4Å; C1194-Y1201 HydrophobicContact CB-CE2 4.2Å; A1199-Y1201 HydrophobicContact CB-CE2 3.87Å; A1199-Y1201 WeakPolarHBondContact O-CD2 3.36Å; Y1201-F1205 HydrophobicContact CD1-CB 4.21Å; Y1201-F1205 HydrophobicContact CD1-CD2 4.45Å; Y1201-F1205 HydrophobicContact CD1-CG 4.49Å; Y1201-C1210 PolarHBondContact OH-SG 3.1Å; Y1201-R1211 PolarHBondContact OH-N 3.07Å; Y1201-I1218 HydrophobicContact CD1-CD1 3.71Å; Y1201-I1218 HydrophobicContact CD2-CD1 3.92Å; Y1201-I1218 HydrophobicContact CD2-CG1 3.91Å; Y1201-I1218 HydrophobicContact CD2-CG2 3.78Å; Y1201-I1218 HydrophobicContact CE1-CD1 3.75Å; Y1201-I1218 HydrophobicContact CE2-CD1 3.95Å; Y1201-I1218 HydrophobicContact CE2-CG1 3.91Å; Y1201-I1218 HydrophobicContact CG-CD1 3.82Å; Y1201-I1218 HydrophobicContact CG-CG1 4.27Å; Y1201-I1218 HydrophobicContact CG-CG2 3.94Å
1202	S	90.8	Very high	91.4	Very high	22 Å²	22	46.1 Å²	46.1	15%	0.154	24%	0.238	C	C	.	.			trans	-65.1	149.5	166.1	-57.6	0	0	0	0	109.9	C1178 E1204 F1205	C1178-S1202 PolarHBondContact SG-N 3.49Å; C1178-S1202 PolarHBondContact SG-OG 3.3Å; S1202-E1204 VanDerWaalsContact CB-OE1 3.28Å; S1202-E1204 WeakPolarHBondContact CB-OE1 3.24Å; S1202-E1204 PolarHBondContact O-N 3.06Å; S1202-E1204 PolarHBondContact OG-OE1 3.49Å; S1202-F1205 PolarHBondContact O-N 3.44Å
1203	P	89.6	Confident	91.2	Very high	62 Å²	62	44 Å²	44	40%	0.403	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-55.9	-24.2	179.6	-27.5	35.1	0	0	0	115.2	P1190 F1205 K1206	P1190-P1203 HydrophobicContact CB-CG 3.95Å; P1190-P1203 HydrophobicContact CG-CG 3.86Å; P1203-F1205 PolarHBondContact O-N 3.24Å; P1203-K1206 WeakPolarHBondContact O-CB 3.31Å; P1203-K1206 PolarHBondContact O-N 2.79Å
1204	E	90.3	Very high	91.2	Very high	131 Å²	131	40.5 Å²	40.5	61%	0.612	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-61.1	-19.9	176.2	71.6	-161.9	149.7	0	0	114.1	S1202	S1202-E1204 VanDerWaalsContact CB-OE1 3.28Å; S1202-E1204 WeakPolarHBondContact CB-OE1 3.24Å; S1202-E1204 PolarHBondContact O-N 3.06Å; S1202-E1204 PolarHBondContact OG-OE1 3.49Å
1205	F	90.9	Very high	91.2	Very high	27 Å²	27	40.4 Å²	40.4	12%	0.118	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-101.1	6.8	-179.4	-59.3	-70.9	0	0	0	113.5	A1180 Y1201 S1202 P1203 G1207 Q1208 I1218	A1180-F1205 HydrophobicContact CB-CD1 3.91Å; A1180-F1205 HydrophobicContact CB-CD2 3.81Å; A1180-F1205 HydrophobicContact CB-CE1 3.78Å; A1180-F1205 HydrophobicContact CB-CE2 3.66Å; A1180-F1205 HydrophobicContact CB-CG 3.94Å; A1180-F1205 HydrophobicContact CB-CZ 3.66Å; Y1201-F1205 HydrophobicContact CD1-CB 4.21Å; Y1201-F1205 HydrophobicContact CD1-CD2 4.45Å; Y1201-F1205 HydrophobicContact CD1-CG 4.49Å; S1202-F1205 PolarHBondContact O-N 3.44Å; P1203-F1205 PolarHBondContact O-N 3.24Å; F1205-G1207 PolarHBondContact O-N 3.36Å; F1205-Q1208 WeakPolarHBondContact O-CB 3.34Å; F1205-Q1208 PolarHBondContact O-N 3.38Å; F1205-I1218 HydrophobicContact CB-CD1 4.1Å; F1205-I1218 WeakPolarHBondContact O-CD1 3.46Å
1206	K	90.5	Very high	91.3	Very high	119 Å²	119	38.6 Å²	38.6	52%	0.517	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	136.5	175.5	-169.4	175.6	-168.7	144.4	0	110.5	E1192 P1203 Q1208	E1192-K1206 HydrophobicContact CG-CB 4.32Å; E1192-K1206 HydrophobicContact CG-CD 4.45Å; E1192-K1206 HydrophobicContact CG-CG 4.48Å; E1192-K1206 WeakPolarHBondContact OE1-CD 3.48Å; E1192-K1206 IonicContact OE1-NZ 2.81Å; E1192-K1206 PolarHBondContact OE1-NZ 2.91Å; E1192-K1206 IonicContact OE2-NZ 3.47Å; P1203-K1206 WeakPolarHBondContact O-CB 3.31Å; P1203-K1206 PolarHBondContact O-N 2.79Å; K1206-Q1208 PolarHBondContact O-N 2.84Å
1207	G	89.3	Confident	91.4	Very high	42 Å²	42	40.7 Å²	40.7	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	-3.5	-178.2	0	0	0	0	0	115.3	F1205 E1217 I1218	F1205-G1207 PolarHBondContact O-N 3.36Å; G1207-E1217 WeakPolarHBondContact CA-OE1 3.27Å; G1207-I1218 PolarHBondContact N-O 3.02Å
1208	Q	93.3	Very high	91.6	Very high	94 Å²	94	40.7 Å²	40.7	44%	0.439	21%	0.214	S	C	.	.	S	Bend	trans	-87.6	163.8	172	-61.8	-174.3	16.9	0	0	111.7	F1205 K1206 I1218	F1205-Q1208 WeakPolarHBondContact O-CB 3.34Å; F1205-Q1208 PolarHBondContact O-N 3.38Å; K1206-Q1208 PolarHBondContact O-N 2.84Å; Q1208-I1218 HydrophobicContact CB-CD1 4.35Å; Q1208-I1218 WeakPolarHBondContact O-CG1 3.42Å; Q1208-I1218 PolarHBondContact O-N 2.93Å
1209	I	92.4	Very high	91.4	Very high	87 Å²	87	40.4 Å²	40.4	45%	0.446	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-71.4	131.1	174.3	-58.9	174.1	0	0	0	109.7	R1211 T1214	I1209-R1211 PolarHBondContact O-N 2.87Å; I1209-T1214 VanDerWaalsContact CG2-C 3.48Å; I1209-T1214 WeakPolarHBondContact CG2-O 3.39Å
1210	C	92.1	Very high	91.4	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-60.9	124.7	177	175.9	0	0	0	0	111.4	C1194 Y1201 V1212 T1213 T1214 T1216 I1218	C1194-C1210 HydrophobicContact CB-CB 4.24Å; Y1201-C1210 PolarHBondContact OH-SG 3.1Å; C1210-V1212 VanDerWaalsContact C-N 3.28Å; C1210-V1212 PolarHBondContact O-N 3.27Å; C1210-V1212 PolarHBondContact SG-N 2.84Å; C1210-T1213 WeakPolarHBondContact CB-OG1 3.34Å; C1210-T1214 WeakPolarHBondContact O-CA 3.36Å; C1210-T1214 PolarHBondContact O-N 2.59Å; C1210-T1216 WeakPolarHBondContact CB-O 3.2Å; C1210-T1216 WeakPolarHBondContact CB-OG1 3.25Å; C1210-T1216 PolarHBondContact N-O 3.38Å; C1210-I1218 HydrophobicContact CB-CG1 4.01Å
1211	R	89.8	Confident	91.2	Very high	129 Å²	129	49.7 Å²	49.7	49%	0.487	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22.2	178.4	-59.1	-165.4	-174.4	179.9	-6.1	114.3	A1180 Y1201 I1209	A1180-R1211 PolarHBondContact O-NH1 3.14Å; Y1201-R1211 PolarHBondContact OH-N 3.07Å; I1209-R1211 PolarHBondContact O-N 2.87Å
1212	V	90.8	Very high	91.1	Very high	4 Å²	4	52 Å²	52	2%	0.024	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-53.7	177.1	178.2	0	0	0	0	109.9	R1039 I1070 V1071 A1179 A1199 C1210	R1039-V1212 PolarHBondContact NE-O 2.78Å; I1070-V1212 HydrophobicContact CB-CG1 4.08Å; I1070-V1212 HydrophobicContact CD1-CG1 3.94Å; I1070-V1212 HydrophobicContact CG2-CB 4.31Å; I1070-V1212 HydrophobicContact CG2-CG1 3.84Å; I1070-V1212 HydrophobicContact CG2-CG2 4.4Å; V1071-V1212 HydrophobicContact CG2-CG2 3.6Å; A1179-V1212 HydrophobicContact CB-CG2 3.88Å; A1199-V1212 HydrophobicContact CB-CB 4.37Å; A1199-V1212 HydrophobicContact CB-CG2 3.78Å; C1210-V1212 VanDerWaalsContact C-N 3.28Å; C1210-V1212 PolarHBondContact O-N 3.27Å; C1210-V1212 PolarHBondContact SG-N 2.84Å
1213	T	89.6	Confident	91	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-26.3	-175	72.5	0	0	0	0	113.3	L1042 L1196 C1210 V1215 T1216	L1042-T1213 HydrophobicContact CD2-CG2 3.55Å; L1196-T1213 HydrophobicContact CB-CG2 4.41Å; L1196-T1213 HydrophobicContact CD2-CG2 4.34Å; C1210-T1213 WeakPolarHBondContact CB-OG1 3.34Å; T1213-V1215 PolarHBondContact O-N 3.15Å; T1213-V1215 VanDerWaalsContact O-N 3.11Å; T1213-V1215 PolarHBondContact OG1-N 3.19Å; T1213-T1216 PolarHBondContact OG1-N 2.95Å; T1213-T1216 PolarHBondContact OG1-OG1 3.39Å
1214	T	92	Very high	90.9	Very high	47 Å²	47	54.1 Å²	54.1	29%	0.288	28%	0.282	S	S	.	.	S	Bend	trans	60.1	4.8	-171.6	66.8	0	0	0	0	115.5	I1209 C1210	I1209-T1214 VanDerWaalsContact CG2-C 3.48Å; I1209-T1214 WeakPolarHBondContact CG2-O 3.39Å; C1210-T1214 WeakPolarHBondContact O-CA 3.36Å; C1210-T1214 PolarHBondContact O-N 2.59Å
1215	V	92.5	Very high	90.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-128.4	-28.6	-170.7	-58	0	0	0	0	114.2	V958 I959 Q960 P963 Y964 L1043 T1213	V958-V1215 HydrophobicContact CG1-CB 4.12Å; V958-V1215 HydrophobicContact CG1-CG2 4.41Å; V958-V1215 HydrophobicContact CG2-CG2 4.49Å; I959-V1215 PolarHBondContact N-O 2.8Å; Q960-V1215 PolarHBondContact N-O 3.1Å; Q960-V1215 VanDerWaalsContact N-O 3.15Å; Q960-V1215 WeakPolarHBondContact O-CB 3.4Å; Q960-V1215 VanDerWaalsContact O-CG1 3.28Å; Q960-V1215 WeakPolarHBondContact O-CG1 3.44Å; P963-V1215 HydrophobicContact CB-CG1 3.86Å; P963-V1215 HydrophobicContact CG-CG1 3.64Å; Y964-V1215 HydrophobicContact CD2-CG1 4.35Å; Y964-V1215 HydrophobicContact CE2-CB 4.24Å; Y964-V1215 HydrophobicContact CE2-CG1 4.25Å; Y964-V1215 HydrophobicContact CE2-CG2 3.92Å; L1043-V1215 HydrophobicContact CD1-CG1 4.31Å; L1043-V1215 HydrophobicContact CD2-CB 4.49Å; L1043-V1215 HydrophobicContact CD2-CG1 4.14Å; L1043-V1215 HydrophobicContact CD2-CG2 3.51Å; T1213-V1215 PolarHBondContact O-N 3.15Å; T1213-V1215 VanDerWaalsContact O-N 3.11Å; T1213-V1215 PolarHBondContact OG1-N 3.19Å
1216	T	93.8	Very high	90.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-99.4	147.8	-173.8	59.4	0	0	0	0	112.6	V956 G957 V958 C1194 L1196 C1210 T1213	V956-T1216 VanDerWaalsContact O-CG2 3.3Å; V956-T1216 WeakPolarHBondContact O-CG2 3.45Å; G957-T1216 VanDerWaalsContact O-CA 3.25Å; G957-T1216 WeakPolarHBondContact O-CA 3.15Å; V958-T1216 HydrophobicContact CG2-CG2 4.33Å; C1194-T1216 PolarHBondContact SG-OG1 3.15Å; L1196-T1216 HydrophobicContact CB-CG2 3.7Å; L1196-T1216 HydrophobicContact CD2-CG2 4.13Å; C1210-T1216 WeakPolarHBondContact CB-O 3.2Å; C1210-T1216 WeakPolarHBondContact CB-OG1 3.25Å; C1210-T1216 PolarHBondContact N-O 3.38Å; T1213-T1216 PolarHBondContact OG1-N 2.95Å; T1213-T1216 PolarHBondContact OG1-OG1 3.39Å
1217	E	93.4	Very high	90.8	Very high	51 Å²	51	45.4 Å²	45.4	24%	0.238	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-77	138.3	170.5	-164.7	-179.8	174	0	0	111.9	G957 I959 P1195 G1207 K1220	G957-E1217 PolarHBondContact O-N 3.33Å; G957-E1217 VanDerWaalsContact O-N 3.1Å; I959-E1217 HydrophobicContact CD1-CB 3.67Å; I959-E1217 HydrophobicContact CD1-CG 4.1Å; I959-E1217 WeakPolarHBondContact CD1-OE2 3.28Å; I959-E1217 HydrophobicContact CG1-CB 4.31Å; P1195-E1217 WeakPolarHBondContact CD-O 3.42Å; G1207-E1217 WeakPolarHBondContact CA-OE1 3.27Å; E1217-K1220 HydrophobicContact CB-CB 4.12Å; E1217-K1220 HydrophobicContact CB-CD 4.23Å; E1217-K1220 HydrophobicContact CG-CB 4.48Å; E1217-K1220 WeakPolarHBondContact OE2-CD 3.35Å; E1217-K1220 IonicContact OE2-NZ 2.8Å
1218	I	93.6	Very high	90.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	129.1	178.7	-61.7	162.2	0	0	0	110.1	E1192 Y1201 F1205 G1207 Q1208 C1210 K1220	E1192-I1218 HydrophobicContact CB-CG2 4.06Å; Y1201-I1218 HydrophobicContact CD1-CD1 3.71Å; Y1201-I1218 HydrophobicContact CD2-CD1 3.92Å; Y1201-I1218 HydrophobicContact CD2-CG1 3.91Å; Y1201-I1218 HydrophobicContact CD2-CG2 3.78Å; Y1201-I1218 HydrophobicContact CE1-CD1 3.75Å; Y1201-I1218 HydrophobicContact CE2-CD1 3.95Å; Y1201-I1218 HydrophobicContact CE2-CG1 3.91Å; Y1201-I1218 HydrophobicContact CG-CD1 3.82Å; Y1201-I1218 HydrophobicContact CG-CG1 4.27Å; Y1201-I1218 HydrophobicContact CG-CG2 3.94Å; F1205-I1218 HydrophobicContact CB-CD1 4.1Å; F1205-I1218 WeakPolarHBondContact O-CD1 3.46Å; G1207-I1218 PolarHBondContact N-O 3.02Å; Q1208-I1218 HydrophobicContact CB-CD1 4.35Å; Q1208-I1218 WeakPolarHBondContact O-CG1 3.42Å; Q1208-I1218 PolarHBondContact O-N 2.93Å; C1210-I1218 HydrophobicContact CB-CG1 4.01Å; I1218-K1220 VanDerWaalsContact C-N 3.34Å
1219	G	87.3	Confident	90.3	Very high	15 Å²	15	41.8 Å²	41.8	16%	0.155	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	18.2	174.7	0	0	0	0	0	114.8	E1192 K1193	E1192-G1219 WeakPolarHBondContact OE2-CA 3.39Å; K1193-G1219 PolarHBondContact O-N 3.17Å; K1193-G1219 VanDerWaalsContact O-N 3.11Å
1220	K	90.6	Very high	89.9	Confident	50 Å²	50	41 Å²	41	22%	0.217	22%	0.215	C	C	.	.			trans	-78.8	136.8	175.2	-177	172.1	-170.2	150.8	0	111.6	H953 P1195 E1217 I1218 V1222	H953-K1220 PolarHBondContact CE1-NZ 3.36Å; H953-K1220 PolarHBondContact NE2-NZ 3.02Å; P1195-K1220 HydrophobicContact CG-CB 4.33Å; P1195-K1220 WeakPolarHBondContact CG-O 3.44Å; E1217-K1220 HydrophobicContact CB-CB 4.12Å; E1217-K1220 HydrophobicContact CB-CD 4.23Å; E1217-K1220 HydrophobicContact CG-CB 4.48Å; E1217-K1220 WeakPolarHBondContact OE2-CD 3.35Å; E1217-K1220 IonicContact OE2-NZ 2.8Å; I1218-K1220 VanDerWaalsContact C-N 3.34Å; K1220-V1222 HydrophobicContact CG-CG1 4.21Å
1221	D	89.1	Confident	89.4	Confident	161 Å²	161	42.4 Å²	42.4	86%	0.861	22%	0.222	S	C	*	.			trans	-73.6	125.1	173.5	-66.7	-35.8	0	0	0	110.6
1222	V	91.9	Very high	88.9	Confident	48 Å²	48	40 Å²	40	29%	0.291	21%	0.214	S	C	.	.			trans	-140.6	163.2	-175.5	-58.1	0	0	0	0	111.6	D954 Q955 P1195 K1220 G1224	D954-V1222 WeakPolarHBondContact O-CA 3.37Å; D954-V1222 WeakPolarHBondContact O-CB 3.48Å; Q955-V1222 WeakPolarHBondContact O-CB 3.37Å; Q955-V1222 WeakPolarHBondContact O-CG2 3.35Å; P1195-V1222 HydrophobicContact CB-CB 4.46Å; P1195-V1222 HydrophobicContact CB-CG1 4Å; P1195-V1222 HydrophobicContact CB-CG2 3.58Å; P1195-V1222 HydrophobicContact CG-CG1 4.16Å; P1195-V1222 HydrophobicContact CG-CG2 4.39Å; K1220-V1222 HydrophobicContact CG-CG1 4.21Å; V1222-G1224 VanDerWaalsContact C-N 3.27Å; V1222-G1224 PolarHBondContact O-N 2.94Å
1223	I	88.2	Confident	87.6	Confident	105 Å²	105	52.6 Å²	52.6	54%	0.538	26%	0.262	S	S	.	.			trans	-72.4	-22.5	177.9	-58.5	169.1	0	0	0	112.3	D954 R1226	D954-I1223 HydrophobicContact CB-CD1 4.29Å; D954-I1223 PolarHBondContact O-N 2.82Å; I1223-R1226 PolarHBondContact O-NH2 2.79Å
1224	G	86.8	Confident	87.5	Confident	24 Å²	24	55.2 Å²	55.2	25%	0.247	28%	0.275	C	S	.	.			trans	96.3	164.3	-175.3	0	0	0	0	0	113.1	Q955 V1222 R1226	Q955-G1224 CarbonylContact O-C 3.53Å; Q955-G1224 VanDerWaalsContact O-CA 3.26Å; Q955-G1224 WeakPolarHBondContact O-CA 3.16Å; Q955-G1224 PolarHBondContact O-N 2.76Å; V1222-G1224 VanDerWaalsContact C-N 3.27Å; V1222-G1224 PolarHBondContact O-N 2.94Å; G1224-R1226 PolarHBondContact O-N 2.89Å
1225	L	89.8	Confident	87.3	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	27%	0.274	C	S	.	.			trans	-59.2	118.6	-176.9	-179	71.7	0	0	0	112.2	V956 V1045 P1046 I1063 L1196 I1227 Q1231	V956-L1225 HydrophobicContact CG1-CB 4.29Å; V956-L1225 HydrophobicContact CG1-CD1 3.99Å; V1045-L1225 HydrophobicContact CG1-CD2 4.29Å; P1046-L1225 HydrophobicContact CB-CD1 4.2Å; P1046-L1225 HydrophobicContact CG-CD1 4.11Å; I1063-L1225 HydrophobicContact CD1-CD2 3.62Å; L1196-L1225 HydrophobicContact CD1-CD1 4.37Å; L1225-I1227 HydrophobicContact CD1-CG2 3.87Å; L1225-I1227 HydrophobicContact CD2-CD1 4.49Å; L1225-I1227 HydrophobicContact CD2-CG2 4.49Å; L1225-I1227 HydrophobicContact CG-CG2 4.03Å; L1225-Q1231 PolarHBondContact O-NE2 3.25Å
1226	R	90.4	Very high	87	Confident	67 Å²	67	58.7 Å²	58.7	25%	0.253	29%	0.289	S	S	.	.			trans	-116.4	104.3	174.8	-54.7	-62.5	166.8	169.3	-4.7	110.9	Q955 I1223 G1224 Q1231 F1232	Q955-R1226 HydrophobicContact CG-CG 4.27Å; I1223-R1226 PolarHBondContact O-NH2 2.79Å; G1224-R1226 PolarHBondContact O-N 2.89Å; R1226-Q1231 PolarHBondContact NH1-O 2.88Å; R1226-F1232 HydrophobicContact CB-CE1 4.18Å; R1226-F1232 HydrophobicContact CB-CE2 3.81Å; R1226-F1232 HydrophobicContact CB-CZ 3.46Å; R1226-F1232 VanDerWaalsContact CB-CZ 3.46Å; R1226-F1232 HydrophobicContact CG-CE1 4.02Å; R1226-F1232 HydrophobicContact CG-CE2 4.4Å; R1226-F1232 HydrophobicContact CG-CZ 3.82Å
1227	I	90.5	Very high	86.6	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.306	C	S	.	.			trans	-121.5	2.1	179.2	56.1	167.3	0	0	0	112.3	V1045 L1048 V1049 V1050 A1059 L1225	V1045-I1227 WeakPolarHBondContact O-CG2 3.41Å; L1048-I1227 WeakPolarHBondContact O-CB 3.33Å; V1049-I1227 CarbonylContact C-O 3.59Å; V1049-I1227 VanDerWaalsContact CA-O 3.28Å; V1049-I1227 WeakPolarHBondContact CA-O 3.12Å; V1050-I1227 HydrophobicContact CG1-CD1 4.39Å; V1050-I1227 HydrophobicContact CG2-CD1 3.8Å; V1050-I1227 HydrophobicContact CG2-CG1 3.85Å; V1050-I1227 PolarHBondContact N-O 2.87Å; A1059-I1227 HydrophobicContact CB-CD1 3.55Å; L1225-I1227 HydrophobicContact CD1-CG2 3.87Å; L1225-I1227 HydrophobicContact CD2-CD1 4.49Å; L1225-I1227 HydrophobicContact CD2-CG2 4.49Å; L1225-I1227 HydrophobicContact CG-CG2 4.03Å
1228	S	88.4	Confident	86.1	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-135.8	140.5	177.7	-176	0	0	0	0	111.2	V1050 L1230 Q1231	V1050-S1228 WeakPolarHBondContact O-CA 3.5Å; V1050-S1228 WeakPolarHBondContact O-CB 3.37Å; V1050-S1228 PolarHBondContact O-OG 3.34Å; S1228-L1230 PolarHBondContact O-N 3.25Å; S1228-L1230 VanDerWaalsContact O-N 3.17Å; S1228-L1230 PolarHBondContact OG-N 3.03Å; S1228-Q1231 WeakPolarHBondContact O-CB 3.25Å; S1228-Q1231 PolarHBondContact O-N 3.4Å
1229	P	82.3	Confident	85.7	Confident	60 Å²	60	66.9 Å²	66.9	39%	0.39	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-55.6	-28.7	170	-24.4	34.9	0	0	0	113.2	L935 Q1231 F1232	L935-P1229 HydrophobicContact CD1-CG 4.13Å; P1229-Q1231 PolarHBondContact O-N 3.2Å; P1229-F1232 PolarHBondContact O-N 3.08Å; P1229-F1232 VanDerWaalsContact O-N 3.14Å
1230	L	84.5	Confident	85.5	Confident	71 Å²	71	70.6 Å²	70.6	37%	0.372	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-61.6	-23.7	177.2	-67.8	-178.2	0	0	0	113.5	D1051 S1228 F1232	D1051-L1230 WeakPolarHBondContact O-CD1 3.43Å; S1228-L1230 PolarHBondContact O-N 3.25Å; S1228-L1230 VanDerWaalsContact O-N 3.17Å; S1228-L1230 PolarHBondContact OG-N 3.03Å; L1230-F1232 VanDerWaalsContact C-N 3.27Å; L1230-F1232 PolarHBondContact O-N 2.83Å
1231	Q	82.6	Confident	85.1	Confident	31 Å²	31	72.2 Å²	72.2	15%	0.145	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-81.1	-6.6	-179.4	-62.1	176.1	-74.2	0	0	112.7	I1056 L1225 R1226 S1228 P1229	I1056-Q1231 HydrophobicContact CD1-CG 3.85Å; L1225-Q1231 PolarHBondContact O-NE2 3.25Å; R1226-Q1231 PolarHBondContact NH1-O 2.88Å; S1228-Q1231 WeakPolarHBondContact O-CB 3.25Å; S1228-Q1231 PolarHBondContact O-N 3.4Å; P1229-Q1231 PolarHBondContact O-N 3.2Å
1232	F	78.9	Confident	84.8	Confident	77 Å²	77	64.8 Å²	64.8	34%	0.338	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-99.9	-4	176.8	-63.7	-85.4	0	0	0	113.2	Q934 L935 R1226 P1229 L1230	Q934-F1232 HydrophobicContact CB-CD1 4.26Å; Q934-F1232 HydrophobicContact CB-CE1 3.81Å; Q934-F1232 HydrophobicContact CB-CE2 4.5Å; Q934-F1232 HydrophobicContact CB-CZ 3.93Å; L935-F1232 HydrophobicContact CD2-CE2 3.74Å; L935-F1232 HydrophobicContact CD2-CZ 4.37Å; L935-F1232 HydrophobicContact CG-CE2 4.3Å; R1226-F1232 HydrophobicContact CB-CE1 4.18Å; R1226-F1232 HydrophobicContact CB-CE2 3.81Å; R1226-F1232 HydrophobicContact CB-CZ 3.46Å; R1226-F1232 VanDerWaalsContact CB-CZ 3.46Å; R1226-F1232 HydrophobicContact CG-CE1 4.02Å; R1226-F1232 HydrophobicContact CG-CE2 4.4Å; R1226-F1232 HydrophobicContact CG-CZ 3.82Å; P1229-F1232 PolarHBondContact O-N 3.08Å; P1229-F1232 VanDerWaalsContact O-N 3.14Å; L1230-F1232 VanDerWaalsContact C-N 3.27Å; L1230-F1232 PolarHBondContact O-N 2.83Å
1233	R	63.5	Low	84.2	Confident	269 Å²	269	66.4 Å²	66.4	100%	1.015	31%	0.312	S	S	*	.			trans	-91.3	0	168.1	-62.5	-177.5	-177.8	179	0.8	109.3

Retrieved 1,233 of 1,233 residues in 443 ms (Link to these results)

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