A0A3Q0KQV7_SCHMA Loading...

Putative tripartite motif protein trim9

AlphaFold DB , UniProt , Accession A0A3Q0KQV7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,060 aa.

						>A0A3Q0KQV7_SCHMA|A0A3Q0KQV7
MISSKLKPEITCPLCNQIFQTPLLLPCGHSVCSGCISKFRRTLNKSSFITSNQTHYPAIQTNSSIGIEDAISEADSGVVVCSLESNNDCQLTSYSPQNINRTHSVQELCRICSTTRNNSNSFKKTNHFTSINLENGNNETLSSDILPHNIALENLITRITKAEVNHRDIDTTTLNSGVIKKDNTSLSTIRCQLCESSNEILTLSFCEQCNLWYCKTCLKLWHPPTEMLMKHRITSFNNHNSLLYSSKQIMTEVTGPICTHHSGYVCNLYCITCSMFVCLRCLNSNDRNYNNDHSYHNINSSHNDVTTSNLYTSNSISPHECLSHIGHTVCSTNIYAKKMKAEVSKLLHRLSEEAKRGAELVQSLKHTEDQLRRNISNMETFINQEIDMLIEALQEKRTQLIENLHSEVQQRRQYIREQTNQAGSRLSSTTSLIYFGVELIKERESSAFIQVAPSIKQRLISTENELIQETQFCRENCLGDFQLRVSNTNDLLERIEGITLNEIYPPPVPKIILSQCLVESNSIQLLWDTINTSTPLKNDENEHYHMQKSFSLLNNTSNSNEVKRVFDQNNNSNIQLNSSHSLCCKDLYHSLSNSGLTTPATVRLRSNYHIPESVSAYALMTNSKEMEVSKEQRFHQSMEHRDHHQHNSLSLSSNQCALTVPSTPELNGSYSVNTLHKSITINSDIRLLSTMNNGELIQFQLEVDNGRGGPFKVVYTGPEYVCRVEGLHLNTTYRFRIRSTNGIAQSAYSDIVEIKTARLASFVMNPLSGPISGLKLASDGCTISAQGDVEDRVLLGDVGFSEGIHYWEWNVEQYDGKGQPSFGIALAQVSKDKMLGQDEFGWAMYLNSKRSWFLHRGEHRDRTDGGIKIIQQEINDKNSTQNTSLITTIIGVRFDCERGHLAFYLNGEPHGPIAFTNLNIKQGDKSNQDGDNKKKLNIFYPAISLSHYTRVRLVSGLEVPSESEDSSDSSEAEYDLSLSTPQFHFNSTGSKHYPIDHNDNNNNSSNNESENKNIVTYPLPTCLVRSTTAPCIRKPSSPDTLLRLPKKSTVLPKLITFSRS
					

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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	49.7	Very low	74.1	Confident	206 Å²	206	93.5 Å²	93.5	100%	1.015	49%	0.491	S	S	*	.				0	114.2	0	-84.5	-177.3	166	0	0	107.8	S3 E163	M1-S3 PolarHBondContact O-N 3.22Å; M1-E163 VanDerWaalsContact CA-OE1 3.3Å; M1-E163 WeakPolarHBondContact CA-OE1 3.34Å; M1-E163 PolarHBondContact N-OE1 3.39Å; M1-E163 PolarHBondContact N-OE2 2.89Å
2	I	56.5	Low	75.4	Confident	46 Å²	46	85.8 Å²	85.8	24%	0.236	45%	0.45	C	S	.	.			trans	-56.7	134.8	176	-55.9	100.6	0	0	0	109.3	S4 L6 I10 I18 I159 E163	I2-S4 PolarHBondContact O-N 3.27Å; I2-L6 HydrophobicContact CG2-CB 3.89Å; I2-L6 HydrophobicContact CG2-CD2 4.15Å; I2-L6 HydrophobicContact CG2-CG 4.07Å; I2-I10 HydrophobicContact CB-CD1 4.14Å; I2-I10 HydrophobicContact CD1-CD1 3.86Å; I2-I10 HydrophobicContact CG1-CD1 3.64Å; I2-I10 HydrophobicContact CG2-CD1 3.81Å; I2-I18 HydrophobicContact CD1-CD1 4.27Å; I2-I159 HydrophobicContact CG1-CG2 3.74Å; I2-E163 PolarHBondContact N-OE1 2.54Å
3	S	61.5	Low	76	Confident	73 Å²	73	81.6 Å²	81.6	51%	0.51	43%	0.431	S	S	.	.			trans	-50.7	136.8	175.5	-177.6	0	0	0	0	110.7	M1 K5 L6 K7	M1-S3 PolarHBondContact O-N 3.22Å; S3-K5 PolarHBondContact O-N 3.31Å; S3-L6 PolarHBondContact O-N 2.96Å; S3-K7 PolarHBondContact O-N 3.02Å; S3-K7 VanDerWaalsContact O-N 3.07Å
4	S	70.6	Confident	76.6	Confident	102 Å²	102	79.7 Å²	79.7	71%	0.713	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.1	-179.6	51.1	0	0	0	0	112.8	I2 P8	I2-S4 PolarHBondContact O-N 3.27Å; S4-P8 WeakPolarHBondContact O-CD 3.23Å
5	K	74.7	Confident	77.4	Confident	184 Å²	184	77.9 Å²	77.9	80%	0.8	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.7	176.2	-60.7	-172.6	178.1	-173.4	0	114.3	S3	S3-K5 PolarHBondContact O-N 3.31Å
6	L	78.8	Confident	78	Confident	67 Å²	67	81.1 Å²	81.1	35%	0.351	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-18.8	-178.1	-175	62.1	0	0	0	112.8	I2 S3 E9 I10 I159	I2-L6 HydrophobicContact CG2-CB 3.89Å; I2-L6 HydrophobicContact CG2-CD2 4.15Å; I2-L6 HydrophobicContact CG2-CG 4.07Å; S3-L6 PolarHBondContact O-N 2.96Å; L6-E9 HydrophobicContact CD1-CB 4.19Å; L6-E9 PolarHBondContact O-N 3.38Å; L6-I10 HydrophobicContact CG-CG2 4.47Å; L6-I159 HydrophobicContact CD2-CD1 3.82Å
7	K	81.4	Confident	78.6	Confident	129 Å²	129	83.8 Å²	83.8	56%	0.561	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	-50.9	176.8	-172.1	-179	177.6	-173.9	0	114.1	S3 E9 I10 T11	S3-K7 PolarHBondContact O-N 3.02Å; S3-K7 VanDerWaalsContact O-N 3.07Å; K7-E9 PolarHBondContact O-N 3.44Å; K7-I10 WeakPolarHBondContact O-CG1 3.14Å; K7-I10 PolarHBondContact O-N 3.29Å; K7-T11 HydrophobicContact CG-CG2 4.34Å; K7-T11 WeakPolarHBondContact O-CG2 3.29Å; K7-T11 PolarHBondContact O-N 2.92Å; K7-T11 PolarHBondContact O-OG1 3.44Å; K7-T11 VanDerWaalsContact O-OG1 3.1Å
8	P	81.5	Confident	79.1	Confident	74 Å²	74	82.6 Å²	82.6	48%	0.481	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-58.9	-45.8	-177.7	21.3	-32.9	0	0	0	112.9	S4 I10 T11	S4-P8 WeakPolarHBondContact O-CD 3.23Å; P8-I10 PolarHBondContact O-N 3.48Å; P8-I10 VanDerWaalsContact O-N 3.14Å; P8-T11 PolarHBondContact O-N 3.01Å; P8-T11 VanDerWaalsContact O-N 3.07Å; P8-T11 PolarHBondContact O-OG1 3.28Å; P8-T11 VanDerWaalsContact O-OG1 3.06Å
9	E	85.1	Confident	79.6	Confident	118 Å²	118	79.2 Å²	79.2	55%	0.551	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-62.6	-21.3	-176.7	-60.6	-55	135.1	0	0	114.6	L6 K7	L6-E9 HydrophobicContact CD1-CB 4.19Å; L6-E9 PolarHBondContact O-N 3.38Å; K7-E9 PolarHBondContact O-N 3.44Å
10	I	87.4	Confident	79.9	Confident	4 Å²	4	82.3 Å²	82.3	2%	0.021	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-106.2	1.9	178.3	67	161.2	0	0	0	113.7	I2 L6 K7 P8 I18 F19 L152 I156 I159	I2-I10 HydrophobicContact CB-CD1 4.14Å; I2-I10 HydrophobicContact CD1-CD1 3.86Å; I2-I10 HydrophobicContact CG1-CD1 3.64Å; I2-I10 HydrophobicContact CG2-CD1 3.81Å; L6-I10 HydrophobicContact CG-CG2 4.47Å; K7-I10 WeakPolarHBondContact O-CG1 3.14Å; K7-I10 PolarHBondContact O-N 3.29Å; P8-I10 PolarHBondContact O-N 3.48Å; P8-I10 VanDerWaalsContact O-N 3.14Å; I10-I18 HydrophobicContact CD1-CG1 4.45Å; I10-I18 WeakPolarHBondContact O-CA 3.36Å; I10-F19 WeakPolarHBondContact O-CD2 3.29Å; I10-F19 PolarHBondContact O-N 3.43Å; I10-F19 VanDerWaalsContact O-N 3.12Å; I10-L152 HydrophobicContact CG2-CD1 4.46Å; I10-I156 HydrophobicContact CB-CD1 4.45Å; I10-I156 HydrophobicContact CB-CG1 4.12Å; I10-I156 HydrophobicContact CG2-CG1 4.18Å; I10-I159 HydrophobicContact CG2-CD1 4.44Å
11	T	88.6	Confident	80.3	Confident	26 Å²	26	81.2 Å²	81.2	16%	0.16	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-110.6	138.6	179.1	53.2	0	0	0	0	112.9	K7 P8 Q17 F19	K7-T11 HydrophobicContact CG-CG2 4.34Å; K7-T11 WeakPolarHBondContact O-CG2 3.29Å; K7-T11 PolarHBondContact O-N 2.92Å; K7-T11 PolarHBondContact O-OG1 3.44Å; K7-T11 VanDerWaalsContact O-OG1 3.1Å; P8-T11 PolarHBondContact O-N 3.01Å; P8-T11 VanDerWaalsContact O-N 3.07Å; P8-T11 PolarHBondContact O-OG1 3.28Å; P8-T11 VanDerWaalsContact O-OG1 3.06Å; T11-Q17 CarbonylContact C-O 3.59Å; T11-Q17 VanDerWaalsContact CA-O 3.27Å; T11-Q17 WeakPolarHBondContact CA-O 3.4Å; T11-F19 WeakPolarHBondContact O-CE2 3.33Å; T11-F19 VanDerWaalsContact O-CZ 3.31Å; T11-F19 WeakPolarHBondContact O-CZ 3.32Å
12	C	88.9	Confident	82.2	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.378	C	S	.	.			trans	-76.6	122.8	179.4	176.5	0	0	0	0	111.8	L14 C15 N16 Q17 F19 C32	C12-L14 PolarHBondContact O-N 3.07Å; C12-C15 PolarHBondContact O-N 3.14Å; C12-C15 VanDerWaalsContact O-N 3.11Å; C12-N16 WeakPolarHBondContact O-CA 3.28Å; C12-N16 PolarHBondContact O-N 3.24Å; C12-Q17 PolarHBondContact N-O 2.88Å; C12-F19 HydrophobicContact CB-CD1 3.68Å; C12-F19 HydrophobicContact CB-CE1 3.52Å; C12-F19 HydrophobicContact CB-CG 4.49Å; C12-F19 HydrophobicContact CB-CZ 4.25Å; C12-C32 WeakPolarHBondContact CB-SG 3.3Å; C12-C32 VanDerWaalsContact SG-SG 3.68Å
13	P	83.2	Confident	83.6	Confident	32 Å²	32	70.1 Å²	70.1	21%	0.208	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	5.6	-175.8	30.7	-37.8	0	0	0	114.8	I111	P13-I111 HydrophobicContact CB-CD1 4.13Å; P13-I111 HydrophobicContact CB-CG1 4.06Å; P13-I111 HydrophobicContact CG-CD1 3.98Å; P13-I111 HydrophobicContact CG-CG1 4.22Å
14	L	84.3	Confident	84.8	Confident	55 Å²	55	68.6 Å²	68.6	29%	0.288	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-10.2	174	-62.5	-173.7	0	0	0	113.9	C12 V31 C35 R110	C12-L14 PolarHBondContact O-N 3.07Å; L14-V31 HydrophobicContact CD1-CG1 3.69Å; L14-V31 HydrophobicContact CG-CG1 4.32Å; L14-C35 HydrophobicContact CB-CB 4.01Å; L14-C35 HydrophobicContact CD1-CB 4.12Å; L14-R110 HydrophobicContact CD2-CG 4.14Å
15	C	89.2	Confident	85.4	Confident	52 Å²	52	64.1 Å²	64.1	35%	0.351	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-5	176.9	63	0	0	0	0	114.6	C12 Q17	C12-C15 PolarHBondContact O-N 3.14Å; C12-C15 VanDerWaalsContact O-N 3.11Å; C15-Q17 HydrophobicContact CB-CG 4.47Å; C15-Q17 PolarHBondContact O-N 3.23Å
16	N	87.2	Confident	85.5	Confident	130 Å²	130	59.1 Å²	59.1	70%	0.695	31%	0.312	S	S	*	.	S	Bend	trans	55.5	18.2	-180	-57.3	-14.8	0	0	0	114.6	C12	C12-N16 WeakPolarHBondContact O-CA 3.28Å; C12-N16 PolarHBondContact O-N 3.24Å
17	Q	88.6	Confident	85.6	Confident	127 Å²	127	58.6 Å²	58.6	59%	0.593	31%	0.313	S	S	*	.	S	Bend	trans	-96.7	160.6	173.1	-64.7	-85	-23.6	0	0	109.8	T11 C12 C15	T11-Q17 CarbonylContact C-O 3.59Å; T11-Q17 VanDerWaalsContact CA-O 3.27Å; T11-Q17 WeakPolarHBondContact CA-O 3.4Å; C12-Q17 PolarHBondContact N-O 2.88Å; C15-Q17 HydrophobicContact CB-CG 4.47Å; C15-Q17 PolarHBondContact O-N 3.23Å
18	I	87	Confident	85.6	Confident	62 Å²	62	55 Å²	55	32%	0.318	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-57.8	141.9	169.1	-64.1	175.2	0	0	0	109.3	I2 I10 Q20 I156	I2-I18 HydrophobicContact CD1-CD1 4.27Å; I10-I18 HydrophobicContact CD1-CG1 4.45Å; I10-I18 WeakPolarHBondContact O-CA 3.36Å; I18-Q20 PolarHBondContact O-N 2.99Å; I18-I156 HydrophobicContact CG2-CD1 3.97Å; I18-I156 HydrophobicContact CG2-CG1 4.23Å; I18-I156 HydrophobicContact CG2-CG2 3.54Å
19	F	88.7	Confident	85.9	Confident	18 Å²	18	53.9 Å²	53.9	8%	0.079	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-56.8	132.2	-176.4	-72.2	-76.9	0	0	0	113.5	I10 T11 C12 P22 S30 L152 I156	I10-F19 WeakPolarHBondContact O-CD2 3.29Å; I10-F19 PolarHBondContact O-N 3.43Å; I10-F19 VanDerWaalsContact O-N 3.12Å; T11-F19 WeakPolarHBondContact O-CE2 3.33Å; T11-F19 VanDerWaalsContact O-CZ 3.31Å; T11-F19 WeakPolarHBondContact O-CZ 3.32Å; C12-F19 HydrophobicContact CB-CD1 3.68Å; C12-F19 HydrophobicContact CB-CE1 3.52Å; C12-F19 HydrophobicContact CB-CG 4.49Å; C12-F19 HydrophobicContact CB-CZ 4.25Å; F19-P22 HydrophobicContact CB-CB 3.9Å; F19-P22 HydrophobicContact CB-CG 4.16Å; F19-P22 HydrophobicContact CD1-CB 3.92Å; F19-P22 HydrophobicContact CG-CB 3.98Å; F19-S30 VanDerWaalsContact CE1-C 3.41Å; F19-S30 WeakPolarHBondContact CE1-O 3.35Å; F19-S30 WeakPolarHBondContact CZ-O 3.28Å; F19-L152 HydrophobicContact CD2-CD2 3.63Å; F19-L152 HydrophobicContact CD2-CG 4.27Å; F19-L152 HydrophobicContact CE2-CD2 3.8Å; F19-L152 HydrophobicContact CG-CD2 4.19Å; F19-L152 HydrophobicContact CZ-CD2 4.48Å; F19-I156 HydrophobicContact CB-CD1 3.71Å; F19-I156 HydrophobicContact CD2-CD1 4.18Å; F19-I156 HydrophobicContact CG-CD1 4.45Å
20	Q	86.3	Confident	86.1	Confident	141 Å²	141	48.6 Å²	48.6	66%	0.659	28%	0.277	S	S	*	.	S	Bend	trans	-116.1	114.7	170	-67.4	177.7	-14.3	0	0	107.7	I18 C32	I18-Q20 PolarHBondContact O-N 2.99Å; Q20-C32 PolarHBondContact N-SG 3.5Å; Q20-C32 VanDerWaalsContact O-CB 3.27Å; Q20-C32 WeakPolarHBondContact O-CB 3.37Å
21	T	86.7	Confident	86.2	Confident	59 Å²	59	48.7 Å²	48.7	36%	0.362	28%	0.278	S	S	.	.	S	Bend	trans	47	68.1	-171.7	55.8	0	0	0	0	113.1	L23 S33 H148	T21-L23 PolarHBondContact O-N 3.34Å; T21-S33 PolarHBondContact O-N 3.43Å; T21-S33 WeakPolarHBondContact OG1-CB 3.45Å; T21-S33 PolarHBondContact OG1-OG 3.29Å; T21-H148 VanDerWaalsContact C-NE2 3.3Å; T21-H148 WeakPolarHBondContact CA-NE2 3.37Å; T21-H148 WeakPolarHBondContact CB-NE2 3.45Å
22	P	89.7	Confident	86.2	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.5	-177.2	25.9	-32.1	0	0	0	112	F19 H148 N149 L152 E153	F19-P22 HydrophobicContact CB-CB 3.9Å; F19-P22 HydrophobicContact CB-CG 4.16Å; F19-P22 HydrophobicContact CD1-CB 3.92Å; F19-P22 HydrophobicContact CG-CB 3.98Å; P22-H148 PolarHBondContact O-CD2 3.12Å; P22-N149 HydrophobicContact CB-CB 4.14Å; P22-N149 HydrophobicContact CG-CB 4.11Å; P22-N149 WeakPolarHBondContact O-CB 3.39Å; P22-N149 PolarHBondContact O-N 2.85Å; P22-L152 HydrophobicContact CB-CD2 4.04Å; P22-L152 HydrophobicContact CG-CB 4.3Å; P22-L152 HydrophobicContact CG-CD2 4.31Å; P22-L152 HydrophobicContact CG-CG 4.34Å; P22-E153 HydrophobicContact CG-CB 4.37Å
23	L	87.3	Confident	86.1	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.094	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.4	168	-58.8	175.2	0	0	0	109.4	T21 S30 V31 I36 L146 H148	T21-L23 PolarHBondContact O-N 3.34Å; L23-S30 CarbonylContact O-C 3.58Å; L23-S30 WeakPolarHBondContact O-CA 3.42Å; L23-S30 WeakPolarHBondContact O-CB 3.46Å; L23-V31 PolarHBondContact N-O 2.92Å; L23-V31 PolarHBondContact O-N 3Å; L23-I36 HydrophobicContact CD1-CG2 3.75Å; L23-L146 HydrophobicContact CB-CB 4.14Å; L23-L146 HydrophobicContact CD1-CB 4.44Å; L23-H148 HydrophobicContact CD2-CB 4.46Å
24	L	85	Confident	86.1	Confident	42 Å²	42	49.9 Å²	49.9	22%	0.22	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.9	-179.2	-178.1	65.1	0	0	0	110.8	G28 F128 P147 N149	L24-G28 WeakPolarHBondContact CD1-O 3.24Å; L24-F128 HydrophobicContact CD2-CZ 4.42Å; L24-P147 HydrophobicContact CB-CG 4.29Å; L24-P147 PolarHBondContact N-O 3.4Å; L24-N149 HydrophobicContact CB-CB 4.24Å
25	L	84.6	Confident	86.3	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.042	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-92.9	158.3	173.4	-61.2	-177.6	0	0	0	111.2	C27 G28 H29 V31 L108 C109 L146	L25-C27 PolarHBondContact O-N 3.04Å; L25-G28 PolarHBondContact O-N 3.11Å; L25-H29 WeakPolarHBondContact CB-O 3.37Å; L25-H29 PolarHBondContact N-O 3.49Å; L25-V31 HydrophobicContact CD1-CG2 3.83Å; L25-V31 HydrophobicContact CG-CG2 4.38Å; L25-L108 HydrophobicContact CD1-CB 4.12Å; L25-L108 HydrophobicContact CD2-CB 4.07Å; L25-L108 HydrophobicContact CD2-CD1 4.26Å; L25-C109 HydrophobicContact CD1-CB 3.66Å; L25-L146 HydrophobicContact CD2-CD1 3.95Å; L25-L146 HydrophobicContact CD2-CD2 4.3Å
26	P	75.4	Confident	85.9	Confident	79 Å²	79	46.2 Å²	46.2	51%	0.513	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-13.6	178.5	-26.7	35.6	0	0	0	115.8	V105	P26-V105 HydrophobicContact CG-CG1 3.9Å
27	C	81.2	Confident	85.4	Confident	56 Å²	56	42.1 Å²	42.1	38%	0.378	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	11.6	175.6	59.9	0	0	0	0	114	L25 H29 C109	L25-C27 PolarHBondContact O-N 3.04Å; C27-H29 PolarHBondContact O-N 2.69Å; C27-H29 VanDerWaalsContact O-N 3.14Å; C27-H29 PolarHBondContact O-ND1 2.63Å; C27-C109 VanDerWaalsContact SG-CB 3.52Å
28	G	82.7	Confident	85	Confident	53 Å²	53	43.3 Å²	43.3	55%	0.546	26%	0.257	S	S	.	.	S	Bend	trans	82.2	-27	-180	0	0	0	0	0	115.1	L24 L25	L24-G28 WeakPolarHBondContact CD1-O 3.24Å; L25-G28 PolarHBondContact O-N 3.11Å
29	H	87.7	Confident	84.4	Confident	51 Å²	51	43.4 Å²	43.4	24%	0.236	26%	0.255	C	S	.	.			trans	-63.9	160.5	172.5	-62.8	98.6	0	0	0	112.2	L25 C27 I111 C112	L25-H29 WeakPolarHBondContact CB-O 3.37Å; L25-H29 PolarHBondContact N-O 3.49Å; C27-H29 PolarHBondContact O-N 2.69Å; C27-H29 VanDerWaalsContact O-N 3.14Å; C27-H29 PolarHBondContact O-ND1 2.63Å; H29-I111 VanDerWaalsContact CD2-CD1 3.5Å; H29-I111 WeakPolarHBondContact CD2-CD1 3.45Å; H29-C112 VanDerWaalsContact CE1-SG 3.56Å; H29-C112 PolarHBondContact ND1-SG 3.36Å; H29-C112 VanDerWaalsContact ND1-SG 3.42Å
30	S	89.3	Confident	83.4	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	159.4	-179.6	-62.1	0	0	0	0	113	F19 L23 N149	F19-S30 VanDerWaalsContact CE1-C 3.41Å; F19-S30 WeakPolarHBondContact CE1-O 3.35Å; F19-S30 WeakPolarHBondContact CZ-O 3.28Å; L23-S30 CarbonylContact O-C 3.58Å; L23-S30 WeakPolarHBondContact O-CA 3.42Å; L23-S30 WeakPolarHBondContact O-CB 3.46Å; S30-N149 PolarHBondContact OG-ND2 2.95Å
31	V	88.8	Confident	82.3	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137.9	176.1	178	0	0	0	0	109.3	L14 L23 L25 C35 I36	L14-V31 HydrophobicContact CD1-CG1 3.69Å; L14-V31 HydrophobicContact CG-CG1 4.32Å; L23-V31 PolarHBondContact N-O 2.92Å; L23-V31 PolarHBondContact O-N 3Å; L25-V31 HydrophobicContact CD1-CG2 3.83Å; L25-V31 HydrophobicContact CG-CG2 4.38Å; V31-C35 HydrophobicContact CG1-CB 3.92Å; V31-I36 HydrophobicContact CG1-CB 4.31Å
32	C	89.6	Confident	81.3	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	140	176.3	-56.4	0	0	0	0	111.8	C12 Q20 G34 C35 I36	C12-C32 WeakPolarHBondContact CB-SG 3.3Å; C12-C32 VanDerWaalsContact SG-SG 3.68Å; Q20-C32 PolarHBondContact N-SG 3.5Å; Q20-C32 VanDerWaalsContact O-CB 3.27Å; Q20-C32 WeakPolarHBondContact O-CB 3.37Å; C32-G34 VanDerWaalsContact C-N 3.28Å; C32-G34 PolarHBondContact O-N 3.46Å; C32-C35 HydrophobicContact CB-CB 4.02Å; C32-C35 WeakPolarHBondContact O-CA 3.39Å; C32-C35 WeakPolarHBondContact O-CB 3.37Å; C32-C35 PolarHBondContact O-N 3.04Å; C32-I36 PolarHBondContact O-N 3.1Å
33	S	85.5	Confident	79.8	Confident	41 Å²	41	51 Å²	51	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-51	-45.4	176.1	71.7	0	0	0	0	113	T21 C35 I36 S37	T21-S33 PolarHBondContact O-N 3.43Å; T21-S33 WeakPolarHBondContact OG1-CB 3.45Å; T21-S33 PolarHBondContact OG1-OG 3.29Å; S33-C35 VanDerWaalsContact C-N 3.29Å; S33-C35 PolarHBondContact O-N 3.42Å; S33-I36 WeakPolarHBondContact O-CG2 3.46Å; S33-I36 PolarHBondContact O-N 3.44Å; S33-S37 WeakPolarHBondContact O-CB 3.42Å; S33-S37 PolarHBondContact O-N 2.87Å; S33-S37 PolarHBondContact O-OG 2.91Å
34	G	84.4	Confident	78.2	Confident	37 Å²	37	55.5 Å²	55.5	38%	0.381	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-25.4	176.7	0	0	0	0	0	114	C32 K38	C32-G34 VanDerWaalsContact C-N 3.28Å; C32-G34 PolarHBondContact O-N 3.46Å; G34-K38 WeakPolarHBondContact O-CB 3.42Å; G34-K38 WeakPolarHBondContact O-CG 3.26Å; G34-K38 PolarHBondContact O-N 3.19Å; G34-K38 VanDerWaalsContact O-N 3.11Å
35	C	87.1	Confident	76.4	Confident	19 Å²	19	61.1 Å²	61.1	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-77.5	-45.9	175.5	-71	0	0	0	0	111.5	L14 V31 C32 S33 S37 K38 F39	L14-C35 HydrophobicContact CB-CB 4.01Å; L14-C35 HydrophobicContact CD1-CB 4.12Å; V31-C35 HydrophobicContact CG1-CB 3.92Å; C32-C35 HydrophobicContact CB-CB 4.02Å; C32-C35 WeakPolarHBondContact O-CA 3.39Å; C32-C35 WeakPolarHBondContact O-CB 3.37Å; C32-C35 PolarHBondContact O-N 3.04Å; S33-C35 VanDerWaalsContact C-N 3.29Å; S33-C35 PolarHBondContact O-N 3.42Å; C35-S37 VanDerWaalsContact C-N 3.29Å; C35-S37 PolarHBondContact O-N 3.06Å; C35-K38 PolarHBondContact O-N 3.08Å; C35-F39 WeakPolarHBondContact O-CB 3.46Å; C35-F39 PolarHBondContact O-N 3.38Å
36	I	80.3	Confident	74.5	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-35.1	175.3	-174.4	59.4	0	0	0	111.5	L23 V31 C32 S33 F39 R40 L108	L23-I36 HydrophobicContact CD1-CG2 3.75Å; V31-I36 HydrophobicContact CG1-CB 4.31Å; C32-I36 PolarHBondContact O-N 3.1Å; S33-I36 WeakPolarHBondContact O-CG2 3.46Å; S33-I36 PolarHBondContact O-N 3.44Å; I36-F39 HydrophobicContact CD1-CD1 4.15Å; I36-F39 PolarHBondContact O-N 2.91Å; I36-R40 HydrophobicContact CD1-CG 4.39Å; I36-R40 WeakPolarHBondContact O-CB 3.21Å; I36-R40 WeakPolarHBondContact O-CG 3.29Å; I36-R40 PolarHBondContact O-N 3.27Å; I36-L108 HydrophobicContact CD1-CD1 3.78Å; I36-L108 HydrophobicContact CD1-CD2 3.62Å; I36-L108 HydrophobicContact CD1-CG 4.18Å
37	S	78.3	Confident	72.8	Confident	44 Å²	44	64.5 Å²	64.5	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-64	-41	173.9	-61.3	0	0	0	0	112.5	S33 C35 R41	S33-S37 WeakPolarHBondContact O-CB 3.42Å; S33-S37 PolarHBondContact O-N 2.87Å; S33-S37 PolarHBondContact O-OG 2.91Å; C35-S37 VanDerWaalsContact C-N 3.29Å; C35-S37 PolarHBondContact O-N 3.06Å; S37-R41 VanDerWaalsContact O-CG 3.25Å; S37-R41 WeakPolarHBondContact O-CG 3.3Å; S37-R41 PolarHBondContact O-N 3.01Å
38	K	79.6	Confident	70.7	Confident	151 Å²	151	70.3 Å²	70.3	66%	0.657	38%	0.376	S	S	*	.	H	α-helix	trans	-64.6	-45.6	172.3	-77.2	171.4	-178.2	-177.9	0	111.4	G34 C35 R40 R41 T42	G34-K38 WeakPolarHBondContact O-CB 3.42Å; G34-K38 WeakPolarHBondContact O-CG 3.26Å; G34-K38 PolarHBondContact O-N 3.19Å; G34-K38 VanDerWaalsContact O-N 3.11Å; C35-K38 PolarHBondContact O-N 3.08Å; K38-R40 PolarHBondContact O-N 2.94Å; K38-R41 WeakPolarHBondContact O-CB 3.43Å; K38-R41 PolarHBondContact O-N 3.28Å; K38-R41 VanDerWaalsContact O-N 3.14Å; K38-T42 PolarHBondContact O-N 3.48Å; K38-T42 PolarHBondContact O-OG1 2.68Å
39	F	74.3	Confident	68.3	Low	65 Å²	65	74.9 Å²	74.9	29%	0.285	39%	0.386	S	S	.	.	H	α-helix	trans	-60.7	-45.6	-179.6	-172.1	-112.4	0	0	0	112.5	C35 I36 R41 T42 L43 L108	C35-F39 WeakPolarHBondContact O-CB 3.46Å; C35-F39 PolarHBondContact O-N 3.38Å; I36-F39 HydrophobicContact CD1-CD1 4.15Å; I36-F39 PolarHBondContact O-N 2.91Å; F39-R41 PolarHBondContact O-N 3.36Å; F39-T42 WeakPolarHBondContact CA-OG1 3.42Å; F39-T42 PolarHBondContact O-N 3.25Å; F39-T42 PolarHBondContact O-OG1 2.67Å; F39-L43 HydrophobicContact CD1-CD1 3.95Å; F39-L43 HydrophobicContact CE1-CD1 3.71Å; F39-L43 HydrophobicContact CE1-CG 4.44Å; F39-L43 HydrophobicContact CZ-CD1 4.28Å; F39-L43 PolarHBondContact O-N 3.26Å; F39-L108 HydrophobicContact CD1-CD2 4.03Å; F39-L108 HydrophobicContact CE1-CD2 3.85Å
40	R	66.9	Low	65.5	Low	63 Å²	63	78.5 Å²	78.5	24%	0.238	41%	0.412	C	S	.	.	H	α-helix	trans	-59.7	-40.9	172.4	-74.4	177.6	170.9	-177	-5.8	112.4	I36 K38 T42 L43 N44 L141 S142	I36-R40 HydrophobicContact CD1-CG 4.39Å; I36-R40 WeakPolarHBondContact O-CB 3.21Å; I36-R40 WeakPolarHBondContact O-CG 3.29Å; I36-R40 PolarHBondContact O-N 3.27Å; K38-R40 PolarHBondContact O-N 2.94Å; R40-T42 VanDerWaalsContact C-N 3.31Å; R40-T42 PolarHBondContact O-N 2.9Å; R40-L43 PolarHBondContact O-N 2.98Å; R40-N44 WeakPolarHBondContact O-CB 3.31Å; R40-N44 PolarHBondContact O-N 3.45Å; R40-N44 PolarHBondContact O-OD1 3.05Å; R40-L141 PolarHBondContact NH1-O 2.77Å; R40-L141 PolarHBondContact NH2-O 3.35Å; R40-S142 PolarHBondContact NH1-O 3.49Å; R40-S142 PolarHBondContact NH2-O 2.99Å
41	R	64.7	Low	62.5	Low	177 Å²	177	83.2 Å²	83.2	67%	0.668	45%	0.445	S	S	*	.	H	α-helix	trans	-65.9	-29.1	176.2	-71.1	171.6	-166.1	176.8	5.1	113.5	S37 K38 F39 K45	S37-R41 VanDerWaalsContact O-CG 3.25Å; S37-R41 WeakPolarHBondContact O-CG 3.3Å; S37-R41 PolarHBondContact O-N 3.01Å; K38-R41 WeakPolarHBondContact O-CB 3.43Å; K38-R41 PolarHBondContact O-N 3.28Å; K38-R41 VanDerWaalsContact O-N 3.14Å; F39-R41 PolarHBondContact O-N 3.36Å; R41-K45 WeakPolarHBondContact O-CG 3.37Å; R41-K45 PolarHBondContact O-N 3.05Å
42	T	64.4	Low	59.7	Low	86 Å²	86	90.4 Å²	90.4	53%	0.528	48%	0.483	S	S	.	.	H	α-helix	trans	-73.5	-45.4	171	28.6	0	0	0	0	112.1	K38 F39 R40 N44 K45 S46	K38-T42 PolarHBondContact O-N 3.48Å; K38-T42 PolarHBondContact O-OG1 2.68Å; F39-T42 WeakPolarHBondContact CA-OG1 3.42Å; F39-T42 PolarHBondContact O-N 3.25Å; F39-T42 PolarHBondContact O-OG1 2.67Å; R40-T42 VanDerWaalsContact C-N 3.31Å; R40-T42 PolarHBondContact O-N 2.9Å; T42-N44 VanDerWaalsContact C-N 3.31Å; T42-N44 PolarHBondContact O-N 3.47Å; T42-K45 PolarHBondContact O-N 3.47Å; T42-S46 PolarHBondContact O-N 3.12Å; T42-S46 VanDerWaalsContact O-N 3.11Å; T42-S46 PolarHBondContact O-OG 3.14Å
43	L	59.2	Low	56.9	Low	53 Å²	53	98.6 Å²	98.6	28%	0.277	52%	0.521	S	S	.	.	H	α-helix	trans	-57.2	-44.1	176.3	-70.7	169.7	0	0	0	111.8	F39 R40 K45 S46 S47	F39-L43 HydrophobicContact CD1-CD1 3.95Å; F39-L43 HydrophobicContact CE1-CD1 3.71Å; F39-L43 HydrophobicContact CE1-CG 4.44Å; F39-L43 HydrophobicContact CZ-CD1 4.28Å; F39-L43 PolarHBondContact O-N 3.26Å; R40-L43 PolarHBondContact O-N 2.98Å; L43-K45 PolarHBondContact O-N 3.35Å; L43-S46 WeakPolarHBondContact CA-OG 3.45Å; L43-S46 PolarHBondContact O-N 2.89Å; L43-S46 PolarHBondContact O-OG 2.81Å; L43-S47 PolarHBondContact O-N 3.13Å; L43-S47 PolarHBondContact O-OG 3.32Å
44	N	52.5	Low	54	Low	111 Å²	111	102.9 Å²	102.9	59%	0.594	55%	0.546	S	S	*	.	H	α-helix	trans	-73	-8.3	177.8	-67.7	20.5	0	0	0	114.1	R40 T42 S47	R40-N44 WeakPolarHBondContact O-CB 3.31Å; R40-N44 PolarHBondContact O-N 3.45Å; R40-N44 PolarHBondContact O-OD1 3.05Å; T42-N44 VanDerWaalsContact C-N 3.31Å; T42-N44 PolarHBondContact O-N 3.47Å; N44-S47 PolarHBondContact O-OG 2.76Å
45	K	48.8	Very low	51.4	Low	160 Å²	160	109.8 Å²	109.8	70%	0.696	57%	0.568	S	S	*	*	H	α-helix	trans	-93	-33.8	170.9	-84.8	-169.4	170.4	-165	0	112.4	R41 T42 L43 S47 F48	R41-K45 WeakPolarHBondContact O-CG 3.37Å; R41-K45 PolarHBondContact O-N 3.05Å; T42-K45 PolarHBondContact O-N 3.47Å; L43-K45 PolarHBondContact O-N 3.35Å; K45-S47 PolarHBondContact O-N 2.98Å; K45-F48 PolarHBondContact O-N 3.11Å
46	S	44.3	Very low	48.5	Very low	82 Å²	82	119.3 Å²	119.3	57%	0.573	60%	0.602	S	S	*	*	H	α-helix	trans	-64.2	-21.2	172.9	32.5	0	0	0	0	113.7	T42 L43	T42-S46 PolarHBondContact O-N 3.12Å; T42-S46 VanDerWaalsContact O-N 3.11Å; T42-S46 PolarHBondContact O-OG 3.14Å; L43-S46 WeakPolarHBondContact CA-OG 3.45Å; L43-S46 PolarHBondContact O-N 2.89Å; L43-S46 PolarHBondContact O-OG 2.81Å
47	S	39.7	Very low	46.1	Very low	76 Å²	76	124.1 Å²	124.1	53%	0.531	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	3.6	178.8	48.8	0	0	0	0	115.4	L43 N44 K45	L43-S47 PolarHBondContact O-N 3.13Å; L43-S47 PolarHBondContact O-OG 3.32Å; N44-S47 PolarHBondContact O-OG 2.76Å; K45-S47 PolarHBondContact O-N 2.98Å
48	F	37.2	Very low	43.6	Very low	179 Å²	179	126.7 Å²	126.7	79%	0.785	66%	0.658	S	S	*	*	S	Bend	trans	-119.6	9.8	-179.1	-94.1	-82.9	0	0	0	114.9	K45	K45-F48 PolarHBondContact O-N 3.11Å
49	I	32.4	Very low	41.2	Very low	148 Å²	148	126.4 Å²	126.4	76%	0.759	66%	0.662	S	S	*	*	S	Bend	trans	-134.1	58.6	175.7	-44.1	179.3	0	0	0	111
50	T	28.8	Very low	39	Very low	128 Å²	128	131.8 Å²	131.8	79%	0.785	69%	0.688	S	S	*	*			trans	-146.9	69.9	164.3	51	0	0	0	0	111.3
51	S	26.5	Very low	36.9	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	71%	0.713	S	S	*	*			trans	-140.9	126.1	159.6	52.2	0	0	0	0	110.5
52	N	29.4	Very low	35.1	Very low	156 Å²	156	133.3 Å²	133.3	83%	0.834	72%	0.719	S	S	*	*	S	Bend	trans	75.1	136.8	176.1	-57.9	-22	0	0	0	119.3
53	Q	30.4	Very low	33.4	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	73%	0.729	S	S	*	*			trans	73.6	74.1	155.1	-67.7	173.5	3.2	0	0	120.1
54	T	24.8	Very low	31.8	Very low	132 Å²	132	137 Å²	137	81%	0.81	75%	0.753	S	S	*	*				12.2	109	120.3	54.7	0	0	0	0	118.7
55	H	29.6	Very low	30.7	Very low	182 Å²	182	140.2 Å²	140.2	84%	0.843	77%	0.768	S	S	*	*			trans	-161.6	131.7	131.2	-124.5	-78.4	0	0	0	111.9
56	Y	27	Very low	29.6	Very low	218 Å²	218	135.8 Å²	135.8	86%	0.855	77%	0.768	S	S	*	*			trans	-89.3	152.2	151.6	-85.2	-84.7	0	0	0	108
57	P	29.2	Very low	29	Very low	112 Å²	112	140 Å²	140	73%	0.727	78%	0.783	S	S	*	*				-138.2	160.5	105.3	37.5	-26.9	0	0	0	113.5
58	A	25.1	Very low	28.3	Very low	98 Å²	98	144.9 Å²	144.9	81%	0.81	80%	0.797	S	S	*	*			trans	-90.5	147.2	170.9	0	0	0	0	0	111.1
59	I	29.6	Very low	28	Very low	145 Å²	145	144.4 Å²	144.4	74%	0.744	80%	0.803	S	S	*	*			trans	-131	105.7	168.6	-64.7	-175.8	0	0	0	110
60	Q	28.4	Very low	27.8	Very low	178 Å²	178	141.5 Å²	141.5	83%	0.832	80%	0.8	S	S	*	*			trans	42.9	114.5	138	-60.9	170.2	-18.3	0	0	119.9
61	T	23	Very low	27.7	Very low	124 Å²	124	143.1 Å²	143.1	76%	0.761	80%	0.803	S	S	*	*			trans	-64.7	138.2	139.2	49.2	0	0	0	0	110.6
62	N	27	Very low	27.7	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	80%	0.803	S	S	*	*			trans	-179.5	138.4	136.6	-99.9	-8.3	0	0	0	113.6
63	S	27.7	Very low	27.8	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	81%	0.808	S	S	*	*			trans	58.4	148.6	147.6	62.9	0	0	0	0	121.1
64	S	26.1	Very low	27.8	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	80%	0.804	S	S	*	*			cis	-168.8	141.8	-20.1	-91.9	0	0	0	0	108.1
65	I	30.2	Very low	27.8	Very low	178 Å²	178	142.2 Å²	142.2	91%	0.913	81%	0.805	S	S	*	*			trans	-166.3	136.4	140.1	-104	155.5	0	0	0	106.4
66	G	24.5	Very low	27.9	Very low	68 Å²	68	139.6 Å²	139.6	70%	0.701	81%	0.807	S	S	*	*			trans	-136.4	161.9	172.8	0	0	0	0	0	109.6
67	I	32.5	Very low	27.9	Very low	170 Å²	170	132.6 Å²	132.6	87%	0.872	80%	0.801	S	S	*	*			trans	-144.5	140	161.6	-93.8	154	0	0	0	104.5
68	E	26.1	Very low	28	Very low	179 Å²	179	133.4 Å²	133.4	84%	0.836	80%	0.804	S	S	*	*			trans	-91.9	-165.7	-179	-63.4	-174	113.6	0	0	111.4
69	D	29.9	Very low	28.2	Very low	169 Å²	169	135.1 Å²	135.1	90%	0.904	80%	0.804	S	S	*	*			trans	83	144.5	168.4	-65.4	-35.6	0	0	0	119.2
70	A	27.1	Very low	28.3	Very low	86 Å²	86	133.6 Å²	133.6	71%	0.711	80%	0.801	S	S	*	*			trans	-99.4	173.5	-172.1	0	0	0	0	0	111.6
71	I	27.1	Very low	28.1	Very low	163 Å²	163	130.3 Å²	130.3	84%	0.836	80%	0.796	S	S	*	*				179.1	134.1	121.4	-90.2	152	0	0	0	109.4
72	S	27.8	Very low	28.3	Very low	106 Å²	106	128.8 Å²	128.8	74%	0.741	79%	0.791	S	S	*	*			trans	12.4	121.6	155.7	-176.9	0	0	0	0	119.9
73	E	30	Very low	28.4	Very low	202 Å²	202	130 Å²	130	94%	0.944	80%	0.796	S	S	*	*			trans	-119.4	139.3	145	-76.1	-161.7	140.2	0	0	110.7
74	A	30.5	Very low	28.4	Very low	90 Å²	90	133.4 Å²	133.4	74%	0.744	80%	0.801	S	S	*	*			trans	-125.1	135.9	170.3	0	0	0	0	0	109
75	D	26.1	Very low	28.8	Very low	154 Å²	154	133.1 Å²	133.1	82%	0.824	80%	0.799	S	S	*	*			trans	41.7	90.6	163.5	-161.3	20.2	0	0	0	119
76	S	31	Very low	28.7	Very low	127 Å²	127	131.8 Å²	131.8	89%	0.888	79%	0.793	S	S	*	*			trans	-153.5	120.6	142.3	-86.7	0	0	0	0	110.8
77	G	27	Very low	29.2	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	80%	0.796	S	S	*	*			trans	-93.2	146.2	-168.5	0	0	0	0	0	115.8
78	V	31.9	Very low	28.8	Very low	129 Å²	129	134.8 Å²	134.8	78%	0.782	80%	0.795	S	S	*	*			trans	-140	117.1	150.6	153.9	0	0	0	0	107.7	V80	V78-V80 HydrophobicContact CG1-CG2 3.82Å; V78-V80 PolarHBondContact O-N 2.86Å
79	V	29.4	Very low	29	Very low	134 Å²	134	131.5 Å²	131.5	81%	0.812	79%	0.791	S	S	*	*			trans	-88	96.1	179.1	-178.1	0	0	0	0	110
80	V	30.2	Very low	28.9	Very low	112 Å²	112	132.2 Å²	132.2	68%	0.679	79%	0.789	S	S	*	*			trans	-103.7	105.2	165.3	174.1	0	0	0	0	108.7	V78 S82	V78-V80 HydrophobicContact CG1-CG2 3.82Å; V78-V80 PolarHBondContact O-N 2.86Å; V80-S82 PolarHBondContact O-N 3.03Å
81	C	24.8	Very low	28.8	Very low	109 Å²	109	136.7 Å²	136.7	74%	0.736	80%	0.8	S	S	*	*			trans	-75.2	89.9	178.8	-59.8	0	0	0	0	111.7
82	S	27.7	Very low	28.9	Very low	93 Å²	93	134 Å²	134	65%	0.65	79%	0.791	S	S	*	*			trans	-92.2	123.8	160	-69.7	0	0	0	0	109.5	V80 E84	V80-S82 PolarHBondContact O-N 3.03Å; S82-E84 PolarHBondContact O-N 3.49Å
83	L	28.3	Very low	28.7	Very low	173 Å²	173	134.5 Å²	134.5	91%	0.906	80%	0.795	S	S	*	*			trans	-80.5	103.8	169	-94.2	67.4	0	0	0	108.8
84	E	28.6	Very low	28.7	Very low	177 Å²	177	135.2 Å²	135.2	83%	0.827	79%	0.79	S	S	*	*			trans	-112.1	112.6	160.9	-65.1	-164.6	163.7	0	0	108.5	S82	S82-E84 PolarHBondContact O-N 3.49Å
85	S	34.5	Very low	28.5	Very low	105 Å²	105	135.8 Å²	135.8	73%	0.734	79%	0.789	S	S	*	*			trans	-92.1	101.2	-175.2	56.5	0	0	0	0	110.3	N87	S85-N87 PolarHBondContact O-N 3.26Å
86	N	28.7	Very low	28.6	Very low	150 Å²	150	134.2 Å²	134.2	80%	0.802	79%	0.787	S	S	*	*			trans	-63.3	115.9	166.9	-75.9	-6.2	0	0	0	109.5
87	N	33.8	Very low	28.6	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	78%	0.783	S	S	*	*			trans	-137.2	83.5	165.8	-103.4	-26	0	0	0	106.7	S85 C89	S85-N87 PolarHBondContact O-N 3.26Å; N87-C89 PolarHBondContact O-N 2.94Å; N87-C89 VanDerWaalsContact O-N 3.12Å
88	D	25.1	Very low	28.6	Very low	162 Å²	162	141 Å²	141	87%	0.866	79%	0.791	S	S	*	*			trans	-63.6	110.7	169.2	-80.6	-59	0	0	0	109.3
89	C	29.6	Very low	28.6	Very low	109 Å²	109	141.2 Å²	141.2	74%	0.736	79%	0.786	S	S	*	*			trans	-133.2	121.3	171.8	-83.5	0	0	0	0	108.3	N87	N87-C89 PolarHBondContact O-N 2.94Å; N87-C89 VanDerWaalsContact O-N 3.12Å
90	Q	28.5	Very low	28.5	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	79%	0.789	S	S	*	*			trans	-64.4	133.2	-166.1	-63.6	164.9	-8	0	0	112.3	T92	Q90-T92 PolarHBondContact O-N 3.42Å; Q90-T92 VanDerWaalsContact O-N 3.1Å
91	L	25.2	Very low	28.6	Very low	179 Å²	179	146 Å²	146	94%	0.937	79%	0.79	S	S	*	*			trans	-73.4	99.6	171.2	-79.8	82.9	0	0	0	110.4
92	T	27.5	Very low	29.1	Very low	108 Å²	108	147.2 Å²	147.2	66%	0.663	79%	0.794	S	S	*	*			trans	-87.9	118.5	160.3	53.3	0	0	0	0	109.8	Q90	Q90-T92 PolarHBondContact O-N 3.42Å; Q90-T92 VanDerWaalsContact O-N 3.1Å
93	S	24.9	Very low	29.9	Very low	116 Å²	116	148.5 Å²	148.5	81%	0.811	79%	0.789	S	S	*	*			trans	-71.7	126.2	-177.5	55.8	0	0	0	0	112.3
94	Y	29	Very low	31	Very low	216 Å²	216	142.8 Å²	142.8	85%	0.847	76%	0.764	S	S	*	*			trans	-126.5	147.2	167.7	-85.2	-82.1	0	0	0	112.5
95	S	26.2	Very low	32.3	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	74%	0.737	S	S	*	*			trans	-74.2	144.3	-165.7	-173.2	0	0	0	0	113.7	Q97	S95-Q97 PolarHBondContact O-N 3.21Å
96	P	29.6	Very low	33.2	Very low	122 Å²	122	137.1 Å²	137.1	79%	0.792	73%	0.729	S	S	*	*			trans	-74.5	95.1	176.4	31.1	-35.1	0	0	0	111.6
97	Q	31.1	Very low	34.7	Very low	172 Å²	172	133.1 Å²	133.1	80%	0.804	71%	0.705	S	S	*	*			trans	-80.3	130.2	165.5	-72.5	-167.4	-16.7	0	0	111	S95 I99	S95-Q97 PolarHBondContact O-N 3.21Å; Q97-I99 PolarHBondContact O-N 3.46Å
98	N	25.9	Very low	36.2	Very low	169 Å²	169	127.8 Å²	127.8	90%	0.904	68%	0.677	S	S	*	*			trans	-63.7	114.7	177.8	-77.1	-39.1	0	0	0	111.1
99	I	31.8	Very low	38.6	Very low	132 Å²	132	120.1 Å²	120.1	68%	0.677	64%	0.636	S	S	*	*			trans	-126.2	126	165.8	-64.1	175	0	0	0	106.9	Q97 R101	Q97-I99 PolarHBondContact O-N 3.46Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 2.92Å
100	N	27	Very low	40.6	Very low	162 Å²	162	122.9 Å²	122.9	87%	0.866	63%	0.631	S	S	*	*			trans	-66.3	86.9	175.2	-72.5	-22.5	0	0	0	110	T102	N100-T102 PolarHBondContact O-N 3.09Å
101	R	33.6	Very low	42.8	Very low	185 Å²	185	117.7 Å²	117.7	70%	0.698	61%	0.608	S	S	*	*			trans	-72.8	96.1	177.1	-70.3	-168.8	-177.4	-168.5	4.4	110.3	I99 H103	I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 2.92Å; R101-H103 PolarHBondContact O-N 2.85Å; R101-H103 VanDerWaalsContact O-N 3.15Å
102	T	34.1	Very low	45	Very low	134 Å²	134	111.3 Å²	111.3	82%	0.822	58%	0.578	S	S	*	*			trans	-62.5	109.8	157	43	0	0	0	0	108.2	N100 S104	N100-T102 PolarHBondContact O-N 3.09Å; T102-S104 PolarHBondContact O-N 3.32Å
103	H	45.1	Very low	46.7	Very low	120 Å²	120	108.7 Å²	108.7	56%	0.556	56%	0.564	S	S	*	*			trans	-63	105	-176.1	-75.9	-70.9	0	0	0	111.2	R101 E107	R101-H103 PolarHBondContact O-N 2.85Å; R101-H103 VanDerWaalsContact O-N 3.15Å; H103-E107 IonicContact CE1-OE2 3.6Å; H103-E107 IonicContact CG-OE2 3.96Å; H103-E107 IonicContact ND1-OE2 2.7Å; H103-E107 PolarHBondContact ND1-OE2 3.23Å
104	S	52.3	Low	48.2	Very low	53 Å²	53	108.9 Å²	108.9	37%	0.371	56%	0.561	S	S	.	*			trans	-60.7	142.6	174.9	171.1	0	0	0	0	110.8	T102 Q106 E107	T102-S104 PolarHBondContact O-N 3.32Å; S104-Q106 PolarHBondContact O-N 2.94Å; S104-Q106 PolarHBondContact OG-N 3.37Å; S104-Q106 PolarHBondContact OG-OE1 2.81Å; S104-Q106 VanDerWaalsContact OG-OE1 3.05Å; S104-E107 PolarHBondContact O-N 2.9Å
105	V	54.2	Low	49.2	Very low	45 Å²	45	103.6 Å²	103.6	27%	0.273	55%	0.551	S	S	.	*	G	3₁₀ helix	trans	-52.3	-21.9	172.8	-179.2	0	0	0	0	112.4	P26 L108 L146	P26-V105 HydrophobicContact CG-CG1 3.9Å; V105-L108 HydrophobicContact CG1-CD1 4.17Å; V105-L108 WeakPolarHBondContact O-CB 3.37Å; V105-L108 WeakPolarHBondContact O-CG 3.3Å; V105-L108 PolarHBondContact O-N 3.43Å; V105-L146 HydrophobicContact CG1-CD2 3.83Å
106	Q	54.6	Low	49.9	Very low	118 Å²	118	106 Å²	106	55%	0.551	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-71.6	-23.5	176.7	-68.2	157	-31.7	0	0	114.2	S104 L108	S104-Q106 PolarHBondContact O-N 2.94Å; S104-Q106 PolarHBondContact OG-N 3.37Å; S104-Q106 PolarHBondContact OG-OE1 2.81Å; S104-Q106 VanDerWaalsContact OG-OE1 3.05Å; Q106-L108 PolarHBondContact O-N 2.73Å
107	E	58.9	Low	50.3	Low	67 Å²	67	107.9 Å²	107.9	31%	0.313	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-72.6	-8.2	176.3	-62	-168.1	146.9	0	0	112.9	H103 S104 C109	H103-E107 IonicContact CE1-OE2 3.6Å; H103-E107 IonicContact CG-OE2 3.96Å; H103-E107 IonicContact ND1-OE2 2.7Å; H103-E107 PolarHBondContact ND1-OE2 3.23Å; S104-E107 PolarHBondContact O-N 2.9Å; E107-C109 VanDerWaalsContact C-N 3.29Å; E107-C109 PolarHBondContact O-N 2.97Å
108	L	65.6	Low	50.3	Low	28 Å²	28	107.2 Å²	107.2	15%	0.147	55%	0.55	C	S	.	.	G	3₁₀ helix	trans	-76.7	-12.2	179.8	-54.9	-178.8	0	0	0	113.7	L25 I36 F39 V105 Q106 L146	L25-L108 HydrophobicContact CD1-CB 4.12Å; L25-L108 HydrophobicContact CD2-CB 4.07Å; L25-L108 HydrophobicContact CD2-CD1 4.26Å; I36-L108 HydrophobicContact CD1-CD1 3.78Å; I36-L108 HydrophobicContact CD1-CD2 3.62Å; I36-L108 HydrophobicContact CD1-CG 4.18Å; F39-L108 HydrophobicContact CD1-CD2 4.03Å; F39-L108 HydrophobicContact CE1-CD2 3.85Å; V105-L108 HydrophobicContact CG1-CD1 4.17Å; V105-L108 WeakPolarHBondContact O-CB 3.37Å; V105-L108 WeakPolarHBondContact O-CG 3.3Å; V105-L108 PolarHBondContact O-N 3.43Å; Q106-L108 PolarHBondContact O-N 2.73Å; L108-L146 HydrophobicContact CD1-CD1 4.37Å
109	C	75.3	Confident	50.7	Low	1 Å²	1	104.2 Å²	104.2	1%	0.007	54%	0.542	C	S	.	.			trans	-101.7	93.7	-178.8	-171.4	0	0	0	0	112.5	L25 C27 E107 I111 C112 S113	L25-C109 HydrophobicContact CD1-CB 3.66Å; C27-C109 VanDerWaalsContact SG-CB 3.52Å; E107-C109 VanDerWaalsContact C-N 3.29Å; E107-C109 PolarHBondContact O-N 2.97Å; C109-I111 PolarHBondContact O-N 3.17Å; C109-I111 VanDerWaalsContact O-N 3.08Å; C109-C112 HydrophobicContact CB-CB 4.22Å; C109-C112 PolarHBondContact O-N 3.47Å; C109-C112 VanDerWaalsContact O-N 3.08Å; C109-C112 VanDerWaalsContact SG-SG 3.65Å; C109-S113 PolarHBondContact O-N 3.39Å; C109-S113 PolarHBondContact O-OG 2.91Å
110	R	72.5	Confident	50.7	Low	166 Å²	166	105.5 Å²	105.5	63%	0.626	55%	0.55	S	S	*	*	H	α-helix	trans	-54.1	-29.4	174.9	-81.2	-165.4	174.1	-125	-1.5	114.1	L14	L14-R110 HydrophobicContact CD2-CG 4.14Å
111	I	74	Confident	50.8	Low	77 Å²	77	103.2 Å²	103.2	40%	0.395	55%	0.547	S	S	.	.	H	α-helix	trans	-70.4	-37.7	-179.7	-55.8	167.7	0	0	0	111.3	P13 H29 C109 T114	P13-I111 HydrophobicContact CB-CD1 4.13Å; P13-I111 HydrophobicContact CB-CG1 4.06Å; P13-I111 HydrophobicContact CG-CD1 3.98Å; P13-I111 HydrophobicContact CG-CG1 4.22Å; H29-I111 VanDerWaalsContact CD2-CD1 3.5Å; H29-I111 WeakPolarHBondContact CD2-CD1 3.45Å; C109-I111 PolarHBondContact O-N 3.17Å; C109-I111 VanDerWaalsContact O-N 3.08Å; I111-T114 PolarHBondContact O-OG1 2.89Å
112	C	71.4	Confident	50.8	Low	44 Å²	44	104.5 Å²	104.5	30%	0.297	56%	0.558	S	S	.	*	H	α-helix	trans	-88.3	-21.1	177	-60.4	0	0	0	0	113.2	H29 C109 T115	H29-C112 VanDerWaalsContact CE1-SG 3.56Å; H29-C112 PolarHBondContact ND1-SG 3.36Å; H29-C112 VanDerWaalsContact ND1-SG 3.42Å; C109-C112 HydrophobicContact CB-CB 4.22Å; C109-C112 PolarHBondContact O-N 3.47Å; C109-C112 VanDerWaalsContact O-N 3.08Å; C109-C112 VanDerWaalsContact SG-SG 3.65Å; C112-T115 PolarHBondContact O-OG1 2.97Å; C112-T115 VanDerWaalsContact O-OG1 3.11Å
113	S	64.5	Low	50.5	Low	54 Å²	54	107.8 Å²	107.8	38%	0.378	56%	0.561	S	S	.	*	H	α-helix	trans	-73.3	-27.1	-179.8	-60.9	0	0	0	0	113.6	C109	C109-S113 PolarHBondContact O-N 3.39Å; C109-S113 PolarHBondContact O-OG 2.91Å
114	T	55.7	Low	49.7	Very low	120 Å²	120	111.3 Å²	111.3	74%	0.736	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-24.5	176.8	48.1	0	0	0	0	113.5	I111	I111-T114 PolarHBondContact O-OG1 2.89Å
115	T	50.1	Low	48.4	Very low	105 Å²	105	115 Å²	115	64%	0.644	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	5	-178.5	48	0	0	0	0	114	C112 N117	C112-T115 PolarHBondContact O-OG1 2.97Å; C112-T115 VanDerWaalsContact O-OG1 3.11Å; T115-N117 VanDerWaalsContact C-N 3.3Å; T115-N117 PolarHBondContact O-N 2.9Å
116	R	41.2	Very low	47.4	Very low	153 Å²	153	120 Å²	120	58%	0.577	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	55.1	-165.5	-156.7	-177.9	-174.4	179.5	2.7	114.7
117	N	37.2	Very low	46.3	Very low	160 Å²	160	123.5 Å²	123.5	86%	0.856	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.8	8.6	170.2	-112.6	8.5	0	0	0	114.5	T115	T115-N117 VanDerWaalsContact C-N 3.3Å; T115-N117 PolarHBondContact O-N 2.9Å
118	N	32	Very low	45.1	Very low	159 Å²	159	126.4 Å²	126.4	85%	0.85	65%	0.648	S	S	*	*			trans	-144	117.2	166.9	-101.1	-47.4	0	0	0	109.9
119	S	34.4	Very low	43.5	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	68%	0.679	S	S	*	*			trans	-143.5	63.2	-179.2	69.6	0	0	0	0	113.5
120	N	30.9	Very low	41.3	Very low	160 Å²	160	136.3 Å²	136.3	86%	0.856	71%	0.714	S	S	*	*			trans	-114	146.1	152.2	-92.4	-35	0	0	0	108.4
121	S	29.9	Very low	39.3	Very low	114 Å²	114	132.8 Å²	132.8	80%	0.797	71%	0.707	S	S	*	*	S	Bend	trans	77.6	51.1	179.4	-55.3	0	0	0	0	118.9
122	F	32.4	Very low	37.2	Very low	211 Å²	211	135.4 Å²	135.4	93%	0.925	72%	0.722	S	S	*	*			trans	-135.5	66.6	148.9	-102.8	-77.8	0	0	0	111.7
123	K	29	Very low	35.1	Very low	204 Å²	204	139.7 Å²	139.7	89%	0.887	74%	0.741	S	S	*	*			trans	-126.8	75.5	170.6	-82.3	-168.7	176.4	-179.1	0	111.4
124	K	27.6	Very low	33.4	Very low	193 Å²	193	145.3 Å²	145.3	84%	0.839	76%	0.761	S	S	*	*	S	Bend	trans	-171.3	155.1	154.3	-104.6	150.7	-173.2	178.6	0	110.2
125	T	26.3	Very low	32.1	Very low	130 Å²	130	146.8 Å²	146.8	80%	0.798	76%	0.764	S	S	*	*	S	Bend	trans	48.6	75.3	169.8	57.5	0	0	0	0	117.1
126	N	33.2	Very low	31.1	Very low	150 Å²	150	145.6 Å²	145.6	80%	0.802	77%	0.773	S	S	*	*			trans	-164.5	94.8	141.6	-101.9	-20.5	0	0	0	109.7	F128	N126-F128 VanDerWaalsContact C-N 3.33Å; N126-F128 PolarHBondContact O-N 3.4Å; N126-F128 VanDerWaalsContact O-N 3.1Å
127	H	31.5	Very low	30.5	Very low	192 Å²	192	145.1 Å²	145.1	89%	0.889	78%	0.782	S	S	*	*			trans	-82.6	77.8	173.7	-86.5	-69.6	0	0	0	110.7
128	F	32.1	Very low	30.1	Very low	128 Å²	128	145.9 Å²	145.9	56%	0.561	79%	0.786	S	S	*	*			trans	-84.3	147.3	146.2	-92	-89.6	0	0	0	108.6	L24 N126 S130 P147	L24-F128 HydrophobicContact CD2-CZ 4.42Å; N126-F128 VanDerWaalsContact C-N 3.33Å; N126-F128 PolarHBondContact O-N 3.4Å; N126-F128 VanDerWaalsContact O-N 3.1Å; F128-S130 PolarHBondContact O-N 2.73Å; F128-P147 HydrophobicContact CE1-CG 4.3Å
129	T	31.5	Very low	29.9	Very low	130 Å²	130	146.7 Å²	146.7	80%	0.798	79%	0.785	S	S	*	*			trans	-64.7	112.9	-176.5	28.6	0	0	0	0	111.5	I131	T129-I131 PolarHBondContact O-N 2.97Å; T129-I131 VanDerWaalsContact O-N 3.11Å
130	S	30.1	Very low	29.8	Very low	107 Å²	107	147.5 Å²	147.5	75%	0.748	79%	0.785	S	S	*	*			trans	-64.4	107.3	165.8	-61	0	0	0	0	109.2	F128 N132	F128-S130 PolarHBondContact O-N 2.73Å; S130-N132 PolarHBondContact O-N 3.42Å; S130-N132 VanDerWaalsContact O-N 3.14Å
131	I	30.9	Very low	30.1	Very low	92 Å²	92	143.4 Å²	143.4	47%	0.472	76%	0.763	S	S	.	*			trans	-77.4	97.9	170	-60.9	176.9	0	0	0	107.4	T129 L133 I145	T129-I131 PolarHBondContact O-N 2.97Å; T129-I131 VanDerWaalsContact O-N 3.11Å; I131-L133 HydrophobicContact CG2-CD1 3.81Å; I131-L133 PolarHBondContact O-N 3.25Å; I131-I145 HydrophobicContact CD1-CB 4.32Å; I131-I145 HydrophobicContact CD1-CD1 4.11Å; I131-I145 HydrophobicContact CD1-CG1 3.98Å; I131-I145 HydrophobicContact CD1-CG2 3.49Å; I131-I145 VanDerWaalsContact CD1-CG2 3.49Å
132	N	28.5	Very low	30.6	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	74%	0.742	S	S	*	*			trans	-73.6	102.1	170.9	-71.6	-1.8	0	0	0	108.8	S130 E134	S130-N132 PolarHBondContact O-N 3.42Å; S130-N132 VanDerWaalsContact O-N 3.14Å; N132-E134 PolarHBondContact O-N 3.44Å
133	L	29.2	Very low	31.2	Very low	133 Å²	133	133.5 Å²	133.5	70%	0.696	72%	0.72	S	S	*	*			trans	-81	59.5	171.7	-129	80.7	0	0	0	110.7	I131	I131-L133 HydrophobicContact CG2-CD1 3.81Å; I131-L133 PolarHBondContact O-N 3.25Å
134	E	27.8	Very low	32.2	Very low	173 Å²	173	130 Å²	130	81%	0.808	71%	0.711	S	S	*	*			trans	-101.8	66.8	171	-72.1	-166.6	164.2	0	0	110.7	N132	N132-E134 PolarHBondContact O-N 3.44Å
135	N	29.4	Very low	33.8	Very low	150 Å²	150	124.4 Å²	124.4	80%	0.802	69%	0.69	S	S	*	*	S	Bend	trans	-155.3	127.1	152.7	-104.1	-41.2	0	0	0	109.2	N137	N135-N137 PolarHBondContact O-N 2.91Å
136	G	28.7	Very low	35.9	Very low	80 Å²	80	119.2 Å²	119.2	83%	0.825	66%	0.657	S	S	*	*			trans	-79.5	83.6	-174.6	0	0	0	0	0	112.9
137	N	27.9	Very low	37.9	Very low	143 Å²	143	115 Å²	115	77%	0.765	64%	0.637	S	S	*	*			trans	-139.5	142.2	164.3	-87.2	-44.3	0	0	0	110.2	N135 E139	N135-N137 PolarHBondContact O-N 2.91Å; N137-E139 PolarHBondContact O-N 3.49Å
138	N	28.2	Very low	40.3	Very low	177 Å²	177	109.2 Å²	109.2	95%	0.947	61%	0.611	S	S	*	*			trans	-81.2	55.5	-173.3	-74.8	-39.4	0	0	0	113
139	E	29	Very low	42.8	Very low	176 Å²	176	104.4 Å²	104.4	82%	0.822	59%	0.591	S	S	*	*			trans	-86	136.7	170.7	-63.9	-156.4	145.7	0	0	111.3	N137 L141	N137-E139 PolarHBondContact O-N 3.49Å; E139-L141 PolarHBondContact O-N 3.49Å
140	T	32.5	Very low	45.3	Very low	121 Å²	121	102.8 Å²	102.8	74%	0.742	58%	0.576	S	S	*	*			trans	-69.9	122.7	-174	50.1	0	0	0	0	111	S142	T140-S142 VanDerWaalsContact C-N 3.32Å; T140-S142 PolarHBondContact O-N 2.92Å; T140-S142 PolarHBondContact O-OG 2.85Å
141	L	37.7	Very low	47.8	Very low	75 Å²	75	101 Å²	101	39%	0.393	57%	0.568	S	S	.	*			trans	-63.5	88.9	171.5	-168.9	81.8	0	0	0	110.3	R40 E139 I145	R40-L141 PolarHBondContact NH1-O 2.77Å; R40-L141 PolarHBondContact NH2-O 3.35Å; E139-L141 PolarHBondContact O-N 3.49Å; L141-I145 HydrophobicContact CD1-CD1 3.45Å; L141-I145 VanDerWaalsContact CD1-CD1 3.45Å; L141-I145 HydrophobicContact CG-CD1 4.13Å
142	S	38.5	Very low	50.4	Low	51 Å²	51	97.5 Å²	97.5	36%	0.357	55%	0.55	S	S	.	*			trans	-62.8	177.2	-172.7	-64.6	0	0	0	0	113.9	R40 T140 D144	R40-S142 PolarHBondContact NH1-O 3.49Å; R40-S142 PolarHBondContact NH2-O 2.99Å; T140-S142 VanDerWaalsContact C-N 3.32Å; T140-S142 PolarHBondContact O-N 2.92Å; T140-S142 PolarHBondContact O-OG 2.85Å; S142-D144 WeakPolarHBondContact CB-OD2 3.3Å; S142-D144 PolarHBondContact O-N 2.74Å
143	S	45.2	Very low	53.2	Low	66 Å²	66	94.5 Å²	94.5	46%	0.462	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-61.2	-24.2	172.4	27.1	0	0	0	0	112.9	I145 L146	S143-I145 PolarHBondContact O-N 3.29Å; S143-I145 VanDerWaalsContact O-N 3.11Å; S143-L146 PolarHBondContact O-N 3.36Å
144	D	49.5	Very low	55.7	Low	131 Å²	131	92.1 Å²	92.1	70%	0.701	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-87.6	7	-149.6	-36.5	-43.3	0	0	0	113.2	S142	S142-D144 WeakPolarHBondContact CB-OD2 3.3Å; S142-D144 PolarHBondContact O-N 2.74Å
145	I	62.7	Low	58.4	Low	75 Å²	75	86.8 Å²	86.8	39%	0.385	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-93.4	-26.6	179.7	-78.5	167.9	0	0	0	112.4	I131 L141 S143	I131-I145 HydrophobicContact CD1-CB 4.32Å; I131-I145 HydrophobicContact CD1-CD1 4.11Å; I131-I145 HydrophobicContact CD1-CG1 3.98Å; I131-I145 HydrophobicContact CD1-CG2 3.49Å; I131-I145 VanDerWaalsContact CD1-CG2 3.49Å; L141-I145 HydrophobicContact CD1-CD1 3.45Å; L141-I145 VanDerWaalsContact CD1-CD1 3.45Å; L141-I145 HydrophobicContact CG-CD1 4.13Å; S143-I145 PolarHBondContact O-N 3.29Å; S143-I145 VanDerWaalsContact O-N 3.11Å
146	L	69.6	Low	61	Low	20 Å²	20	80.4 Å²	80.4	11%	0.105	46%	0.463	C	S	.	.	S	Bend	trans	-94.1	120.6	179.8	-68.1	175.7	0	0	0	110.1	L23 L25 V105 L108 S143	L23-L146 HydrophobicContact CB-CB 4.14Å; L23-L146 HydrophobicContact CD1-CB 4.44Å; L25-L146 HydrophobicContact CD2-CD1 3.95Å; L25-L146 HydrophobicContact CD2-CD2 4.3Å; V105-L146 HydrophobicContact CG1-CD2 3.83Å; L108-L146 HydrophobicContact CD1-CD1 4.37Å; S143-L146 PolarHBondContact O-N 3.36Å
147	P	75.5	Confident	63.7	Low	61 Å²	61	78.9 Å²	78.9	40%	0.396	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-69.5	141.1	-176.1	25.3	-30.7	0	0	0	111.9	L24 F128 N149	L24-P147 HydrophobicContact CB-CG 4.29Å; L24-P147 PolarHBondContact N-O 3.4Å; F128-P147 HydrophobicContact CE1-CG 4.3Å; P147-N149 PolarHBondContact O-N 3.25Å
148	H	81.1	Confident	66.2	Low	71 Å²	71	79.7 Å²	79.7	33%	0.329	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-70.7	126.1	177.4	-167.4	-131.1	0	0	0	111	T21 P22 L23 I150 E153	T21-H148 VanDerWaalsContact C-NE2 3.3Å; T21-H148 WeakPolarHBondContact CA-NE2 3.37Å; T21-H148 WeakPolarHBondContact CB-NE2 3.45Å; P22-H148 PolarHBondContact O-CD2 3.12Å; L23-H148 HydrophobicContact CD2-CB 4.46Å; H148-I150 HydrophobicContact CB-CG1 4.29Å; H148-I150 WeakPolarHBondContact ND1-CG1 3.34Å; H148-I150 PolarHBondContact O-N 3.35Å; H148-E153 IonicContact CE1-OE1 3.22Å; H148-E153 IonicContact CE1-OE2 3.83Å; H148-E153 PolarHBondContact CE1-OE2 2.85Å; H148-E153 IonicContact ND1-OE2 3.26Å
149	N	86.3	Confident	68.5	Low	28 Å²	28	72.8 Å²	72.8	15%	0.15	39%	0.392	C	S	.	.			trans	-82.2	64.7	-178.8	-165	-10.4	0	0	0	111.4	P22 L24 S30 P147 A151 L152 E153	P22-N149 HydrophobicContact CB-CB 4.14Å; P22-N149 HydrophobicContact CG-CB 4.11Å; P22-N149 WeakPolarHBondContact O-CB 3.39Å; P22-N149 PolarHBondContact O-N 2.85Å; L24-N149 HydrophobicContact CB-CB 4.24Å; S30-N149 PolarHBondContact OG-ND2 2.95Å; P147-N149 PolarHBondContact O-N 3.25Å; N149-A151 PolarHBondContact O-N 2.93Å; N149-A151 VanDerWaalsContact O-N 3.11Å; N149-L152 HydrophobicContact CB-CB 4.17Å; N149-L152 VanDerWaalsContact CG-CB 3.43Å; N149-L152 WeakPolarHBondContact ND2-CB 3.24Å; N149-L152 PolarHBondContact O-N 3.33Å; N149-L152 WeakPolarHBondContact OD1-CB 3.24Å; N149-L152 PolarHBondContact OD1-N 3.49Å; N149-L152 VanDerWaalsContact OD1-N 3.09Å; N149-E153 PolarHBondContact O-N 2.92Å; N149-E153 VanDerWaalsContact O-N 3.1Å
150	I	82.8	Confident	70.9	Confident	95 Å²	95	67.1 Å²	67.1	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-56	-26.7	177.2	-62.5	166.1	0	0	0	111.2	H148 N154	H148-I150 HydrophobicContact CB-CG1 4.29Å; H148-I150 WeakPolarHBondContact ND1-CG1 3.34Å; H148-I150 PolarHBondContact O-N 3.35Å; I150-N154 VanDerWaalsContact CG2-ND2 3.33Å; I150-N154 WeakPolarHBondContact CG2-ND2 3.4Å; I150-N154 VanDerWaalsContact O-CB 3.29Å; I150-N154 WeakPolarHBondContact O-CB 3.38Å; I150-N154 PolarHBondContact O-N 2.95Å; I150-N154 PolarHBondContact O-ND2 3.43Å
151	A	83.1	Confident	72.9	Confident	70 Å²	70	67.9 Å²	67.9	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-68.2	-41.6	175.4	0	0	0	0	0	112.7	N149 L155	N149-A151 PolarHBondContact O-N 2.93Å; N149-A151 VanDerWaalsContact O-N 3.11Å; A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 PolarHBondContact O-N 3.46Å
152	L	86.3	Confident	74	Confident	19 Å²	19	67.1 Å²	67.1	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-71.3	-39.4	175.8	179.4	55.9	0	0	0	111.8	I10 F19 P22 N149 N154 L155 I156	I10-L152 HydrophobicContact CG2-CD1 4.46Å; F19-L152 HydrophobicContact CD2-CD2 3.63Å; F19-L152 HydrophobicContact CD2-CG 4.27Å; F19-L152 HydrophobicContact CE2-CD2 3.8Å; F19-L152 HydrophobicContact CG-CD2 4.19Å; F19-L152 HydrophobicContact CZ-CD2 4.48Å; P22-L152 HydrophobicContact CB-CD2 4.04Å; P22-L152 HydrophobicContact CG-CB 4.3Å; P22-L152 HydrophobicContact CG-CD2 4.31Å; P22-L152 HydrophobicContact CG-CG 4.34Å; N149-L152 HydrophobicContact CB-CB 4.17Å; N149-L152 VanDerWaalsContact CG-CB 3.43Å; N149-L152 WeakPolarHBondContact ND2-CB 3.24Å; N149-L152 PolarHBondContact O-N 3.33Å; N149-L152 WeakPolarHBondContact OD1-CB 3.24Å; N149-L152 PolarHBondContact OD1-N 3.49Å; N149-L152 VanDerWaalsContact OD1-N 3.09Å; L152-N154 PolarHBondContact O-N 3.38Å; L152-L155 HydrophobicContact CD1-CD2 4.35Å; L152-L155 WeakPolarHBondContact O-CB 3.35Å; L152-L155 PolarHBondContact O-N 2.89Å; L152-L155 VanDerWaalsContact O-N 3.11Å; L152-I156 HydrophobicContact CD1-CD1 4.14Å; L152-I156 HydrophobicContact CD1-CG1 4.33Å; L152-I156 HydrophobicContact CG-CD1 4.07Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 2.75Å
153	E	85.4	Confident	74.9	Confident	69 Å²	69	68 Å²	68	32%	0.322	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-43.8	172.8	-176.4	171.7	-127.9	0	0	111.9	P22 H148 N149 L155 I156 T157	P22-E153 HydrophobicContact CG-CB 4.37Å; H148-E153 IonicContact CE1-OE1 3.22Å; H148-E153 IonicContact CE1-OE2 3.83Å; H148-E153 PolarHBondContact CE1-OE2 2.85Å; H148-E153 IonicContact ND1-OE2 3.26Å; N149-E153 PolarHBondContact O-N 2.92Å; N149-E153 VanDerWaalsContact O-N 3.1Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.03Å; E153-I156 PolarHBondContact O-N 2.74Å; E153-T157 VanDerWaalsContact O-CB 3.29Å; E153-T157 WeakPolarHBondContact O-CB 3.48Å; E153-T157 PolarHBondContact O-N 3.02Å; E153-T157 PolarHBondContact O-OG1 3.41Å
154	N	83.1	Confident	75.4	Confident	84 Å²	84	69.6 Å²	69.6	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-69	-23.6	172.7	-81.5	-59.7	0	0	0	113.6	I150 L152 R158	I150-N154 VanDerWaalsContact CG2-ND2 3.33Å; I150-N154 WeakPolarHBondContact CG2-ND2 3.4Å; I150-N154 VanDerWaalsContact O-CB 3.29Å; I150-N154 WeakPolarHBondContact O-CB 3.38Å; I150-N154 PolarHBondContact O-N 2.95Å; I150-N154 PolarHBondContact O-ND2 3.43Å; L152-N154 PolarHBondContact O-N 3.38Å; N154-R158 VanDerWaalsContact O-CG 3.32Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-N 3.38Å; N154-R158 PolarHBondContact O-NE 3Å
155	L	83.8	Confident	75.5	Confident	61 Å²	61	69.6 Å²	69.6	32%	0.319	37%	0.372	S	S	.	.	H	α-helix	trans	-73.3	-51.6	171.6	177.8	61	0	0	0	110.7	A151 L152 E153 T157 R158 I159	A151-L155 WeakPolarHBondContact O-CB 3.4Å; A151-L155 PolarHBondContact O-N 3.46Å; L152-L155 HydrophobicContact CD1-CD2 4.35Å; L152-L155 WeakPolarHBondContact O-CB 3.35Å; L152-L155 PolarHBondContact O-N 2.89Å; L152-L155 VanDerWaalsContact O-N 3.11Å; E153-L155 VanDerWaalsContact C-N 3.3Å; E153-L155 PolarHBondContact O-N 3.03Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 3.37Å; L155-R158 PolarHBondContact O-N 2.99Å; L155-R158 VanDerWaalsContact O-N 3.1Å; L155-I159 HydrophobicContact CD1-CD1 3.91Å; L155-I159 HydrophobicContact CD1-CG1 4.32Å; L155-I159 HydrophobicContact CG-CD1 3.86Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 3.1Å
156	I	85.1	Confident	74.9	Confident	16 Å²	16	74 Å²	74	8%	0.082	39%	0.391	C	S	.	.	H	α-helix	trans	-54.9	-48.6	176	-71.1	164.3	0	0	0	110.2	I10 I18 F19 L152 E153 R158 I159 T160	I10-I156 HydrophobicContact CB-CD1 4.45Å; I10-I156 HydrophobicContact CB-CG1 4.12Å; I10-I156 HydrophobicContact CG2-CG1 4.18Å; I18-I156 HydrophobicContact CG2-CD1 3.97Å; I18-I156 HydrophobicContact CG2-CG1 4.23Å; I18-I156 HydrophobicContact CG2-CG2 3.54Å; F19-I156 HydrophobicContact CB-CD1 3.71Å; F19-I156 HydrophobicContact CD2-CD1 4.18Å; F19-I156 HydrophobicContact CG-CD1 4.45Å; L152-I156 HydrophobicContact CD1-CD1 4.14Å; L152-I156 HydrophobicContact CD1-CG1 4.33Å; L152-I156 HydrophobicContact CG-CD1 4.07Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 2.75Å; E153-I156 PolarHBondContact O-N 2.74Å; I156-R158 VanDerWaalsContact C-N 3.28Å; I156-R158 PolarHBondContact O-N 3.4Å; I156-I159 PolarHBondContact O-N 2.68Å; I156-I159 VanDerWaalsContact O-N 3.15Å; I156-T160 HydrophobicContact CG2-CG2 4.32Å; I156-T160 WeakPolarHBondContact O-CG2 3.41Å; I156-T160 PolarHBondContact O-N 3.11Å; I156-T160 PolarHBondContact O-OG1 3.17Å; I156-T160 VanDerWaalsContact O-OG1 3.08Å
157	T	83.6	Confident	73.3	Confident	47 Å²	47	83.5 Å²	83.5	29%	0.288	43%	0.425	S	S	.	.	H	α-helix	trans	-60.4	-33.2	179	-60.2	0	0	0	0	113.2	E153 L155 T160 K161	E153-T157 VanDerWaalsContact O-CB 3.29Å; E153-T157 WeakPolarHBondContact O-CB 3.48Å; E153-T157 PolarHBondContact O-N 3.02Å; E153-T157 PolarHBondContact O-OG1 3.41Å; L155-T157 VanDerWaalsContact C-N 3.31Å; L155-T157 PolarHBondContact O-N 3.37Å; T157-T160 PolarHBondContact O-OG1 2.97Å; T157-K161 HydrophobicContact CG2-CD 3.96Å; T157-K161 VanDerWaalsContact O-CB 3.29Å; T157-K161 WeakPolarHBondContact O-CB 3.43Å; T157-K161 WeakPolarHBondContact O-CD 3.47Å; T157-K161 WeakPolarHBondContact O-CG 3.39Å; T157-K161 PolarHBondContact O-N 3.24Å
158	R	81.3	Confident	71.4	Confident	161 Å²	161	86.3 Å²	86.3	61%	0.608	44%	0.437	S	S	*	.	H	α-helix	trans	-74.2	-42.5	174.6	-78.4	176.8	-67.6	148.3	-0.4	111.8	N154 L155 I156 A162	N154-R158 VanDerWaalsContact O-CG 3.32Å; N154-R158 WeakPolarHBondContact O-CG 3.47Å; N154-R158 PolarHBondContact O-N 3.38Å; N154-R158 PolarHBondContact O-NE 3Å; L155-R158 PolarHBondContact O-N 2.99Å; L155-R158 VanDerWaalsContact O-N 3.1Å; I156-R158 VanDerWaalsContact C-N 3.28Å; I156-R158 PolarHBondContact O-N 3.4Å; R158-A162 VanDerWaalsContact O-CB 3.32Å; R158-A162 WeakPolarHBondContact O-CB 3.41Å; R158-A162 PolarHBondContact O-N 3.25Å
159	I	77.3	Confident	69.4	Low	31 Å²	31	90.2 Å²	90.2	16%	0.159	46%	0.459	C	S	.	.	H	α-helix	trans	-63.4	-49.8	178.6	-65	164.3	0	0	0	110.1	I2 L6 I10 L155 I156 K161 A162 E163	I2-I159 HydrophobicContact CG1-CG2 3.74Å; L6-I159 HydrophobicContact CD2-CD1 3.82Å; I10-I159 HydrophobicContact CG2-CD1 4.44Å; L155-I159 HydrophobicContact CD1-CD1 3.91Å; L155-I159 HydrophobicContact CD1-CG1 4.32Å; L155-I159 HydrophobicContact CG-CD1 3.86Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 3.1Å; I156-I159 PolarHBondContact O-N 2.68Å; I156-I159 VanDerWaalsContact O-N 3.15Å; I159-K161 PolarHBondContact O-N 3.15Å; I159-A162 PolarHBondContact O-N 2.89Å; I159-E163 PolarHBondContact O-N 3.41Å
160	T	79.1	Confident	66.6	Low	57 Å²	57	95.6 Å²	95.6	35%	0.35	49%	0.487	S	S	.	.	H	α-helix	trans	-66	-40.5	-178.7	56.1	0	0	0	0	112.7	I156 T157 A162 E163 V164	I156-T160 HydrophobicContact CG2-CG2 4.32Å; I156-T160 WeakPolarHBondContact O-CG2 3.41Å; I156-T160 PolarHBondContact O-N 3.11Å; I156-T160 PolarHBondContact O-OG1 3.17Å; I156-T160 VanDerWaalsContact O-OG1 3.08Å; T157-T160 PolarHBondContact O-OG1 2.97Å; T160-A162 PolarHBondContact O-N 3.44Å; T160-E163 PolarHBondContact O-N 2.98Å; T160-V164 PolarHBondContact O-N 3.15Å
161	K	73.2	Confident	64.1	Low	138 Å²	138	96 Å²	96	60%	0.6	49%	0.494	S	S	*	.	H	α-helix	trans	-65.7	-35.7	175.3	-73.6	177.1	179.3	176.9	0	112.9	T157 I159 E163 V164 N165	T157-K161 HydrophobicContact CG2-CD 3.96Å; T157-K161 VanDerWaalsContact O-CB 3.29Å; T157-K161 WeakPolarHBondContact O-CB 3.43Å; T157-K161 WeakPolarHBondContact O-CD 3.47Å; T157-K161 WeakPolarHBondContact O-CG 3.39Å; T157-K161 PolarHBondContact O-N 3.24Å; I159-K161 PolarHBondContact O-N 3.15Å; K161-E163 VanDerWaalsContact C-N 3.26Å; K161-E163 PolarHBondContact O-N 3.14Å; K161-V164 PolarHBondContact O-N 2.98Å; K161-N165 PolarHBondContact O-N 3.41Å
162	A	61.9	Low	61.5	Low	58 Å²	58	98.5 Å²	98.5	48%	0.479	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-29.3	175.1	0	0	0	0	0	112.8	R158 I159 T160	R158-A162 VanDerWaalsContact O-CB 3.32Å; R158-A162 WeakPolarHBondContact O-CB 3.41Å; R158-A162 PolarHBondContact O-N 3.25Å; I159-A162 PolarHBondContact O-N 2.89Å; T160-A162 PolarHBondContact O-N 3.44Å
163	E	56.7	Low	58.8	Low	71 Å²	71	103.1 Å²	103.1	33%	0.332	53%	0.532	S	S	.	.	H	α-helix	trans	-77.3	-28.2	176.1	-65.8	-165.4	172.9	0	0	113.9	M1 I2 I159 T160 K161	M1-E163 VanDerWaalsContact CA-OE1 3.3Å; M1-E163 WeakPolarHBondContact CA-OE1 3.34Å; M1-E163 PolarHBondContact N-OE1 3.39Å; M1-E163 PolarHBondContact N-OE2 2.89Å; I2-E163 PolarHBondContact N-OE1 2.54Å; I159-E163 PolarHBondContact O-N 3.41Å; T160-E163 PolarHBondContact O-N 2.98Å; K161-E163 VanDerWaalsContact C-N 3.26Å; K161-E163 PolarHBondContact O-N 3.14Å
164	V	55.5	Low	56.2	Low	98 Å²	98	108 Å²	108	59%	0.594	56%	0.559	S	S	*	*	H	α-helix	trans	-72	-42	178.4	175	0	0	0	0	111.5	T160 K161 H166 R167	T160-V164 PolarHBondContact O-N 3.15Å; K161-V164 PolarHBondContact O-N 2.98Å; V164-H166 PolarHBondContact O-N 2.98Å; V164-R167 PolarHBondContact O-N 3.42Å
165	N	52.9	Low	53.5	Low	132 Å²	132	110.4 Å²	110.4	71%	0.706	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	4.2	-179.3	-69.6	2.8	0	0	0	114.8	K161	K161-N165 PolarHBondContact O-N 3.41Å
166	H	48.8	Very low	50.7	Low	168 Å²	168	113.3 Å²	113.3	78%	0.778	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	10.2	178	-96.1	-63.1	0	0	0	114	V164	V164-H166 PolarHBondContact O-N 2.98Å
167	R	37.1	Very low	48	Very low	219 Å²	219	115.8 Å²	115.8	83%	0.826	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	-14.8	-178.7	-70.7	-169.6	167.6	-168.7	-7.1	116.9	V164	V164-R167 PolarHBondContact O-N 3.42Å
168	D	34.5	Very low	45.2	Very low	120 Å²	120	120.4 Å²	120.4	64%	0.642	66%	0.655	S	S	*	*			trans	-145	148.2	176.7	-70.1	-71	0	0	0	108.3
169	I	40	Very low	42.8	Very low	152 Å²	152	120.3 Å²	120.3	78%	0.779	67%	0.665	S	S	*	*			cis	-152.8	162.5	-0.2	-122.9	162.8	0	0	0	109.9
170	D	27.6	Very low	40.5	Very low	141 Å²	141	126.6 Å²	126.6	75%	0.754	69%	0.691	S	S	*	*			trans	-85.7	131.4	175.1	-134.3	-35.2	0	0	0	112.4
171	T	30.9	Very low	38	Very low	103 Å²	103	133.4 Å²	133.4	63%	0.632	72%	0.715	S	S	*	*	S	Bend	trans	61	113.9	152.1	-55.3	0	0	0	0	120.7
172	T	28.1	Very low	36	Very low	124 Å²	124	132.8 Å²	132.8	76%	0.761	72%	0.719	S	S	*	*			trans	65.3	151.8	156.5	60.4	0	0	0	0	119.1
173	T	28.7	Very low	34.5	Very low	115 Å²	115	137.5 Å²	137.5	71%	0.706	74%	0.736	S	S	*	*			cis	-158.5	147.7	-6.4	7.6	0	0	0	0	108.6
174	L	31	Very low	33.6	Very low	173 Å²	173	139.7 Å²	139.7	91%	0.906	76%	0.755	S	S	*	*			trans	-159.1	139.2	145	-115	168.2	0	0	0	113
175	N	26.4	Very low	32.9	Very low	133 Å²	133	138.7 Å²	138.7	71%	0.711	75%	0.752	S	S	*	*			trans	-81.5	172.6	-163	-68.5	-38.5	0	0	0	116
176	S	24.6	Very low	32.6	Very low	123 Å²	123	137.9 Å²	137.9	86%	0.86	75%	0.747	S	S	*	*			trans	72	99.1	145	-65.8	0	0	0	0	119
177	G	28.4	Very low	32.5	Very low	67 Å²	67	134 Å²	134	69%	0.691	74%	0.738	S	S	*	*			trans	-146.6	65.3	164.3	0	0	0	0	0	111.8	I179	G177-I179 VanDerWaalsContact C-N 3.31Å; G177-I179 PolarHBondContact O-N 3.38Å
178	V	25.3	Very low	33.3	Very low	145 Å²	145	128 Å²	128	88%	0.879	73%	0.726	S	S	*	*			trans	-74.5	86.6	173	-179	0	0	0	0	108.8	K180	V178-K180 PolarHBondContact O-N 2.99Å
179	I	30.3	Very low	34.5	Very low	159 Å²	159	124.7 Å²	124.7	82%	0.815	71%	0.708	S	S	*	*			trans	-75	123.3	176.8	-60.8	177.4	0	0	0	108.7	G177	G177-I179 VanDerWaalsContact C-N 3.31Å; G177-I179 PolarHBondContact O-N 3.38Å
180	K	29.6	Very low	35.7	Very low	162 Å²	162	123.9 Å²	123.9	70%	0.704	70%	0.695	S	S	*	*			trans	-66.5	149	176	-66.8	177.1	179.5	176.3	0	110.5	V178 D182	V178-K180 PolarHBondContact O-N 2.99Å; K180-D182 PolarHBondContact O-N 3.19Å
181	K	27.7	Very low	37.9	Very low	200 Å²	200	117.6 Å²	117.6	87%	0.87	66%	0.662	S	S	*	*			trans	-74.6	79.5	164.4	-79.8	-171.9	173.6	-176.7	0	109.6	N183	K181-N183 PolarHBondContact O-N 3.47Å
182	D	30.1	Very low	39.8	Very low	125 Å²	125	118.5 Å²	118.5	67%	0.668	66%	0.659	S	S	*	*			trans	-79.6	106.3	167.9	-64.6	-23.9	0	0	0	108	K180 T184	K180-D182 PolarHBondContact O-N 3.19Å; D182-T184 VanDerWaalsContact C-N 3.3Å; D182-T184 PolarHBondContact O-N 3.49Å
183	N	31.4	Very low	41.6	Very low	157 Å²	157	113.4 Å²	113.4	84%	0.84	63%	0.627	S	S	*	*			trans	-73.7	81.6	176.8	-76.1	-17.8	0	0	0	109.7	K181 S185	K181-N183 PolarHBondContact O-N 3.47Å; N183-S185 PolarHBondContact O-N 2.88Å; N183-S185 VanDerWaalsContact O-N 3.14Å
184	T	37	Very low	43.5	Very low	118 Å²	118	109.8 Å²	109.8	72%	0.724	61%	0.606	S	S	*	*			trans	-61.7	115.5	172.4	-10.6	0	0	0	0	109.6	D182	D182-T184 VanDerWaalsContact C-N 3.3Å; D182-T184 PolarHBondContact O-N 3.49Å
185	S	40.5	Very low	44.5	Very low	77 Å²	77	105.7 Å²	105.7	54%	0.538	58%	0.583	S	S	.	*			trans	-63.9	142.7	-179.2	53.9	0	0	0	0	111.6	N183 S187 T188	N183-S185 PolarHBondContact O-N 2.88Å; N183-S185 VanDerWaalsContact O-N 3.14Å; S185-S187 PolarHBondContact O-N 3.46Å; S185-S187 PolarHBondContact OG-OG 3.31Å; S185-T188 PolarHBondContact O-OG1 3.49Å
186	L	47.2	Very low	45.8	Very low	115 Å²	115	103.4 Å²	103.4	60%	0.602	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-62.2	4.3	-179	-75.2	160.3	0	0	0	115	T188 I189 F236	L186-T188 PolarHBondContact O-N 2.93Å; L186-I189 HydrophobicContact CD2-CD1 4.49Å; L186-F236 HydrophobicContact CB-CZ 4.37Å
187	S	45.3	Very low	46.9	Very low	85 Å²	85	100.9 Å²	100.9	59%	0.594	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-75.4	5.4	-178	54.5	0	0	0	0	115.4	S185	S185-S187 PolarHBondContact O-N 3.46Å; S185-S187 PolarHBondContact OG-OG 3.31Å
188	T	54.9	Low	47.7	Very low	94 Å²	94	103.5 Å²	103.5	58%	0.577	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-114.2	-5.7	-172.8	39.1	0	0	0	0	115.5	S185 L186 R190	S185-T188 PolarHBondContact O-OG1 3.49Å; L186-T188 PolarHBondContact O-N 2.93Å; T188-R190 PolarHBondContact O-N 2.89Å
189	I	59.3	Low	48.8	Very low	51 Å²	51	105.7 Å²	105.7	26%	0.262	56%	0.558	S	S	.	*			trans	-78.3	112.7	176.1	-49.4	-176.7	0	0	0	109.1	L186 T202 W212 F236	L186-I189 HydrophobicContact CD2-CD1 4.49Å; I189-T202 HydrophobicContact CG2-CG2 4.19Å; I189-T202 WeakPolarHBondContact CG2-OG1 3.29Å; I189-T202 PolarHBondContact O-OG1 3.19Å; I189-W212 HydrophobicContact CD1-CH2 4.34Å; I189-W212 HydrophobicContact CD1-CZ2 4.42Å; I189-W212 HydrophobicContact CG2-CD2 3.6Å; I189-W212 HydrophobicContact CG2-CE3 3.72Å; I189-W212 HydrophobicContact CG2-CG 4.05Å; I189-W212 HydrophobicContact CG2-CH2 4.33Å; I189-W212 HydrophobicContact CG2-CZ2 4.22Å; I189-W212 HydrophobicContact CG2-CZ3 4.08Å; I189-F236 HydrophobicContact CD1-CE2 4.45Å
190	R	66.6	Low	49.9	Very low	135 Å²	135	102.2 Å²	102.2	51%	0.509	54%	0.54	S	S	.	.	B	Isolated β-bridge	trans	-116.9	159	-175.4	-71.4	178.7	172.9	148.4	-4	111.6	T188 Q192 S197 T202	T188-R190 PolarHBondContact O-N 2.89Å; R190-Q192 PolarHBondContact O-N 2.71Å; R190-S197 PolarHBondContact NE-O 2.7Å; R190-S197 PolarHBondContact NH2-O 2.95Å; R190-T202 WeakPolarHBondContact O-CG2 3.4Å
191	C	73	Confident	51	Low	9 Å²	9	100 Å²	100	6%	0.061	54%	0.536	C	S	.	.			trans	-64.3	123.9	175.4	-177.3	0	0	0	0	110.4	L193 C194 T202 C214	C191-L193 PolarHBondContact O-N 3.11Å; C191-C194 HydrophobicContact CB-CB 4.19Å; C191-C194 PolarHBondContact O-N 3.28Å; C191-C194 VanDerWaalsContact SG-SG 3.6Å; C191-T202 VanDerWaalsContact N-CG2 3.31Å; C191-C214 HydrophobicContact CB-CB 3.97Å; C191-C214 PolarHBondContact SG-N 3.07Å
192	Q	70.4	Confident	52.5	Low	121 Å²	121	90.6 Å²	90.6	57%	0.565	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-0.2	-176.8	-149.1	73.2	15.1	0	0	113.5	R190 L211 W212	R190-Q192 PolarHBondContact O-N 2.71Å; Q192-L211 HydrophobicContact CB-CD2 4.14Å; Q192-L211 HydrophobicContact CG-CD2 3.96Å; Q192-W212 PolarHBondContact N-O 3.15Å
193	L	66.2	Low	54	Low	17 Å²	17	88.4 Å²	88.4	9%	0.089	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	9.1	-175	-54.4	179	0	0	0	113.1	C191 Y213 C217 W221 L279	C191-L193 PolarHBondContact O-N 3.11Å; L193-Y213 HydrophobicContact CD1-CD1 3.75Å; L193-Y213 HydrophobicContact CD1-CE1 3.54Å; L193-C217 HydrophobicContact CB-CB 4.14Å; L193-C217 HydrophobicContact CD1-CB 4.25Å; L193-W221 HydrophobicContact CD1-CB 3.75Å; L193-W221 HydrophobicContact CD1-CG 4.11Å; L193-L279 HydrophobicContact CD2-CD2 3.64Å
194	C	67.8	Low	55.9	Low	40 Å²	40	81.7 Å²	81.7	27%	0.27	45%	0.448	S	S	.	.			trans	-110.2	129.4	174.5	-64.4	0	0	0	0	110	C191	C191-C194 HydrophobicContact CB-CB 4.19Å; C191-C194 PolarHBondContact O-N 3.28Å; C191-C194 VanDerWaalsContact SG-SG 3.6Å
195	E	52.1	Low	58	Low	87 Å²	87	76.7 Å²	76.7	41%	0.407	42%	0.417	S	S	.	.	S	Bend	trans	-78.1	-28.4	176.6	-64.7	-167.7	165.4	0	0	113.2	Y264 R280	E195-Y264 WeakPolarHBondContact OE1-CE1 3.4Å; E195-R280 WeakPolarHBondContact OE1-CG 3.24Å; E195-R280 IonicContact OE1-CZ 3.98Å; E195-R280 IonicContact OE1-NE 3.78Å; E195-R280 PolarHBondContact OE1-NE 2.89Å; E195-R280 IonicContact OE1-NH2 3.48Å; E195-R280 IonicContact OE2-CZ 3.04Å; E195-R280 VanDerWaalsContact OE2-CZ 3.26Å; E195-R280 IonicContact OE2-NE 3.92Å; E195-R280 PolarHBondContact OE2-NE 2.93Å; E195-R280 IonicContact OE2-NH2 2.95Å; E195-R280 PolarHBondContact OE2-NH2 3.16Å
196	S	53.1	Low	59.9	Low	85 Å²	85	73 Å²	73	59%	0.594	39%	0.391	S	S	*	.			trans	-81	119.6	-179.8	41.2	0	0	0	0	111.9	N198	S196-N198 PolarHBondContact O-N 3.35Å; S196-N198 VanDerWaalsContact O-N 3.11Å
197	S	47.7	Very low	61.2	Low	69 Å²	69	70.8 Å²	70.8	48%	0.483	38%	0.377	S	S	.	.			trans	-77.7	14	-173.9	47	0	0	0	0	115.3	R190	R190-S197 PolarHBondContact NE-O 2.7Å; R190-S197 PolarHBondContact NH2-O 2.95Å
198	N	45.7	Very low	62.8	Low	123 Å²	123	69.1 Å²	69.1	66%	0.658	36%	0.36	S	S	*	.	S	Bend	trans	-98.5	112.4	-173.6	-67.9	-0.9	0	0	0	112.1	S196 I200	S196-N198 PolarHBondContact O-N 3.35Å; S196-N198 VanDerWaalsContact O-N 3.11Å; N198-I200 VanDerWaalsContact C-N 3.26Å; N198-I200 PolarHBondContact O-N 3.49Å
199	E	48.6	Very low	63.6	Low	191 Å²	191	64.7 Å²	64.7	89%	0.893	33%	0.333	S	S	*	.	S	Bend	trans	53.6	3.2	150.9	-53.3	-165.1	150.4	0	0	121.3	L201	E199-L201 PolarHBondContact O-N 3.11Å
200	I	53.4	Low	64.2	Low	85 Å²	85	65.7 Å²	65.7	44%	0.436	34%	0.339	S	S	.	.			trans	-76.9	96.9	173.1	-53.8	178.6	0	0	0	110.7	N198 T202 C214	N198-I200 VanDerWaalsContact C-N 3.26Å; N198-I200 PolarHBondContact O-N 3.49Å; I200-T202 PolarHBondContact O-N 3.2Å; I200-C214 HydrophobicContact CG2-CB 3.39Å
201	L	53.7	Low	64.5	Low	116 Å²	116	60.6 Å²	60.6	61%	0.607	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-55	132.7	169.7	-75.1	168.3	0	0	0	111.6	E199	E199-L201 PolarHBondContact O-N 3.11Å
202	T	58.7	Low	64.7	Low	3 Å²	3	63.4 Å²	63.4	2%	0.018	33%	0.331	C	S	.	.			trans	-73.8	130.4	173.3	48.3	0	0	0	0	111.3	I189 R190 C191 I200 W212	I189-T202 HydrophobicContact CG2-CG2 4.19Å; I189-T202 WeakPolarHBondContact CG2-OG1 3.29Å; I189-T202 PolarHBondContact O-OG1 3.19Å; R190-T202 WeakPolarHBondContact O-CG2 3.4Å; C191-T202 VanDerWaalsContact N-CG2 3.31Å; I200-T202 PolarHBondContact O-N 3.2Å; T202-W212 HydrophobicContact CG2-CB 3.99Å; T202-W212 HydrophobicContact CG2-CE3 4.41Å
203	L	62.2	Low	64.9	Low	78 Å²	78	58 Å²	58	41%	0.408	31%	0.305	S	S	.	.			trans	-110.9	-6.7	-177.8	-71.2	166.6	0	0	0	112.8	Y213 K215 S235	L203-Y213 PolarHBondContact N-O 2.7Å; L203-K215 HydrophobicContact CD1-CB 4.09Å; L203-S235 WeakPolarHBondContact O-CA 3.45Å; L203-S235 PolarHBondContact O-OG 2.75Å
204	S	71	Confident	65.5	Low	17 Å²	17	57.3 Å²	57.3	12%	0.119	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	124.5	-171.1	-64.8	0	0	0	0	111.9	Y213	S204-Y213 PolarHBondContact N-O 2.8Å; S204-Y213 PolarHBondContact O-N 3.08Å
205	F	80.6	Confident	65.8	Low	13 Å²	13	62.5 Å²	62.5	6%	0.057	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.6	167.3	175.7	-107.9	0	0	0	109.4	E207 L211 W212 I233 T234	F205-E207 HydrophobicContact CD1-CG 4.29Å; F205-E207 HydrophobicContact CE1-CB 4.42Å; F205-E207 HydrophobicContact CE1-CG 4.09Å; F205-L211 VanDerWaalsContact CD2-O 3.3Å; F205-L211 WeakPolarHBondContact CD2-O 3.48Å; F205-W212 HydrophobicContact CB-CD2 4.04Å; F205-W212 HydrophobicContact CB-CE3 3.76Å; F205-W212 HydrophobicContact CB-CH2 4.01Å; F205-W212 HydrophobicContact CB-CZ2 4.26Å; F205-W212 HydrophobicContact CB-CZ3 3.75Å; F205-W212 AromaticContact CD2-CD1 3.92Å; F205-W212 AromaticContact CD2-CD2 3.74Å; F205-W212 HydrophobicContact CD2-CD2 3.74Å; F205-W212 AromaticContact CD2-CE2 3.57Å; F205-W212 HydrophobicContact CD2-CE3 4.36Å; F205-W212 AromaticContact CD2-CG 3.95Å; F205-W212 HydrophobicContact CD2-CG 3.95Å; F205-W212 HydrophobicContact CD2-CZ2 4.04Å; F205-W212 AromaticContact CD2-NE1 3.66Å; F205-W212 AromaticContact CE2-NE1 3.92Å; F205-W212 HydrophobicContact CG-CD2 4.29Å; F205-W212 HydrophobicContact CG-CE3 4.49Å; F205-W212 HydrophobicContact CG-CH2 4.43Å; F205-W212 HydrophobicContact CG-CZ2 4.23Å; F205-I233 CarbonylContact O-C 3.55Å; F205-I233 VanDerWaalsContact O-CA 3.3Å; F205-I233 WeakPolarHBondContact O-CA 3.49Å; F205-T234 PolarHBondContact N-O 3.13Å; F205-T234 PolarHBondContact O-N 2.97Å
206	C	81.4	Confident	66.8	Low	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.4	171.5	174.7	0	0	0	0	110.7	Q208 C209 N210 L211 Y213 H222 I233	C206-Q208 VanDerWaalsContact C-N 3.35Å; C206-Q208 PolarHBondContact O-N 3.06Å; C206-C209 HydrophobicContact CB-CB 3.95Å; C206-C209 PolarHBondContact O-N 3.25Å; C206-C209 PolarHBondContact SG-N 3.36Å; C206-C209 PolarHBondContact SG-SG 2.96Å; C206-N210 WeakPolarHBondContact O-CA 3.26Å; C206-N210 PolarHBondContact O-N 3.12Å; C206-L211 PolarHBondContact N-O 3.13Å; C206-L211 VanDerWaalsContact N-O 3.08Å; C206-Y213 HydrophobicContact CB-CE2 3.93Å; C206-H222 PolarHBondContact SG-NE2 2.88Å; C206-I233 HydrophobicContact CB-CG1 4.47Å
207	E	74.6	Confident	67.9	Low	67 Å²	67	59.2 Å²	59.2	31%	0.313	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-39.6	-177	-62.7	173.1	-179.4	0	0	112.3	F205 R232	F205-E207 HydrophobicContact CD1-CG 4.29Å; F205-E207 HydrophobicContact CE1-CB 4.42Å; F205-E207 HydrophobicContact CE1-CG 4.09Å; E207-R232 PolarHBondContact N-O 3.4Å; E207-R232 WeakPolarHBondContact OE1-CD 3.31Å; E207-R232 IonicContact OE1-CZ 2.69Å; E207-R232 IonicContact OE1-NE 2.76Å; E207-R232 IonicContact OE1-NH1 3.16Å; E207-R232 PolarHBondContact OE1-NH1 3.09Å; E207-R232 WeakPolarHBondContact OE2-CD 3.21Å; E207-R232 IonicContact OE2-NH1 2.89Å
208	Q	77.4	Confident	69.3	Low	50 Å²	50	57.4 Å²	57.4	23%	0.234	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-31.9	-175.8	-64.3	75.2	12.3	0	0	112.2	C206 H231 R232 K337	C206-Q208 VanDerWaalsContact C-N 3.35Å; C206-Q208 PolarHBondContact O-N 3.06Å; Q208-H231 HydrophobicContact CB-CB 4.36Å; Q208-H231 WeakPolarHBondContact CB-CD2 3.34Å; Q208-H231 WeakPolarHBondContact CB-NE2 3.24Å; Q208-R232 PolarHBondContact OE1-O 3.34Å; Q208-K337 PolarHBondContact O-NZ 3.09Å
209	C	71.9	Confident	70.6	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.007	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-30.9	173.1	-63.2	0	0	0	0	112.7	C206 L211 H222 H231	C206-C209 HydrophobicContact CB-CB 3.95Å; C206-C209 PolarHBondContact O-N 3.25Å; C206-C209 PolarHBondContact SG-N 3.36Å; C206-C209 PolarHBondContact SG-SG 2.96Å; C209-L211 HydrophobicContact CB-CB 4.21Å; C209-L211 HydrophobicContact CB-CD1 4.38Å; C209-L211 HydrophobicContact CB-CG 4.35Å; C209-H222 VanDerWaalsContact SG-CD2 3.55Å; C209-H231 PolarHBondContact SG-ND1 3.11Å; C209-H231 VanDerWaalsContact SG-ND1 3.43Å
210	N	72.2	Confident	71.5	Confident	72 Å²	72	55.2 Å²	55.2	39%	0.385	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	52.3	-164.6	-166.2	73.6	0	0	0	112.4	C206	C206-N210 WeakPolarHBondContact O-CA 3.26Å; C206-N210 PolarHBondContact O-N 3.12Å
211	L	73.8	Confident	72.1	Confident	28 Å²	28	54.6 Å²	54.6	15%	0.147	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.3	-177.8	-70.6	175.5	0	0	0	111.8	Q192 F205 C206 C209 Y213	Q192-L211 HydrophobicContact CB-CD2 4.14Å; Q192-L211 HydrophobicContact CG-CD2 3.96Å; F205-L211 VanDerWaalsContact CD2-O 3.3Å; F205-L211 WeakPolarHBondContact CD2-O 3.48Å; C206-L211 PolarHBondContact N-O 3.13Å; C206-L211 VanDerWaalsContact N-O 3.08Å; C209-L211 HydrophobicContact CB-CB 4.21Å; C209-L211 HydrophobicContact CB-CD1 4.38Å; C209-L211 HydrophobicContact CB-CG 4.35Å; L211-Y213 HydrophobicContact CB-CD2 4.44Å; L211-Y213 HydrophobicContact CB-CE2 3.64Å; L211-Y213 WeakPolarHBondContact O-CD2 3.45Å; L211-Y213 WeakPolarHBondContact O-CE2 3.34Å
212	W	75.7	Confident	73	Confident	69 Å²	69	49.5 Å²	49.5	26%	0.261	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.7	175.3	-69.8	93.6	0	0	0	111.3	I189 Q192 T202 F205	I189-W212 HydrophobicContact CD1-CH2 4.34Å; I189-W212 HydrophobicContact CD1-CZ2 4.42Å; I189-W212 HydrophobicContact CG2-CD2 3.6Å; I189-W212 HydrophobicContact CG2-CE3 3.72Å; I189-W212 HydrophobicContact CG2-CG 4.05Å; I189-W212 HydrophobicContact CG2-CH2 4.33Å; I189-W212 HydrophobicContact CG2-CZ2 4.22Å; I189-W212 HydrophobicContact CG2-CZ3 4.08Å; Q192-W212 PolarHBondContact N-O 3.15Å; T202-W212 HydrophobicContact CG2-CB 3.99Å; T202-W212 HydrophobicContact CG2-CE3 4.41Å; F205-W212 HydrophobicContact CB-CD2 4.04Å; F205-W212 HydrophobicContact CB-CE3 3.76Å; F205-W212 HydrophobicContact CB-CH2 4.01Å; F205-W212 HydrophobicContact CB-CZ2 4.26Å; F205-W212 HydrophobicContact CB-CZ3 3.75Å; F205-W212 AromaticContact CD2-CD1 3.92Å; F205-W212 AromaticContact CD2-CD2 3.74Å; F205-W212 HydrophobicContact CD2-CD2 3.74Å; F205-W212 AromaticContact CD2-CE2 3.57Å; F205-W212 HydrophobicContact CD2-CE3 4.36Å; F205-W212 AromaticContact CD2-CG 3.95Å; F205-W212 HydrophobicContact CD2-CG 3.95Å; F205-W212 HydrophobicContact CD2-CZ2 4.04Å; F205-W212 AromaticContact CD2-NE1 3.66Å; F205-W212 AromaticContact CE2-NE1 3.92Å; F205-W212 HydrophobicContact CG-CD2 4.29Å; F205-W212 HydrophobicContact CG-CE3 4.49Å; F205-W212 HydrophobicContact CG-CH2 4.43Å; F205-W212 HydrophobicContact CG-CZ2 4.23Å
213	Y	75.8	Confident	73.5	Confident	7 Å²	7	51.6 Å²	51.6	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.2	-175.2	-58.3	-101	0	0	0	111.4	L193 L203 S204 C206 L211 C217 L218 H222	L193-Y213 HydrophobicContact CD1-CD1 3.75Å; L193-Y213 HydrophobicContact CD1-CE1 3.54Å; L203-Y213 PolarHBondContact N-O 2.7Å; S204-Y213 PolarHBondContact N-O 2.8Å; S204-Y213 PolarHBondContact O-N 3.08Å; C206-Y213 HydrophobicContact CB-CE2 3.93Å; L211-Y213 HydrophobicContact CB-CD2 4.44Å; L211-Y213 HydrophobicContact CB-CE2 3.64Å; L211-Y213 WeakPolarHBondContact O-CD2 3.45Å; L211-Y213 WeakPolarHBondContact O-CE2 3.34Å; Y213-C217 HydrophobicContact CD1-CB 4.48Å; Y213-L218 HydrophobicContact CD1-CB 4.44Å; Y213-L218 HydrophobicContact CD1-CD1 4.15Å; Y213-L218 HydrophobicContact CD2-CD1 3.89Å; Y213-L218 HydrophobicContact CG-CB 4.33Å; Y213-L218 HydrophobicContact CG-CD1 3.7Å; Y213-H222 HydrophobicContact CD1-CB 4.4Å; Y213-H222 HydrophobicContact CE1-CB 3.82Å; Y213-H222 AromaticContact CZ-CD2 3.86Å
214	C	79	Confident	73.6	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.02	27%	0.266	C	S	.	.			trans	-80.6	165.4	156.4	71.9	0	0	0	0	110.4	C191 I200 T216 C217 L218	C191-C214 HydrophobicContact CB-CB 3.97Å; C191-C214 PolarHBondContact SG-N 3.07Å; I200-C214 HydrophobicContact CG2-CB 3.39Å; C214-T216 PolarHBondContact O-N 3.42Å; C214-T216 VanDerWaalsContact O-N 3.08Å; C214-C217 PolarHBondContact O-N 3.35Å; C214-C217 PolarHBondContact SG-N 2.75Å; C214-C217 VanDerWaalsContact SG-N 3.39Å; C214-L218 WeakPolarHBondContact O-CB 3.5Å; C214-L218 PolarHBondContact O-N 2.83Å
215	K	73.4	Confident	73.5	Confident	149 Å²	149	55.4 Å²	55.4	65%	0.648	28%	0.28	S	S	*	.	H	α-helix	trans	-52.9	-33.1	-179	-169	173.7	-176.6	176.8	0	113.6	L203	L203-K215 HydrophobicContact CD1-CB 4.09Å
216	T	73	Confident	72.7	Confident	93 Å²	93	63.6 Å²	63.6	57%	0.571	32%	0.319	S	S	*	.	H	α-helix	trans	-78.2	-52.8	179	-43.5	0	0	0	0	111.7	C214 L218 K219 L220	C214-T216 PolarHBondContact O-N 3.42Å; C214-T216 VanDerWaalsContact O-N 3.08Å; T216-L218 VanDerWaalsContact C-N 3.27Å; T216-L218 PolarHBondContact O-N 2.98Å; T216-K219 PolarHBondContact O-N 2.91Å; T216-K219 VanDerWaalsContact O-N 3.14Å; T216-L220 HydrophobicContact CG2-CD1 4.01Å; T216-L220 WeakPolarHBondContact O-CG 3.39Å; T216-L220 PolarHBondContact O-N 3.04Å
217	C	75.2	Confident	71.7	Confident	10 Å²	10	68.3 Å²	68.3	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-66.1	-27.8	-179.5	-68	0	0	0	0	113.1	L193 Y213 C214 W221	L193-C217 HydrophobicContact CB-CB 4.14Å; L193-C217 HydrophobicContact CD1-CB 4.25Å; Y213-C217 HydrophobicContact CD1-CB 4.48Å; C214-C217 PolarHBondContact O-N 3.35Å; C214-C217 PolarHBondContact SG-N 2.75Å; C214-C217 VanDerWaalsContact SG-N 3.39Å; C217-W221 WeakPolarHBondContact O-CB 3.22Å; C217-W221 PolarHBondContact O-N 2.74Å
218	L	78.1	Confident	71.4	Confident	30 Å²	30	66 Å²	66	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-47.6	171.3	-168.8	77.1	0	0	0	110.7	Y213 C214 T216 H222 I233	Y213-L218 HydrophobicContact CD1-CB 4.44Å; Y213-L218 HydrophobicContact CD1-CD1 4.15Å; Y213-L218 HydrophobicContact CD2-CD1 3.89Å; Y213-L218 HydrophobicContact CG-CB 4.33Å; Y213-L218 HydrophobicContact CG-CD1 3.7Å; C214-L218 WeakPolarHBondContact O-CB 3.5Å; C214-L218 PolarHBondContact O-N 2.83Å; T216-L218 VanDerWaalsContact C-N 3.27Å; T216-L218 PolarHBondContact O-N 2.98Å; L218-H222 HydrophobicContact CD1-CB 3.96Å; L218-H222 HydrophobicContact CG-CB 4.48Å; L218-H222 CarbonylContact O-C 3.6Å; L218-H222 WeakPolarHBondContact O-CA 3.47Å; L218-H222 WeakPolarHBondContact O-CB 3.47Å; L218-H222 PolarHBondContact O-N 3.31Å; L218-I233 HydrophobicContact CD1-CD1 4.11Å; L218-I233 HydrophobicContact CD1-CG2 4.3Å; L218-I233 HydrophobicContact CD2-CD1 4.44Å; L218-I233 HydrophobicContact CD2-CG2 4.36Å
219	K	72.9	Confident	71.1	Confident	161 Å²	161	70 Å²	70	70%	0.7	35%	0.352	S	S	*	.	H	α-helix	trans	-66.3	-38.8	178.9	-72.9	-169.9	171.9	-162.4	0	113.2	T216	T216-K219 PolarHBondContact O-N 2.91Å; T216-K219 VanDerWaalsContact O-N 3.14Å
220	L	68.5	Low	71.1	Confident	107 Å²	107	79.4 Å²	79.4	56%	0.56	39%	0.393	S	S	*	.	H	α-helix	trans	-77.1	-41	-177.6	-66.8	173.3	0	0	0	113.1	T216	T216-L220 HydrophobicContact CG2-CD1 4.01Å; T216-L220 WeakPolarHBondContact O-CG 3.39Å; T216-L220 PolarHBondContact O-N 3.04Å
221	W	65.5	Low	71.2	Confident	73 Å²	73	77.8 Å²	77.8	28%	0.277	38%	0.383	S	S	.	.	H	α-helix	trans	-122.7	3.8	-167.2	-48.4	116.6	0	0	0	114	L193 C217 P223 L282	L193-W221 HydrophobicContact CD1-CB 3.75Å; L193-W221 HydrophobicContact CD1-CG 4.11Å; C217-W221 WeakPolarHBondContact O-CB 3.22Å; C217-W221 PolarHBondContact O-N 2.74Å; W221-P223 VanDerWaalsContact C-CD 3.49Å; W221-L282 HydrophobicContact CD2-CD1 4.23Å; W221-L282 HydrophobicContact CE3-CD1 4.05Å; W221-L282 HydrophobicContact CH2-CB 3.81Å; W221-L282 HydrophobicContact CH2-CD1 3.87Å; W221-L282 HydrophobicContact CH2-CG 4.32Å; W221-L282 HydrophobicContact CZ2-CB 4.15Å; W221-L282 HydrophobicContact CZ2-CD1 4.04Å; W221-L282 HydrophobicContact CZ3-CB 4.44Å; W221-L282 HydrophobicContact CZ3-CD1 3.87Å; W221-L282 HydrophobicContact CZ3-CD2 4.47Å
222	H	73.2	Confident	71.4	Confident	8 Å²	8	83.7 Å²	83.7	4%	0.037	40%	0.403	C	S	.	.	S	Bend	trans	-137.8	51.5	164.3	-163.1	-53.2	0	0	0	111.4	C206 C209 Y213 L218 H231	C206-H222 PolarHBondContact SG-NE2 2.88Å; C209-H222 VanDerWaalsContact SG-CD2 3.55Å; Y213-H222 HydrophobicContact CD1-CB 4.4Å; Y213-H222 HydrophobicContact CE1-CB 3.82Å; Y213-H222 AromaticContact CZ-CD2 3.86Å; L218-H222 HydrophobicContact CD1-CB 3.96Å; L218-H222 HydrophobicContact CG-CB 4.48Å; L218-H222 CarbonylContact O-C 3.6Å; L218-H222 WeakPolarHBondContact O-CA 3.47Å; L218-H222 WeakPolarHBondContact O-CB 3.47Å; L218-H222 PolarHBondContact O-N 3.31Å; H222-H231 AromaticContact CE1-ND1 3.93Å; H222-H231 AromaticContact NE2-CG 3.92Å; H222-H231 AromaticContact NE2-ND1 3.38Å; H222-H231 PolarHBondContact NE2-ND1 2.89Å
223	P	67.7	Low	71.5	Confident	47 Å²	47	83.8 Å²	83.8	31%	0.305	41%	0.408	S	S	.	.			trans	-63.4	149.2	172.9	29.6	-35.5	0	0	0	110.7	W221 T225	W221-P223 VanDerWaalsContact C-CD 3.49Å; P223-T225 HydrophobicContact CB-CG2 4.29Å; P223-T225 HydrophobicContact CG-CG2 4Å; P223-T225 PolarHBondContact O-N 3.19Å; P223-T225 PolarHBondContact O-OG1 3.3Å
224	P	65	Low	71.4	Confident	106 Å²	106	84.2 Å²	84.2	69%	0.688	41%	0.411	S	S	*	.			trans	-72.4	72.1	177.9	31.9	-35.9	0	0	0	111	M229	P224-M229 HydrophobicContact CB-SD 4.32Å
225	T	68.4	Low	70.7	Confident	69 Å²	69	86.7 Å²	86.7	42%	0.423	43%	0.429	S	S	.	.			trans	-94.2	162.7	173.6	51.5	0	0	0	0	110	P223 M227 L228 M229	P223-T225 HydrophobicContact CB-CG2 4.29Å; P223-T225 HydrophobicContact CG-CG2 4Å; P223-T225 PolarHBondContact O-N 3.19Å; P223-T225 PolarHBondContact O-OG1 3.3Å; T225-M227 PolarHBondContact O-N 3.21Å; T225-L228 CarbonylContact O-C 3.51Å; T225-L228 PolarHBondContact O-N 3.03Å; T225-M229 WeakPolarHBondContact O-CG 3.38Å; T225-M229 PolarHBondContact O-N 2.83Å
226	E	64.5	Low	69.9	Low	186 Å²	186	82.7 Å²	82.7	87%	0.869	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-39.9	-176.9	-169.9	-174.2	179.1	0	0	114	L228	E226-L228 PolarHBondContact O-N 3.4Å
227	M	60.2	Low	69	Low	99 Å²	99	84.4 Å²	84.4	49%	0.488	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-17	179.6	-64.2	-126.2	68.9	0	0	114.9	T225 K338	T225-M227 PolarHBondContact O-N 3.21Å; M227-K338 HydrophobicContact CE-CD 4.34Å
228	L	67.3	Low	67.7	Low	18 Å²	18	90.5 Å²	90.5	9%	0.094	45%	0.449	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-12.6	-172.7	-58.5	-178.1	0	0	0	113.7	T225 E226 K230 H231 I334	T225-L228 CarbonylContact O-C 3.51Å; T225-L228 PolarHBondContact O-N 3.03Å; E226-L228 PolarHBondContact O-N 3.4Å; L228-K230 PolarHBondContact O-N 3.43Å; L228-K230 VanDerWaalsContact O-N 3.12Å; L228-H231 VanDerWaalsContact CD2-CE1 3.47Å; L228-H231 WeakPolarHBondContact CD2-CE1 3.42Å; L228-H231 VanDerWaalsContact O-CB 3.29Å; L228-H231 WeakPolarHBondContact O-CB 3.44Å; L228-H231 PolarHBondContact O-N 3.19Å; L228-I334 HydrophobicContact CD2-CD1 3.89Å
229	M	71.7	Confident	66.1	Low	133 Å²	133	94.7 Å²	94.7	66%	0.655	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-31.1	-178	-78.7	-109.3	-74.8	0	0	114.3	P224 T225	P224-M229 HydrophobicContact CB-SD 4.32Å; T225-M229 WeakPolarHBondContact O-CG 3.38Å; T225-M229 PolarHBondContact O-N 2.83Å
230	K	71.3	Confident	64.3	Low	200 Å²	200	93.9 Å²	93.9	87%	0.87	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	14.5	-179.6	-58.9	-167.8	178.7	-169.8	0	113.8	L228	L228-K230 PolarHBondContact O-N 3.43Å; L228-K230 VanDerWaalsContact O-N 3.12Å
231	H	75.6	Confident	62.7	Low	38 Å²	38	94.2 Å²	94.2	18%	0.176	48%	0.482	C	S	.	.			trans	-88.4	132.4	177.7	-72.5	-172.1	0	0	0	111.9	Q208 C209 H222 L228 I233	Q208-H231 HydrophobicContact CB-CB 4.36Å; Q208-H231 WeakPolarHBondContact CB-CD2 3.34Å; Q208-H231 WeakPolarHBondContact CB-NE2 3.24Å; C209-H231 PolarHBondContact SG-ND1 3.11Å; C209-H231 VanDerWaalsContact SG-ND1 3.43Å; H222-H231 AromaticContact CE1-ND1 3.93Å; H222-H231 AromaticContact NE2-CG 3.92Å; H222-H231 AromaticContact NE2-ND1 3.38Å; H222-H231 PolarHBondContact NE2-ND1 2.89Å; L228-H231 VanDerWaalsContact CD2-CE1 3.47Å; L228-H231 WeakPolarHBondContact CD2-CE1 3.42Å; L228-H231 VanDerWaalsContact O-CB 3.29Å; L228-H231 WeakPolarHBondContact O-CB 3.44Å; L228-H231 PolarHBondContact O-N 3.19Å; H231-I233 PolarHBondContact O-N 2.86Å
232	R	78.4	Confident	61	Low	151 Å²	151	97.8 Å²	97.8	57%	0.57	51%	0.506	S	S	*	.			trans	-82.1	115.6	176.9	-171.3	171.7	-174.8	-133.5	14.7	109.4	E207 Q208 T234	E207-R232 PolarHBondContact N-O 3.4Å; E207-R232 WeakPolarHBondContact OE1-CD 3.31Å; E207-R232 IonicContact OE1-CZ 2.69Å; E207-R232 IonicContact OE1-NE 2.76Å; E207-R232 IonicContact OE1-NH1 3.16Å; E207-R232 PolarHBondContact OE1-NH1 3.09Å; E207-R232 WeakPolarHBondContact OE2-CD 3.21Å; E207-R232 IonicContact OE2-NH1 2.89Å; Q208-R232 PolarHBondContact OE1-O 3.34Å; R232-T234 HydrophobicContact CG-CG2 4.36Å
233	I	76.9	Confident	59	Low	71 Å²	71	105.3 Å²	105.3	36%	0.364	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.7	175.5	-60.4	163.1	0	0	0	107.9	F205 C206 L218 H231	F205-I233 CarbonylContact O-C 3.55Å; F205-I233 VanDerWaalsContact O-CA 3.3Å; F205-I233 WeakPolarHBondContact O-CA 3.49Å; C206-I233 HydrophobicContact CB-CG1 4.47Å; L218-I233 HydrophobicContact CD1-CD1 4.11Å; L218-I233 HydrophobicContact CD1-CG2 4.3Å; L218-I233 HydrophobicContact CD2-CD1 4.44Å; L218-I233 HydrophobicContact CD2-CG2 4.36Å; H231-I233 PolarHBondContact O-N 2.86Å
234	T	74.4	Confident	57.5	Low	16 Å²	16	110.7 Å²	110.7	10%	0.098	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	130.5	176.4	55	0	0	0	0	110.7	F205 R232 H239	F205-T234 PolarHBondContact N-O 3.13Å; F205-T234 PolarHBondContact O-N 2.97Å; R232-T234 HydrophobicContact CG-CG2 4.36Å; T234-H239 WeakPolarHBondContact CB-NE2 3.5Å; T234-H239 WeakPolarHBondContact CG2-NE2 3.41Å; T234-H239 PolarHBondContact OG1-NE2 3.39Å
235	S	63.7	Low	55.9	Low	56 Å²	56	110.6 Å²	110.6	39%	0.392	56%	0.563	S	S	.	*			trans	-78.3	149.8	174.2	-173.7	0	0	0	0	111.7	L203 N237 N238	L203-S235 WeakPolarHBondContact O-CA 3.45Å; L203-S235 PolarHBondContact O-OG 2.75Å; S235-N237 PolarHBondContact O-N 2.74Å; S235-N237 VanDerWaalsContact O-N 3.17Å; S235-N238 PolarHBondContact O-N 3.47Å
236	F	57	Low	54.1	Low	64 Å²	64	112.7 Å²	112.7	28%	0.281	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-52.9	-37.5	-175.5	-179.2	-98.5	0	0	0	113.5	L186 I189 N238 H239	L186-F236 HydrophobicContact CB-CZ 4.37Å; I189-F236 HydrophobicContact CD1-CE2 4.45Å; F236-N238 PolarHBondContact O-N 3.05Å; F236-N238 VanDerWaalsContact O-N 3.12Å; F236-H239 PolarHBondContact O-N 3.05Å
237	N	53.1	Low	52.6	Low	130 Å²	130	112.6 Å²	112.6	70%	0.695	58%	0.577	S	S	*	*	G	3₁₀ helix	trans	-66.5	-14.5	-174.7	-67	14.1	0	0	0	114.9	S235	S235-N237 PolarHBondContact O-N 2.74Å; S235-N237 VanDerWaalsContact O-N 3.17Å
238	N	48.4	Very low	51.3	Low	137 Å²	137	113.7 Å²	113.7	73%	0.733	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-99.2	0.1	-173.9	-71.4	16.8	0	0	0	114.4	S235 F236	S235-N238 PolarHBondContact O-N 3.47Å; F236-N238 PolarHBondContact O-N 3.05Å; F236-N238 VanDerWaalsContact O-N 3.12Å
239	H	44.5	Very low	49.5	Very low	118 Å²	118	119.6 Å²	119.6	55%	0.546	61%	0.611	S	S	.	*			trans	-106.6	59.5	-177.5	-85.8	-77.2	0	0	0	113.4	T234 F236	T234-H239 WeakPolarHBondContact CB-NE2 3.5Å; T234-H239 WeakPolarHBondContact CG2-NE2 3.41Å; T234-H239 PolarHBondContact OG1-NE2 3.39Å; F236-H239 PolarHBondContact O-N 3.05Å
240	N	36	Very low	47.4	Very low	145 Å²	145	121.9 Å²	121.9	78%	0.775	62%	0.622	S	S	*	*			trans	-90.4	120	161.6	-99.8	-30.9	0	0	0	110.1
241	S	33.3	Very low	45.6	Very low	113 Å²	113	116.8 Å²	116.8	79%	0.79	61%	0.608	S	S	*	*	S	Bend	trans	57.7	74.7	164.9	-58.9	0	0	0	0	118.4
242	L	30.9	Very low	43.9	Very low	148 Å²	148	122.8 Å²	122.8	78%	0.775	64%	0.636	S	S	*	*			trans	-153.4	116.5	144.1	-103	179.1	0	0	0	113	Y244	L242-Y244 PolarHBondContact O-N 2.96Å
243	L	30.8	Very low	42.2	Very low	166 Å²	166	120.1 Å²	120.1	87%	0.869	64%	0.637	S	S	*	*			trans	43.3	62.9	151.4	-59.5	175.5	0	0	0	120
244	Y	35.4	Very low	41.2	Very low	160 Å²	160	122.9 Å²	122.9	63%	0.627	66%	0.657	S	S	*	*			trans	-98	108.9	147	-97.3	-93.7	0	0	0	110.1	L242	L242-Y244 PolarHBondContact O-N 2.96Å
245	S	32.1	Very low	40.5	Very low	104 Å²	104	123.5 Å²	123.5	73%	0.727	67%	0.666	S	S	*	*			trans	-76.9	136.7	174.5	-175.2	0	0	0	0	110.4	K247	S245-K247 VanDerWaalsContact C-N 3.25Å; S245-K247 PolarHBondContact O-N 3.36Å
246	S	30.2	Very low	40.8	Very low	113 Å²	113	123.8 Å²	123.8	79%	0.79	67%	0.667	S	S	*	*	S	Bend	trans	-71.2	64.1	-168.4	-49.5	0	0	0	0	114.6
247	K	34.2	Very low	41.6	Very low	185 Å²	185	126.4 Å²	126.4	80%	0.804	68%	0.683	S	S	*	*			trans	-127.7	14.5	178.5	-81.3	-169.5	171.7	-176.6	0	114.6	S245	S245-K247 VanDerWaalsContact C-N 3.25Å; S245-K247 PolarHBondContact O-N 3.36Å
248	Q	32.6	Very low	42.8	Very low	121 Å²	121	120.6 Å²	120.6	57%	0.565	65%	0.652	S	S	*	*			trans	-125.9	11.3	175	-80.1	-174.8	-30.6	0	0	114.4	T251	Q248-T251 HydrophobicContact CG-CG2 4.35Å
249	I	29.2	Very low	44.1	Very low	143 Å²	143	119.8 Å²	119.8	73%	0.733	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	126.5	160	-59.5	175.8	0	0	0	106.2
250	M	28.1	Very low	45.5	Very low	180 Å²	180	119.8 Å²	119.8	89%	0.887	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.7	53.6	-169.9	-52.1	-163.2	76.4	0	0	115.4	E252	M250-E252 PolarHBondContact O-N 3.41Å
251	T	32.7	Very low	47.3	Very low	94 Å²	94	115 Å²	115	58%	0.577	63%	0.626	S	S	*	*			trans	-70.9	114.8	146.1	52.4	0	0	0	0	108.4	Q248	Q248-T251 HydrophobicContact CG-CG2 4.35Å
252	E	39.3	Very low	49.3	Very low	163 Å²	163	115 Å²	115	76%	0.762	63%	0.625	S	S	*	*			trans	-49.9	145.3	160.4	-62.2	174.6	151	0	0	109.1	M250 T254	M250-E252 PolarHBondContact O-N 3.41Å; E252-T254 HydrophobicContact CB-CG2 4.23Å; E252-T254 PolarHBondContact O-N 3.05Å
253	V	44.3	Very low	51.2	Low	96 Å²	96	111.2 Å²	111.2	58%	0.582	62%	0.622	S	S	*	*			trans	-81	69.4	-170.9	-161.7	0	0	0	0	110.3	G255 V265	V253-G255 PolarHBondContact O-N 3.2Å; V253-V265 HydrophobicContact CB-CG2 4.08Å; V253-V265 HydrophobicContact CG1-CB 3.71Å; V253-V265 HydrophobicContact CG1-CG1 3.91Å; V253-V265 HydrophobicContact CG1-CG2 3.8Å
254	T	55.4	Low	53.2	Low	128 Å²	128	107.5 Å²	107.5	79%	0.785	60%	0.597	S	S	*	*			trans	-75.7	80.5	-173.1	60.1	0	0	0	0	112.3	E252	E252-T254 HydrophobicContact CB-CG2 4.23Å; E252-T254 PolarHBondContact O-N 3.05Å
255	G	60.2	Low	55.2	Low	29 Å²	29	101.3 Å²	101.3	30%	0.299	58%	0.576	S	S	.	*	S	Bend	trans	-144.6	172.5	168	0	0	0	0	0	110.6	V253 I257 V265	V253-G255 PolarHBondContact O-N 3.2Å; G255-I257 PolarHBondContact O-N 3.48Å; G255-V265 VanDerWaalsContact CA-CG1 3.47Å
256	P	68.9	Low	57.6	Low	63 Å²	63	96.6 Å²	96.6	41%	0.409	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-64	132.4	175.6	24.6	-29.4	0	0	0	110.4	C266 F276	P256-C266 HydrophobicContact CG-CB 4.25Å; P256-C266 PolarHBondContact O-N 3.29Å; P256-F276 HydrophobicContact CG-CB 4.03Å; P256-F276 HydrophobicContact CG-CD1 3.85Å; P256-F276 HydrophobicContact CG-CD2 4.32Å; P256-F276 HydrophobicContact CG-CE1 4.38Å; P256-F276 HydrophobicContact CG-CG 3.82Å
257	I	74.9	Confident	59.8	Low	118 Å²	118	95 Å²	95	61%	0.605	53%	0.526	S	S	*	.	B	Isolated β-bridge	trans	-68	140.7	172.5	-58.5	173.4	0	0	0	108.3	G255 T259	G255-I257 PolarHBondContact O-N 3.48Å; I257-T259 PolarHBondContact O-N 2.94Å
258	C	78	Confident	62	Low	8 Å²	8	87 Å²	87	5%	0.054	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-69.3	127.6	179.3	-172.1	0	0	0	0	111.3	H260 H261 Y264 C266 C278	C258-H260 PolarHBondContact O-N 3.15Å; C258-H260 PolarHBondContact SG-N 2.92Å; C258-H261 HydrophobicContact CB-CB 4.05Å; C258-H261 PolarHBondContact O-N 3.07Å; C258-Y264 WeakPolarHBondContact CB-O 3.33Å; C258-Y264 PolarHBondContact N-O 2.94Å; C258-C266 VanDerWaalsContact CA-SG 3.59Å; C258-C266 VanDerWaalsContact CB-SG 3.54Å; C258-C278 HydrophobicContact CB-CB 4.07Å; C258-C278 VanDerWaalsContact SG-SG 3.68Å
259	T	74.6	Confident	64.4	Low	121 Å²	121	82.3 Å²	82.3	74%	0.742	47%	0.469	S	S	*	.	S	Bend	trans	-62.7	-25	174.8	44.3	0	0	0	0	113.7	I257	I257-T259 PolarHBondContact O-N 2.94Å
260	H	73.9	Confident	67.1	Low	118 Å²	118	75.5 Å²	75.5	55%	0.546	43%	0.434	S	S	.	.	S	Bend	trans	-103.9	-15.7	-177.1	-54	-74.3	0	0	0	113.4	C258	C258-H260 PolarHBondContact O-N 3.15Å; C258-H260 PolarHBondContact SG-N 2.92Å
261	H	74.6	Confident	69.6	Low	45 Å²	45	69.3 Å²	69.3	21%	0.208	40%	0.404	C	S	.	.	S	Bend	trans	-136	88.9	-175.2	-57.1	106.6	0	0	0	109.5	C258 G263 Y264 R280 C281	C258-H261 HydrophobicContact CB-CB 4.05Å; C258-H261 PolarHBondContact O-N 3.07Å; H261-G263 PolarHBondContact O-N 2.78Å; H261-Y264 HydrophobicContact CB-CD2 3.86Å; H261-Y264 HydrophobicContact CB-CG 4.2Å; H261-Y264 WeakPolarHBondContact O-CB 3.47Å; H261-Y264 PolarHBondContact O-N 2.81Å; H261-Y264 VanDerWaalsContact O-N 3.1Å; H261-R280 HydrophobicContact CB-CB 4.15Å; H261-R280 VanDerWaalsContact CD2-CB 3.48Å; H261-R280 WeakPolarHBondContact CD2-CB 3.43Å; H261-R280 VanDerWaalsContact CG-CB 3.5Å; H261-C281 VanDerWaalsContact CE1-SG 3.57Å; H261-C281 PolarHBondContact ND1-SG 3.26Å
262	S	74.7	Confident	71.9	Confident	111 Å²	111	68.6 Å²	68.6	78%	0.776	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	136.7	-177	48.5	0	0	0	0	112	Y264	S262-Y264 WeakPolarHBondContact O-CD2 3.28Å; S262-Y264 PolarHBondContact O-N 3.35Å
263	G	71.5	Confident	74	Confident	70 Å²	70	62.4 Å²	62.4	72%	0.722	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	-15.8	-175.9	0	0	0	0	0	115.8	H261	H261-G263 PolarHBondContact O-N 2.78Å
264	Y	73.1	Confident	75.9	Confident	87 Å²	87	61.3 Å²	61.3	34%	0.341	37%	0.371	S	S	.	.			trans	-86.8	138.7	176.4	-68.5	-98.3	0	0	0	111.6	E195 C258 H261 S262 R280	E195-Y264 WeakPolarHBondContact OE1-CE1 3.4Å; C258-Y264 WeakPolarHBondContact CB-O 3.33Å; C258-Y264 PolarHBondContact N-O 2.94Å; H261-Y264 HydrophobicContact CB-CD2 3.86Å; H261-Y264 HydrophobicContact CB-CG 4.2Å; H261-Y264 WeakPolarHBondContact O-CB 3.47Å; H261-Y264 PolarHBondContact O-N 2.81Å; H261-Y264 VanDerWaalsContact O-N 3.1Å; S262-Y264 WeakPolarHBondContact O-CD2 3.28Å; S262-Y264 PolarHBondContact O-N 3.35Å; Y264-R280 HydrophobicContact CD1-CG 4Å; Y264-R280 HydrophobicContact CD2-CG 4.32Å; Y264-R280 HydrophobicContact CE1-CG 3.72Å; Y264-R280 HydrophobicContact CE2-CG 4.07Å; Y264-R280 HydrophobicContact CG-CG 4.3Å; Y264-R280 PolarHBondContact OH-NE 2.73Å; Y264-R280 PolarHBondContact OH-NH2 3Å
265	V	76.8	Confident	77.2	Confident	30 Å²	30	58.4 Å²	58.4	18%	0.182	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-101.6	134.9	179.5	179.4	0	0	0	0	111.4	V253 G255 N267	V253-V265 HydrophobicContact CB-CG2 4.08Å; V253-V265 HydrophobicContact CG1-CB 3.71Å; V253-V265 HydrophobicContact CG1-CG1 3.91Å; V253-V265 HydrophobicContact CG1-CG2 3.8Å; G255-V265 VanDerWaalsContact CA-CG1 3.47Å; V265-N267 PolarHBondContact O-N 3.29Å; V265-N267 VanDerWaalsContact O-N 3.1Å
266	C	81.7	Confident	78.2	Confident	5 Å²	5	62 Å²	62	3%	0.034	36%	0.357	C	S	.	.			trans	-83	81.7	-178.7	-64.5	0	0	0	0	112.6	P256 C258 L268 F276 V277 C278	P256-C266 HydrophobicContact CG-CB 4.25Å; P256-C266 PolarHBondContact O-N 3.29Å; C258-C266 VanDerWaalsContact CA-SG 3.59Å; C258-C266 VanDerWaalsContact CB-SG 3.54Å; C266-L268 VanDerWaalsContact C-N 3.27Å; C266-F276 HydrophobicContact CB-CB 3.69Å; C266-V277 CarbonylContact C-O 3.08Å; C266-V277 VanDerWaalsContact CA-O 3.23Å; C266-V277 WeakPolarHBondContact CA-O 3.09Å; C266-V277 WeakPolarHBondContact CB-O 3.46Å; C266-C278 PolarHBondContact SG-N 2.93Å; C266-C278 VanDerWaalsContact SG-N 3.39Å
267	N	76.9	Confident	78.8	Confident	81 Å²	81	59.1 Å²	59.1	43%	0.433	34%	0.338	S	S	.	.			trans	-82.8	1	174.5	-69.8	-39.4	0	0	0	114.1	V265 T332	V265-N267 PolarHBondContact O-N 3.29Å; V265-N267 VanDerWaalsContact O-N 3.1Å; N267-T332 PolarHBondContact O-N 3.05Å; N267-T332 PolarHBondContact O-OG1 3.35Å
268	L	81.4	Confident	79.1	Confident	17 Å²	17	53.5 Å²	53.5	9%	0.089	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157.5	178	-57.2	178.5	0	0	0	110.8	C266 F276 V277 L279 L282 V329 C330	C266-L268 VanDerWaalsContact C-N 3.27Å; L268-F276 WeakPolarHBondContact O-CA 3.21Å; L268-V277 HydrophobicContact CB-CG2 3.86Å; L268-V277 WeakPolarHBondContact CB-O 3.29Å; L268-V277 PolarHBondContact N-O 2.84Å; L268-V277 PolarHBondContact O-N 3.05Å; L268-L279 HydrophobicContact CD1-CD2 3.96Å; L268-L282 HydrophobicContact CD1-CD1 3.62Å; L268-L282 HydrophobicContact CD1-CG 4.45Å; L268-V329 HydrophobicContact CB-CG1 3.77Å; L268-V329 HydrophobicContact CD1-CG1 4.14Å; L268-V329 HydrophobicContact CG-CG1 4.46Å; L268-C330 CarbonylContact C-O 3.59Å; L268-C330 WeakPolarHBondContact CA-O 3.32Å
269	Y	83	Confident	78.9	Confident	22 Å²	22	55.4 Å²	55.4	9%	0.086	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.1	177.6	-171.9	-91.7	0	0	0	109.7	I271 S274 F276 V329 C330 Y335	Y269-I271 HydrophobicContact CD1-CG1 4.17Å; Y269-I271 PolarHBondContact O-N 3.49Å; Y269-S274 WeakPolarHBondContact OH-CA 3.34Å; Y269-S274 PolarHBondContact OH-O 3.5Å; Y269-F276 HydrophobicContact CD2-CD1 4.34Å; Y269-F276 HydrophobicContact CD2-CD2 4.46Å; Y269-F276 HydrophobicContact CD2-CE1 4.44Å; Y269-F276 HydrophobicContact CD2-CG 4.35Å; Y269-V329 WeakPolarHBondContact O-CA 3.36Å; Y269-C330 PolarHBondContact N-O 3.37Å; Y269-C330 PolarHBondContact O-N 3.14Å; Y269-Y335 AromaticContact CD1-CD1 3.77Å; Y269-Y335 HydrophobicContact CD1-CD1 3.77Å; Y269-Y335 AromaticContact CD1-CD2 3.52Å; Y269-Y335 HydrophobicContact CD1-CD2 3.52Å; Y269-Y335 AromaticContact CD1-CE1 4Å; Y269-Y335 HydrophobicContact CD1-CE1 4Å; Y269-Y335 AromaticContact CD1-CE2 3.76Å; Y269-Y335 HydrophobicContact CD1-CE2 3.76Å; Y269-Y335 AromaticContact CD1-CG 3.52Å; Y269-Y335 HydrophobicContact CD1-CG 3.52Å; Y269-Y335 AromaticContact CD1-CZ 3.99Å; Y269-Y335 HydrophobicContact CD2-CD1 4.25Å; Y269-Y335 AromaticContact CE1-CD1 3.75Å; Y269-Y335 HydrophobicContact CE1-CD1 3.75Å; Y269-Y335 AromaticContact CE1-CD2 3.67Å; Y269-Y335 HydrophobicContact CE1-CD2 3.67Å; Y269-Y335 AromaticContact CE1-CE1 3.46Å; Y269-Y335 HydrophobicContact CE1-CE1 3.46Å; Y269-Y335 VanDerWaalsContact CE1-CE1 3.46Å; Y269-Y335 AromaticContact CE1-CE2 3.38Å; Y269-Y335 HydrophobicContact CE1-CE2 3.38Å; Y269-Y335 AromaticContact CE1-CG 3.85Å; Y269-Y335 HydrophobicContact CE1-CG 3.85Å; Y269-Y335 AromaticContact CE1-CZ 3.27Å; Y269-Y335 HydrophobicContact CE2-CD1 4.24Å; Y269-Y335 HydrophobicContact CE2-CE1 4.1Å; Y269-Y335 HydrophobicContact CG-CD1 4.01Å; Y269-Y335 HydrophobicContact CG-CD2 4.39Å; Y269-Y335 AromaticContact CG-CG 3.95Å; Y269-Y335 HydrophobicContact CG-CG 3.95Å; Y269-Y335 AromaticContact CZ-CD1 3.97Å; Y269-Y335 AromaticContact CZ-CE1 3.5Å; Y269-Y335 VanDerWaalsContact CZ-CE1 3.5Å; Y269-Y335 AromaticContact CZ-CZ 3.65Å; Y269-Y335 PolarHBondContact OH-OH 2.78Å
270	C	85.4	Confident	79	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	107.5	173.5	-177.5	0	0	0	0	108.8	T272 C273 S274 M275 V277 H324 V329	C270-T272 VanDerWaalsContact C-N 3.33Å; C270-C273 HydrophobicContact CB-CB 4.2Å; C270-C273 PolarHBondContact O-N 2.95Å; C270-C273 PolarHBondContact SG-N 2.79Å; C270-C273 VanDerWaalsContact SG-N 3.39Å; C270-S274 WeakPolarHBondContact O-CA 3.25Å; C270-S274 PolarHBondContact O-N 3.05Å; C270-M275 PolarHBondContact N-O 3.06Å; C270-M275 PolarHBondContact O-N 3.44Å; C270-V277 HydrophobicContact CB-CG1 3.8Å; C270-V277 HydrophobicContact CB-CG2 4.21Å; C270-H324 PolarHBondContact SG-ND1 3.24Å; C270-V329 HydrophobicContact CB-CG2 4.16Å
271	I	80.5	Confident	79.3	Confident	50 Å²	50	47.2 Å²	47.2	26%	0.256	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-41.6	178.4	-57	-178.9	0	0	0	109.7	Y269 C273 S274 T328 Y335	Y269-I271 HydrophobicContact CD1-CG1 4.17Å; Y269-I271 PolarHBondContact O-N 3.49Å; I271-C273 VanDerWaalsContact C-N 3.28Å; I271-C273 PolarHBondContact O-N 3.3Å; I271-S274 PolarHBondContact O-N 3.35Å; I271-T328 HydrophobicContact CB-CG2 4.45Å; I271-T328 WeakPolarHBondContact CB-O 3.08Å; I271-T328 HydrophobicContact CD1-CG2 4.17Å; I271-T328 PolarHBondContact N-O 3.12Å; I271-Y335 HydrophobicContact CD1-CD2 4.42Å; I271-Y335 HydrophobicContact CG1-CD2 4.15Å; I271-Y335 HydrophobicContact CG1-CE2 4.27Å
272	T	81.2	Confident	79.1	Confident	78 Å²	78	45.2 Å²	45.2	48%	0.479	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-36.1	179.1	-49.3	0	0	0	0	113	C270 T328	C270-T272 VanDerWaalsContact C-N 3.33Å; T272-T328 PolarHBondContact OG1-N 2.83Å
273	C	83.1	Confident	78.4	Confident	34 Å²	34	44 Å²	44	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	0.6	179.8	-53.8	0	0	0	0	113.4	C270 I271 M275 H324 H327	C270-C273 HydrophobicContact CB-CB 4.2Å; C270-C273 PolarHBondContact O-N 2.95Å; C270-C273 PolarHBondContact SG-N 2.79Å; C270-C273 VanDerWaalsContact SG-N 3.39Å; I271-C273 VanDerWaalsContact C-N 3.28Å; I271-C273 PolarHBondContact O-N 3.3Å; C273-M275 HydrophobicContact CB-CG 3.83Å; C273-M275 HydrophobicContact CB-SD 3.78Å; C273-M275 PolarHBondContact O-N 3.48Å; C273-H324 VanDerWaalsContact SG-CE1 3.55Å; C273-H324 PolarHBondContact SG-ND1 3.34Å; C273-H324 VanDerWaalsContact SG-ND1 3.44Å; C273-H327 VanDerWaalsContact SG-CE1 3.5Å; C273-H327 PolarHBondContact SG-ND1 3.23Å; C273-H327 VanDerWaalsContact SG-ND1 3.41Å
274	S	83.6	Confident	77.6	Confident	72 Å²	72	42.9 Å²	42.9	50%	0.503	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	32.8	-174.2	-60.2	0	0	0	0	115.5	Y269 C270 I271	Y269-S274 WeakPolarHBondContact OH-CA 3.34Å; Y269-S274 PolarHBondContact OH-O 3.5Å; C270-S274 WeakPolarHBondContact O-CA 3.25Å; C270-S274 PolarHBondContact O-N 3.05Å; I271-S274 PolarHBondContact O-N 3.35Å
275	M	82.9	Confident	76.1	Confident	67 Å²	67	45.9 Å²	45.9	33%	0.33	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	157.4	-172.1	75.2	-166.6	-68.6	0	0	114.5	C270 C273 V277	C270-M275 PolarHBondContact N-O 3.06Å; C270-M275 PolarHBondContact O-N 3.44Å; C273-M275 HydrophobicContact CB-CG 3.83Å; C273-M275 HydrophobicContact CB-SD 3.78Å; C273-M275 PolarHBondContact O-N 3.48Å; M275-V277 HydrophobicContact CG-CG1 4.03Å
276	F	82	Confident	74.4	Confident	106 Å²	106	49.1 Å²	49.1	47%	0.465	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.7	173.6	-70.6	-86.8	0	0	0	111	P256 C266 L268 Y269 T332	P256-F276 HydrophobicContact CG-CB 4.03Å; P256-F276 HydrophobicContact CG-CD1 3.85Å; P256-F276 HydrophobicContact CG-CD2 4.32Å; P256-F276 HydrophobicContact CG-CE1 4.38Å; P256-F276 HydrophobicContact CG-CG 3.82Å; C266-F276 HydrophobicContact CB-CB 3.69Å; L268-F276 WeakPolarHBondContact O-CA 3.21Å; Y269-F276 HydrophobicContact CD2-CD1 4.34Å; Y269-F276 HydrophobicContact CD2-CD2 4.46Å; Y269-F276 HydrophobicContact CD2-CE1 4.44Å; Y269-F276 HydrophobicContact CD2-CG 4.35Å; F276-T332 HydrophobicContact CD1-CG2 3.59Å; F276-T332 HydrophobicContact CE1-CG2 3.58Å
277	V	80.8	Confident	72.2	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.4	-178.4	-59.2	0	0	0	0	111.5	C266 L268 C270 M275 C281 L282 V329	C266-V277 CarbonylContact C-O 3.08Å; C266-V277 VanDerWaalsContact CA-O 3.23Å; C266-V277 WeakPolarHBondContact CA-O 3.09Å; C266-V277 WeakPolarHBondContact CB-O 3.46Å; L268-V277 HydrophobicContact CB-CG2 3.86Å; L268-V277 WeakPolarHBondContact CB-O 3.29Å; L268-V277 PolarHBondContact N-O 2.84Å; L268-V277 PolarHBondContact O-N 3.05Å; C270-V277 HydrophobicContact CB-CG1 3.8Å; C270-V277 HydrophobicContact CB-CG2 4.21Å; M275-V277 HydrophobicContact CG-CG1 4.03Å; V277-C281 HydrophobicContact CB-CB 3.82Å; V277-C281 HydrophobicContact CG1-CB 4.35Å; V277-L282 HydrophobicContact CG2-CD2 4.37Å; V277-V329 HydrophobicContact CG2-CG1 4.1Å
278	C	81.8	Confident	70	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.007	32%	0.318	C	S	.	.			trans	-97.3	-177.7	174.3	73.4	0	0	0	0	111	C258 C266 C281	C258-C278 HydrophobicContact CB-CB 4.07Å; C258-C278 VanDerWaalsContact SG-SG 3.68Å; C266-C278 PolarHBondContact SG-N 2.93Å; C266-C278 VanDerWaalsContact SG-N 3.39Å; C278-C281 WeakPolarHBondContact O-CB 3.36Å; C278-C281 PolarHBondContact O-N 3.49Å; C278-C281 VanDerWaalsContact SG-SG 3.63Å
279	L	73.5	Confident	67.7	Low	47 Å²	47	71.9 Å²	71.9	25%	0.246	35%	0.354	C	S	.	.	S	Bend	trans	-67	-38.9	-179.4	-61.4	176.5	0	0	0	112.6	L193 L268 C281 L282	L193-L279 HydrophobicContact CD2-CD2 3.64Å; L268-L279 HydrophobicContact CD1-CD2 3.96Å; L279-C281 VanDerWaalsContact C-N 3.31Å; L279-C281 PolarHBondContact O-N 3.4Å; L279-L282 WeakPolarHBondContact O-CB 3.35Å; L279-L282 PolarHBondContact O-N 3.49Å
280	R	77.6	Confident	65.2	Low	63 Å²	63	77.5 Å²	77.5	24%	0.238	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-58.1	-40.3	174.7	-75.4	-78.2	165.5	142.1	-1.7	112.8	E195 H261 Y264 L282 N283 D286	E195-R280 WeakPolarHBondContact OE1-CG 3.24Å; E195-R280 IonicContact OE1-CZ 3.98Å; E195-R280 IonicContact OE1-NE 3.78Å; E195-R280 PolarHBondContact OE1-NE 2.89Å; E195-R280 IonicContact OE1-NH2 3.48Å; E195-R280 IonicContact OE2-CZ 3.04Å; E195-R280 VanDerWaalsContact OE2-CZ 3.26Å; E195-R280 IonicContact OE2-NE 3.92Å; E195-R280 PolarHBondContact OE2-NE 2.93Å; E195-R280 IonicContact OE2-NH2 2.95Å; E195-R280 PolarHBondContact OE2-NH2 3.16Å; H261-R280 HydrophobicContact CB-CB 4.15Å; H261-R280 VanDerWaalsContact CD2-CB 3.48Å; H261-R280 WeakPolarHBondContact CD2-CB 3.43Å; H261-R280 VanDerWaalsContact CG-CB 3.5Å; Y264-R280 HydrophobicContact CD1-CG 4Å; Y264-R280 HydrophobicContact CD2-CG 4.32Å; Y264-R280 HydrophobicContact CE1-CG 3.72Å; Y264-R280 HydrophobicContact CE2-CG 4.07Å; Y264-R280 HydrophobicContact CG-CG 4.3Å; Y264-R280 PolarHBondContact OH-NE 2.73Å; Y264-R280 PolarHBondContact OH-NH2 3Å; R280-L282 PolarHBondContact O-N 3.15Å; R280-N283 CarbonylContact O-C 3.58Å; R280-N283 PolarHBondContact O-N 3.36Å; R280-D286 IonicContact CZ-OD2 3.69Å; R280-D286 IonicContact NH1-OD1 3.71Å; R280-D286 PolarHBondContact NH1-OD1 2.76Å; R280-D286 IonicContact NH1-OD2 2.7Å; R280-D286 PolarHBondContact NH1-OD2 3.22Å
281	C	79.7	Confident	62.5	Low	5 Å²	5	84.3 Å²	84.3	3%	0.034	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-56.3	-21	175.3	-68.2	0	0	0	0	114.3	H261 V277 C278 L279 H324	H261-C281 VanDerWaalsContact CE1-SG 3.57Å; H261-C281 PolarHBondContact ND1-SG 3.26Å; V277-C281 HydrophobicContact CB-CB 3.82Å; V277-C281 HydrophobicContact CG1-CB 4.35Å; C278-C281 WeakPolarHBondContact O-CB 3.36Å; C278-C281 PolarHBondContact O-N 3.49Å; C278-C281 VanDerWaalsContact SG-SG 3.63Å; L279-C281 VanDerWaalsContact C-N 3.31Å; L279-C281 PolarHBondContact O-N 3.4Å; C281-H324 PolarHBondContact O-N 3.05Å
282	L	70.1	Confident	60	Low	3 Å²	3	89 Å²	89	2%	0.016	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-87.2	-30.3	176.8	-54.2	-176.3	0	0	0	113.1	W221 L268 V277 L279 R280 H324 V329	W221-L282 HydrophobicContact CD2-CD1 4.23Å; W221-L282 HydrophobicContact CE3-CD1 4.05Å; W221-L282 HydrophobicContact CH2-CB 3.81Å; W221-L282 HydrophobicContact CH2-CD1 3.87Å; W221-L282 HydrophobicContact CH2-CG 4.32Å; W221-L282 HydrophobicContact CZ2-CB 4.15Å; W221-L282 HydrophobicContact CZ2-CD1 4.04Å; W221-L282 HydrophobicContact CZ3-CB 4.44Å; W221-L282 HydrophobicContact CZ3-CD1 3.87Å; W221-L282 HydrophobicContact CZ3-CD2 4.47Å; L268-L282 HydrophobicContact CD1-CD1 3.62Å; L268-L282 HydrophobicContact CD1-CG 4.45Å; V277-L282 HydrophobicContact CG2-CD2 4.37Å; L279-L282 WeakPolarHBondContact O-CB 3.35Å; L279-L282 PolarHBondContact O-N 3.49Å; R280-L282 PolarHBondContact O-N 3.15Å; L282-H324 HydrophobicContact CD2-CB 4.16Å; L282-V329 HydrophobicContact CD2-CB 4.46Å; L282-V329 HydrophobicContact CD2-CG1 4.25Å; L282-V329 HydrophobicContact CD2-CG2 3.89Å
283	N	60.2	Low	57.8	Low	84 Å²	84	94.9 Å²	94.9	45%	0.449	47%	0.47	S	S	.	.			trans	-116.8	61.7	-165.2	-68.3	-17.8	0	0	0	111.1	R280 N285	R280-N283 CarbonylContact O-C 3.58Å; R280-N283 PolarHBondContact O-N 3.36Å; N283-N285 PolarHBondContact O-N 3.34Å
284	S	53.9	Low	55.2	Low	48 Å²	48	97.9 Å²	97.9	34%	0.336	49%	0.491	S	S	.	.			trans	-74.5	51.4	-176.6	65.8	0	0	0	0	114.3	S323	S284-S323 VanDerWaalsContact CB-CB 3.44Å; S284-S323 WeakPolarHBondContact OG-CB 3.47Å
285	N	41.9	Very low	52.5	Low	150 Å²	150	104.5 Å²	104.5	80%	0.802	51%	0.506	S	S	*	.			trans	-98.2	8.2	172.3	-90.9	3.8	0	0	0	113.2	N283 R287	N283-N285 PolarHBondContact O-N 3.34Å; N285-R287 PolarHBondContact O-N 3.12Å
286	D	41.5	Very low	50.2	Low	97 Å²	97	109.2 Å²	109.2	52%	0.519	53%	0.527	S	S	.	.			trans	-70.8	42	168.4	-71.3	-36.4	0	0	0	112.7	R280 N288	R280-D286 IonicContact CZ-OD2 3.69Å; R280-D286 IonicContact NH1-OD1 3.71Å; R280-D286 PolarHBondContact NH1-OD1 2.76Å; R280-D286 IonicContact NH1-OD2 2.7Å; R280-D286 PolarHBondContact NH1-OD2 3.22Å; D286-N288 PolarHBondContact O-N 3.36Å
287	R	34.6	Very low	47.5	Very low	232 Å²	232	110.3 Å²	110.3	88%	0.875	54%	0.538	S	S	*	.			trans	-82.5	49.1	160.7	-79.3	-167.2	173.2	-165.7	-0.3	110.5	N285	N285-R287 PolarHBondContact O-N 3.12Å
288	N	30.5	Very low	45.1	Very low	133 Å²	133	116.5 Å²	116.5	71%	0.711	57%	0.569	S	S	*	*			trans	-165.9	74.8	164.7	-103.3	-17.6	0	0	0	112.9	D286	D286-N288 PolarHBondContact O-N 3.36Å
289	Y	34.7	Very low	42.5	Very low	216 Å²	216	123.1 Å²	123.1	85%	0.847	61%	0.605	S	S	*	*			trans	-114.5	39.6	143.7	-101	-80.8	0	0	0	110.2	N291	Y289-N291 VanDerWaalsContact C-N 3.32Å; Y289-N291 PolarHBondContact O-N 2.99Å
290	N	29.8	Very low	40.5	Very low	141 Å²	141	125.9 Å²	125.9	75%	0.754	63%	0.628	S	S	*	*			trans	-89.3	71.5	167.2	-82.3	-7.1	0	0	0	109.7
291	N	29.6	Very low	38.1	Very low	143 Å²	143	127.1 Å²	127.1	77%	0.765	65%	0.646	S	S	*	*	S	Bend	trans	-158.7	155.7	154.2	-94.7	-26.2	0	0	0	108	Y289	Y289-N291 VanDerWaalsContact C-N 3.32Å; Y289-N291 PolarHBondContact O-N 2.99Å
292	D	27	Very low	35.8	Very low	149 Å²	149	134.3 Å²	134.3	80%	0.797	68%	0.679	S	S	*	*	S	Bend	trans	66.8	38.3	173.9	-56.4	-16.1	0	0	0	118.2
293	H	35.3	Very low	33.9	Very low	201 Å²	201	139.8 Å²	139.8	93%	0.931	71%	0.708	S	S	*	*			trans	-129.9	127.2	135.2	-85.2	-42.4	0	0	0	110.8
294	S	28.4	Very low	32.5	Very low	97 Å²	97	141.9 Å²	141.9	68%	0.678	72%	0.72	S	S	*	*			trans	-123.9	128.5	-151.8	60.3	0	0	0	0	113.3
295	Y	27.8	Very low	31.3	Very low	210 Å²	210	144.7 Å²	144.7	82%	0.824	73%	0.734	S	S	*	*			trans	63.1	155.7	173.4	-69.4	-105.8	0	0	0	115.2
296	H	32.8	Very low	30.6	Very low	167 Å²	167	142.9 Å²	142.9	77%	0.773	73%	0.729	S	S	*	*			cis	-130.7	169.9	8.2	-126.3	-77.6	0	0	0	111.9
297	N	26.2	Very low	29.9	Very low	129 Å²	129	143.9 Å²	143.9	69%	0.69	74%	0.739	S	S	*	*			trans	-116.6	163.4	-171.5	-178.9	22.3	0	0	0	112
298	I	30.1	Very low	29.6	Very low	130 Å²	130	137.7 Å²	137.7	67%	0.667	73%	0.731	S	S	*	*			trans	139.5	117.3	138.8	-71.8	160.9	0	0	0	115.1
299	N	28.5	Very low	29.4	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	73%	0.734	S	S	*	*			trans	33.9	158.5	134.9	-42.9	-12.7	0	0	0	121.4
300	S	29.8	Very low	28.9	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	73%	0.728	S	S	*	*			cis	-151.8	157.6	15.6	-169.3	0	0	0	0	113.2
301	S	27.7	Very low	28.7	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	73%	0.733	S	S	*	*			trans	-73.9	160.5	171.6	51.7	0	0	0	0	114.8
302	H	31.9	Very low	28.5	Very low	157 Å²	157	137.8 Å²	137.8	73%	0.727	74%	0.736	S	S	*	*				-172.3	129.6	115.6	-99	-64.8	0	0	0	114
303	N	30.8	Very low	28.6	Very low	117 Å²	117	136.4 Å²	136.4	63%	0.626	74%	0.737	S	S	*	*			trans	64.4	147.7	138.3	-67.2	35.3	0	0	0	120.8
304	D	28.9	Very low	28.1	Very low	129 Å²	129	134.3 Å²	134.3	69%	0.69	73%	0.733	S	S	*	*			cis	-160.8	163.6	-0	-120.7	-20.4	0	0	0	116.2
305	V	30	Very low	28	Very low	106 Å²	106	135.3 Å²	135.3	64%	0.642	74%	0.74	S	S	*	*			trans	69.2	98.1	141.9	170.7	0	0	0	0	121.5
306	T	27.5	Very low	27.9	Very low	113 Å²	113	132.7 Å²	132.7	69%	0.693	74%	0.739	S	S	*	*				43.6	149.8	124.6	71.8	0	0	0	0	122.7
307	T	26.8	Very low	27.9	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.724	74%	0.735	S	S	*	*			cis	-170	165.5	-1.7	17.8	0	0	0	0	110.8
308	S	26.8	Very low	28.4	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	74%	0.738	S	S	*	*			trans	72	144.5	154	74	0	0	0	0	117.8
309	N	27.8	Very low	28.7	Very low	145 Å²	145	130.3 Å²	130.3	78%	0.775	74%	0.742	S	S	*	*			cis	-148.1	168.6	-3.2	-120.4	-5.7	0	0	0	113.4
310	L	23.7	Very low	29.2	Very low	137 Å²	137	132.1 Å²	132.1	72%	0.717	75%	0.746	S	S	*	*			trans	-43.7	143.4	-177.9	-67.3	60.2	0	0	0	115.3
311	Y	25.8	Very low	30.1	Very low	221 Å²	221	128.8 Å²	128.8	87%	0.867	72%	0.722	S	S	*	*				-163.2	125.1	119.7	-96.3	-64.8	0	0	0	112.5
312	T	25.7	Very low	31.5	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	73%	0.725	S	S	*	*			trans	28.5	111	155.4	53.8	0	0	0	0	120.8
313	S	27.7	Very low	33.2	Very low	119 Å²	119	125.1 Å²	125.1	83%	0.832	70%	0.703	S	S	*	*			trans	-140.3	143.6	150.9	57.6	0	0	0	0	110.5	S315	S313-S315 PolarHBondContact O-N 3.05Å
314	N	26.4	Very low	35.2	Very low	157 Å²	157	119.7 Å²	119.7	84%	0.84	67%	0.674	S	S	*	*			trans	-84.1	115.6	-166.2	-71	-45.3	0	0	0	113	I316	N314-I316 PolarHBondContact O-N 3.33Å
315	S	24.7	Very low	37.1	Very low	119 Å²	119	118.9 Å²	118.9	83%	0.832	67%	0.668	S	S	*	*			trans	-79.3	80.8	170.6	52.1	0	0	0	0	111.9	S313	S313-S315 PolarHBondContact O-N 3.05Å
316	I	27.2	Very low	38.9	Very low	154 Å²	154	117.5 Å²	117.5	79%	0.79	68%	0.676	S	S	*	*			trans	-107.2	76.4	163.9	-53.3	-180	0	0	0	108.5	N314	N314-I316 PolarHBondContact O-N 3.33Å
317	S	32.2	Very low	41.4	Very low	99 Å²	99	114.5 Å²	114.5	69%	0.692	65%	0.654	S	S	*	*			trans	-81.9	133.8	162.6	44.7	0	0	0	0	109.5
318	P	36.3	Very low	43.9	Very low	116 Å²	116	113.1 Å²	113.1	75%	0.753	65%	0.646	S	S	*	*			trans	-67.5	141.4	171	29.4	-33.2	0	0	0	109.7	E320	P318-E320 PolarHBondContact O-N 3Å
319	H	36.8	Very low	46.3	Very low	161 Å²	161	109.9 Å²	109.9	75%	0.745	62%	0.621	S	S	*	*			trans	-57.8	104.5	-170.7	-76	-96	0	0	0	114.1	C321	H319-C321 HydrophobicContact CB-CB 4.47Å; H319-C321 PolarHBondContact O-N 3.26Å
320	E	39.2	Very low	48.6	Very low	179 Å²	179	104 Å²	104	84%	0.836	59%	0.591	S	S	*	*			trans	-72.6	66.4	154.7	-69	-165.4	130.7	0	0	110.2	P318 L322	P318-E320 PolarHBondContact O-N 3Å; E320-L322 HydrophobicContact CB-CD1 4.27Å; E320-L322 WeakPolarHBondContact O-CD1 3.5Å; E320-L322 PolarHBondContact O-N 2.94Å; E320-L322 VanDerWaalsContact O-N 3.09Å
321	C	47.3	Very low	51.3	Low	36 Å²	36	97.8 Å²	97.8	24%	0.243	56%	0.559	C	S	.	*			trans	-80.4	86.1	171.1	-96.5	0	0	0	0	109.9	H319 S323	H319-C321 HydrophobicContact CB-CB 4.47Å; H319-C321 PolarHBondContact O-N 3.26Å; C321-S323 WeakPolarHBondContact CB-O 3.5Å; C321-S323 PolarHBondContact O-N 3.01Å
322	L	59.1	Low	53.6	Low	131 Å²	131	88.8 Å²	88.8	69%	0.686	53%	0.527	S	S	*	.	S	Bend	trans	-60.7	-9.5	166	-72.1	83.8	0	0	0	112.4	E320	E320-L322 HydrophobicContact CB-CD1 4.27Å; E320-L322 WeakPolarHBondContact O-CD1 3.5Å; E320-L322 PolarHBondContact O-N 2.94Å; E320-L322 VanDerWaalsContact O-N 3.09Å
323	S	66.2	Low	56	Low	37 Å²	37	86.2 Å²	86.2	26%	0.259	51%	0.509	S	S	.	.			trans	-133.3	136.1	173.2	71.1	0	0	0	0	111.6	S284 C321	S284-S323 VanDerWaalsContact CB-CB 3.44Å; S284-S323 WeakPolarHBondContact OG-CB 3.47Å; C321-S323 WeakPolarHBondContact CB-O 3.5Å; C321-S323 PolarHBondContact O-N 3.01Å
324	H	72.3	Confident	58.2	Low	3 Å²	3	81.4 Å²	81.4	1%	0.014	47%	0.473	C	S	.	.			trans	-105.3	24	169.7	-62.2	-104	0	0	0	112.3	C270 C273 C281 L282 G326 H327	C270-H324 PolarHBondContact SG-ND1 3.24Å; C273-H324 VanDerWaalsContact SG-CE1 3.55Å; C273-H324 PolarHBondContact SG-ND1 3.34Å; C273-H324 VanDerWaalsContact SG-ND1 3.44Å; C281-H324 PolarHBondContact O-N 3.05Å; L282-H324 HydrophobicContact CD2-CB 4.16Å; H324-G326 PolarHBondContact O-N 2.86Å; H324-H327 HydrophobicContact CB-CB 4.31Å; H324-H327 AromaticContact CG-ND1 3.93Å; H324-H327 AromaticContact ND1-ND1 3.59Å; H324-H327 WeakPolarHBondContact O-CB 3.31Å; H324-H327 PolarHBondContact O-N 3.3Å; H324-H327 VanDerWaalsContact O-N 3.15Å
325	I	68.9	Low	60.7	Low	111 Å²	111	76.1 Å²	76.1	57%	0.569	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	129.4	176.8	-162.7	167.1	0	0	0	110	H327	I325-H327 VanDerWaalsContact C-N 3.26Å; I325-H327 PolarHBondContact O-N 3.12Å
326	G	68.1	Low	63.4	Low	78 Å²	78	72.3 Å²	72.3	80%	0.804	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-3.7	-174.1	0	0	0	0	0	115.9	H324	H324-G326 PolarHBondContact O-N 2.86Å
327	H	80.1	Confident	65.7	Low	49 Å²	49	70.6 Å²	70.6	23%	0.227	40%	0.404	C	S	.	.	S	Bend	trans	-78.6	155.2	173.6	-69	164.3	0	0	0	112.7	C273 H324 I325 V329	C273-H327 VanDerWaalsContact SG-CE1 3.5Å; C273-H327 PolarHBondContact SG-ND1 3.23Å; C273-H327 VanDerWaalsContact SG-ND1 3.41Å; H324-H327 HydrophobicContact CB-CB 4.31Å; H324-H327 AromaticContact CG-ND1 3.93Å; H324-H327 AromaticContact ND1-ND1 3.59Å; H324-H327 WeakPolarHBondContact O-CB 3.31Å; H324-H327 PolarHBondContact O-N 3.3Å; H324-H327 VanDerWaalsContact O-N 3.15Å; I325-H327 VanDerWaalsContact C-N 3.26Å; I325-H327 PolarHBondContact O-N 3.12Å; H327-V329 HydrophobicContact CB-CG2 4.41Å; H327-V329 PolarHBondContact O-N 3.41Å; H327-V329 VanDerWaalsContact O-N 3.12Å
328	T	78.7	Confident	68	Low	90 Å²	90	69.8 Å²	69.8	55%	0.552	39%	0.388	S	S	*	.			trans	-76.5	102	175.8	-53.8	0	0	0	0	109.5	I271 T272	I271-T328 HydrophobicContact CB-CG2 4.45Å; I271-T328 WeakPolarHBondContact CB-O 3.08Å; I271-T328 HydrophobicContact CD1-CG2 4.17Å; I271-T328 PolarHBondContact N-O 3.12Å; T272-T328 PolarHBondContact OG1-N 2.83Å
329	V	77.6	Confident	70.3	Confident	32 Å²	32	67.1 Å²	67.1	19%	0.194	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.1	-178.7	-178	0	0	0	0	110.3	L268 Y269 C270 V277 L282 H327	L268-V329 HydrophobicContact CB-CG1 3.77Å; L268-V329 HydrophobicContact CD1-CG1 4.14Å; L268-V329 HydrophobicContact CG-CG1 4.46Å; Y269-V329 WeakPolarHBondContact O-CA 3.36Å; C270-V329 HydrophobicContact CB-CG2 4.16Å; V277-V329 HydrophobicContact CG2-CG1 4.1Å; L282-V329 HydrophobicContact CD2-CB 4.46Å; L282-V329 HydrophobicContact CD2-CG1 4.25Å; L282-V329 HydrophobicContact CD2-CG2 3.89Å; H327-V329 HydrophobicContact CB-CG2 4.41Å; H327-V329 PolarHBondContact O-N 3.41Å; H327-V329 VanDerWaalsContact O-N 3.12Å
330	C	76.7	Confident	72.4	Confident	21 Å²	21	66.6 Å²	66.6	14%	0.142	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	169.8	173.5	65.8	0	0	0	0	110.4	L268 Y269 I334	L268-C330 CarbonylContact C-O 3.59Å; L268-C330 WeakPolarHBondContact CA-O 3.32Å; Y269-C330 PolarHBondContact N-O 3.37Å; Y269-C330 PolarHBondContact O-N 3.14Å; C330-I334 HydrophobicContact CB-CB 4.49Å; C330-I334 HydrophobicContact CB-CD1 4.31Å
331	S	79.4	Confident	74.4	Confident	7 Å²	7	60.6 Å²	60.6	5%	0.049	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	147.4	172.2	76.8	0	0	0	0	111.1	N333 I334 Y335	S331-N333 PolarHBondContact O-N 3.46Å; S331-N333 VanDerWaalsContact O-N 3.13Å; S331-I334 PolarHBondContact O-N 3.03Å; S331-I334 WeakPolarHBondContact OG-CD1 3.46Å; S331-I334 WeakPolarHBondContact OG-CG1 3.29Å; S331-Y335 PolarHBondContact O-N 2.89Å
332	T	75.9	Confident	76.1	Confident	32 Å²	32	62.8 Å²	62.8	20%	0.196	35%	0.35	C	S	.	.	H	α-helix	trans	-55.9	-31.8	178.7	50.3	0	0	0	0	112.3	N267 F276 I334 Y335 A336	N267-T332 PolarHBondContact O-N 3.05Å; N267-T332 PolarHBondContact O-OG1 3.35Å; F276-T332 HydrophobicContact CD1-CG2 3.59Å; F276-T332 HydrophobicContact CE1-CG2 3.58Å; T332-I334 PolarHBondContact O-N 2.99Å; T332-Y335 PolarHBondContact O-N 3.41Å; T332-A336 WeakPolarHBondContact O-CB 3.41Å; T332-A336 PolarHBondContact O-N 2.92Å
333	N	75	Confident	77.4	Confident	80 Å²	80	60.3 Å²	60.3	43%	0.428	34%	0.34	S	S	.	.	H	α-helix	trans	-59.3	-40.2	173.3	-72.2	-31.2	0	0	0	113.3	S331 K337	S331-N333 PolarHBondContact O-N 3.46Å; S331-N333 VanDerWaalsContact O-N 3.13Å; N333-K337 VanDerWaalsContact O-CG 3.27Å; N333-K337 WeakPolarHBondContact O-CG 3.5Å; N333-K337 PolarHBondContact O-N 3.09Å
334	I	74.3	Confident	78.4	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.087	35%	0.347	C	S	.	.	H	α-helix	trans	-73.2	-47.5	-179.8	-58.9	160.5	0	0	0	109.7	L228 C330 S331 T332 A336 K337 K338	L228-I334 HydrophobicContact CD2-CD1 3.89Å; C330-I334 HydrophobicContact CB-CB 4.49Å; C330-I334 HydrophobicContact CB-CD1 4.31Å; S331-I334 PolarHBondContact O-N 3.03Å; S331-I334 WeakPolarHBondContact OG-CD1 3.46Å; S331-I334 WeakPolarHBondContact OG-CG1 3.29Å; T332-I334 PolarHBondContact O-N 2.99Å; I334-A336 VanDerWaalsContact C-N 3.31Å; I334-A336 PolarHBondContact O-N 2.83Å; I334-K337 WeakPolarHBondContact O-CB 3.47Å; I334-K337 PolarHBondContact O-N 3.06Å; I334-K337 VanDerWaalsContact O-N 3.1Å; I334-K338 PolarHBondContact O-N 3.16Å
335	Y	79.4	Confident	79.1	Confident	47 Å²	47	68.4 Å²	68.4	18%	0.184	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-41.2	178	-163.7	-99.7	0	0	0	111.4	Y269 I271 S331 T332 K337 K338 M339	Y269-Y335 AromaticContact CD1-CD1 3.77Å; Y269-Y335 HydrophobicContact CD1-CD1 3.77Å; Y269-Y335 AromaticContact CD1-CD2 3.52Å; Y269-Y335 HydrophobicContact CD1-CD2 3.52Å; Y269-Y335 AromaticContact CD1-CE1 4Å; Y269-Y335 HydrophobicContact CD1-CE1 4Å; Y269-Y335 AromaticContact CD1-CE2 3.76Å; Y269-Y335 HydrophobicContact CD1-CE2 3.76Å; Y269-Y335 AromaticContact CD1-CG 3.52Å; Y269-Y335 HydrophobicContact CD1-CG 3.52Å; Y269-Y335 AromaticContact CD1-CZ 3.99Å; Y269-Y335 HydrophobicContact CD2-CD1 4.25Å; Y269-Y335 AromaticContact CE1-CD1 3.75Å; Y269-Y335 HydrophobicContact CE1-CD1 3.75Å; Y269-Y335 AromaticContact CE1-CD2 3.67Å; Y269-Y335 HydrophobicContact CE1-CD2 3.67Å; Y269-Y335 AromaticContact CE1-CE1 3.46Å; Y269-Y335 HydrophobicContact CE1-CE1 3.46Å; Y269-Y335 VanDerWaalsContact CE1-CE1 3.46Å; Y269-Y335 AromaticContact CE1-CE2 3.38Å; Y269-Y335 HydrophobicContact CE1-CE2 3.38Å; Y269-Y335 AromaticContact CE1-CG 3.85Å; Y269-Y335 HydrophobicContact CE1-CG 3.85Å; Y269-Y335 AromaticContact CE1-CZ 3.27Å; Y269-Y335 HydrophobicContact CE2-CD1 4.24Å; Y269-Y335 HydrophobicContact CE2-CE1 4.1Å; Y269-Y335 HydrophobicContact CG-CD1 4.01Å; Y269-Y335 HydrophobicContact CG-CD2 4.39Å; Y269-Y335 AromaticContact CG-CG 3.95Å; Y269-Y335 HydrophobicContact CG-CG 3.95Å; Y269-Y335 AromaticContact CZ-CD1 3.97Å; Y269-Y335 AromaticContact CZ-CE1 3.5Å; Y269-Y335 VanDerWaalsContact CZ-CE1 3.5Å; Y269-Y335 AromaticContact CZ-CZ 3.65Å; Y269-Y335 PolarHBondContact OH-OH 2.78Å; I271-Y335 HydrophobicContact CD1-CD2 4.42Å; I271-Y335 HydrophobicContact CG1-CD2 4.15Å; I271-Y335 HydrophobicContact CG1-CE2 4.27Å; S331-Y335 PolarHBondContact O-N 2.89Å; T332-Y335 PolarHBondContact O-N 3.41Å; Y335-K337 VanDerWaalsContact C-N 3.35Å; Y335-K337 PolarHBondContact O-N 2.91Å; Y335-K338 PolarHBondContact O-N 2.97Å; Y335-M339 HydrophobicContact CD1-CG 3.69Å; Y335-M339 HydrophobicContact CE1-CE 4.28Å; Y335-M339 HydrophobicContact CE1-CG 3.37Å; Y335-M339 HydrophobicContact CE1-SD 3.81Å; Y335-M339 HydrophobicContact CE2-CE 4.33Å; Y335-M339 HydrophobicContact CG-CG 4.48Å; Y335-M339 WeakPolarHBondContact O-CB 3.48Å; Y335-M339 WeakPolarHBondContact O-CG 3.47Å; Y335-M339 PolarHBondContact O-N 3.38Å
336	A	79.9	Confident	80	Confident	38 Å²	38	68.4 Å²	68.4	31%	0.314	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-34.4	173.9	0	0	0	0	0	113.1	T332 I334 K340	T332-A336 WeakPolarHBondContact O-CB 3.41Å; T332-A336 PolarHBondContact O-N 2.92Å; I334-A336 VanDerWaalsContact C-N 3.31Å; I334-A336 PolarHBondContact O-N 2.83Å; A336-K340 VanDerWaalsContact O-CB 3.26Å; A336-K340 WeakPolarHBondContact O-CB 3.39Å; A336-K340 WeakPolarHBondContact O-CD 3.49Å; A336-K340 WeakPolarHBondContact O-CG 3.26Å; A336-K340 PolarHBondContact O-N 2.8Å
337	K	77.4	Confident	81	Confident	118 Å²	118	69.8 Å²	69.8	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-46.2	171.1	-77.3	168.4	-179.9	179.7	0	111.2	Q208 N333 I334 Y335 K340 A341	Q208-K337 PolarHBondContact O-NZ 3.09Å; N333-K337 VanDerWaalsContact O-CG 3.27Å; N333-K337 WeakPolarHBondContact O-CG 3.5Å; N333-K337 PolarHBondContact O-N 3.09Å; I334-K337 WeakPolarHBondContact O-CB 3.47Å; I334-K337 PolarHBondContact O-N 3.06Å; I334-K337 VanDerWaalsContact O-N 3.1Å; Y335-K337 VanDerWaalsContact C-N 3.35Å; Y335-K337 PolarHBondContact O-N 2.91Å; K337-K340 PolarHBondContact O-N 2.91Å; K337-A341 PolarHBondContact O-N 3.42Å; K337-A341 VanDerWaalsContact O-N 3.11Å
338	K	79.4	Confident	81.3	Confident	83 Å²	83	73.7 Å²	73.7	36%	0.361	39%	0.385	S	S	.	.	H	α-helix	trans	-59.8	-54.7	176.1	179.3	177.7	176.2	173.5	0	111.7	M227 I334 Y335 K340 A341 E342	M227-K338 HydrophobicContact CE-CD 4.34Å; I334-K338 PolarHBondContact O-N 3.16Å; Y335-K338 PolarHBondContact O-N 2.97Å; K338-K340 VanDerWaalsContact C-N 3.32Å; K338-K340 PolarHBondContact O-N 3.37Å; K338-A341 WeakPolarHBondContact O-CB 3.23Å; K338-A341 PolarHBondContact O-N 2.88Å; K338-E342 WeakPolarHBondContact CE-OE1 3.47Å; K338-E342 WeakPolarHBondContact CG-OE1 3.5Å; K338-E342 IonicContact NZ-OE1 2.71Å; K338-E342 PolarHBondContact O-N 2.78Å
339	M	84.1	Confident	81.7	Confident	59 Å²	59	78.3 Å²	78.3	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-59.5	-39.7	179.9	-69.2	-68.3	102.6	0	0	112.3	Y335 A341 E342 V343	Y335-M339 HydrophobicContact CD1-CG 3.69Å; Y335-M339 HydrophobicContact CE1-CE 4.28Å; Y335-M339 HydrophobicContact CE1-CG 3.37Å; Y335-M339 HydrophobicContact CE1-SD 3.81Å; Y335-M339 HydrophobicContact CE2-CE 4.33Å; Y335-M339 HydrophobicContact CG-CG 4.48Å; Y335-M339 WeakPolarHBondContact O-CB 3.48Å; Y335-M339 WeakPolarHBondContact O-CG 3.47Å; Y335-M339 PolarHBondContact O-N 3.38Å; M339-A341 PolarHBondContact O-N 2.97Å; M339-E342 WeakPolarHBondContact CE-OE2 3.24Å; M339-E342 PolarHBondContact O-N 2.93Å; M339-V343 WeakPolarHBondContact O-CB 3.39Å; M339-V343 WeakPolarHBondContact O-CG2 3.49Å; M339-V343 PolarHBondContact O-N 2.7Å
340	K	82.1	Confident	82.3	Confident	150 Å²	150	82.5 Å²	82.5	65%	0.652	41%	0.413	S	S	*	.	H	α-helix	trans	-60.7	-43.4	173.3	-77.9	170	-177.5	177.8	0	112.1	A336 K337 K338 E342 V343 S344	A336-K340 VanDerWaalsContact O-CB 3.26Å; A336-K340 WeakPolarHBondContact O-CB 3.39Å; A336-K340 WeakPolarHBondContact O-CD 3.49Å; A336-K340 WeakPolarHBondContact O-CG 3.26Å; A336-K340 PolarHBondContact O-N 2.8Å; K337-K340 PolarHBondContact O-N 2.91Å; K338-K340 VanDerWaalsContact C-N 3.32Å; K338-K340 PolarHBondContact O-N 3.37Å; K340-E342 VanDerWaalsContact C-N 3.35Å; K340-E342 PolarHBondContact O-N 2.85Å; K340-V343 PolarHBondContact O-N 3.15Å; K340-S344 WeakPolarHBondContact O-CB 3.24Å; K340-S344 PolarHBondContact O-N 3.37Å; K340-S344 PolarHBondContact O-OG 3.35Å; K340-S344 VanDerWaalsContact O-OG 3.07Å
341	A	79.9	Confident	82.7	Confident	53 Å²	53	84.7 Å²	84.7	44%	0.438	43%	0.429	S	S	.	.	H	α-helix	trans	-65.5	-36.6	177.8	0	0	0	0	0	112.7	K337 K338 M339 K345	K337-A341 PolarHBondContact O-N 3.42Å; K337-A341 VanDerWaalsContact O-N 3.11Å; K338-A341 WeakPolarHBondContact O-CB 3.23Å; K338-A341 PolarHBondContact O-N 2.88Å; M339-A341 PolarHBondContact O-N 2.97Å; A341-K345 WeakPolarHBondContact O-CG 3.43Å; A341-K345 PolarHBondContact O-N 3.3Å; A341-K345 VanDerWaalsContact O-N 3.09Å
342	E	83	Confident	82.7	Confident	83 Å²	83	88.9 Å²	88.9	39%	0.388	45%	0.447	S	S	.	.	H	α-helix	trans	-69.6	-44.9	175.4	-71.9	172.8	-160.8	0	0	112	K338 M339 K340 S344 K345 L346	K338-E342 WeakPolarHBondContact CE-OE1 3.47Å; K338-E342 WeakPolarHBondContact CG-OE1 3.5Å; K338-E342 IonicContact NZ-OE1 2.71Å; K338-E342 PolarHBondContact O-N 2.78Å; M339-E342 WeakPolarHBondContact CE-OE2 3.24Å; M339-E342 PolarHBondContact O-N 2.93Å; K340-E342 VanDerWaalsContact C-N 3.35Å; K340-E342 PolarHBondContact O-N 2.85Å; E342-S344 PolarHBondContact O-N 2.7Å; E342-K345 PolarHBondContact O-N 2.88Å; E342-L346 PolarHBondContact O-N 3.24Å; E342-L346 VanDerWaalsContact O-N 3.09Å
343	V	86.2	Confident	83.2	Confident	79 Å²	79	92.2 Å²	92.2	48%	0.479	46%	0.461	S	S	.	.	H	α-helix	trans	-61.1	-42.3	173.2	171.2	0	0	0	0	111.2	M339 K340 K345 L346 L347	M339-V343 WeakPolarHBondContact O-CB 3.39Å; M339-V343 WeakPolarHBondContact O-CG2 3.49Å; M339-V343 PolarHBondContact O-N 2.7Å; K340-V343 PolarHBondContact O-N 3.15Å; V343-K345 PolarHBondContact O-N 3.31Å; V343-L346 PolarHBondContact O-N 2.72Å; V343-L347 HydrophobicContact CG1-CD1 3.9Å; V343-L347 HydrophobicContact CG1-CG 4.23Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 2.62Å
344	S	88.4	Confident	83.7	Confident	58 Å²	58	91.5 Å²	91.5	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-59.7	-42.5	174.6	-68.6	0	0	0	0	112.3	K340 E342 L346 L347 H348	K340-S344 WeakPolarHBondContact O-CB 3.24Å; K340-S344 PolarHBondContact O-N 3.37Å; K340-S344 PolarHBondContact O-OG 3.35Å; K340-S344 VanDerWaalsContact O-OG 3.07Å; E342-S344 PolarHBondContact O-N 2.7Å; S344-L346 VanDerWaalsContact C-N 3.31Å; S344-L346 PolarHBondContact O-N 3.39Å; S344-L347 PolarHBondContact O-N 2.78Å; S344-H348 PolarHBondContact O-CD2 3.29Å; S344-H348 PolarHBondContact O-N 2.78Å
345	K	85.9	Confident	84.1	Confident	151 Å²	151	94.5 Å²	94.5	66%	0.657	48%	0.478	S	S	*	.	H	α-helix	trans	-61.3	-37.9	175.5	-74.2	172	179.8	-177.4	0	112.4	A341 E342 V343 R349	A341-K345 WeakPolarHBondContact O-CG 3.43Å; A341-K345 PolarHBondContact O-N 3.3Å; A341-K345 VanDerWaalsContact O-N 3.09Å; E342-K345 PolarHBondContact O-N 2.88Å; V343-K345 PolarHBondContact O-N 3.31Å; K345-R349 PolarHBondContact O-N 3.09Å; K345-R349 VanDerWaalsContact O-N 3.16Å
346	L	89.7	Confident	84.1	Confident	111 Å²	111	99.1 Å²	99.1	58%	0.581	50%	0.495	S	S	*	.	H	α-helix	trans	-71.1	-40.6	175.6	-67.5	174	0	0	0	112.1	E342 V343 S344 R349 L350	E342-L346 PolarHBondContact O-N 3.24Å; E342-L346 VanDerWaalsContact O-N 3.09Å; V343-L346 PolarHBondContact O-N 2.72Å; S344-L346 VanDerWaalsContact C-N 3.31Å; S344-L346 PolarHBondContact O-N 3.39Å; L346-R349 PolarHBondContact O-N 3.01Å; L346-L350 WeakPolarHBondContact O-CB 3.26Å; L346-L350 PolarHBondContact O-N 3.36Å
347	L	88	Confident	84.2	Confident	107 Å²	107	98.9 Å²	98.9	56%	0.56	50%	0.497	S	S	*	.	H	α-helix	trans	-62.2	-43.5	175.3	-73.2	171.2	0	0	0	112	V343 S344 L350 S351	V343-L347 HydrophobicContact CG1-CD1 3.9Å; V343-L347 HydrophobicContact CG1-CG 4.23Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 2.62Å; S344-L347 PolarHBondContact O-N 2.78Å; L347-L350 PolarHBondContact O-N 2.93Å; L347-S351 WeakPolarHBondContact O-CB 3.1Å; L347-S351 PolarHBondContact O-N 2.7Å
348	H	87	Confident	84.5	Confident	132 Å²	132	95.8 Å²	95.8	61%	0.611	49%	0.493	S	S	*	.	H	α-helix	trans	-61.1	-45.5	173.4	-76.4	-65.7	0	0	0	111.7	S344 L350 S351 E352	S344-H348 PolarHBondContact O-CD2 3.29Å; S344-H348 PolarHBondContact O-N 2.78Å; H348-L350 PolarHBondContact O-N 3.28Å; H348-S351 WeakPolarHBondContact O-CB 3.39Å; H348-S351 PolarHBondContact O-N 2.8Å; H348-E352 PolarHBondContact O-N 3.38Å
349	R	87.1	Confident	84.6	Confident	186 Å²	186	94.4 Å²	94.4	70%	0.702	49%	0.488	S	S	*	.	H	α-helix	trans	-60	-43.9	177	-171.5	-177.4	-61	-162.3	-1.2	112.3	K345 L346 S351 E352 E353	K345-R349 PolarHBondContact O-N 3.09Å; K345-R349 VanDerWaalsContact O-N 3.16Å; L346-R349 PolarHBondContact O-N 3.01Å; R349-S351 VanDerWaalsContact C-N 3.32Å; R349-E352 PolarHBondContact O-N 2.89Å; R349-E353 PolarHBondContact O-N 3.39Å; R349-E353 VanDerWaalsContact O-N 3.1Å
350	L	89.1	Confident	84.5	Confident	120 Å²	120	96.5 Å²	96.5	63%	0.628	50%	0.5	S	S	*	.	H	α-helix	trans	-68	-32.4	177.6	-175.6	61.2	0	0	0	112.2	L346 L347 H348 E353 A354	L346-L350 WeakPolarHBondContact O-CB 3.26Å; L346-L350 PolarHBondContact O-N 3.36Å; L347-L350 PolarHBondContact O-N 2.93Å; H348-L350 PolarHBondContact O-N 3.28Å; L350-E353 PolarHBondContact O-N 3.09Å; L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.19Å; L350-A354 PolarHBondContact O-N 2.77Å
351	S	85.4	Confident	84.7	Confident	68 Å²	68	93.3 Å²	93.3	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-65.5	-44.8	174.6	-172.2	0	0	0	0	112	L347 H348 R349 E353 A354 K355	L347-S351 WeakPolarHBondContact O-CB 3.1Å; L347-S351 PolarHBondContact O-N 2.7Å; H348-S351 WeakPolarHBondContact O-CB 3.39Å; H348-S351 PolarHBondContact O-N 2.8Å; R349-S351 VanDerWaalsContact C-N 3.32Å; S351-E353 VanDerWaalsContact C-N 3.34Å; S351-A354 PolarHBondContact O-N 3.11Å; S351-K355 PolarHBondContact O-N 3.03Å
352	E	80.7	Confident	84.9	Confident	94 Å²	94	97.6 Å²	97.6	44%	0.439	50%	0.504	S	S	.	.	H	α-helix	trans	-65.8	-37.6	175.3	-63.9	-48.6	121.8	0	0	111.9	H348 R349 K355 R356	H348-E352 PolarHBondContact O-N 3.38Å; R349-E352 PolarHBondContact O-N 2.89Å; E352-K355 WeakPolarHBondContact O-CB 3.44Å; E352-K355 PolarHBondContact O-N 2.79Å; E352-R356 PolarHBondContact O-N 3.29Å
353	E	85.1	Confident	84.8	Confident	103 Å²	103	96.1 Å²	96.1	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-70.4	-36.8	177.2	-151.3	58.2	-147.4	0	0	112.4	R349 L350 S351 K355 R356 G357	R349-E353 PolarHBondContact O-N 3.39Å; R349-E353 VanDerWaalsContact O-N 3.1Å; L350-E353 PolarHBondContact O-N 3.09Å; S351-E353 VanDerWaalsContact C-N 3.34Å; E353-K355 VanDerWaalsContact C-N 3.29Å; E353-K355 PolarHBondContact O-N 3.37Å; E353-R356 PolarHBondContact O-N 2.84Å; E353-R356 IonicContact OE2-CZ 3.71Å; E353-R356 IonicContact OE2-NH1 3.21Å; E353-R356 PolarHBondContact OE2-NH1 2.79Å; E353-G357 PolarHBondContact O-N 3.36Å
354	A	86.1	Confident	84.7	Confident	65 Å²	65	97.4 Å²	97.4	54%	0.537	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-33.6	170.8	0	0	0	0	0	112.2	L350 S351 G357 A358	L350-A354 VanDerWaalsContact O-CB 3.29Å; L350-A354 WeakPolarHBondContact O-CB 3.19Å; L350-A354 PolarHBondContact O-N 2.77Å; S351-A354 PolarHBondContact O-N 3.11Å; A354-G357 PolarHBondContact O-N 2.91Å; A354-A358 PolarHBondContact O-N 2.82Å
355	K	82.8	Confident	84.6	Confident	80 Å²	80	101 Å²	101	35%	0.348	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-47.1	171.9	-169.4	-162.6	177.6	-152.4	0	111.1	S351 E352 E353 G357 A358 E359	S351-K355 PolarHBondContact O-N 3.03Å; E352-K355 WeakPolarHBondContact O-CB 3.44Å; E352-K355 PolarHBondContact O-N 2.79Å; E353-K355 VanDerWaalsContact C-N 3.29Å; E353-K355 PolarHBondContact O-N 3.37Å; K355-G357 VanDerWaalsContact C-N 3.32Å; K355-G357 PolarHBondContact O-N 3.19Å; K355-A358 WeakPolarHBondContact O-CB 3.46Å; K355-A358 PolarHBondContact O-N 2.6Å; K355-A358 VanDerWaalsContact O-N 3.09Å; K355-E359 WeakPolarHBondContact CE-OE1 3.19Å; K355-E359 IonicContact NZ-OE1 3.75Å; K355-E359 PolarHBondContact NZ-OE1 3.25Å; K355-E359 PolarHBondContact O-N 3.06Å
356	R	79	Confident	84.5	Confident	143 Å²	143	97.3 Å²	97.3	54%	0.54	50%	0.499	S	S	.	.	H	α-helix	trans	-56.8	-43.5	173.2	-71.1	-176.9	-178.8	106	9.6	112.2	E352 E353 A358 E359 L360	E352-R356 PolarHBondContact O-N 3.29Å; E353-R356 PolarHBondContact O-N 2.84Å; E353-R356 IonicContact OE2-CZ 3.71Å; E353-R356 IonicContact OE2-NH1 3.21Å; E353-R356 PolarHBondContact OE2-NH1 2.79Å; R356-A358 VanDerWaalsContact C-N 3.31Å; R356-A358 PolarHBondContact O-N 2.81Å; R356-E359 PolarHBondContact O-N 2.79Å; R356-L360 WeakPolarHBondContact O-CB 3.48Å; R356-L360 PolarHBondContact O-N 3.08Å
357	G	82.3	Confident	84.1	Confident	34 Å²	34	95 Å²	95	35%	0.351	49%	0.49	S	S	.	.	H	α-helix	trans	-60	-38.6	174.7	0	0	0	0	0	113.2	E353 A354 K355 V361	E353-G357 PolarHBondContact O-N 3.36Å; A354-G357 PolarHBondContact O-N 2.91Å; K355-G357 VanDerWaalsContact C-N 3.32Å; K355-G357 PolarHBondContact O-N 3.19Å; G357-V361 WeakPolarHBondContact O-CG2 3.44Å; G357-V361 PolarHBondContact O-N 2.85Å; G357-V361 VanDerWaalsContact O-N 3.08Å
358	A	83.7	Confident	83.9	Confident	52 Å²	52	94.4 Å²	94.4	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-70.4	-41.4	174.6	0	0	0	0	0	112.8	A354 K355 R356 L360 V361 Q362	A354-A358 PolarHBondContact O-N 2.82Å; K355-A358 WeakPolarHBondContact O-CB 3.46Å; K355-A358 PolarHBondContact O-N 2.6Å; K355-A358 VanDerWaalsContact O-N 3.09Å; R356-A358 VanDerWaalsContact C-N 3.31Å; R356-A358 PolarHBondContact O-N 2.81Å; A358-L360 VanDerWaalsContact C-N 3.33Å; A358-L360 PolarHBondContact O-N 2.73Å; A358-V361 PolarHBondContact O-N 2.81Å; A358-Q362 WeakPolarHBondContact O-CG 3.49Å; A358-Q362 PolarHBondContact O-N 3.15Å; A358-Q362 VanDerWaalsContact O-N 3.08Å
359	E	80.3	Confident	84	Confident	55 Å²	55	92.2 Å²	92.2	26%	0.257	48%	0.477	S	S	.	.	H	α-helix	trans	-59	-42.8	172.7	-73.4	178.9	-144.2	0	0	110.7	K355 R356 Q362 S363 R734	K355-E359 WeakPolarHBondContact CE-OE1 3.19Å; K355-E359 IonicContact NZ-OE1 3.75Å; K355-E359 PolarHBondContact NZ-OE1 3.25Å; K355-E359 PolarHBondContact O-N 3.06Å; R356-E359 PolarHBondContact O-N 2.79Å; E359-Q362 PolarHBondContact O-N 3.27Å; E359-S363 WeakPolarHBondContact O-CB 3.25Å; E359-S363 PolarHBondContact O-N 3.29Å; E359-R734 IonicContact OE2-CZ 3.17Å; E359-R734 IonicContact OE2-NH1 2.67Å; E359-R734 PolarHBondContact OE2-NH1 3.05Å; E359-R734 IonicContact OE2-NH2 2.75Å; E359-R734 PolarHBondContact OE2-NH2 3.14Å
360	L	83	Confident	83.7	Confident	103 Å²	103	83.6 Å²	83.6	54%	0.539	45%	0.445	S	S	.	.	H	α-helix	trans	-62.9	-46	176.1	178.2	61	0	0	0	112.7	R356 A358 Q362 S363 L364	R356-L360 WeakPolarHBondContact O-CB 3.48Å; R356-L360 PolarHBondContact O-N 3.08Å; A358-L360 VanDerWaalsContact C-N 3.33Å; A358-L360 PolarHBondContact O-N 2.73Å; L360-Q362 VanDerWaalsContact C-N 3.28Å; L360-Q362 PolarHBondContact O-N 2.72Å; L360-S363 WeakPolarHBondContact O-CB 3.32Å; L360-S363 PolarHBondContact O-N 3.11Å; L360-L364 HydrophobicContact CD1-CD1 4.23Å; L360-L364 HydrophobicContact CD1-CG 4.16Å; L360-L364 HydrophobicContact CG-CD1 4.12Å; L360-L364 HydrophobicContact CG-CG 4.49Å; L360-L364 WeakPolarHBondContact O-CG 3.45Å; L360-L364 PolarHBondContact O-N 2.8Å
361	V	86.2	Confident	83.5	Confident	83 Å²	83	82.7 Å²	82.7	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-63.2	-34.8	177.9	169	0	0	0	0	111.8	G357 A358 K365	G357-V361 WeakPolarHBondContact O-CG2 3.44Å; G357-V361 PolarHBondContact O-N 2.85Å; G357-V361 VanDerWaalsContact O-N 3.08Å; A358-V361 PolarHBondContact O-N 2.81Å; V361-K365 WeakPolarHBondContact O-CG 3.39Å; V361-K365 PolarHBondContact O-N 3.31Å
362	Q	84.7	Confident	83.6	Confident	143 Å²	143	87 Å²	87	67%	0.668	45%	0.446	S	S	*	.	H	α-helix	trans	-69.5	-41.6	172.9	-70.6	178.4	1.3	0	0	111.9	A358 E359 L360 K365 H366	A358-Q362 WeakPolarHBondContact O-CG 3.49Å; A358-Q362 PolarHBondContact O-N 3.15Å; A358-Q362 VanDerWaalsContact O-N 3.08Å; E359-Q362 PolarHBondContact O-N 3.27Å; L360-Q362 VanDerWaalsContact C-N 3.28Å; L360-Q362 PolarHBondContact O-N 2.72Å; Q362-K365 PolarHBondContact O-N 2.9Å; Q362-H366 PolarHBondContact O-N 3.34Å; Q362-H366 VanDerWaalsContact O-N 3.08Å
363	S	80.1	Confident	83.9	Confident	51 Å²	51	88 Å²	88	36%	0.357	45%	0.446	S	S	.	.	H	α-helix	trans	-61	-46.2	176.7	-163.2	0	0	0	0	112.1	E359 L360 K365 H366 T367	E359-S363 WeakPolarHBondContact O-CB 3.25Å; E359-S363 PolarHBondContact O-N 3.29Å; L360-S363 WeakPolarHBondContact O-CB 3.32Å; L360-S363 PolarHBondContact O-N 3.11Å; S363-K365 PolarHBondContact O-N 2.94Å; S363-H366 WeakPolarHBondContact O-CB 3.38Å; S363-H366 PolarHBondContact O-N 3.33Å; S363-H366 VanDerWaalsContact O-N 3.15Å; S363-T367 PolarHBondContact O-N 3.44Å; S363-T367 PolarHBondContact O-OG1 3.08Å; S363-T367 VanDerWaalsContact O-OG1 3.14Å
364	L	83.3	Confident	83.8	Confident	107 Å²	107	84.3 Å²	84.3	56%	0.56	43%	0.429	S	S	*	.	H	α-helix	trans	-60.6	-41.8	179	-72.2	170.2	0	0	0	112.6	L360 T367 E368	L360-L364 HydrophobicContact CD1-CD1 4.23Å; L360-L364 HydrophobicContact CD1-CG 4.16Å; L360-L364 HydrophobicContact CG-CD1 4.12Å; L360-L364 HydrophobicContact CG-CG 4.49Å; L360-L364 WeakPolarHBondContact O-CG 3.45Å; L360-L364 PolarHBondContact O-N 2.8Å; L364-T367 PolarHBondContact O-N 3.15Å; L364-E368 PolarHBondContact O-N 3.34Å
365	K	88.2	Confident	83.7	Confident	133 Å²	133	85.2 Å²	85.2	58%	0.578	42%	0.424	S	S	*	.	H	α-helix	trans	-62.4	-44	173.7	-72.6	-174.4	174.7	-158.2	0	112	V361 Q362 S363 T367 E368 D369	V361-K365 WeakPolarHBondContact O-CG 3.39Å; V361-K365 PolarHBondContact O-N 3.31Å; Q362-K365 PolarHBondContact O-N 2.9Å; S363-K365 PolarHBondContact O-N 2.94Å; K365-T367 VanDerWaalsContact C-N 3.26Å; K365-T367 PolarHBondContact O-N 3.23Å; K365-E368 WeakPolarHBondContact O-CB 3.33Å; K365-E368 PolarHBondContact O-N 3.18Å; K365-E368 VanDerWaalsContact O-N 3.08Å; K365-D369 PolarHBondContact O-N 2.88Å
366	H	83.2	Confident	84	Confident	74 Å²	74	84.2 Å²	84.2	34%	0.343	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-33.6	176.8	-171.2	70.4	0	0	0	112.6	Q362 S363 D369 Q370	Q362-H366 PolarHBondContact O-N 3.34Å; Q362-H366 VanDerWaalsContact O-N 3.08Å; S363-H366 WeakPolarHBondContact O-CB 3.38Å; S363-H366 PolarHBondContact O-N 3.33Å; S363-H366 VanDerWaalsContact O-N 3.15Å; H366-D369 PolarHBondContact O-N 2.92Å; H366-Q370 PolarHBondContact CD2-NE2 3.36Å; H366-Q370 PolarHBondContact NE2-NE2 3.06Å; H366-Q370 WeakPolarHBondContact O-CG 3.34Å; H366-Q370 PolarHBondContact O-N 2.91Å
367	T	80.6	Confident	84.1	Confident	62 Å²	62	81.1 Å²	81.1	38%	0.38	42%	0.421	S	S	.	.	H	α-helix	trans	-67.4	-37.9	172.2	-54.6	0	0	0	0	112	S363 L364 K365 Q370 L371	S363-T367 PolarHBondContact O-N 3.44Å; S363-T367 PolarHBondContact O-OG1 3.08Å; S363-T367 VanDerWaalsContact O-OG1 3.14Å; L364-T367 PolarHBondContact O-N 3.15Å; K365-T367 VanDerWaalsContact C-N 3.26Å; K365-T367 PolarHBondContact O-N 3.23Å; T367-Q370 PolarHBondContact O-N 3.08Å; T367-L371 WeakPolarHBondContact O-CB 3.2Å; T367-L371 PolarHBondContact O-N 3.2Å
368	E	84.9	Confident	83.9	Confident	94 Å²	94	82.6 Å²	82.6	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-62.9	-45.8	171.7	-164.1	-167	149.5	0	0	111.3	L364 K365 Q370 L371 R372	L364-E368 PolarHBondContact O-N 3.34Å; K365-E368 WeakPolarHBondContact O-CB 3.33Å; K365-E368 PolarHBondContact O-N 3.18Å; K365-E368 VanDerWaalsContact O-N 3.08Å; E368-Q370 VanDerWaalsContact C-N 3.26Å; E368-Q370 PolarHBondContact O-N 3.05Å; E368-L371 PolarHBondContact O-N 3.05Å; E368-R372 WeakPolarHBondContact O-CG 3.46Å; E368-R372 PolarHBondContact O-N 3.18Å; E368-R372 IonicContact OE1-CZ 3.46Å; E368-R372 IonicContact OE1-NE 3.37Å; E368-R372 PolarHBondContact OE1-NE 2.94Å; E368-R372 IonicContact OE1-NH2 3.13Å; E368-R372 PolarHBondContact OE1-NH2 2.67Å
369	D	87.7	Confident	84.1	Confident	86 Å²	86	85.3 Å²	85.3	46%	0.46	42%	0.424	S	S	.	.	H	α-helix	trans	-63.7	-28.8	176.3	-65.3	-35.3	0	0	0	112.7	K365 H366 R373	K365-D369 PolarHBondContact O-N 2.88Å; H366-D369 PolarHBondContact O-N 2.92Å; D369-R373 PolarHBondContact O-NE 2.96Å; D369-R373 PolarHBondContact O-NH2 3.09Å
370	Q	82	Confident	84.3	Confident	6 Å²	6	86 Å²	86	3%	0.028	43%	0.432	C	S	.	.	H	α-helix	trans	-73.5	-47.7	170.2	-76.8	-176.8	15	0	0	111.3	H366 T367 E368 R372 R373 N374	H366-Q370 PolarHBondContact CD2-NE2 3.36Å; H366-Q370 PolarHBondContact NE2-NE2 3.06Å; H366-Q370 WeakPolarHBondContact O-CG 3.34Å; H366-Q370 PolarHBondContact O-N 2.91Å; T367-Q370 PolarHBondContact O-N 3.08Å; E368-Q370 VanDerWaalsContact C-N 3.26Å; E368-Q370 PolarHBondContact O-N 3.05Å; Q370-R372 PolarHBondContact O-N 3.02Å; Q370-R373 PolarHBondContact O-N 3.15Å; Q370-R373 VanDerWaalsContact O-N 3.15Å; Q370-N374 PolarHBondContact O-N 3.21Å
371	L	83.6	Confident	84.2	Confident	100 Å²	100	84 Å²	84	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-44.8	-179	-177.7	62.7	0	0	0	111.8	T367 E368 R373 N374 I375	T367-L371 WeakPolarHBondContact O-CB 3.2Å; T367-L371 PolarHBondContact O-N 3.2Å; E368-L371 PolarHBondContact O-N 3.05Å; L371-R373 VanDerWaalsContact C-N 3.3Å; L371-R373 PolarHBondContact O-N 3.33Å; L371-N374 PolarHBondContact O-N 2.75Å; L371-I375 HydrophobicContact CD1-CD1 4.19Å; L371-I375 HydrophobicContact CD1-CG1 4.46Å; L371-I375 HydrophobicContact CG-CD1 4Å; L371-I375 WeakPolarHBondContact O-CG1 3.39Å; L371-I375 PolarHBondContact O-N 3.07Å
372	R	88	Confident	83.9	Confident	158 Å²	158	84.3 Å²	84.3	60%	0.596	42%	0.416	S	S	*	.	H	α-helix	trans	-58.8	-39.4	175.9	-71.6	176.2	179.3	-80.3	0.1	112.6	E368 Q370 S376	E368-R372 WeakPolarHBondContact O-CG 3.46Å; E368-R372 PolarHBondContact O-N 3.18Å; E368-R372 IonicContact OE1-CZ 3.46Å; E368-R372 IonicContact OE1-NE 3.37Å; E368-R372 PolarHBondContact OE1-NE 2.94Å; E368-R372 IonicContact OE1-NH2 3.13Å; E368-R372 PolarHBondContact OE1-NH2 2.67Å; Q370-R372 PolarHBondContact O-N 3.02Å; R372-S376 WeakPolarHBondContact O-CB 3.28Å; R372-S376 PolarHBondContact O-N 3.47Å; R372-S376 VanDerWaalsContact O-N 3.12Å
373	R	87	Confident	84	Confident	117 Å²	117	82 Å²	82	44%	0.442	41%	0.409	S	S	.	.	H	α-helix	trans	-72.7	-42.1	176.5	-76	178.8	-69.6	139.4	-0.4	112.5	D369 Q370 L371 I375 S376 N377	D369-R373 PolarHBondContact O-NE 2.96Å; D369-R373 PolarHBondContact O-NH2 3.09Å; Q370-R373 PolarHBondContact O-N 3.15Å; Q370-R373 VanDerWaalsContact O-N 3.15Å; L371-R373 VanDerWaalsContact C-N 3.3Å; L371-R373 PolarHBondContact O-N 3.33Å; R373-I375 VanDerWaalsContact C-N 3.3Å; R373-I375 PolarHBondContact O-N 3.03Å; R373-S376 PolarHBondContact O-N 3.38Å; R373-N377 WeakPolarHBondContact O-CB 3.27Å; R373-N377 VanDerWaalsContact O-CG 3.23Å; R373-N377 PolarHBondContact O-N 3.23Å; R373-N377 PolarHBondContact O-OD1 3.04Å
374	N	82.5	Confident	84.3	Confident	25 Å²	25	85 Å²	85	13%	0.134	42%	0.417	C	S	.	.	H	α-helix	trans	-58	-43.6	174.7	-73.3	-12.9	0	0	0	111.5	Q370 L371 M378 A744 Q745	Q370-N374 PolarHBondContact O-N 3.21Å; L371-N374 PolarHBondContact O-N 2.75Å; N374-M378 WeakPolarHBondContact O-CB 3.35Å; N374-M378 PolarHBondContact O-N 3.35Å; N374-A744 HydrophobicContact CB-CB 4.23Å; N374-Q745 PolarHBondContact ND2-O 3.32Å; N374-Q745 PolarHBondContact OD1-N 3.02Å
375	I	84.4	Confident	84.2	Confident	84 Å²	84	83.9 Å²	83.9	43%	0.431	41%	0.409	S	S	.	.	H	α-helix	trans	-62.1	-52.4	176.3	-68.3	165.5	0	0	0	110.1	L371 R373 N377 M378 E379	L371-I375 HydrophobicContact CD1-CD1 4.19Å; L371-I375 HydrophobicContact CD1-CG1 4.46Å; L371-I375 HydrophobicContact CG-CD1 4Å; L371-I375 WeakPolarHBondContact O-CG1 3.39Å; L371-I375 PolarHBondContact O-N 3.07Å; R373-I375 VanDerWaalsContact C-N 3.3Å; R373-I375 PolarHBondContact O-N 3.03Å; I375-N377 VanDerWaalsContact C-N 3.33Å; I375-N377 PolarHBondContact O-N 2.86Å; I375-M378 PolarHBondContact O-N 2.97Å; I375-E379 HydrophobicContact CG2-CG 4.24Å; I375-E379 WeakPolarHBondContact O-CG 3.39Å; I375-E379 PolarHBondContact O-N 3.07Å
376	S	88.9	Confident	84	Confident	59 Å²	59	80.7 Å²	80.7	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-36.6	-179	-175.4	0	0	0	0	113.4	R372 R373 T380	R372-S376 WeakPolarHBondContact O-CB 3.28Å; R372-S376 PolarHBondContact O-N 3.47Å; R372-S376 VanDerWaalsContact O-N 3.12Å; R373-S376 PolarHBondContact O-N 3.38Å; S376-T380 WeakPolarHBondContact O-CB 3.32Å; S376-T380 PolarHBondContact O-N 3.25Å; S376-T380 PolarHBondContact O-OG1 3.4Å
377	N	81.5	Confident	84.2	Confident	77 Å²	77	81.4 Å²	81.4	41%	0.412	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-47	171.1	-74	6.1	0	0	0	111.4	R373 I375 T380 F381 I743	R373-N377 WeakPolarHBondContact O-CB 3.27Å; R373-N377 VanDerWaalsContact O-CG 3.23Å; R373-N377 PolarHBondContact O-N 3.23Å; R373-N377 PolarHBondContact O-OD1 3.04Å; I375-N377 VanDerWaalsContact C-N 3.33Å; I375-N377 PolarHBondContact O-N 2.86Å; N377-T380 WeakPolarHBondContact O-CB 3.47Å; N377-T380 PolarHBondContact O-N 3.13Å; N377-F381 WeakPolarHBondContact O-CB 3.4Å; N377-F381 PolarHBondContact O-N 2.89Å; N377-I743 VanDerWaalsContact CB-O 3.24Å; N377-I743 WeakPolarHBondContact CB-O 3.18Å; N377-I743 PolarHBondContact ND2-O 3.27Å
378	M	79.1	Confident	84.5	Confident	66 Å²	66	83.4 Å²	83.4	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-69.3	-38.9	-177.2	-168.3	171.1	-174.7	0	0	112	N374 I375 T380 F381 I382 I503 I743	N374-M378 WeakPolarHBondContact O-CB 3.35Å; N374-M378 PolarHBondContact O-N 3.35Å; I375-M378 PolarHBondContact O-N 2.97Å; M378-T380 VanDerWaalsContact C-N 3.34Å; M378-F381 PolarHBondContact O-N 3.24Å; M378-I382 HydrophobicContact CE-CD1 4.47Å; M378-I382 HydrophobicContact CG-CD1 4Å; M378-I382 WeakPolarHBondContact O-CB 3.23Å; M378-I382 WeakPolarHBondContact O-CD1 3.33Å; M378-I382 VanDerWaalsContact O-CG1 3.24Å; M378-I382 WeakPolarHBondContact O-CG1 3.46Å; M378-I382 PolarHBondContact O-N 3.37Å; M378-I503 WeakPolarHBondContact CE-O 3.47Å; M378-I743 HydrophobicContact CB-CG2 3.94Å; M378-I743 HydrophobicContact CG-CG2 4.14Å
379	E	86	Confident	84.5	Confident	109 Å²	109	82.4 Å²	82.4	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-58	-46.3	168.5	-71.2	172.7	149.4	0	0	110.9	I375 F381 I382 N383	I375-E379 HydrophobicContact CG2-CG 4.24Å; I375-E379 WeakPolarHBondContact O-CG 3.39Å; I375-E379 PolarHBondContact O-N 3.07Å; E379-F381 PolarHBondContact O-N 3.04Å; E379-I382 PolarHBondContact O-N 3.16Å; E379-N383 PolarHBondContact O-N 2.8Å; E379-N383 PolarHBondContact O-ND2 2.76Å
380	T	86.2	Confident	84.6	Confident	69 Å²	69	81.8 Å²	81.8	42%	0.423	40%	0.403	S	S	.	.	H	α-helix	trans	-62.4	-44.1	178.7	-56.4	0	0	0	0	111.4	S376 N377 M378 N383 Q384	S376-T380 WeakPolarHBondContact O-CB 3.32Å; S376-T380 PolarHBondContact O-N 3.25Å; S376-T380 PolarHBondContact O-OG1 3.4Å; N377-T380 WeakPolarHBondContact O-CB 3.47Å; N377-T380 PolarHBondContact O-N 3.13Å; M378-T380 VanDerWaalsContact C-N 3.34Å; T380-N383 PolarHBondContact O-N 2.84Å; T380-Q384 VanDerWaalsContact O-CG 3.31Å; T380-Q384 WeakPolarHBondContact O-CG 3.42Å; T380-Q384 PolarHBondContact O-N 3.25Å
381	F	80.3	Confident	85	Confident	62 Å²	62	88.1 Å²	88.1	27%	0.272	43%	0.433	S	S	.	.	H	α-helix	trans	-64.6	-46.2	178.6	-174.4	-86.8	0	0	0	112.4	N377 M378 E379 N383 Q384 E385 I503 I743	N377-F381 WeakPolarHBondContact O-CB 3.4Å; N377-F381 PolarHBondContact O-N 2.89Å; M378-F381 PolarHBondContact O-N 3.24Å; E379-F381 PolarHBondContact O-N 3.04Å; F381-N383 VanDerWaalsContact C-N 3.34Å; F381-N383 PolarHBondContact O-N 3.12Å; F381-Q384 PolarHBondContact O-N 2.88Å; F381-E385 HydrophobicContact CD1-CG 4.21Å; F381-E385 HydrophobicContact CE1-CG 3.67Å; F381-E385 HydrophobicContact CZ-CG 3.95Å; F381-E385 PolarHBondContact O-N 3.39Å; F381-I503 HydrophobicContact CD1-CD1 4.23Å; F381-I503 HydrophobicContact CE1-CD1 3.49Å; F381-I503 VanDerWaalsContact CE1-CD1 3.49Å; F381-I503 HydrophobicContact CZ-CD1 3.99Å; F381-I743 HydrophobicContact CB-CG1 4.33Å; F381-I743 HydrophobicContact CD1-CD1 4.02Å; F381-I743 HydrophobicContact CD1-CG1 4.39Å; F381-I743 HydrophobicContact CD2-CD1 4.1Å; F381-I743 HydrophobicContact CD2-CG1 3.86Å; F381-I743 HydrophobicContact CE1-CD1 4.09Å; F381-I743 HydrophobicContact CE2-CD1 4.15Å; F381-I743 HydrophobicContact CE2-CG1 4.3Å; F381-I743 HydrophobicContact CG-CD1 4.05Å; F381-I743 HydrophobicContact CG-CG1 3.92Å; F381-I743 HydrophobicContact CZ-CD1 4.16Å
382	I	80.6	Confident	85.1	Confident	88 Å²	88	86.1 Å²	86.1	45%	0.451	43%	0.431	S	S	.	.	H	α-helix	trans	-60.6	-44.2	177.9	-70.7	165.5	0	0	0	110.8	M378 E379 I386	M378-I382 HydrophobicContact CE-CD1 4.47Å; M378-I382 HydrophobicContact CG-CD1 4Å; M378-I382 WeakPolarHBondContact O-CB 3.23Å; M378-I382 WeakPolarHBondContact O-CD1 3.33Å; M378-I382 VanDerWaalsContact O-CG1 3.24Å; M378-I382 WeakPolarHBondContact O-CG1 3.46Å; M378-I382 PolarHBondContact O-N 3.37Å; E379-I382 PolarHBondContact O-N 3.16Å; I382-I386 HydrophobicContact CG2-CG1 4.5Å; I382-I386 WeakPolarHBondContact O-CB 3.4Å; I382-I386 VanDerWaalsContact O-CG1 3.26Å; I382-I386 WeakPolarHBondContact O-CG1 3.36Å; I382-I386 PolarHBondContact O-N 3.45Å; I382-I386 VanDerWaalsContact O-N 3.12Å
383	N	86.8	Confident	85	Confident	94 Å²	94	83 Å²	83	50%	0.503	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-43.1	176.8	-73.2	-60.1	0	0	0	111.5	E379 T380 F381 E385 I386 D387	E379-N383 PolarHBondContact O-N 2.8Å; E379-N383 PolarHBondContact O-ND2 2.76Å; T380-N383 PolarHBondContact O-N 2.84Å; F381-N383 VanDerWaalsContact C-N 3.34Å; F381-N383 PolarHBondContact O-N 3.12Å; N383-E385 PolarHBondContact O-N 2.74Å; N383-I386 PolarHBondContact O-N 3.09Å; N383-D387 WeakPolarHBondContact O-CB 3.4Å; N383-D387 PolarHBondContact O-N 2.87Å
384	Q	85.4	Confident	85.3	Confident	116 Å²	116	81.6 Å²	81.6	54%	0.542	42%	0.424	S	S	.	.	H	α-helix	trans	-61	-45.3	178.7	-75.5	172.8	-4.9	0	0	113.3	T380 F381 D387 M388	T380-Q384 VanDerWaalsContact O-CG 3.31Å; T380-Q384 WeakPolarHBondContact O-CG 3.42Å; T380-Q384 PolarHBondContact O-N 3.25Å; F381-Q384 PolarHBondContact O-N 2.88Å; Q384-D387 PolarHBondContact O-N 2.9Å; Q384-M388 WeakPolarHBondContact O-CG 3.4Å; Q384-M388 PolarHBondContact O-N 2.97Å
385	E	80.9	Confident	85.6	Confident	83 Å²	83	86.1 Å²	86.1	39%	0.388	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-39.3	176.8	-72.9	-67.1	137.7	0	0	112.2	F381 N383 M388 L389	F381-E385 HydrophobicContact CD1-CG 4.21Å; F381-E385 HydrophobicContact CE1-CG 3.67Å; F381-E385 HydrophobicContact CZ-CG 3.95Å; F381-E385 PolarHBondContact O-N 3.39Å; N383-E385 PolarHBondContact O-N 2.74Å; E385-M388 VanDerWaalsContact OE1-CE 3.29Å; E385-M388 WeakPolarHBondContact OE1-CE 3.02Å; E385-L389 PolarHBondContact O-N 2.78Å
386	I	84	Confident	85.7	Confident	65 Å²	65	87.5 Å²	87.5	33%	0.333	45%	0.447	S	S	.	.	H	α-helix	trans	-68.9	-40.7	176.1	-66.8	-66.1	0	0	0	111.5	I382 N383 M388 L389 I390 L500	I382-I386 HydrophobicContact CG2-CG1 4.5Å; I382-I386 WeakPolarHBondContact O-CB 3.4Å; I382-I386 VanDerWaalsContact O-CG1 3.26Å; I382-I386 WeakPolarHBondContact O-CG1 3.36Å; I382-I386 PolarHBondContact O-N 3.45Å; I382-I386 VanDerWaalsContact O-N 3.12Å; N383-I386 PolarHBondContact O-N 3.09Å; I386-M388 PolarHBondContact O-N 3.07Å; I386-L389 PolarHBondContact O-N 3.29Å; I386-I390 HydrophobicContact CG2-CD1 3.84Å; I386-I390 HydrophobicContact CG2-CG1 4.46Å; I386-I390 WeakPolarHBondContact O-CG1 3.31Å; I386-I390 PolarHBondContact O-N 3.46Å; I386-L500 HydrophobicContact CD1-CD1 4.18Å
387	D	88.6	Confident	85.7	Confident	90 Å²	90	90.8 Å²	90.8	48%	0.481	45%	0.451	S	S	.	.	H	α-helix	trans	-62.9	-40	176.9	-78.3	-30.5	0	0	0	111.3	N383 Q384 L389 I390 E391	N383-D387 WeakPolarHBondContact O-CB 3.4Å; N383-D387 PolarHBondContact O-N 2.87Å; Q384-D387 PolarHBondContact O-N 2.9Å; D387-L389 PolarHBondContact O-N 2.85Å; D387-I390 WeakPolarHBondContact O-CB 3.49Å; D387-I390 PolarHBondContact O-N 3.02Å; D387-E391 WeakPolarHBondContact O-CG 3.29Å; D387-E391 PolarHBondContact O-N 2.95Å
388	M	87.2	Confident	86.2	Confident	104 Å²	104	90 Å²	90	51%	0.512	45%	0.449	S	S	.	.	H	α-helix	trans	-60	-41.7	172.9	-72.7	-160.6	-59.8	0	0	112.8	Q384 E385 I386 I390 E391 A392	Q384-M388 WeakPolarHBondContact O-CG 3.4Å; Q384-M388 PolarHBondContact O-N 2.97Å; E385-M388 VanDerWaalsContact OE1-CE 3.29Å; E385-M388 WeakPolarHBondContact OE1-CE 3.02Å; I386-M388 PolarHBondContact O-N 3.07Å; M388-I390 VanDerWaalsContact C-N 3.34Å; M388-E391 PolarHBondContact O-N 2.66Å; M388-A392 PolarHBondContact O-N 3.45Å
389	L	84.9	Confident	86.7	Confident	72 Å²	72	89.8 Å²	89.8	38%	0.377	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-38.2	175.8	-69.3	172.5	0	0	0	111.6	E385 I386 D387 L393	E385-L389 PolarHBondContact O-N 2.78Å; I386-L389 PolarHBondContact O-N 3.29Å; D387-L389 PolarHBondContact O-N 2.85Å; L389-L393 WeakPolarHBondContact O-CG 3.07Å; L389-L393 PolarHBondContact O-N 2.83Å; L389-L393 VanDerWaalsContact O-N 3.09Å
390	I	88.8	Confident	86.6	Confident	73 Å²	73	88.9 Å²	88.9	37%	0.374	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-46.5	174.2	-72.2	167.9	0	0	0	110.6	I386 D387 M388 L393 Q394	I386-I390 HydrophobicContact CG2-CD1 3.84Å; I386-I390 HydrophobicContact CG2-CG1 4.46Å; I386-I390 WeakPolarHBondContact O-CG1 3.31Å; I386-I390 PolarHBondContact O-N 3.46Å; D387-I390 WeakPolarHBondContact O-CB 3.49Å; D387-I390 PolarHBondContact O-N 3.02Å; M388-I390 VanDerWaalsContact C-N 3.34Å; I390-L393 PolarHBondContact O-N 3.49Å; I390-Q394 HydrophobicContact CG2-CG 4.35Å; I390-Q394 VanDerWaalsContact CG2-NE2 3.33Å; I390-Q394 WeakPolarHBondContact O-CB 3.18Å; I390-Q394 VanDerWaalsContact O-CG 3.28Å; I390-Q394 WeakPolarHBondContact O-CG 3.41Å; I390-Q394 PolarHBondContact O-N 2.67Å
391	E	91.4	Very high	86.7	Confident	140 Å²	140	89.5 Å²	89.5	65%	0.654	45%	0.445	S	S	*	.	H	α-helix	trans	-60	-46.4	177.4	-74.1	-165.9	155.3	0	0	111.8	D387 M388 L393 Q394 E395	D387-E391 WeakPolarHBondContact O-CG 3.29Å; D387-E391 PolarHBondContact O-N 2.95Å; M388-E391 PolarHBondContact O-N 2.66Å; E391-L393 VanDerWaalsContact C-N 3.35Å; E391-L393 PolarHBondContact O-N 2.86Å; E391-Q394 CarbonylContact O-C 3.44Å; E391-Q394 PolarHBondContact O-N 3.14Å; E391-Q394 VanDerWaalsContact O-N 3.11Å; E391-E395 PolarHBondContact O-N 2.94Å
392	A	85.4	Confident	87.2	Confident	58 Å²	58	92.4 Å²	92.4	48%	0.479	46%	0.459	S	S	.	.	H	α-helix	trans	-60.8	-40.7	177.6	0	0	0	0	0	112.8	M388 K396	M388-A392 PolarHBondContact O-N 3.45Å; A392-K396 PolarHBondContact O-N 3.43Å; A392-K396 VanDerWaalsContact O-N 3.07Å
393	L	85.7	Confident	87.4	Confident	93 Å²	93	93.1 Å²	93.1	49%	0.487	46%	0.464	S	S	.	.	H	α-helix	trans	-67.2	-37.8	173.9	-72.8	170.9	0	0	0	112.1	L389 I390 E391 K396 R397 I495	L389-L393 WeakPolarHBondContact O-CG 3.07Å; L389-L393 PolarHBondContact O-N 2.83Å; L389-L393 VanDerWaalsContact O-N 3.09Å; I390-L393 PolarHBondContact O-N 3.49Å; E391-L393 VanDerWaalsContact C-N 3.35Å; E391-L393 PolarHBondContact O-N 2.86Å; L393-K396 PolarHBondContact O-N 3.35Å; L393-R397 WeakPolarHBondContact O-CB 3.32Å; L393-R397 PolarHBondContact O-N 2.75Å; L393-I495 HydrophobicContact CD1-CD1 4.39Å
394	Q	91.9	Very high	87.3	Confident	87 Å²	87	91.6 Å²	91.6	41%	0.407	46%	0.456	S	S	.	.	H	α-helix	trans	-68.7	-37.4	176.6	-74.7	-161.9	72.9	0	0	112.7	I390 E391 R397 T398	I390-Q394 HydrophobicContact CG2-CG 4.35Å; I390-Q394 VanDerWaalsContact CG2-NE2 3.33Å; I390-Q394 WeakPolarHBondContact O-CB 3.18Å; I390-Q394 VanDerWaalsContact O-CG 3.28Å; I390-Q394 WeakPolarHBondContact O-CG 3.41Å; I390-Q394 PolarHBondContact O-N 2.67Å; E391-Q394 CarbonylContact O-C 3.44Å; E391-Q394 PolarHBondContact O-N 3.14Å; E391-Q394 VanDerWaalsContact O-N 3.11Å; Q394-R397 WeakPolarHBondContact O-CB 3.12Å; Q394-T398 PolarHBondContact O-N 2.9Å; Q394-T398 VanDerWaalsContact O-N 3.15Å; Q394-T398 PolarHBondContact O-OG1 3.17Å; Q394-T398 VanDerWaalsContact O-OG1 3.06Å
395	E	90.6	Very high	87.5	Confident	120 Å²	120	91.8 Å²	91.8	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-62.9	-47.3	171.9	-161.5	-153.3	147.3	0	0	110.3	E391 R397 T398 Q399	E391-E395 PolarHBondContact O-N 2.94Å; E395-R397 VanDerWaalsContact C-N 3.31Å; E395-R397 PolarHBondContact O-N 3.28Å; E395-T398 WeakPolarHBondContact O-CB 3.32Å; E395-T398 PolarHBondContact O-N 3.41Å; E395-Q399 WeakPolarHBondContact O-CG 3.02Å; E395-Q399 PolarHBondContact O-N 2.93Å; E395-Q399 PolarHBondContact OE1-NE2 3.08Å
396	K	85.5	Confident	87.9	Confident	113 Å²	113	90.6 Å²	90.6	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-62	-38.1	179.8	-157.8	74.1	-153.7	165.6	0	112.7	A392 L393 L400	A392-K396 PolarHBondContact O-N 3.43Å; A392-K396 VanDerWaalsContact O-N 3.07Å; L393-K396 PolarHBondContact O-N 3.35Å; K396-L400 WeakPolarHBondContact O-CG 3.18Å; K396-L400 PolarHBondContact O-N 3.34Å; K396-L400 VanDerWaalsContact O-N 3.12Å
397	R	88.8	Confident	87.9	Confident	127 Å²	127	90.6 Å²	90.6	48%	0.479	46%	0.456	S	S	.	.	H	α-helix	trans	-57.3	-47.6	170.5	174.7	-167.2	66	-164.4	-4.9	111.4	L393 Q394 E395 L400 I401	L393-R397 WeakPolarHBondContact O-CB 3.32Å; L393-R397 PolarHBondContact O-N 2.75Å; Q394-R397 WeakPolarHBondContact O-CB 3.12Å; E395-R397 VanDerWaalsContact C-N 3.31Å; E395-R397 PolarHBondContact O-N 3.28Å; R397-L400 PolarHBondContact O-N 3.2Å; R397-I401 HydrophobicContact CG-CD1 3.97Å; R397-I401 WeakPolarHBondContact O-CG1 3.46Å; R397-I401 PolarHBondContact O-N 3.16Å; R397-I401 VanDerWaalsContact O-N 3.13Å
398	T	93.1	Very high	87.7	Confident	62 Å²	62	88 Å²	88	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-62.2	-49	179.4	-56.1	0	0	0	0	111.3	Q394 E395 L400 I401 E402	Q394-T398 PolarHBondContact O-N 2.9Å; Q394-T398 VanDerWaalsContact O-N 3.15Å; Q394-T398 PolarHBondContact O-OG1 3.17Å; Q394-T398 VanDerWaalsContact O-OG1 3.06Å; E395-T398 WeakPolarHBondContact O-CB 3.32Å; E395-T398 PolarHBondContact O-N 3.41Å; T398-L400 VanDerWaalsContact C-N 3.28Å; T398-L400 PolarHBondContact O-N 3.25Å; T398-I401 PolarHBondContact O-N 2.99Å; T398-I401 VanDerWaalsContact O-N 3.08Å; T398-E402 HydrophobicContact CG2-CG 4.43Å; T398-E402 WeakPolarHBondContact O-CG 3.48Å; T398-E402 PolarHBondContact O-N 2.59Å
399	Q	87.8	Confident	87.8	Confident	60 Å²	60	90 Å²	90	28%	0.28	45%	0.451	S	S	.	.	H	α-helix	trans	-55.3	-40.7	176.8	-66.3	177.1	8.5	0	0	112.5	E395 N403	E395-Q399 WeakPolarHBondContact O-CG 3.02Å; E395-Q399 PolarHBondContact O-N 2.93Å; E395-Q399 PolarHBondContact OE1-NE2 3.08Å; Q399-N403 WeakPolarHBondContact O-CB 3.34Å; Q399-N403 PolarHBondContact O-N 3.3Å; Q399-N403 VanDerWaalsContact O-N 3.11Å; Q399-N403 PolarHBondContact O-ND2 2.95Å
400	L	84.8	Confident	87.8	Confident	91 Å²	91	92.8 Å²	92.8	48%	0.476	46%	0.462	S	S	.	.	H	α-helix	trans	-68.6	-37.5	178.4	-71.8	169.7	0	0	0	112.6	K396 R397 T398 L404	K396-L400 WeakPolarHBondContact O-CG 3.18Å; K396-L400 PolarHBondContact O-N 3.34Å; K396-L400 VanDerWaalsContact O-N 3.12Å; R397-L400 PolarHBondContact O-N 3.2Å; T398-L400 VanDerWaalsContact C-N 3.28Å; T398-L400 PolarHBondContact O-N 3.25Å; L400-L404 PolarHBondContact O-N 2.83Å; L400-L404 VanDerWaalsContact O-N 3.11Å
401	I	89	Confident	87.5	Confident	82 Å²	82	92.9 Å²	92.9	42%	0.421	46%	0.458	S	S	.	.	H	α-helix	trans	-69	-41.9	177.1	-71.4	169.7	0	0	0	111.1	R397 T398 L404 H405	R397-I401 HydrophobicContact CG-CD1 3.97Å; R397-I401 WeakPolarHBondContact O-CG1 3.46Å; R397-I401 PolarHBondContact O-N 3.16Å; R397-I401 VanDerWaalsContact O-N 3.13Å; T398-I401 PolarHBondContact O-N 2.99Å; T398-I401 VanDerWaalsContact O-N 3.08Å; I401-L404 PolarHBondContact O-N 2.76Å; I401-H405 PolarHBondContact O-CD2 2.6Å; I401-H405 PolarHBondContact O-N 2.84Å
402	E	89.7	Confident	87.3	Confident	122 Å²	122	93.1 Å²	93.1	57%	0.57	45%	0.453	S	S	*	.	H	α-helix	trans	-63.7	-41.8	175.9	-70.5	-178	152	0	0	112.3	T398 H405 S406	T398-E402 HydrophobicContact CG2-CG 4.43Å; T398-E402 WeakPolarHBondContact O-CG 3.48Å; T398-E402 PolarHBondContact O-N 2.59Å; E402-H405 PolarHBondContact O-N 3.37Å; E402-S406 WeakPolarHBondContact O-CB 3.14Å; E402-S406 PolarHBondContact O-N 2.91Å
403	N	86.3	Confident	87.4	Confident	104 Å²	104	94.4 Å²	94.4	56%	0.556	45%	0.449	S	S	*	.	H	α-helix	trans	-60.7	-45.2	174.4	-77.5	-49.1	0	0	0	112	Q399 H405 S406 E407	Q399-N403 WeakPolarHBondContact O-CB 3.34Å; Q399-N403 PolarHBondContact O-N 3.3Å; Q399-N403 VanDerWaalsContact O-N 3.11Å; Q399-N403 PolarHBondContact O-ND2 2.95Å; N403-H405 PolarHBondContact O-N 2.91Å; N403-S406 PolarHBondContact O-N 3.07Å; N403-E407 PolarHBondContact O-N 2.88Å
404	L	84.6	Confident	87.4	Confident	62 Å²	62	93.7 Å²	93.7	33%	0.325	44%	0.44	S	S	.	.	H	α-helix	trans	-58.4	-47	173.7	172.1	59.8	0	0	0	111.6	L400 I401 S406 E407 V408 L483	L400-L404 PolarHBondContact O-N 2.83Å; L400-L404 VanDerWaalsContact O-N 3.11Å; I401-L404 PolarHBondContact O-N 2.76Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3Å; L404-E407 PolarHBondContact O-N 2.88Å; L404-V408 HydrophobicContact CD1-CG2 3.88Å; L404-V408 HydrophobicContact CG-CG2 4.44Å; L404-V408 WeakPolarHBondContact O-CB 3.3Å; L404-V408 VanDerWaalsContact O-CG2 3.22Å; L404-V408 WeakPolarHBondContact O-CG2 3.23Å; L404-V408 PolarHBondContact O-N 3.32Å; L404-L483 HydrophobicContact CB-CD1 3.85Å; L404-L483 HydrophobicContact CD1-CB 4.4Å; L404-L483 HydrophobicContact CD1-CD1 3.67Å; L404-L483 HydrophobicContact CG-CD1 4.29Å
405	H	89.1	Confident	87.1	Confident	120 Å²	120	93.6 Å²	93.6	56%	0.556	44%	0.442	S	S	*	.	H	α-helix	trans	-63.2	-39.3	178.6	-76.4	-53.9	0	0	0	112.5	I401 E402 N403 V408 Q409	I401-H405 PolarHBondContact O-CD2 2.6Å; I401-H405 PolarHBondContact O-N 2.84Å; E402-H405 PolarHBondContact O-N 3.37Å; N403-H405 PolarHBondContact O-N 2.91Å; H405-V408 PolarHBondContact O-N 2.73Å; H405-Q409 VanDerWaalsContact O-CB 3.26Å; H405-Q409 WeakPolarHBondContact O-CB 3.3Å; H405-Q409 PolarHBondContact O-N 2.72Å
406	S	88.4	Confident	87	Confident	57 Å²	57	94.4 Å²	94.4	40%	0.399	44%	0.44	S	S	.	.	H	α-helix	trans	-61.9	-48.4	175	-171.4	0	0	0	0	111.8	E402 N403 L404 V408 Q409 Q410	E402-S406 WeakPolarHBondContact O-CB 3.14Å; E402-S406 PolarHBondContact O-N 2.91Å; N403-S406 PolarHBondContact O-N 3.07Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3Å; S406-V408 PolarHBondContact O-N 2.87Å; S406-Q409 PolarHBondContact O-N 3.13Å; S406-Q410 WeakPolarHBondContact O-CG 3.43Å; S406-Q410 PolarHBondContact O-N 3.46Å; S406-Q410 PolarHBondContact OG-NE2 2.83Å
407	E	83.4	Confident	87.2	Confident	66 Å²	66	93.6 Å²	93.6	31%	0.308	44%	0.437	S	S	.	.	H	α-helix	trans	-64.7	-40.4	178.6	-164.2	-174.5	177.1	0	0	112	N403 L404 Q409 Q410 R411 F481	N403-E407 PolarHBondContact O-N 2.88Å; L404-E407 PolarHBondContact O-N 2.88Å; E407-Q409 VanDerWaalsContact C-N 3.34Å; E407-Q409 PolarHBondContact O-N 2.79Å; E407-Q410 PolarHBondContact O-N 2.94Å; E407-R411 VanDerWaalsContact CD-NH1 3.25Å; E407-R411 PolarHBondContact O-N 2.9Å; E407-R411 IonicContact OE1-CZ 2.63Å; E407-R411 IonicContact OE1-NH1 3.66Å; E407-R411 PolarHBondContact OE1-NH1 2.81Å; E407-R411 IonicContact OE1-NH2 2.68Å; E407-R411 PolarHBondContact OE1-NH2 2.87Å; E407-F481 HydrophobicContact CG-CE1 4.49Å
408	V	85.1	Confident	87.1	Confident	35 Å²	35	88.9 Å²	88.9	21%	0.212	42%	0.421	C	S	.	.	H	α-helix	trans	-61.8	-41.1	172.8	169	0	0	0	0	111.5	L404 H405 S406 R412 F481	L404-V408 HydrophobicContact CD1-CG2 3.88Å; L404-V408 HydrophobicContact CG-CG2 4.44Å; L404-V408 WeakPolarHBondContact O-CB 3.3Å; L404-V408 VanDerWaalsContact O-CG2 3.22Å; L404-V408 WeakPolarHBondContact O-CG2 3.23Å; L404-V408 PolarHBondContact O-N 3.32Å; H405-V408 PolarHBondContact O-N 2.73Å; S406-V408 PolarHBondContact O-N 2.87Å; V408-R412 WeakPolarHBondContact O-CB 3.11Å; V408-R412 PolarHBondContact O-N 2.85Å; V408-F481 HydrophobicContact CB-CE1 4.31Å; V408-F481 HydrophobicContact CB-CZ 4.23Å; V408-F481 HydrophobicContact CG2-CD1 4.2Å; V408-F481 HydrophobicContact CG2-CE1 3.5Å; V408-F481 VanDerWaalsContact CG2-CE1 3.5Å; V408-F481 HydrophobicContact CG2-CE2 4.4Å; V408-F481 HydrophobicContact CG2-CZ 3.64Å
409	Q	88.8	Confident	86.9	Confident	146 Å²	146	90.2 Å²	90.2	68%	0.682	43%	0.429	S	S	*	.	H	α-helix	trans	-68.8	-41.2	178.9	-178.2	165.3	-33.1	0	0	111.9	H405 S406 E407 R412 Q413	H405-Q409 VanDerWaalsContact O-CB 3.26Å; H405-Q409 WeakPolarHBondContact O-CB 3.3Å; H405-Q409 PolarHBondContact O-N 2.72Å; S406-Q409 PolarHBondContact O-N 3.13Å; E407-Q409 VanDerWaalsContact C-N 3.34Å; E407-Q409 PolarHBondContact O-N 2.79Å; Q409-R412 PolarHBondContact O-N 2.93Å; Q409-Q413 PolarHBondContact O-N 3.03Å
410	Q	85.7	Confident	87.1	Confident	130 Å²	130	92.8 Å²	92.8	61%	0.607	45%	0.445	S	S	*	.	H	α-helix	trans	-63.3	-49.5	175.2	-70.7	176.3	26.2	0	0	111.8	S406 E407 R412 Q413 Y414	S406-Q410 WeakPolarHBondContact O-CG 3.43Å; S406-Q410 PolarHBondContact O-N 3.46Å; S406-Q410 PolarHBondContact OG-NE2 2.83Å; E407-Q410 PolarHBondContact O-N 2.94Å; Q410-R412 VanDerWaalsContact C-N 3.32Å; Q410-R412 PolarHBondContact O-N 2.88Å; Q410-Q413 PolarHBondContact O-N 3.44Å; Q410-Q413 VanDerWaalsContact O-N 3.14Å; Q410-Y414 PolarHBondContact O-N 3.3Å
411	R	82.9	Confident	87.3	Confident	75 Å²	75	92.9 Å²	92.9	28%	0.283	44%	0.443	S	S	.	.	H	α-helix	trans	-61.1	-39.7	175.3	-74.6	-163.8	179.8	97.1	18.6	112.3	E407 Q413 Y414 I415 L478 F481	E407-R411 VanDerWaalsContact CD-NH1 3.25Å; E407-R411 PolarHBondContact O-N 2.9Å; E407-R411 IonicContact OE1-CZ 2.63Å; E407-R411 IonicContact OE1-NH1 3.66Å; E407-R411 PolarHBondContact OE1-NH1 2.81Å; E407-R411 IonicContact OE1-NH2 2.68Å; E407-R411 PolarHBondContact OE1-NH2 2.87Å; R411-Q413 VanDerWaalsContact C-N 3.29Å; R411-Q413 PolarHBondContact O-N 2.88Å; R411-Y414 PolarHBondContact O-N 2.89Å; R411-I415 WeakPolarHBondContact O-CB 3.16Å; R411-I415 VanDerWaalsContact O-CG1 3.29Å; R411-I415 WeakPolarHBondContact O-CG1 3.3Å; R411-I415 PolarHBondContact O-N 2.86Å; R411-L478 HydrophobicContact CG-CD1 4.32Å; R411-F481 HydrophobicContact CB-CZ 4.25Å; R411-F481 HydrophobicContact CG-CZ 4.44Å
412	R	85.8	Confident	87.3	Confident	146 Å²	146	90.2 Å²	90.2	55%	0.551	43%	0.433	S	S	*	.	H	α-helix	trans	-62.9	-35	175.9	-173.1	-177.2	-61.3	178.8	1.3	112.3	V408 Q409 Q410 R416	V408-R412 WeakPolarHBondContact O-CB 3.11Å; V408-R412 PolarHBondContact O-N 2.85Å; Q409-R412 PolarHBondContact O-N 2.93Å; Q410-R412 VanDerWaalsContact C-N 3.32Å; Q410-R412 PolarHBondContact O-N 2.88Å; R412-R416 WeakPolarHBondContact O-CG 3.4Å; R412-R416 PolarHBondContact O-N 3.22Å
413	Q	88.9	Confident	87.5	Confident	84 Å²	84	86.2 Å²	86.2	39%	0.393	42%	0.424	S	S	.	.	H	α-helix	trans	-71.1	-48.1	176.1	-175.9	58.7	21.6	0	0	111.4	Q409 Q410 R411 I415 R416 E417	Q409-Q413 PolarHBondContact O-N 3.03Å; Q410-Q413 PolarHBondContact O-N 3.44Å; Q410-Q413 VanDerWaalsContact O-N 3.14Å; R411-Q413 VanDerWaalsContact C-N 3.29Å; R411-Q413 PolarHBondContact O-N 2.88Å; Q413-I415 VanDerWaalsContact C-N 3.34Å; Q413-I415 PolarHBondContact O-N 3.46Å; Q413-R416 WeakPolarHBondContact O-CB 3.42Å; Q413-R416 PolarHBondContact O-N 3.04Å; Q413-R416 VanDerWaalsContact O-N 3.1Å; Q413-E417 WeakPolarHBondContact CG-OE1 3.39Å; Q413-E417 PolarHBondContact NE2-OE1 2.87Å; Q413-E417 PolarHBondContact O-N 3.03Å
414	Y	85.7	Confident	87.8	Confident	78 Å²	78	84.5 Å²	84.5	31%	0.306	42%	0.42	S	S	.	.	H	α-helix	trans	-56.2	-45.6	175.5	178.4	-101.7	0	0	0	112.4	Q410 R411 R416 E417 Q418	Q410-Y414 PolarHBondContact O-N 3.3Å; R411-Y414 PolarHBondContact O-N 2.89Å; Y414-R416 VanDerWaalsContact C-N 3.31Å; Y414-R416 PolarHBondContact O-N 3.49Å; Y414-E417 PolarHBondContact O-N 3.49Å; Y414-E417 VanDerWaalsContact O-N 3.17Å; Y414-Q418 HydrophobicContact CD1-CG 4.33Å; Y414-Q418 HydrophobicContact CE1-CG 3.92Å; Y414-Q418 HydrophobicContact CE2-CG 4.31Å; Y414-Q418 WeakPolarHBondContact O-CG 3.16Å; Y414-Q418 PolarHBondContact O-N 2.8Å
415	I	84.4	Confident	88.2	Confident	85 Å²	85	84.9 Å²	84.9	44%	0.436	42%	0.418	S	S	.	.	H	α-helix	trans	-63.5	-35.6	178.2	-68.9	166.7	0	0	0	111.7	R411 Q413 T419	R411-I415 WeakPolarHBondContact O-CB 3.16Å; R411-I415 VanDerWaalsContact O-CG1 3.29Å; R411-I415 WeakPolarHBondContact O-CG1 3.3Å; R411-I415 PolarHBondContact O-N 2.86Å; Q413-I415 VanDerWaalsContact C-N 3.34Å; Q413-I415 PolarHBondContact O-N 3.46Å; I415-T419 WeakPolarHBondContact O-CB 3.31Å; I415-T419 PolarHBondContact O-N 2.83Å; I415-T419 PolarHBondContact O-OG1 2.9Å
416	R	89.6	Confident	88.5	Confident	138 Å²	138	83.8 Å²	83.8	52%	0.521	42%	0.415	S	S	.	.	H	α-helix	trans	-65.6	-42.5	172.8	-77.6	173.1	176.1	159.8	-5.2	112.3	R412 Q413 Y414 T419 N420	R412-R416 WeakPolarHBondContact O-CG 3.4Å; R412-R416 PolarHBondContact O-N 3.22Å; Q413-R416 WeakPolarHBondContact O-CB 3.42Å; Q413-R416 PolarHBondContact O-N 3.04Å; Q413-R416 VanDerWaalsContact O-N 3.1Å; Y414-R416 VanDerWaalsContact C-N 3.31Å; Y414-R416 PolarHBondContact O-N 3.49Å; R416-T419 PolarHBondContact O-N 2.85Å; R416-N420 WeakPolarHBondContact O-CB 3.41Å; R416-N420 PolarHBondContact O-N 2.86Å; R416-N420 PolarHBondContact O-ND2 2.91Å
417	E	89.7	Confident	88.8	Confident	95 Å²	95	84.5 Å²	84.5	44%	0.444	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-45.4	179.5	-73.1	162.9	-172.3	0	0	110.7	Q413 Y414 T419 N420 Q421	Q413-E417 WeakPolarHBondContact CG-OE1 3.39Å; Q413-E417 PolarHBondContact NE2-OE1 2.87Å; Q413-E417 PolarHBondContact O-N 3.03Å; Y414-E417 PolarHBondContact O-N 3.49Å; Y414-E417 VanDerWaalsContact O-N 3.17Å; E417-T419 PolarHBondContact O-N 3.24Å; E417-N420 PolarHBondContact O-N 2.76Å; E417-Q421 WeakPolarHBondContact O-CB 3.42Å; E417-Q421 PolarHBondContact O-N 2.85Å
418	Q	86.3	Confident	89.4	Confident	29 Å²	29	84.9 Å²	84.9	14%	0.136	43%	0.43	C	S	.	.	H	α-helix	trans	-59.3	-44.6	171.1	-67.8	-58.4	-48.5	0	0	112.7	Y414 N420 Q421 A422	Y414-Q418 HydrophobicContact CD1-CG 4.33Å; Y414-Q418 HydrophobicContact CE1-CG 3.92Å; Y414-Q418 HydrophobicContact CE2-CG 4.31Å; Y414-Q418 WeakPolarHBondContact O-CG 3.16Å; Y414-Q418 PolarHBondContact O-N 2.8Å; Q418-N420 PolarHBondContact O-N 3.4Å; Q418-Q421 PolarHBondContact O-N 3.05Å; Q418-A422 WeakPolarHBondContact O-CB 3.48Å; Q418-A422 PolarHBondContact O-N 2.79Å
419	T	88.5	Confident	89.9	Confident	89 Å²	89	83.9 Å²	83.9	55%	0.546	42%	0.424	S	S	.	.	H	α-helix	trans	-61.8	-42.7	177.8	-57.9	0	0	0	0	111.7	I415 R416 E417 G423	I415-T419 WeakPolarHBondContact O-CB 3.31Å; I415-T419 PolarHBondContact O-N 2.83Å; I415-T419 PolarHBondContact O-OG1 2.9Å; R416-T419 PolarHBondContact O-N 2.85Å; E417-T419 PolarHBondContact O-N 3.24Å; T419-G423 PolarHBondContact O-N 3.44Å
420	N	92.1	Very high	90.3	Very high	114 Å²	114	79.6 Å²	79.6	61%	0.61	41%	0.408	S	S	*	.	H	α-helix	trans	-66.5	-43.2	177.9	-70.4	-19.8	0	0	0	111.4	R416 E417 Q418 G423 S424	R416-N420 WeakPolarHBondContact O-CB 3.41Å; R416-N420 PolarHBondContact O-N 2.86Å; R416-N420 PolarHBondContact O-ND2 2.91Å; E417-N420 PolarHBondContact O-N 2.76Å; Q418-N420 PolarHBondContact O-N 3.4Å; N420-G423 PolarHBondContact O-N 3.1Å; N420-S424 WeakPolarHBondContact O-CB 3.23Å; N420-S424 PolarHBondContact O-N 2.92Å
421	Q	89.9	Confident	90.8	Very high	93 Å²	93	76.7 Å²	76.7	44%	0.435	40%	0.402	S	S	.	.	H	α-helix	trans	-61.9	-53.4	178.1	-169.8	172.2	-44.5	0	0	111	E417 Q418 G423 S424 R425 E469	E417-Q421 WeakPolarHBondContact O-CB 3.42Å; E417-Q421 PolarHBondContact O-N 2.85Å; Q418-Q421 PolarHBondContact O-N 3.05Å; Q421-G423 VanDerWaalsContact C-N 3.32Å; Q421-G423 PolarHBondContact O-N 2.85Å; Q421-S424 PolarHBondContact O-N 3.45Å; Q421-S424 VanDerWaalsContact O-N 3.17Å; Q421-S424 PolarHBondContact O-OG 3.06Å; Q421-R425 PolarHBondContact O-N 3.21Å; Q421-E469 WeakPolarHBondContact CG-OE1 3.3Å; Q421-E469 PolarHBondContact NE2-OE1 2.96Å
422	A	89.2	Confident	91.4	Very high	26 Å²	26	73.7 Å²	73.7	22%	0.215	39%	0.392	C	S	.	.	H	α-helix	trans	-59.1	-39.7	175.2	0	0	0	0	0	112.8	Q418 R425 L426	Q418-A422 WeakPolarHBondContact O-CB 3.48Å; Q418-A422 PolarHBondContact O-N 2.79Å; A422-R425 PolarHBondContact O-N 2.77Å; A422-L426 VanDerWaalsContact O-CB 3.3Å; A422-L426 WeakPolarHBondContact O-CB 3.29Å; A422-L426 PolarHBondContact O-N 2.82Å
423	G	92.5	Very high	91.9	Very high	38 Å²	38	71 Å²	71	39%	0.392	39%	0.387	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.1	0	0	0	0	0	113.1	T419 N420 Q421 L426 S427	T419-G423 PolarHBondContact O-N 3.44Å; N420-G423 PolarHBondContact O-N 3.1Å; Q421-G423 VanDerWaalsContact C-N 3.32Å; Q421-G423 PolarHBondContact O-N 2.85Å; G423-L426 PolarHBondContact O-N 2.89Å; G423-S427 WeakPolarHBondContact O-CB 3.44Å; G423-S427 PolarHBondContact O-N 2.88Å
424	S	93.6	Very high	92.3	Very high	68 Å²	68	74.6 Å²	74.6	48%	0.476	40%	0.399	S	S	.	.	H	α-helix	trans	-65.6	-40.3	175.8	77.5	0	0	0	0	112.4	N420 Q421 S427 S428	N420-S424 WeakPolarHBondContact O-CB 3.23Å; N420-S424 PolarHBondContact O-N 2.92Å; Q421-S424 PolarHBondContact O-N 3.45Å; Q421-S424 VanDerWaalsContact O-N 3.17Å; Q421-S424 PolarHBondContact O-OG 3.06Å; S424-S427 PolarHBondContact O-N 2.86Å; S424-S428 WeakPolarHBondContact O-CB 3.38Å; S424-S428 PolarHBondContact O-N 3.48Å; S424-S428 PolarHBondContact O-OG 3.37Å
425	R	93.3	Very high	92.8	Very high	71 Å²	71	75.9 Å²	75.9	27%	0.268	41%	0.406	S	S	.	.	H	α-helix	trans	-62	-50.6	174.9	-179.4	64.7	64.9	179.3	10.9	110.5	Q421 A422 S427 S428 T429 E465 L466 E469	Q421-R425 PolarHBondContact O-N 3.21Å; A422-R425 PolarHBondContact O-N 2.77Å; R425-S427 PolarHBondContact O-N 3.49Å; R425-S428 WeakPolarHBondContact O-CB 3.43Å; R425-S428 PolarHBondContact O-N 3.35Å; R425-T429 PolarHBondContact O-N 3.09Å; R425-T429 PolarHBondContact O-OG1 3.08Å; R425-T429 VanDerWaalsContact O-OG1 3.11Å; R425-E465 IonicContact CZ-OE2 2.72Å; R425-E465 IonicContact NH1-OE2 2.71Å; R425-E465 PolarHBondContact NH1-OE2 2.88Å; R425-L466 HydrophobicContact CG-CD1 3.93Å; R425-E469 HydrophobicContact CB-CG 4Å; R425-E469 HydrophobicContact CG-CB 4Å; R425-E469 HydrophobicContact CG-CG 3.94Å; R425-E469 IonicContact CZ-OE2 2.93Å; R425-E469 IonicContact NE-OE2 3.16Å; R425-E469 PolarHBondContact NE-OE2 2.96Å; R425-E469 IonicContact NH2-OE2 2.69Å; R425-E469 PolarHBondContact NH2-OE2 3.3Å
426	L	94.6	Very high	93.2	Very high	96 Å²	96	72.2 Å²	72.2	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-59.7	-45.4	178.5	-175.5	66.1	0	0	0	112	A422 G423 S428 T429 T430 L466	A422-L426 VanDerWaalsContact O-CB 3.3Å; A422-L426 WeakPolarHBondContact O-CB 3.29Å; A422-L426 PolarHBondContact O-N 2.82Å; G423-L426 PolarHBondContact O-N 2.89Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.39Å; L426-T429 PolarHBondContact O-N 3.05Å; L426-T430 WeakPolarHBondContact O-CB 3.4Å; L426-T430 PolarHBondContact O-N 3.45Å; L426-T430 PolarHBondContact O-OG1 3.36Å; L426-T430 VanDerWaalsContact O-OG1 3.09Å; L426-L466 HydrophobicContact CD1-CD1 4.45Å
427	S	95.9	Very high	93.5	Very high	73 Å²	73	69.2 Å²	69.2	51%	0.51	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-40.1	176.7	-176	0	0	0	0	112.3	G423 S424 R425 S431	G423-S427 WeakPolarHBondContact O-CB 3.44Å; G423-S427 PolarHBondContact O-N 2.88Å; S424-S427 PolarHBondContact O-N 2.86Å; R425-S427 PolarHBondContact O-N 3.49Å; S427-S431 WeakPolarHBondContact O-CB 3.12Å; S427-S431 PolarHBondContact O-N 3.17Å; S427-S431 PolarHBondContact O-OG 3.43Å
428	S	95.1	Very high	93.7	Very high	73 Å²	73	69.8 Å²	69.8	51%	0.51	39%	0.388	S	S	.	.	H	α-helix	trans	-64.9	-44.6	175.4	-56.8	0	0	0	0	111.8	S424 R425 L426 S431 L432	S424-S428 WeakPolarHBondContact O-CB 3.38Å; S424-S428 PolarHBondContact O-N 3.48Å; S424-S428 PolarHBondContact O-OG 3.37Å; R425-S428 WeakPolarHBondContact O-CB 3.43Å; R425-S428 PolarHBondContact O-N 3.35Å; L426-S428 VanDerWaalsContact C-N 3.31Å; L426-S428 PolarHBondContact O-N 3.39Å; S428-S431 PolarHBondContact O-N 3.05Å; S428-L432 PolarHBondContact O-N 2.89Å
429	T	96.2	Very high	94	Very high	14 Å²	14	70.2 Å²	70.2	9%	0.086	39%	0.392	C	S	.	.	H	α-helix	trans	-64.9	-45.5	176.7	-53.7	0	0	0	0	111.9	R425 L426 S431 L432 I433 T462 L466	R425-T429 PolarHBondContact O-N 3.09Å; R425-T429 PolarHBondContact O-OG1 3.08Å; R425-T429 VanDerWaalsContact O-OG1 3.11Å; L426-T429 PolarHBondContact O-N 3.05Å; T429-S431 VanDerWaalsContact C-N 3.29Å; T429-S431 PolarHBondContact O-N 3.43Å; T429-L432 PolarHBondContact O-N 3.01Å; T429-L432 VanDerWaalsContact O-N 3.12Å; T429-I433 HydrophobicContact CG2-CD1 4.05Å; T429-I433 WeakPolarHBondContact O-CG1 3.46Å; T429-I433 PolarHBondContact O-N 2.89Å; T429-T462 HydrophobicContact CG2-CG2 3.84Å; T429-T462 WeakPolarHBondContact OG1-CG2 3.49Å; T429-L466 HydrophobicContact CG2-CD2 3.95Å
430	T	96.2	Very high	94.3	Very high	56 Å²	56	71.8 Å²	71.8	34%	0.344	40%	0.396	S	S	.	.	H	α-helix	trans	-57.5	-42.2	174.9	-66	0	0	0	0	111.6	L426 L432 I433 Y434	L426-T430 WeakPolarHBondContact O-CB 3.4Å; L426-T430 PolarHBondContact O-N 3.45Å; L426-T430 PolarHBondContact O-OG1 3.36Å; L426-T430 VanDerWaalsContact O-OG1 3.09Å; T430-L432 VanDerWaalsContact C-N 3.35Å; T430-L432 PolarHBondContact O-N 3.07Å; T430-I433 PolarHBondContact O-N 3.43Å; T430-Y434 HydrophobicContact CG2-CD2 3.82Å; T430-Y434 HydrophobicContact CG2-CE2 3.58Å; T430-Y434 VanDerWaalsContact O-CD2 3.26Å; T430-Y434 WeakPolarHBondContact O-CD2 3.48Å; T430-Y434 PolarHBondContact O-N 3.34Å
431	S	96.2	Very high	94.4	Very high	70 Å²	70	72.2 Å²	72.2	49%	0.49	39%	0.392	S	S	.	.	H	α-helix	trans	-63.3	-39.1	176.3	-57.9	0	0	0	0	112.3	S427 S428 T429 F435	S427-S431 WeakPolarHBondContact O-CB 3.12Å; S427-S431 PolarHBondContact O-N 3.17Å; S427-S431 PolarHBondContact O-OG 3.43Å; S428-S431 PolarHBondContact O-N 3.05Å; T429-S431 VanDerWaalsContact C-N 3.29Å; T429-S431 PolarHBondContact O-N 3.43Å; S431-F435 PolarHBondContact O-N 3.41Å
432	L	96.5	Very high	94.6	Very high	11 Å²	11	72.6 Å²	72.6	6%	0.058	39%	0.394	C	S	.	.	H	α-helix	trans	-68.4	-36.4	174.5	-175.8	62.7	0	0	0	112.4	S428 T429 T430 F435 G436 I455 R458 L459 T462	S428-L432 PolarHBondContact O-N 2.89Å; T429-L432 PolarHBondContact O-N 3.01Å; T429-L432 VanDerWaalsContact O-N 3.12Å; T430-L432 VanDerWaalsContact C-N 3.35Å; T430-L432 PolarHBondContact O-N 3.07Å; L432-F435 HydrophobicContact CD1-CD1 4.41Å; L432-F435 PolarHBondContact O-N 3.24Å; L432-G436 PolarHBondContact O-N 2.72Å; L432-I455 HydrophobicContact CD1-CD1 3.79Å; L432-R458 HydrophobicContact CD2-CB 4.36Å; L432-L459 HydrophobicContact CD2-CD2 4.04Å; L432-L459 HydrophobicContact CG-CD2 3.95Å; L432-T462 HydrophobicContact CD2-CG2 4.03Å; L432-T462 WeakPolarHBondContact CD2-OG1 3.22Å
433	I	96.2	Very high	94.8	Very high	90 Å²	90	82.7 Å²	82.7	46%	0.462	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-49.1	175.2	-70.1	165.6	0	0	0	110.2	T429 T430 F435 G436 V437	T429-I433 HydrophobicContact CG2-CD1 4.05Å; T429-I433 WeakPolarHBondContact O-CG1 3.46Å; T429-I433 PolarHBondContact O-N 2.89Å; T430-I433 PolarHBondContact O-N 3.43Å; I433-F435 VanDerWaalsContact C-N 3.35Å; I433-F435 PolarHBondContact O-N 3.24Å; I433-G436 PolarHBondContact O-N 2.78Å; I433-V437 HydrophobicContact CG2-CG2 4.46Å; I433-V437 WeakPolarHBondContact O-CG2 3.18Å; I433-V437 PolarHBondContact O-N 3.2Å
434	Y	96.6	Very high	94.9	Very high	160 Å²	160	85.9 Å²	85.9	63%	0.627	43%	0.431	S	S	*	.	H	α-helix	trans	-58.9	-45.2	175.5	-79.9	-65.6	0	0	0	112	T430 G436 V437 E438	T430-Y434 HydrophobicContact CG2-CD2 3.82Å; T430-Y434 HydrophobicContact CG2-CE2 3.58Å; T430-Y434 VanDerWaalsContact O-CD2 3.26Å; T430-Y434 WeakPolarHBondContact O-CD2 3.48Å; T430-Y434 PolarHBondContact O-N 3.34Å; Y434-G436 VanDerWaalsContact C-N 3.34Å; Y434-G436 PolarHBondContact O-N 2.83Å; Y434-V437 PolarHBondContact O-N 3.33Å; Y434-E438 PolarHBondContact O-N 2.79Å
435	F	96.1	Very high	94.8	Very high	104 Å²	104	86.9 Å²	86.9	46%	0.456	44%	0.438	S	S	.	.	H	α-helix	trans	-58.8	-43.7	175.1	177.6	-99.3	0	0	0	112.4	S431 L432 I433 E438 L439 I455	S431-F435 PolarHBondContact O-N 3.41Å; L432-F435 HydrophobicContact CD1-CD1 4.41Å; L432-F435 PolarHBondContact O-N 3.24Å; I433-F435 VanDerWaalsContact C-N 3.35Å; I433-F435 PolarHBondContact O-N 3.24Å; F435-E438 PolarHBondContact O-N 3.01Å; F435-L439 HydrophobicContact CE1-CD1 4.44Å; F435-L439 HydrophobicContact CE1-CD2 4.24Å; F435-L439 HydrophobicContact CZ-CD1 4.11Å; F435-L439 WeakPolarHBondContact O-CB 3.4Å; F435-L439 PolarHBondContact O-N 2.93Å; F435-I455 HydrophobicContact CD1-CD1 3.92Å; F435-I455 HydrophobicContact CE1-CD1 3.96Å
436	G	93.6	Very high	94.8	Very high	8 Å²	8	87.1 Å²	87.1	8%	0.082	45%	0.45	C	S	.	.	H	α-helix	trans	-63.6	-40	176.7	0	0	0	0	0	113.3	L432 I433 Y434 L439 I440	L432-G436 PolarHBondContact O-N 2.72Å; I433-G436 PolarHBondContact O-N 2.78Å; Y434-G436 VanDerWaalsContact C-N 3.34Å; Y434-G436 PolarHBondContact O-N 2.83Å; G436-L439 PolarHBondContact O-N 2.88Å; G436-I440 WeakPolarHBondContact O-CD1 3.48Å; G436-I440 VanDerWaalsContact O-CG1 3.28Å; G436-I440 WeakPolarHBondContact O-CG1 3.43Å; G436-I440 PolarHBondContact O-N 3.03Å; G436-I440 VanDerWaalsContact O-N 3.12Å
437	V	94.5	Very high	94.7	Very high	75 Å²	75	84 Å²	84	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-37.8	176.9	168.5	0	0	0	0	112	I433 Y434	I433-V437 HydrophobicContact CG2-CG2 4.46Å; I433-V437 WeakPolarHBondContact O-CG2 3.18Å; I433-V437 PolarHBondContact O-N 3.2Å; Y434-V437 PolarHBondContact O-N 3.33Å
438	E	93.8	Very high	94.7	Very high	107 Å²	107	83.8 Å²	83.8	50%	0.5	43%	0.428	S	S	.	.	H	α-helix	trans	-71.7	-40.1	172.7	-63.4	-51.4	128.6	0	0	112.2	Y434 F435 I440 K441	Y434-E438 PolarHBondContact O-N 2.79Å; F435-E438 PolarHBondContact O-N 3.01Å; E438-I440 VanDerWaalsContact C-N 3.27Å; E438-I440 PolarHBondContact O-N 2.92Å; E438-K441 VanDerWaalsContact O-CB 3.3Å; E438-K441 WeakPolarHBondContact O-CB 3.45Å; E438-K441 PolarHBondContact O-N 3.47Å; E438-K441 IonicContact OE1-NZ 3.76Å; E438-K441 PolarHBondContact OE1-NZ 2.84Å; E438-K441 WeakPolarHBondContact OE2-CE 3.19Å; E438-K441 IonicContact OE2-NZ 3.72Å; E438-K441 PolarHBondContact OE2-NZ 2.89Å
439	L	94	Very high	94.6	Very high	39 Å²	39	85.8 Å²	85.8	20%	0.204	43%	0.432	C	S	.	.	H	α-helix	trans	-62.1	-32.1	-179.9	-165.6	77.5	0	0	0	113.1	F435 G436 K441 E442 V451 I455	F435-L439 HydrophobicContact CE1-CD1 4.44Å; F435-L439 HydrophobicContact CE1-CD2 4.24Å; F435-L439 HydrophobicContact CZ-CD1 4.11Å; F435-L439 WeakPolarHBondContact O-CB 3.4Å; F435-L439 PolarHBondContact O-N 2.93Å; G436-L439 PolarHBondContact O-N 2.88Å; L439-K441 PolarHBondContact O-N 2.88Å; L439-E442 WeakPolarHBondContact O-CB 3.29Å; L439-E442 PolarHBondContact O-N 2.96Å; L439-V451 HydrophobicContact CD1-CG2 4.27Å; L439-V451 HydrophobicContact CD2-CG2 4.02Å; L439-V451 HydrophobicContact CG-CG2 4.35Å; L439-I455 HydrophobicContact CD2-CB 3.9Å; L439-I455 HydrophobicContact CD2-CG1 3.88Å; L439-I455 HydrophobicContact CD2-CG2 3.78Å
440	I	93.9	Very high	94.5	Very high	122 Å²	122	92.8 Å²	92.8	63%	0.626	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.9	175.6	-71	163.7	0	0	0	112.3	G436 E438 E442 F448	G436-I440 WeakPolarHBondContact O-CD1 3.48Å; G436-I440 VanDerWaalsContact O-CG1 3.28Å; G436-I440 WeakPolarHBondContact O-CG1 3.43Å; G436-I440 PolarHBondContact O-N 3.03Å; G436-I440 VanDerWaalsContact O-N 3.12Å; E438-I440 VanDerWaalsContact C-N 3.27Å; E438-I440 PolarHBondContact O-N 2.92Å; I440-E442 VanDerWaalsContact C-N 3.31Å; I440-F448 HydrophobicContact CG1-CE2 4.29Å
441	K	94.4	Very high	94.4	Very high	123 Å²	123	92.9 Å²	92.9	54%	0.535	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.3	175.9	-50.9	177.4	-166.4	170.1	0	113.6	E438 L439 R443	E438-K441 VanDerWaalsContact O-CB 3.3Å; E438-K441 WeakPolarHBondContact O-CB 3.45Å; E438-K441 PolarHBondContact O-N 3.47Å; E438-K441 IonicContact OE1-NZ 3.76Å; E438-K441 PolarHBondContact OE1-NZ 2.84Å; E438-K441 WeakPolarHBondContact OE2-CE 3.19Å; E438-K441 IonicContact OE2-NZ 3.72Å; E438-K441 PolarHBondContact OE2-NZ 2.89Å; L439-K441 PolarHBondContact O-N 2.88Å; K441-R443 PolarHBondContact O-N 3.15Å
442	E	94.4	Very high	94.3	Very high	100 Å²	100	90.9 Å²	90.9	47%	0.467	45%	0.452	S	S	.	.			trans	-57.6	135.5	173.8	-177.7	48.5	-105.8	0	0	110.5	L439 I440 E444 A447 F448	L439-E442 WeakPolarHBondContact O-CB 3.29Å; L439-E442 PolarHBondContact O-N 2.96Å; I440-E442 VanDerWaalsContact C-N 3.31Å; E442-E444 PolarHBondContact OE1-N 3.06Å; E442-A447 HydrophobicContact CG-CB 4.37Å; E442-F448 HydrophobicContact CB-CB 4.26Å; E442-F448 HydrophobicContact CB-CD2 4.4Å; E442-F448 HydrophobicContact CG-CB 4.16Å
443	R	92.9	Very high	94.3	Very high	238 Å²	238	94.6 Å²	94.6	90%	0.898	48%	0.477	S	S	*	.	S	Bend	trans	-89.9	-31.5	-174.8	-57.2	-176.5	-173.2	-173.2	3.2	112.1	K441	K441-R443 PolarHBondContact O-N 3.15Å
444	E	94.8	Very high	94.2	Very high	106 Å²	106	94 Å²	94	50%	0.495	48%	0.481	S	S	.	.			trans	-89.2	113.1	-178.7	-160.1	-155.5	113	0	0	111.2	E442 S446 A447 F448	E442-E444 PolarHBondContact OE1-N 3.06Å; E444-S446 VanDerWaalsContact C-N 3.28Å; E444-S446 PolarHBondContact O-N 3.21Å; E444-S446 VanDerWaalsContact OE1-CB 3.23Å; E444-S446 WeakPolarHBondContact OE1-CB 3.22Å; E444-S446 PolarHBondContact OE1-OG 3.4Å; E444-A447 HydrophobicContact CB-CB 4.05Å; E444-A447 PolarHBondContact O-N 2.98Å; E444-A447 PolarHBondContact OE1-N 2.7Å; E444-F448 PolarHBondContact O-N 3.17Å
445	S	92.3	Very high	94.1	Very high	88 Å²	88	87.3 Å²	87.3	62%	0.615	46%	0.456	S	S	*	.	H	α-helix	trans	-60.8	-34.8	-176.1	-49	0	0	0	0	113.2	I449	S445-I449 VanDerWaalsContact O-CB 3.29Å; S445-I449 WeakPolarHBondContact O-CB 3.28Å; S445-I449 WeakPolarHBondContact O-CD1 3.4Å; S445-I449 WeakPolarHBondContact O-CG1 3.42Å; S445-I449 PolarHBondContact O-N 3.36Å
446	S	93.5	Very high	94	Very high	76 Å²	76	88.8 Å²	88.8	53%	0.531	46%	0.462	S	S	.	.	H	α-helix	trans	-66.3	-49.7	176.5	15.2	0	0	0	0	112	E444 F448 I449 Q450	E444-S446 VanDerWaalsContact C-N 3.28Å; E444-S446 PolarHBondContact O-N 3.21Å; E444-S446 VanDerWaalsContact OE1-CB 3.23Å; E444-S446 WeakPolarHBondContact OE1-CB 3.22Å; E444-S446 PolarHBondContact OE1-OG 3.4Å; S446-F448 PolarHBondContact O-N 3.32Å; S446-I449 PolarHBondContact O-N 2.87Å; S446-Q450 PolarHBondContact O-N 3.26Å
447	A	92.4	Very high	94.1	Very high	31 Å²	31	94.5 Å²	94.5	26%	0.256	49%	0.486	S	S	.	.	H	α-helix	trans	-57.4	-44.9	174.4	0	0	0	0	0	112.4	E442 E444 Q450 V451	E442-A447 HydrophobicContact CG-CB 4.37Å; E444-A447 HydrophobicContact CB-CB 4.05Å; E444-A447 PolarHBondContact O-N 2.98Å; E444-A447 PolarHBondContact OE1-N 2.7Å; A447-Q450 PolarHBondContact O-N 2.89Å; A447-V451 PolarHBondContact O-N 2.85Å
448	F	95.3	Very high	94.2	Very high	68 Å²	68	97.5 Å²	97.5	30%	0.298	49%	0.49	S	S	.	.	H	α-helix	trans	-62.4	-47.4	175.7	179.2	-99.8	0	0	0	112.3	I440 E442 E444 S446 Q450 V451 A452	I440-F448 HydrophobicContact CG1-CE2 4.29Å; E442-F448 HydrophobicContact CB-CB 4.26Å; E442-F448 HydrophobicContact CB-CD2 4.4Å; E442-F448 HydrophobicContact CG-CB 4.16Å; E444-F448 PolarHBondContact O-N 3.17Å; S446-F448 PolarHBondContact O-N 3.32Å; F448-Q450 VanDerWaalsContact C-N 3.25Å; F448-Q450 PolarHBondContact O-N 3.23Å; F448-V451 VanDerWaalsContact O-CG2 3.29Å; F448-V451 WeakPolarHBondContact O-CG2 3.26Å; F448-V451 PolarHBondContact O-N 2.98Å; F448-V451 VanDerWaalsContact O-N 3.14Å; F448-A452 HydrophobicContact CD1-CB 4.42Å; F448-A452 HydrophobicContact CE1-CB 4.08Å; F448-A452 HydrophobicContact CZ-CB 4.35Å; F448-A452 WeakPolarHBondContact O-CB 3.43Å; F448-A452 PolarHBondContact O-N 3.19Å
449	I	93.4	Very high	94.3	Very high	116 Å²	116	95.7 Å²	95.7	60%	0.595	48%	0.483	S	S	*	.	H	α-helix	trans	-61.8	-33.7	179.3	-73.2	166.1	0	0	0	111.6	S445 S446 V451 P453	S445-I449 VanDerWaalsContact O-CB 3.29Å; S445-I449 WeakPolarHBondContact O-CB 3.28Å; S445-I449 WeakPolarHBondContact O-CD1 3.4Å; S445-I449 WeakPolarHBondContact O-CG1 3.42Å; S445-I449 PolarHBondContact O-N 3.36Å; S446-I449 PolarHBondContact O-N 2.87Å; I449-V451 VanDerWaalsContact C-N 3.32Å; I449-V451 PolarHBondContact O-N 3.27Å; I449-P453 VanDerWaalsContact O-CD 3.28Å; I449-P453 WeakPolarHBondContact O-CD 3.39Å
450	Q	94.3	Very high	94.4	Very high	160 Å²	160	96.9 Å²	96.9	75%	0.748	49%	0.489	S	S	*	.	H	α-helix	trans	-63.6	-34.4	176.4	-173.9	176.9	-5.2	0	0	112.9	S446 A447 F448	S446-Q450 PolarHBondContact O-N 3.26Å; A447-Q450 PolarHBondContact O-N 2.89Å; F448-Q450 VanDerWaalsContact C-N 3.25Å; F448-Q450 PolarHBondContact O-N 3.23Å
451	V	93.8	Very high	94.5	Very high	59 Å²	59	93.6 Å²	93.6	36%	0.358	48%	0.477	S	S	.	.	H	α-helix	trans	-96.8	-20.3	-179.7	-61	0	0	0	0	114.1	L439 A447 F448 I449 S454 I455	L439-V451 HydrophobicContact CD1-CG2 4.27Å; L439-V451 HydrophobicContact CD2-CG2 4.02Å; L439-V451 HydrophobicContact CG-CG2 4.35Å; A447-V451 PolarHBondContact O-N 2.85Å; F448-V451 VanDerWaalsContact O-CG2 3.29Å; F448-V451 WeakPolarHBondContact O-CG2 3.26Å; F448-V451 PolarHBondContact O-N 2.98Å; F448-V451 VanDerWaalsContact O-N 3.14Å; I449-V451 VanDerWaalsContact C-N 3.32Å; I449-V451 PolarHBondContact O-N 3.27Å; V451-S454 PolarHBondContact O-N 2.93Å; V451-S454 VanDerWaalsContact O-N 3.11Å; V451-I455 PolarHBondContact O-N 2.77Å
452	A	94	Very high	94.5	Very high	28 Å²	28	89 Å²	89	23%	0.231	46%	0.459	C	S	.	.	H	α-helix	trans	-53.8	-42.6	-174.2	0	0	0	0	0	115	F448 S454 I455 K456	F448-A452 HydrophobicContact CD1-CB 4.42Å; F448-A452 HydrophobicContact CE1-CB 4.08Å; F448-A452 HydrophobicContact CZ-CB 4.35Å; F448-A452 WeakPolarHBondContact O-CB 3.43Å; F448-A452 PolarHBondContact O-N 3.19Å; A452-S454 PolarHBondContact O-N 2.84Å; A452-I455 WeakPolarHBondContact O-CG2 3.32Å; A452-K456 VanDerWaalsContact O-CB 3.24Å; A452-K456 WeakPolarHBondContact O-CB 3.45Å; A452-K456 PolarHBondContact O-N 2.68Å
453	P	95.1	Very high	94.6	Very high	88 Å²	88	89.6 Å²	89.6	57%	0.571	46%	0.462	S	S	*	.	H	α-helix	trans	-63.3	-42	176.6	-22.6	34.2	0	0	0	112.5	I449 K456 Q457	I449-P453 VanDerWaalsContact O-CD 3.28Å; I449-P453 WeakPolarHBondContact O-CD 3.39Å; P453-K456 PolarHBondContact O-N 2.87Å; P453-Q457 PolarHBondContact O-N 2.93Å
454	S	94.4	Very high	94.7	Very high	79 Å²	79	82.4 Å²	82.4	55%	0.552	44%	0.441	S	S	*	.	H	α-helix	trans	-69.4	-42.3	-176.8	-56.6	0	0	0	0	112.3	V451 A452 Q457 R458	V451-S454 PolarHBondContact O-N 2.93Å; V451-S454 VanDerWaalsContact O-N 3.11Å; A452-S454 PolarHBondContact O-N 2.84Å; S454-Q457 PolarHBondContact O-N 2.86Å; S454-R458 WeakPolarHBondContact O-CG 3.46Å; S454-R458 PolarHBondContact O-N 2.98Å; S454-R458 VanDerWaalsContact O-N 3.1Å
455	I	94.1	Very high	94.7	Very high	19 Å²	19	80.1 Å²	80.1	10%	0.097	43%	0.43	C	S	.	.	H	α-helix	trans	-70.4	-37.6	175.6	-170.6	57.3	0	0	0	111.7	L432 F435 L439 V451 A452 Q457 R458 L459	L432-I455 HydrophobicContact CD1-CD1 3.79Å; F435-I455 HydrophobicContact CD1-CD1 3.92Å; F435-I455 HydrophobicContact CE1-CD1 3.96Å; L439-I455 HydrophobicContact CD2-CB 3.9Å; L439-I455 HydrophobicContact CD2-CG1 3.88Å; L439-I455 HydrophobicContact CD2-CG2 3.78Å; V451-I455 PolarHBondContact O-N 2.77Å; A452-I455 WeakPolarHBondContact O-CG2 3.32Å; I455-Q457 VanDerWaalsContact C-N 3.34Å; I455-Q457 PolarHBondContact O-N 3.38Å; I455-R458 HydrophobicContact CD1-CB 4.49Å; I455-R458 PolarHBondContact O-N 2.94Å; I455-L459 HydrophobicContact CD1-CG 4.46Å; I455-L459 HydrophobicContact CG1-CD1 4.16Å; I455-L459 HydrophobicContact CG1-CG 4.44Å; I455-L459 WeakPolarHBondContact O-CG 3.33Å; I455-L459 PolarHBondContact O-N 3.26Å
456	K	94.9	Very high	94.8	Very high	135 Å²	135	77.8 Å²	77.8	59%	0.587	41%	0.411	S	S	*	.	H	α-helix	trans	-58.2	-46.2	173.5	179.4	179.3	176.7	-178.3	0	111.2	A452 P453 L459 I460	A452-K456 VanDerWaalsContact O-CB 3.24Å; A452-K456 WeakPolarHBondContact O-CB 3.45Å; A452-K456 PolarHBondContact O-N 2.68Å; P453-K456 PolarHBondContact O-N 2.87Å; K456-L459 PolarHBondContact O-N 3.45Å; K456-I460 HydrophobicContact CG-CD1 3.86Å; K456-I460 WeakPolarHBondContact O-CG1 3.46Å; K456-I460 PolarHBondContact O-N 3Å
457	Q	96.2	Very high	94.8	Very high	127 Å²	127	78.1 Å²	78.1	59%	0.593	41%	0.406	S	S	*	.	H	α-helix	trans	-65.4	-38.8	178.7	-169.3	60.9	30	0	0	112.3	P453 S454 I455 S461	P453-Q457 PolarHBondContact O-N 2.93Å; S454-Q457 PolarHBondContact O-N 2.86Å; I455-Q457 VanDerWaalsContact C-N 3.34Å; I455-Q457 PolarHBondContact O-N 3.38Å; Q457-S461 PolarHBondContact O-N 2.76Å
458	R	96.4	Very high	94.8	Very high	139 Å²	139	83.6 Å²	83.6	53%	0.525	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-46.9	173.8	-75.2	-179.5	67.6	-167.9	1	112.1	L432 S454 I455 I460 S461 T462	L432-R458 HydrophobicContact CD2-CB 4.36Å; S454-R458 WeakPolarHBondContact O-CG 3.46Å; S454-R458 PolarHBondContact O-N 2.98Å; S454-R458 VanDerWaalsContact O-N 3.1Å; I455-R458 HydrophobicContact CD1-CB 4.49Å; I455-R458 PolarHBondContact O-N 2.94Å; R458-I460 PolarHBondContact O-N 2.87Å; R458-S461 PolarHBondContact O-N 2.86Å; R458-T462 WeakPolarHBondContact O-CB 3.5Å; R458-T462 PolarHBondContact O-N 2.92Å; R458-T462 PolarHBondContact O-OG1 3.41Å; R458-T462 VanDerWaalsContact O-OG1 3.08Å
459	L	95.7	Very high	94.6	Very high	68 Å²	68	81.2 Å²	81.2	36%	0.356	42%	0.416	S	S	.	.	H	α-helix	trans	-58.9	-47.3	178.3	-73.7	166.2	0	0	0	111.3	L432 I455 K456 S461 T462 E463	L432-L459 HydrophobicContact CD2-CD2 4.04Å; L432-L459 HydrophobicContact CG-CD2 3.95Å; I455-L459 HydrophobicContact CD1-CG 4.46Å; I455-L459 HydrophobicContact CG1-CD1 4.16Å; I455-L459 HydrophobicContact CG1-CG 4.44Å; I455-L459 WeakPolarHBondContact O-CG 3.33Å; I455-L459 PolarHBondContact O-N 3.26Å; K456-L459 PolarHBondContact O-N 3.45Å; L459-S461 PolarHBondContact O-N 2.84Å; L459-T462 PolarHBondContact O-N 3.4Å; L459-E463 VanDerWaalsContact O-CB 3.29Å; L459-E463 WeakPolarHBondContact O-CB 3.5Å; L459-E463 PolarHBondContact O-N 3.19Å
460	I	96	Very high	94.3	Very high	64 Å²	64	79.1 Å²	79.1	33%	0.328	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-39.9	177.9	-66.1	167.8	0	0	0	111.5	K456 R458 N464	K456-I460 HydrophobicContact CG-CD1 3.86Å; K456-I460 WeakPolarHBondContact O-CG1 3.46Å; K456-I460 PolarHBondContact O-N 3Å; R458-I460 PolarHBondContact O-N 2.87Å; I460-N464 PolarHBondContact O-N 3.07Å; I460-N464 VanDerWaalsContact O-N 3.14Å; I460-N464 PolarHBondContact O-ND2 3.23Å
461	S	95.8	Very high	94.1	Very high	53 Å²	53	76.3 Å²	76.3	37%	0.371	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-53.3	174.6	-166.6	0	0	0	0	110.9	Q457 R458 L459 E463 N464 E465	Q457-S461 PolarHBondContact O-N 2.76Å; R458-S461 PolarHBondContact O-N 2.86Å; L459-S461 PolarHBondContact O-N 2.84Å; S461-E463 VanDerWaalsContact C-N 3.29Å; S461-E463 PolarHBondContact O-N 3.28Å; S461-N464 PolarHBondContact O-N 3.11Å; S461-N464 VanDerWaalsContact O-N 3.13Å; S461-E465 WeakPolarHBondContact CB-OE1 3.23Å; S461-E465 VanDerWaalsContact O-CG 3.3Å; S461-E465 WeakPolarHBondContact O-CG 3.12Å; S461-E465 PolarHBondContact O-N 2.7Å; S461-E465 PolarHBondContact OG-OE1 2.93Å
462	T	95.4	Very high	93.7	Very high	26 Å²	26	77.7 Å²	77.7	16%	0.16	40%	0.397	C	S	.	.	H	α-helix	trans	-67.2	-28.2	-176.4	-56.6	0	0	0	0	113	T429 L432 R458 L459 L466	T429-T462 HydrophobicContact CG2-CG2 3.84Å; T429-T462 WeakPolarHBondContact OG1-CG2 3.49Å; L432-T462 HydrophobicContact CD2-CG2 4.03Å; L432-T462 WeakPolarHBondContact CD2-OG1 3.22Å; R458-T462 WeakPolarHBondContact O-CB 3.5Å; R458-T462 PolarHBondContact O-N 2.92Å; R458-T462 PolarHBondContact O-OG1 3.41Å; R458-T462 VanDerWaalsContact O-OG1 3.08Å; L459-T462 PolarHBondContact O-N 3.4Å; T462-L466 VanDerWaalsContact O-CB 3.31Å; T462-L466 WeakPolarHBondContact O-CB 3.46Å; T462-L466 PolarHBondContact O-N 3.4Å
463	E	95.6	Very high	93.3	Very high	114 Å²	114	77.8 Å²	77.8	53%	0.533	40%	0.395	S	S	.	.	H	α-helix	trans	-63.8	-52.3	168.7	177.5	174.7	-146.6	0	0	111.4	L459 S461 E465 L466 I467	L459-E463 VanDerWaalsContact O-CB 3.29Å; L459-E463 WeakPolarHBondContact O-CB 3.5Å; L459-E463 PolarHBondContact O-N 3.19Å; S461-E463 VanDerWaalsContact C-N 3.29Å; S461-E463 PolarHBondContact O-N 3.28Å; E463-E465 VanDerWaalsContact C-N 3.34Å; E463-E465 PolarHBondContact O-N 3.01Å; E463-L466 PolarHBondContact O-N 3.48Å; E463-I467 HydrophobicContact CG-CD1 3.91Å; E463-I467 VanDerWaalsContact O-CG1 3.3Å; E463-I467 WeakPolarHBondContact O-CG1 3.46Å; E463-I467 PolarHBondContact O-N 2.88Å
464	N	95.5	Very high	92.7	Very high	87 Å²	87	83.3 Å²	83.3	47%	0.465	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-41.3	177.4	-76.8	-76.2	0	0	0	112.1	I460 S461 I467 Q468	I460-N464 PolarHBondContact O-N 3.07Å; I460-N464 VanDerWaalsContact O-N 3.14Å; I460-N464 PolarHBondContact O-ND2 3.23Å; S461-N464 PolarHBondContact O-N 3.11Å; S461-N464 VanDerWaalsContact O-N 3.13Å; N464-I467 PolarHBondContact O-N 2.93Å; N464-Q468 WeakPolarHBondContact O-CG 3.18Å; N464-Q468 PolarHBondContact O-N 3.04Å
465	E	94.3	Very high	92.1	Very high	57 Å²	57	85.7 Å²	85.7	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-62.7	-41.6	175.6	-69.4	166.4	-111.8	0	0	111.9	R425 S461 E463 E469	R425-E465 IonicContact CZ-OE2 2.72Å; R425-E465 IonicContact NH1-OE2 2.71Å; R425-E465 PolarHBondContact NH1-OE2 2.88Å; S461-E465 WeakPolarHBondContact CB-OE1 3.23Å; S461-E465 VanDerWaalsContact O-CG 3.3Å; S461-E465 WeakPolarHBondContact O-CG 3.12Å; S461-E465 PolarHBondContact O-N 2.7Å; S461-E465 PolarHBondContact OG-OE1 2.93Å; E463-E465 VanDerWaalsContact C-N 3.34Å; E463-E465 PolarHBondContact O-N 3.01Å; E465-E469 WeakPolarHBondContact O-CB 3.19Å; E465-E469 PolarHBondContact O-N 2.88Å
466	L	93.9	Very high	91.2	Very high	39 Å²	39	87.6 Å²	87.6	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-69.7	-37	176.3	-178.4	65.7	0	0	0	112.2	R425 L426 T429 T462 E463 E469 T470	R425-L466 HydrophobicContact CG-CD1 3.93Å; L426-L466 HydrophobicContact CD1-CD1 4.45Å; T429-L466 HydrophobicContact CG2-CD2 3.95Å; T462-L466 VanDerWaalsContact O-CB 3.31Å; T462-L466 WeakPolarHBondContact O-CB 3.46Å; T462-L466 PolarHBondContact O-N 3.4Å; E463-L466 PolarHBondContact O-N 3.48Å; L466-E469 PolarHBondContact O-N 2.98Å; L466-T470 HydrophobicContact CD1-CG2 3.92Å; L466-T470 HydrophobicContact CG-CG2 4.31Å; L466-T470 WeakPolarHBondContact O-CB 3.39Å; L466-T470 WeakPolarHBondContact O-CG2 3.42Å; L466-T470 PolarHBondContact O-N 2.83Å; L466-T470 PolarHBondContact O-OG1 3.21Å
467	I	94.2	Very high	89.8	Confident	84 Å²	84	86.1 Å²	86.1	43%	0.431	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-46.7	174.7	-70.2	166.5	0	0	0	110.1	E463 N464 T470 Q471	E463-I467 HydrophobicContact CG-CD1 3.91Å; E463-I467 VanDerWaalsContact O-CG1 3.3Å; E463-I467 WeakPolarHBondContact O-CG1 3.46Å; E463-I467 PolarHBondContact O-N 2.88Å; N464-I467 PolarHBondContact O-N 2.93Å; I467-T470 PolarHBondContact O-N 3.01Å; I467-T470 PolarHBondContact O-OG1 2.85Å; I467-Q471 VanDerWaalsContact O-CB 3.24Å; I467-Q471 WeakPolarHBondContact O-CB 3.36Å; I467-Q471 PolarHBondContact O-N 3.35Å
468	Q	92.6	Very high	88.1	Confident	145 Å²	145	84.8 Å²	84.8	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-60.6	-47.7	175.4	-75.5	-176.3	-9.1	0	0	112.2	N464 T470 Q471 F472	N464-Q468 WeakPolarHBondContact O-CG 3.18Å; N464-Q468 PolarHBondContact O-N 3.04Å; Q468-T470 PolarHBondContact O-N 2.91Å; Q468-Q471 PolarHBondContact O-N 2.84Å; Q468-F472 VanDerWaalsContact O-CB 3.24Å; Q468-F472 WeakPolarHBondContact O-CB 3.5Å; Q468-F472 PolarHBondContact O-N 2.62Å
469	E	90.6	Very high	86.2	Confident	19 Å²	19	81.6 Å²	81.6	9%	0.089	43%	0.43	C	S	.	.	H	α-helix	trans	-61	-47	179.6	-158.7	91	-116	0	0	111.5	Q421 R425 E465 L466 F472 C473	Q421-E469 WeakPolarHBondContact CG-OE1 3.3Å; Q421-E469 PolarHBondContact NE2-OE1 2.96Å; R425-E469 HydrophobicContact CB-CG 4Å; R425-E469 HydrophobicContact CG-CB 4Å; R425-E469 HydrophobicContact CG-CG 3.94Å; R425-E469 IonicContact CZ-OE2 2.93Å; R425-E469 IonicContact NE-OE2 3.16Å; R425-E469 PolarHBondContact NE-OE2 2.96Å; R425-E469 IonicContact NH2-OE2 2.69Å; R425-E469 PolarHBondContact NH2-OE2 3.3Å; E465-E469 WeakPolarHBondContact O-CB 3.19Å; E465-E469 PolarHBondContact O-N 2.88Å; L466-E469 PolarHBondContact O-N 2.98Å; E469-F472 PolarHBondContact O-N 3.16Å; E469-C473 PolarHBondContact O-N 3.17Å; E469-C473 PolarHBondContact O-SG 2.84Å
470	T	88.2	Confident	84.2	Confident	71 Å²	71	85.8 Å²	85.8	44%	0.436	45%	0.453	S	S	.	.	H	α-helix	trans	-72.8	-30.3	-178.4	54.7	0	0	0	0	113.4	L466 I467 Q468 R474	L466-T470 HydrophobicContact CD1-CG2 3.92Å; L466-T470 HydrophobicContact CG-CG2 4.31Å; L466-T470 WeakPolarHBondContact O-CB 3.39Å; L466-T470 WeakPolarHBondContact O-CG2 3.42Å; L466-T470 PolarHBondContact O-N 2.83Å; L466-T470 PolarHBondContact O-OG1 3.21Å; I467-T470 PolarHBondContact O-N 3.01Å; I467-T470 PolarHBondContact O-OG1 2.85Å; Q468-T470 PolarHBondContact O-N 2.91Å; T470-R474 WeakPolarHBondContact O-CB 3.29Å; T470-R474 PolarHBondContact O-N 2.94Å; T470-R474 VanDerWaalsContact O-N 3.15Å
471	Q	88.9	Confident	82.4	Confident	102 Å²	102	87.2 Å²	87.2	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-71.9	-44	171.2	-177.6	165.4	-15.1	0	0	111.1	I467 Q468 C473 R474 E475	I467-Q471 VanDerWaalsContact O-CB 3.24Å; I467-Q471 WeakPolarHBondContact O-CB 3.36Å; I467-Q471 PolarHBondContact O-N 3.35Å; Q468-Q471 PolarHBondContact O-N 2.84Å; Q471-C473 VanDerWaalsContact C-N 3.35Å; Q471-C473 PolarHBondContact O-N 3.24Å; Q471-R474 WeakPolarHBondContact O-CB 3.33Å; Q471-R474 PolarHBondContact O-N 2.89Å; Q471-E475 HydrophobicContact CG-CG 4.36Å; Q471-E475 VanDerWaalsContact CG-OE1 3.25Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.34Å; Q471-E475 PolarHBondContact NE2-OE1 3Å; Q471-E475 WeakPolarHBondContact O-CG 3.34Å; Q471-E475 PolarHBondContact O-N 2.69Å
472	F	86.8	Confident	80.4	Confident	88 Å²	88	93.4 Å²	93.4	39%	0.386	48%	0.48	S	S	.	.	H	α-helix	trans	-57.7	-45.6	175.2	-177.1	-91.8	0	0	0	111.7	Q468 E469 R474 E475 N476	Q468-F472 VanDerWaalsContact O-CB 3.24Å; Q468-F472 WeakPolarHBondContact O-CB 3.5Å; Q468-F472 PolarHBondContact O-N 2.62Å; E469-F472 PolarHBondContact O-N 3.16Å; F472-R474 VanDerWaalsContact C-N 3.32Å; F472-R474 PolarHBondContact O-N 3.47Å; F472-E475 PolarHBondContact O-N 2.89Å; F472-N476 WeakPolarHBondContact CD2-ND2 3.43Å; F472-N476 VanDerWaalsContact CE2-ND2 3.35Å; F472-N476 WeakPolarHBondContact CE2-ND2 3.37Å; F472-N476 WeakPolarHBondContact CZ-ND2 3.39Å; F472-N476 WeakPolarHBondContact O-CB 3.2Å; F472-N476 PolarHBondContact O-N 3.28Å; F472-N476 PolarHBondContact O-ND2 3.41Å
473	C	85.8	Confident	78.6	Confident	29 Å²	29	95.8 Å²	95.8	20%	0.196	49%	0.491	C	S	.	.	H	α-helix	trans	-62.3	-37.8	173.9	-65.7	0	0	0	0	112.5	E469 Q471 C477	E469-C473 PolarHBondContact O-N 3.17Å; E469-C473 PolarHBondContact O-SG 2.84Å; Q471-C473 VanDerWaalsContact C-N 3.35Å; Q471-C473 PolarHBondContact O-N 3.24Å; C473-C477 PolarHBondContact O-N 2.95Å; C473-C477 VanDerWaalsContact O-N 3.11Å; C473-C477 PolarHBondContact O-SG 3.46Å
474	R	82.5	Confident	76.7	Confident	204 Å²	204	100.2 Å²	100.2	77%	0.77	50%	0.503	S	S	*	.	H	α-helix	trans	-68.9	-36.5	179	-170.6	-178.4	-64.7	-165.1	0.5	112.5	T470 Q471 F472	T470-R474 WeakPolarHBondContact O-CB 3.29Å; T470-R474 PolarHBondContact O-N 2.94Å; T470-R474 VanDerWaalsContact O-N 3.15Å; Q471-R474 WeakPolarHBondContact O-CB 3.33Å; Q471-R474 PolarHBondContact O-N 2.89Å; F472-R474 VanDerWaalsContact C-N 3.32Å; F472-R474 PolarHBondContact O-N 3.47Å
475	E	80.6	Confident	75	Confident	129 Å²	129	100.8 Å²	100.8	60%	0.603	51%	0.51	S	S	*	.	H	α-helix	trans	-77.2	-31	178	-70.6	172.5	-174.6	0	0	112.4	Q471 F472	Q471-E475 HydrophobicContact CG-CG 4.36Å; Q471-E475 VanDerWaalsContact CG-OE1 3.25Å; Q471-E475 WeakPolarHBondContact CG-OE1 3.34Å; Q471-E475 PolarHBondContact NE2-OE1 3Å; Q471-E475 WeakPolarHBondContact O-CG 3.34Å; Q471-E475 PolarHBondContact O-N 2.69Å; F472-E475 PolarHBondContact O-N 2.89Å
476	N	75.7	Confident	73	Confident	60 Å²	60	102.3 Å²	102.3	32%	0.321	53%	0.526	S	S	.	.	S	Bend	trans	-97.6	12.1	179.1	-65.7	-84.9	0	0	0	114.2	F472 L478	F472-N476 WeakPolarHBondContact CD2-ND2 3.43Å; F472-N476 VanDerWaalsContact CE2-ND2 3.35Å; F472-N476 WeakPolarHBondContact CE2-ND2 3.37Å; F472-N476 WeakPolarHBondContact CZ-ND2 3.39Å; F472-N476 WeakPolarHBondContact O-CB 3.2Å; F472-N476 PolarHBondContact O-N 3.28Å; F472-N476 PolarHBondContact O-ND2 3.41Å; N476-L478 VanDerWaalsContact C-N 3.3Å; N476-L478 PolarHBondContact O-N 3.4Å
477	C	64.7	Low	71.5	Confident	103 Å²	103	104.5 Å²	104.5	70%	0.696	54%	0.538	S	S	*	.			trans	-69.1	84.9	168.2	-94.1	0	0	0	0	110.4	C473 G479	C473-C477 PolarHBondContact O-N 2.95Å; C473-C477 VanDerWaalsContact O-N 3.11Å; C473-C477 PolarHBondContact O-SG 3.46Å; C477-G479 PolarHBondContact O-N 3.42Å; C477-G479 VanDerWaalsContact O-N 3.15Å
478	L	61.5	Low	70.1	Confident	99 Å²	99	104.4 Å²	104.4	52%	0.518	54%	0.542	S	S	.	.			trans	-56.2	113.9	-179.5	-68.9	170	0	0	0	112.2	R411 N476	R411-L478 HydrophobicContact CG-CD1 4.32Å; N476-L478 VanDerWaalsContact C-N 3.3Å; N476-L478 PolarHBondContact O-N 3.4Å
479	G	55.9	Low	69.1	Low	72 Å²	72	102.7 Å²	102.7	74%	0.742	54%	0.537	S	S	*	.			trans	-75.4	164.8	169.6	0	0	0	0	0	113.4	C477	C477-G479 PolarHBondContact O-N 3.42Å; C477-G479 VanDerWaalsContact O-N 3.15Å
480	D	54.1	Low	68.3	Low	157 Å²	157	104 Å²	104	84%	0.84	54%	0.544	S	S	*	.			trans	-18.6	142	-171.4	-73	-41.6	0	0	0	121	Q482	D480-Q482 PolarHBondContact O-N 2.93Å
481	F	57.8	Low	67.6	Low	93 Å²	93	104.8 Å²	104.8	41%	0.408	55%	0.546	S	S	.	.			trans	-67.5	109	171.5	-71	-103.4	0	0	0	111.7	E407 V408 R411 L483	E407-F481 HydrophobicContact CG-CE1 4.49Å; V408-F481 HydrophobicContact CB-CE1 4.31Å; V408-F481 HydrophobicContact CB-CZ 4.23Å; V408-F481 HydrophobicContact CG2-CD1 4.2Å; V408-F481 HydrophobicContact CG2-CE1 3.5Å; V408-F481 VanDerWaalsContact CG2-CE1 3.5Å; V408-F481 HydrophobicContact CG2-CE2 4.4Å; V408-F481 HydrophobicContact CG2-CZ 3.64Å; R411-F481 HydrophobicContact CB-CZ 4.25Å; R411-F481 HydrophobicContact CG-CZ 4.44Å; F481-L483 PolarHBondContact O-N 3.47Å
482	Q	54.7	Low	66.9	Low	183 Å²	183	104.6 Å²	104.6	86%	0.855	55%	0.547	S	S	*	.			trans	-85.3	45.2	166.4	-68.4	-165.4	-7.9	0	0	113	D480 R484	D480-Q482 PolarHBondContact O-N 2.93Å; Q482-R484 PolarHBondContact O-N 3.31Å
483	L	57.2	Low	66.4	Low	77 Å²	77	107 Å²	107	40%	0.403	56%	0.56	S	S	.	*			trans	-79.7	71.7	170.1	-145.9	170	0	0	0	109.5	L404 F481	L404-L483 HydrophobicContact CB-CD1 3.85Å; L404-L483 HydrophobicContact CD1-CB 4.4Å; L404-L483 HydrophobicContact CD1-CD1 3.67Å; L404-L483 HydrophobicContact CG-CD1 4.29Å; F481-L483 PolarHBondContact O-N 3.47Å
484	R	55.2	Low	66	Low	206 Å²	206	113.2 Å²	113.2	78%	0.777	58%	0.579	S	S	*	*			trans	-95.5	105.6	-170.1	-158.8	-174.6	-156.2	-175.5	6.3	109.4	Q482 S486	Q482-R484 PolarHBondContact O-N 3.31Å; R484-S486 VanDerWaalsContact CB-OG 3.31Å; R484-S486 WeakPolarHBondContact CB-OG 3.25Å; R484-S486 WeakPolarHBondContact CD-OG 3.41Å; R484-S486 VanDerWaalsContact CG-OG 3.24Å; R484-S486 WeakPolarHBondContact CG-OG 3.35Å; R484-S486 PolarHBondContact O-N 2.87Å; R484-S486 PolarHBondContact O-OG 3.12Å
485	V	59.3	Low	65.5	Low	100 Å²	100	107.1 Å²	107.1	61%	0.606	56%	0.561	S	S	*	*			trans	-69.1	76.8	172.4	-174.5	0	0	0	0	108.7	N487	V485-N487 VanDerWaalsContact C-N 3.27Å; V485-N487 PolarHBondContact O-N 3.34Å
486	S	53.5	Low	65.1	Low	88 Å²	88	108.7 Å²	108.7	62%	0.615	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	6.5	-156.3	-59.5	0	0	0	0	114.5	R484	R484-S486 VanDerWaalsContact CB-OG 3.31Å; R484-S486 WeakPolarHBondContact CB-OG 3.25Å; R484-S486 WeakPolarHBondContact CD-OG 3.41Å; R484-S486 VanDerWaalsContact CG-OG 3.24Å; R484-S486 WeakPolarHBondContact CG-OG 3.35Å; R484-S486 PolarHBondContact O-N 2.87Å; R484-S486 PolarHBondContact O-OG 3.12Å
487	N	61.9	Low	64.8	Low	86 Å²	86	108.2 Å²	108.2	46%	0.46	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-146	51	-172.7	-139.9	0.9	0	0	0	113.8	V485 N489 D490 L491	V485-N487 VanDerWaalsContact C-N 3.27Å; V485-N487 PolarHBondContact O-N 3.34Å; N487-N489 PolarHBondContact O-N 3.42Å; N487-D490 HydrophobicContact CB-CB 4.2Å; N487-D490 WeakPolarHBondContact ND2-CB 3.28Å; N487-D490 PolarHBondContact ND2-OD2 3.03Å; N487-D490 WeakPolarHBondContact OD1-CB 3.13Å; N487-D490 PolarHBondContact OD1-N 3.29Å; N487-L491 PolarHBondContact O-N 3.36Å
488	T	65.6	Low	65	Low	81 Å²	81	107 Å²	107	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-56.7	-29.7	166.3	45.7	0	0	0	0	112.4	L492	T488-L492 WeakPolarHBondContact O-CB 3.45Å; T488-L492 WeakPolarHBondContact O-CG 3.37Å; T488-L492 PolarHBondContact O-N 3.5Å
489	N	70.5	Confident	65	Low	110 Å²	110	108.6 Å²	108.6	59%	0.588	58%	0.577	S	S	*	*	H	α-helix	trans	-76.2	-45.8	-175.9	-64.9	23.6	0	0	0	112	N487 L491 L492 E493	N487-N489 PolarHBondContact O-N 3.42Å; N489-L491 VanDerWaalsContact C-N 3.25Å; N489-L491 PolarHBondContact O-N 3.3Å; N489-L492 CarbonylContact O-C 3.59Å; N489-L492 WeakPolarHBondContact O-CA 3.4Å; N489-L492 WeakPolarHBondContact O-CB 3.47Å; N489-L492 PolarHBondContact O-N 2.87Å; N489-L492 VanDerWaalsContact O-N 3.07Å; N489-E493 PolarHBondContact O-N 3.1Å
490	D	74.2	Confident	65.2	Low	45 Å²	45	110 Å²	110	24%	0.241	57%	0.567	C	S	.	*	H	α-helix	trans	-63.3	-31.5	170.7	178.2	28.8	0	0	0	111.6	N487 R494	N487-D490 HydrophobicContact CB-CB 4.2Å; N487-D490 WeakPolarHBondContact ND2-CB 3.28Å; N487-D490 PolarHBondContact ND2-OD2 3.03Å; N487-D490 WeakPolarHBondContact OD1-CB 3.13Å; N487-D490 PolarHBondContact OD1-N 3.29Å; D490-R494 VanDerWaalsContact CG-NE 3.33Å; D490-R494 VanDerWaalsContact CG-NH2 3.33Å; D490-R494 VanDerWaalsContact O-CB 3.25Å; D490-R494 WeakPolarHBondContact O-CB 3.49Å; D490-R494 WeakPolarHBondContact O-CD 3.3Å; D490-R494 WeakPolarHBondContact O-CG 3.48Å; D490-R494 PolarHBondContact O-N 3.49Å; D490-R494 IonicContact OD1-CZ 3.32Å; D490-R494 IonicContact OD1-NE 2.71Å; D490-R494 PolarHBondContact OD1-NE 2.69Å; D490-R494 IonicContact OD1-NH2 2.81Å; D490-R494 PolarHBondContact OD1-NH2 3.07Å; D490-R494 VanDerWaalsContact OD1-NH2 3.13Å; D490-R494 IonicContact OD2-CZ 3.51Å; D490-R494 IonicContact OD2-NE 2.7Å; D490-R494 PolarHBondContact OD2-NE 2.76Å; D490-R494 IonicContact OD2-NH2 3.11Å; D490-R494 PolarHBondContact OD2-NH2 2.99Å
491	L	73.7	Confident	65.5	Low	89 Å²	89	108.1 Å²	108.1	47%	0.466	56%	0.558	S	S	.	*	H	α-helix	trans	-67.5	-37.6	170.2	-104.8	168	0	0	0	112.7	N487 N489 I495	N487-L491 PolarHBondContact O-N 3.36Å; N489-L491 VanDerWaalsContact C-N 3.25Å; N489-L491 PolarHBondContact O-N 3.3Å; L491-I495 WeakPolarHBondContact O-CD1 3.29Å; L491-I495 VanDerWaalsContact O-CG1 3.24Å; L491-I495 WeakPolarHBondContact O-CG1 3.36Å; L491-I495 PolarHBondContact O-N 3.23Å; L491-I495 VanDerWaalsContact O-N 3.15Å
492	L	74	Confident	65.5	Low	97 Å²	97	110 Å²	110	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-70.5	-47.6	174.3	-78.6	163.9	0	0	0	111.6	T488 N489 R494 I495 E496	T488-L492 WeakPolarHBondContact O-CB 3.45Å; T488-L492 WeakPolarHBondContact O-CG 3.37Å; T488-L492 PolarHBondContact O-N 3.5Å; N489-L492 CarbonylContact O-C 3.59Å; N489-L492 WeakPolarHBondContact O-CA 3.4Å; N489-L492 WeakPolarHBondContact O-CB 3.47Å; N489-L492 PolarHBondContact O-N 2.87Å; N489-L492 VanDerWaalsContact O-N 3.07Å; L492-R494 PolarHBondContact O-N 3.22Å; L492-I495 CarbonylContact O-C 3.56Å; L492-I495 WeakPolarHBondContact O-CA 3.11Å; L492-I495 PolarHBondContact O-N 2.83Å; L492-E496 WeakPolarHBondContact O-CG 3.12Å; L492-E496 PolarHBondContact O-N 2.91Å
493	E	76.7	Confident	65.8	Low	138 Å²	138	102.8 Å²	102.8	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-57.3	-38	173.9	-78.5	-173.7	125.2	0	0	111.6	N489 I495 G497	N489-E493 PolarHBondContact O-N 3.1Å; E493-I495 VanDerWaalsContact C-N 3.33Å; E493-I495 PolarHBondContact O-N 3.01Å; E493-G497 WeakPolarHBondContact O-CA 3.5Å; E493-G497 PolarHBondContact O-N 3.4Å
494	R	76.5	Confident	66.2	Low	160 Å²	160	105 Å²	105	60%	0.604	54%	0.538	S	S	*	.	H	α-helix	trans	-68.7	-28.1	174	-74.9	170	-161.7	-141.9	10.2	113.8	D490 L492 I498	D490-R494 VanDerWaalsContact CG-NE 3.33Å; D490-R494 VanDerWaalsContact CG-NH2 3.33Å; D490-R494 VanDerWaalsContact O-CB 3.25Å; D490-R494 WeakPolarHBondContact O-CB 3.49Å; D490-R494 WeakPolarHBondContact O-CD 3.3Å; D490-R494 WeakPolarHBondContact O-CG 3.48Å; D490-R494 PolarHBondContact O-N 3.49Å; D490-R494 IonicContact OD1-CZ 3.32Å; D490-R494 IonicContact OD1-NE 2.71Å; D490-R494 PolarHBondContact OD1-NE 2.69Å; D490-R494 IonicContact OD1-NH2 2.81Å; D490-R494 PolarHBondContact OD1-NH2 3.07Å; D490-R494 VanDerWaalsContact OD1-NH2 3.13Å; D490-R494 IonicContact OD2-CZ 3.51Å; D490-R494 IonicContact OD2-NE 2.7Å; D490-R494 PolarHBondContact OD2-NE 2.76Å; D490-R494 IonicContact OD2-NH2 3.11Å; D490-R494 PolarHBondContact OD2-NH2 2.99Å; L492-R494 PolarHBondContact O-N 3.22Å; R494-I498 VanDerWaalsContact O-CG1 3.29Å; R494-I498 WeakPolarHBondContact O-CG1 3.35Å
495	I	73.6	Confident	66.8	Low	76 Å²	76	98.9 Å²	98.9	39%	0.39	53%	0.525	S	S	.	.	H	α-helix	trans	-82	-44.4	176.8	-72.2	167.1	0	0	0	110.6	L393 L491 L492 E493 G497 I498	L393-I495 HydrophobicContact CD1-CD1 4.39Å; L491-I495 WeakPolarHBondContact O-CD1 3.29Å; L491-I495 VanDerWaalsContact O-CG1 3.24Å; L491-I495 WeakPolarHBondContact O-CG1 3.36Å; L491-I495 PolarHBondContact O-N 3.23Å; L491-I495 VanDerWaalsContact O-N 3.15Å; L492-I495 CarbonylContact O-C 3.56Å; L492-I495 WeakPolarHBondContact O-CA 3.11Å; L492-I495 PolarHBondContact O-N 2.83Å; E493-I495 VanDerWaalsContact C-N 3.33Å; E493-I495 PolarHBondContact O-N 3.01Å; I495-G497 PolarHBondContact O-N 2.89Å; I495-I498 HydrophobicContact CG1-CD1 4.41Å; I495-I498 WeakPolarHBondContact O-CB 3.43Å; I495-I498 WeakPolarHBondContact O-CG1 3.37Å; I495-I498 PolarHBondContact O-N 2.98Å
496	E	71.5	Confident	67.9	Low	163 Å²	163	94.3 Å²	94.3	76%	0.762	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-30	171.3	-68.3	-176.5	150.6	0	0	111.6	L492 I498	L492-E496 WeakPolarHBondContact O-CG 3.12Å; L492-E496 PolarHBondContact O-N 2.91Å; E496-I498 VanDerWaalsContact C-N 3.33Å
497	G	69.6	Low	69.3	Low	50 Å²	50	91.4 Å²	91.4	52%	0.515	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	2.3	172.2	0	0	0	0	0	115.8	E493 I495 T499	E493-G497 WeakPolarHBondContact O-CA 3.5Å; E493-G497 PolarHBondContact O-N 3.4Å; I495-G497 PolarHBondContact O-N 2.89Å; G497-T499 PolarHBondContact O-N 3.48Å
498	I	68.9	Low	70.7	Confident	78 Å²	78	90.4 Å²	90.4	40%	0.4	47%	0.474	S	S	.	.			trans	-73.2	94.5	173.2	-61	176.1	0	0	0	108.8	R494 I495 E496 L500	R494-I498 VanDerWaalsContact O-CG1 3.29Å; R494-I498 WeakPolarHBondContact O-CG1 3.35Å; I495-I498 HydrophobicContact CG1-CD1 4.41Å; I495-I498 WeakPolarHBondContact O-CB 3.43Å; I495-I498 WeakPolarHBondContact O-CG1 3.37Å; I495-I498 PolarHBondContact O-N 2.98Å; E496-I498 VanDerWaalsContact C-N 3.33Å; I498-L500 HydrophobicContact CG2-CD2 3.86Å; I498-L500 HydrophobicContact CG2-CG 4.2Å; I498-L500 PolarHBondContact O-N 2.92Å
499	T	60.4	Low	72	Confident	131 Å²	131	86.6 Å²	86.6	80%	0.804	45%	0.45	S	S	*	.			trans	-72.6	91.9	168.7	-20.2	0	0	0	0	109.4	G497 N501	G497-T499 PolarHBondContact O-N 3.48Å; T499-N501 PolarHBondContact O-N 2.89Å
500	L	61.5	Low	73.1	Confident	102 Å²	102	87.5 Å²	87.5	53%	0.534	45%	0.449	S	S	.	.			trans	-63.3	125.1	167.3	-63.4	174.8	0	0	0	108.4	I386 I498 E502	I386-L500 HydrophobicContact CD1-CD1 4.18Å; I498-L500 HydrophobicContact CG2-CD2 3.86Å; I498-L500 HydrophobicContact CG2-CG 4.2Å; I498-L500 PolarHBondContact O-N 2.92Å; L500-E502 PolarHBondContact O-N 2.95Å; L500-E502 VanDerWaalsContact O-N 3.16Å
501	N	59.3	Low	74	Confident	118 Å²	118	85.9 Å²	85.9	63%	0.631	44%	0.44	S	S	*	.			trans	-63.8	116.3	177.4	-71.6	-34.7	0	0	0	109.4	T499 I503 N693	T499-N501 PolarHBondContact O-N 2.89Å; N501-I503 VanDerWaalsContact O-CG1 3.25Å; N501-I503 WeakPolarHBondContact O-CG1 3.39Å; N501-I503 PolarHBondContact O-N 2.84Å; N501-N693 HydrophobicContact CB-CB 4.34Å
502	E	58.7	Low	75	Confident	132 Å²	132	83.8 Å²	83.8	62%	0.617	43%	0.429	S	S	*	.			trans	-62.8	99.8	176.8	-70.3	-176.3	-161.4	0	0	110.4	L500 Y504 N693	L500-E502 PolarHBondContact O-N 2.95Å; L500-E502 VanDerWaalsContact O-N 3.16Å; E502-Y504 HydrophobicContact CB-CE1 3.8Å; E502-Y504 HydrophobicContact CB-CE2 4.25Å; E502-Y504 WeakPolarHBondContact CB-OH 3.5Å; E502-Y504 WeakPolarHBondContact O-CD2 3.37Å; E502-Y504 WeakPolarHBondContact O-CE2 3.35Å; E502-Y504 PolarHBondContact O-N 2.88Å; E502-Y504 VanDerWaalsContact O-N 3.09Å; E502-Y504 VanDerWaalsContact OE2-CE1 3.31Å; E502-Y504 WeakPolarHBondContact OE2-CE1 3.45Å; E502-Y504 VanDerWaalsContact OE2-CZ 3.3Å; E502-Y504 PolarHBondContact OE2-OH 2.84Å; E502-N693 VanDerWaalsContact C-ND2 3.27Å; E502-N693 PolarHBondContact O-ND2 2.96Å
503	I	59.8	Low	75.8	Confident	31 Å²	31	83.6 Å²	83.6	16%	0.159	43%	0.428	C	S	.	.			trans	-82.6	92.6	-177.2	-41.4	-178.7	0	0	0	109.9	M378 F381 N501 N693 I743	M378-I503 WeakPolarHBondContact CE-O 3.47Å; F381-I503 HydrophobicContact CD1-CD1 4.23Å; F381-I503 HydrophobicContact CE1-CD1 3.49Å; F381-I503 VanDerWaalsContact CE1-CD1 3.49Å; F381-I503 HydrophobicContact CZ-CD1 3.99Å; N501-I503 VanDerWaalsContact O-CG1 3.25Å; N501-I503 WeakPolarHBondContact O-CG1 3.39Å; N501-I503 PolarHBondContact O-N 2.84Å; I503-N693 WeakPolarHBondContact CA-ND2 3.45Å; I503-I743 HydrophobicContact CB-CD1 4.1Å; I503-I743 HydrophobicContact CD1-CD1 3.57Å; I503-I743 HydrophobicContact CG1-CD1 4.43Å; I503-I743 HydrophobicContact CG2-CD1 3.67Å
504	Y	66.2	Low	76.3	Confident	123 Å²	123	82.4 Å²	82.4	48%	0.482	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-65.8	148.2	177.4	-53.3	-62.1	0	0	0	111.9	E502 N692	E502-Y504 HydrophobicContact CB-CE1 3.8Å; E502-Y504 HydrophobicContact CB-CE2 4.25Å; E502-Y504 WeakPolarHBondContact CB-OH 3.5Å; E502-Y504 WeakPolarHBondContact O-CD2 3.37Å; E502-Y504 WeakPolarHBondContact O-CE2 3.35Å; E502-Y504 PolarHBondContact O-N 2.88Å; E502-Y504 VanDerWaalsContact O-N 3.09Å; E502-Y504 VanDerWaalsContact OE2-CE1 3.31Å; E502-Y504 WeakPolarHBondContact OE2-CE1 3.45Å; E502-Y504 VanDerWaalsContact OE2-CZ 3.3Å; E502-Y504 PolarHBondContact OE2-OH 2.84Å; Y504-N692 PolarHBondContact O-ND2 2.68Å
505	P	66.9	Low	77	Confident	78 Å²	78	79.8 Å²	79.8	51%	0.506	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-59.7	146.3	165.2	27.8	-34.8	0	0	0	109.8	A744	P505-A744 HydrophobicContact CB-CB 3.94Å
506	P	82.5	Confident	77.8	Confident	5 Å²	5	77.2 Å²	77.2	3%	0.032	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-68.8	145.6	-170.7	30.3	-36.8	0	0	0	111.1	I697 S739 N741 S746	P506-I697 HydrophobicContact CB-CD1 4.23Å; P506-I697 HydrophobicContact CB-CG1 4.46Å; P506-S739 WeakPolarHBondContact CB-OG 3.41Å; P506-S739 PolarHBondContact O-OG 2.68Å; P506-N741 WeakPolarHBondContact CD-OD1 3.45Å; P506-S746 VanDerWaalsContact O-CB 3.23Å; P506-S746 WeakPolarHBondContact O-CB 3.47Å
507	P	84.7	Confident	78.8	Confident	27 Å²	27	73 Å²	73	18%	0.175	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-67.5	139.3	-173.4	26.9	-35.3	0	0	0	111.4	P509 T529 S739	P507-P509 VanDerWaalsContact O-CD 3.29Å; P507-P509 WeakPolarHBondContact O-CD 3.44Å; P507-T529 HydrophobicContact CG-CG2 4.09Å; P507-S739 PolarHBondContact O-OG 2.69Å
508	V	89.9	Confident	79.8	Confident	65 Å²	65	73.6 Å²	73.6	39%	0.394	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-61.2	117.6	178.2	179.5	0	0	0	0	109.5	A747	V508-A747 HydrophobicContact CG2-CB 4.11Å
509	P	93.1	Very high	80.6	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.006	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	151.7	178.9	28.2	-32.8	0	0	0	111.5	P507 D528 T529 F699 I737 S749	P507-P509 VanDerWaalsContact O-CD 3.29Å; P507-P509 WeakPolarHBondContact O-CD 3.44Å; P509-D528 WeakPolarHBondContact CA-O 3.4Å; P509-T529 HydrophobicContact CB-CG2 4.4Å; P509-F699 HydrophobicContact CB-CD1 4.11Å; P509-F699 HydrophobicContact CB-CE1 4.06Å; P509-F699 HydrophobicContact CG-CD1 4.09Å; P509-F699 HydrophobicContact CG-CE1 4.4Å; P509-I737 HydrophobicContact CB-CG2 4.36Å; P509-I737 HydrophobicContact CG-CB 4.5Å; P509-I737 HydrophobicContact CG-CG1 4.13Å; P509-I737 HydrophobicContact CG-CG2 4.03Å; P509-S749 VanDerWaalsContact O-CB 3.25Å; P509-S749 WeakPolarHBondContact O-CB 3.48Å
510	K	93.5	Very high	81.8	Confident	128 Å²	128	68.1 Å²	68.1	56%	0.557	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.4	-178.7	-176.9	174.8	-178.8	174.8	0	111	I512 W527 D528	K510-I512 PolarHBondContact O-N 3.13Å; K510-W527 WeakPolarHBondContact O-CA 3.49Å; K510-W527 WeakPolarHBondContact O-CB 3.28Å; K510-D528 PolarHBondContact N-O 3.41Å; K510-D528 PolarHBondContact O-N 3.34Å
511	I	94.1	Very high	83	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.062	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.7	176	-59.8	169.9	0	0	0	109.8	L513 L525 F735 I737 V752	I511-L513 PolarHBondContact O-N 3.03Å; I511-L525 HydrophobicContact CD1-CD2 4.21Å; I511-L525 HydrophobicContact CG2-CD2 3.79Å; I511-F735 HydrophobicContact CD1-CB 4.29Å; I511-I737 HydrophobicContact CD1-CG2 3.85Å; I511-I737 HydrophobicContact CG1-CG2 3.52Å; I511-V752 HydrophobicContact CB-CG1 4.28Å; I511-V752 HydrophobicContact CB-CG2 4.43Å; I511-V752 HydrophobicContact CD1-CG1 4.38Å; I511-V752 HydrophobicContact CD1-CG2 3.63Å; I511-V752 HydrophobicContact CG2-CG2 4.14Å
512	I	93.2	Very high	84.5	Confident	44 Å²	44	59.2 Å²	59.2	23%	0.226	31%	0.313	C	S	.	.			trans	-92.8	82.4	-179.5	-54.5	177.9	0	0	0	108.5	K510 S514 Q515 C516 L526 D528	K510-I512 PolarHBondContact O-N 3.13Å; I512-S514 PolarHBondContact O-N 3.05Å; I512-S514 VanDerWaalsContact O-N 3.11Å; I512-Q515 HydrophobicContact CB-CB 4.47Å; I512-Q515 HydrophobicContact CG2-CB 3.97Å; I512-Q515 HydrophobicContact CG2-CG 3.78Å; I512-Q515 PolarHBondContact O-N 2.85Å; I512-C516 PolarHBondContact O-N 2.91Å; I512-C516 PolarHBondContact O-SG 3.13Å; I512-L526 HydrophobicContact CD1-CD2 4.24Å; I512-L526 PolarHBondContact N-O 2.92Å; I512-D528 HydrophobicContact CD1-CB 3.88Å
513	L	90.5	Very high	86.2	Confident	93 Å²	93	53 Å²	53	49%	0.487	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-53.9	-31.6	-177.1	-84.7	170.6	0	0	0	114.4	I511 Q515 C516 V752 I754	I511-L513 PolarHBondContact O-N 3.03Å; L513-Q515 PolarHBondContact O-N 2.81Å; L513-C516 PolarHBondContact O-N 3.04Å; L513-V752 HydrophobicContact CD1-CB 4.1Å; L513-V752 HydrophobicContact CD1-CG1 3.84Å; L513-V752 HydrophobicContact CD2-CB 4.02Å; L513-V752 HydrophobicContact CD2-CG1 4.39Å; L513-V752 HydrophobicContact CD2-CG2 4.23Å; L513-V752 HydrophobicContact CG-CB 4.24Å; L513-V752 HydrophobicContact CG-CG1 4.06Å; L513-I754 HydrophobicContact CD2-CD1 3.83Å; L513-I754 HydrophobicContact CD2-CG1 3.81Å
514	S	88.6	Confident	87.8	Confident	113 Å²	113	53 Å²	53	79%	0.79	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72.6	-9.7	177.2	51.6	0	0	0	0	114.8	I512	I512-S514 PolarHBondContact O-N 3.05Å; I512-S514 VanDerWaalsContact O-N 3.11Å
515	Q	90.3	Very high	89.2	Confident	105 Å²	105	47.2 Å²	47.2	49%	0.491	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-118.4	3.5	176.4	-61	-172.1	45.9	0	0	112.4	I512 L513 L526	I512-Q515 HydrophobicContact CB-CB 4.47Å; I512-Q515 HydrophobicContact CG2-CB 3.97Å; I512-Q515 HydrophobicContact CG2-CG 3.78Å; I512-Q515 PolarHBondContact O-N 2.85Å; L513-Q515 PolarHBondContact O-N 2.81Å; Q515-L526 HydrophobicContact CB-CB 4.41Å; Q515-L526 HydrophobicContact CB-CD2 3.68Å; Q515-L526 HydrophobicContact CG-CD2 4.3Å
516	C	91.2	Very high	90.5	Very high	22 Å²	22	44.5 Å²	44.5	15%	0.149	24%	0.242	C	C	.	.			trans	-77.8	138.5	171.9	-63.1	0	0	0	0	110.1	I512 L513 Q524 I754	I512-C516 PolarHBondContact O-N 2.91Å; I512-C516 PolarHBondContact O-SG 3.13Å; L513-C516 PolarHBondContact O-N 3.04Å; C516-Q524 CarbonylContact C-O 3.54Å; C516-Q524 WeakPolarHBondContact CA-O 3.44Å; C516-Q524 WeakPolarHBondContact CB-O 3.33Å; C516-I754 HydrophobicContact CB-CD1 4.27Å
517	L	92.1	Very high	91.1	Very high	75 Å²	75	44.5 Å²	44.5	39%	0.393	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.7	-179.8	-59.1	172.4	0	0	0	110.7	I523 Q524 I679	L517-I523 CarbonylContact O-C 3.59Å; L517-I523 WeakPolarHBondContact O-CA 3.13Å; L517-Q524 HydrophobicContact CB-CB 4.25Å; L517-Q524 PolarHBondContact N-O 3.14Å; L517-Q524 PolarHBondContact O-N 2.8Å; L517-I679 HydrophobicContact CD1-CD1 4.33Å
518	V	90.6	Very high	91.3	Very high	63 Å²	63	46.5 Å²	46.5	38%	0.382	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.6	175	-177	0	0	0	0	108.7	I523 I754	V518-I523 HydrophobicContact CG1-CG1 4.39Å; V518-I523 HydrophobicContact CG2-CG1 4.3Å; V518-I754 HydrophobicContact CG2-CG2 3.68Å
519	E	85.6	Confident	90.6	Very high	73 Å²	73	43.5 Å²	43.5	34%	0.341	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	102	-179.9	-69.6	-174.6	163.5	0	0	109.3	N521 S522 R723	E519-N521 PolarHBondContact O-N 3.45Å; E519-S522 PolarHBondContact N-O 2.84Å; E519-S522 PolarHBondContact O-N 2.89Å; E519-S522 PolarHBondContact O-OG 3.19Å; E519-R723 IonicContact OE2-CZ 2.85Å; E519-R723 IonicContact OE2-NH1 3.14Å; E519-R723 PolarHBondContact OE2-NH1 3.43Å; E519-R723 IonicContact OE2-NH2 2.7Å; E519-R723 PolarHBondContact OE2-NH2 2.96Å
520	S	85.7	Confident	89	Confident	20 Å²	20	48.9 Å²	48.9	14%	0.14	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-106.5	-178.7	-162.4	0	0	0	0	113	L729 A757 S761	S520-L729 WeakPolarHBondContact O-CD2 3.49Å; S520-A757 WeakPolarHBondContact O-CB 3.44Å; S520-A757 PolarHBondContact O-N 2.85Å; S520-A757 VanDerWaalsContact O-N 3.07Å; S520-S761 WeakPolarHBondContact CB-O 3.28Å; S520-S761 PolarHBondContact OG-N 3.34Å; S520-S761 PolarHBondContact OG-O 2.86Å
521	N	87.5	Confident	86.8	Confident	31 Å²	31	46 Å²	46	17%	0.166	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	17	178.8	67.8	-21.3	0	0	0	113.6	E519 G726 L727 L729	E519-N521 PolarHBondContact O-N 3.45Å; N521-G726 PolarHBondContact O-N 3.46Å; N521-L727 WeakPolarHBondContact CB-O 3.38Å; N521-L727 WeakPolarHBondContact O-CB 3.41Å; N521-L727 PolarHBondContact O-N 2.67Å; N521-L729 HydrophobicContact CB-CD2 4.16Å; N521-L729 HydrophobicContact CB-CG 4.46Å
522	S	89.9	Confident	84.1	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.1	-179.9	68.9	0	0	0	0	112.6	E519 R723 V724	E519-S522 PolarHBondContact N-O 2.84Å; E519-S522 PolarHBondContact O-N 2.89Å; E519-S522 PolarHBondContact O-OG 3.19Å; S522-R723 PolarHBondContact OG-NH2 3.31Å; S522-V724 CarbonylContact C-O 3.6Å; S522-V724 VanDerWaalsContact CA-O 3.23Å; S522-V724 WeakPolarHBondContact CA-O 3.27Å
523	I	94	Very high	81.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.5	177.8	-62.7	176.7	0	0	0	107.8	L517 V518 L525 V724 L727 F735 I754 T756	L517-I523 CarbonylContact O-C 3.59Å; L517-I523 WeakPolarHBondContact O-CA 3.13Å; V518-I523 HydrophobicContact CG1-CG1 4.39Å; V518-I523 HydrophobicContact CG2-CG1 4.3Å; I523-L525 HydrophobicContact CG2-CD1 3.97Å; I523-L525 HydrophobicContact CG2-CG 4.05Å; I523-V724 PolarHBondContact N-O 2.88Å; I523-V724 PolarHBondContact O-N 2.97Å; I523-L727 HydrophobicContact CB-CD1 4.01Å; I523-L727 HydrophobicContact CD1-CD1 3.75Å; I523-L727 HydrophobicContact CG1-CD1 3.7Å; I523-F735 HydrophobicContact CB-CZ 4.33Å; I523-F735 HydrophobicContact CD1-CE2 3.73Å; I523-F735 HydrophobicContact CD1-CZ 3.93Å; I523-F735 HydrophobicContact CG2-CE2 4.24Å; I523-F735 HydrophobicContact CG2-CZ 4.27Å; I523-I754 HydrophobicContact CD1-CB 4.11Å; I523-I754 HydrophobicContact CD1-CG2 3.77Å; I523-I754 HydrophobicContact CG1-CG2 4.34Å; I523-I754 HydrophobicContact CG2-CD1 4.11Å; I523-I754 HydrophobicContact CG2-CG2 4.05Å; I523-T756 HydrophobicContact CD1-CG2 3.92Å; I523-T756 HydrophobicContact CG1-CG2 4.23Å
524	Q	94.7	Very high	78	Confident	33 Å²	33	53 Å²	53	15%	0.154	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.1	170.8	-175.5	175.4	-30	0	0	108.8	C516 L517 V721 C722 R723	C516-Q524 CarbonylContact C-O 3.54Å; C516-Q524 WeakPolarHBondContact CA-O 3.44Å; C516-Q524 WeakPolarHBondContact CB-O 3.33Å; L517-Q524 HydrophobicContact CB-CB 4.25Å; L517-Q524 PolarHBondContact N-O 3.14Å; L517-Q524 PolarHBondContact O-N 2.8Å; Q524-V721 HydrophobicContact CG-CG2 3.95Å; Q524-C722 CarbonylContact C-O 3.48Å; Q524-C722 WeakPolarHBondContact CA-O 3.41Å; Q524-R723 HydrophobicContact CB-CG 4.5Å
525	L	95.2	Very high	75.2	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.2	177.9	-73	125.8	0	0	0	110.4	I511 I523 W527 L701 V721 C722 V724 F735 I754	I511-L525 HydrophobicContact CD1-CD2 4.21Å; I511-L525 HydrophobicContact CG2-CD2 3.79Å; I523-L525 HydrophobicContact CG2-CD1 3.97Å; I523-L525 HydrophobicContact CG2-CG 4.05Å; L525-W527 HydrophobicContact CB-CE3 4.21Å; L525-W527 HydrophobicContact CB-CZ3 3.96Å; L525-L701 HydrophobicContact CD1-CD1 4.48Å; L525-L701 HydrophobicContact CD1-CD2 4.08Å; L525-V721 WeakPolarHBondContact O-CA 3.29Å; L525-V721 WeakPolarHBondContact O-CG2 3.32Å; L525-C722 PolarHBondContact N-O 3.1Å; L525-C722 PolarHBondContact O-N 2.79Å; L525-V724 HydrophobicContact CD1-CG2 4.34Å; L525-F735 HydrophobicContact CD1-CD1 3.49Å; L525-F735 VanDerWaalsContact CD1-CD1 3.49Å; L525-F735 HydrophobicContact CD1-CD2 4.3Å; L525-F735 HydrophobicContact CD1-CE1 3.51Å; L525-F735 HydrophobicContact CD1-CE2 4.32Å; L525-F735 HydrophobicContact CD1-CG 3.9Å; L525-F735 HydrophobicContact CD1-CZ 3.94Å; L525-F735 HydrophobicContact CD2-CB 4.09Å; L525-F735 HydrophobicContact CD2-CD1 4.42Å; L525-F735 HydrophobicContact CD2-CD2 4.32Å; L525-F735 HydrophobicContact CD2-CG 4.03Å; L525-I754 HydrophobicContact CD2-CD1 3.67Å; L525-I754 HydrophobicContact CG-CD1 4.33Å
526	L	94.2	Very high	72.3	Confident	21 Å²	21	55 Å²	55	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.2	171.2	-169.8	81.3	0	0	0	108.7	I512 Q515 I685 Y720 V721	I512-L526 HydrophobicContact CD1-CD2 4.24Å; I512-L526 PolarHBondContact N-O 2.92Å; Q515-L526 HydrophobicContact CB-CB 4.41Å; Q515-L526 HydrophobicContact CB-CD2 3.68Å; Q515-L526 HydrophobicContact CG-CD2 4.3Å; L526-I685 HydrophobicContact CD1-CD1 4.17Å; L526-I685 HydrophobicContact CD2-CD1 3.9Å; L526-Y720 WeakPolarHBondContact CD1-O 3.37Å; L526-V721 HydrophobicContact CD1-CB 3.92Å; L526-V721 HydrophobicContact CD1-CG2 4.1Å
527	W	94	Very high	69.3	Low	4 Å²	4	62.1 Å²	62.1	2%	0.015	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	166.8	174.3	52.2	89.1	0	0	0	111.6	K510 L525 F699 L701 Y715 E719 Y720 C722 I737	K510-W527 WeakPolarHBondContact O-CA 3.49Å; K510-W527 WeakPolarHBondContact O-CB 3.28Å; L525-W527 HydrophobicContact CB-CE3 4.21Å; L525-W527 HydrophobicContact CB-CZ3 3.96Å; W527-F699 HydrophobicContact CZ2-CB 4.22Å; W527-F699 AromaticContact NE1-CD1 3.85Å; W527-F699 AromaticContact NE1-CD2 3.39Å; W527-F699 AromaticContact NE1-CE2 3.87Å; W527-F699 AromaticContact NE1-CG 3.37Å; W527-L701 HydrophobicContact CH2-CB 4.45Å; W527-L701 HydrophobicContact CH2-CD2 4.21Å; W527-L701 HydrophobicContact CZ3-CD1 4.49Å; W527-L701 HydrophobicContact CZ3-CD2 4.03Å; W527-Y715 HydrophobicContact CH2-CD1 4.02Å; W527-Y715 HydrophobicContact CH2-CE1 4.26Å; W527-Y715 HydrophobicContact CZ2-CD1 4.06Å; W527-Y715 AromaticContact CZ2-CE1 3.9Å; W527-Y715 HydrophobicContact CZ2-CE1 3.9Å; W527-E719 WeakPolarHBondContact CZ2-O 3.33Å; W527-E719 PolarHBondContact NE1-O 3.44Å; W527-Y720 PolarHBondContact N-O 3.11Å; W527-C722 HydrophobicContact CH2-CB 3.53Å; W527-C722 HydrophobicContact CZ3-CB 3.94Å; W527-I737 HydrophobicContact CB-CD1 4.45Å; W527-I737 HydrophobicContact CD2-CD1 3.18Å; W527-I737 HydrophobicContact CE3-CD1 3.56Å; W527-I737 HydrophobicContact CG-CD1 3.61Å; W527-I737 HydrophobicContact CH2-CD1 3.82Å; W527-I737 HydrophobicContact CZ2-CD1 3.49Å; W527-I737 VanDerWaalsContact CZ2-CD1 3.49Å; W527-I737 HydrophobicContact CZ3-CD1 3.87Å
528	D	88.7	Confident	66.1	Low	70 Å²	70	65.7 Å²	65.7	37%	0.374	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	151.8	172.1	-176.1	24.8	0	0	0	110.3	P509 K510 I512	P509-D528 WeakPolarHBondContact CA-O 3.4Å; K510-D528 PolarHBondContact N-O 3.41Å; K510-D528 PolarHBondContact O-N 3.34Å; I512-D528 HydrophobicContact CD1-CB 3.88Å
529	T	75.5	Confident	63.2	Low	1 Å²	1	70 Å²	70	1%	0.006	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.4	167	44.4	0	0	0	0	108.3	P507 P509 N531 F699 Y720	P507-T529 HydrophobicContact CG-CG2 4.09Å; P509-T529 HydrophobicContact CB-CG2 4.4Å; T529-N531 PolarHBondContact O-N 2.88Å; T529-F699 HydrophobicContact CG2-CE1 3.43Å; T529-F699 VanDerWaalsContact CG2-CE1 3.43Å; T529-F699 HydrophobicContact CG2-CZ 3.6Å; T529-Y720 HydrophobicContact CG2-CE1 4.43Å
530	I	60.1	Low	60.5	Low	115 Å²	115	74.6 Å²	74.6	59%	0.59	40%	0.403	S	S	*	.			trans	-56.7	109.9	173.4	-59.9	176.6	0	0	0	107.6	T532	I530-T532 PolarHBondContact O-N 2.92Å
531	N	46.9	Very low	57.7	Low	67 Å²	67	81 Å²	81	36%	0.358	44%	0.436	S	S	.	.			trans	-64.5	105	-169.3	-91.7	-60.7	0	0	0	111	T529 S533 T690	T529-N531 PolarHBondContact O-N 2.88Å; N531-S533 PolarHBondContact O-N 2.92Å; N531-T690 VanDerWaalsContact OD1-CG2 3.3Å; N531-T690 WeakPolarHBondContact OD1-CG2 3.48Å
532	T	37	Very low	54.8	Low	99 Å²	99	88 Å²	88	61%	0.607	47%	0.468	S	S	*	.			trans	-72.6	40.1	158.7	52.7	0	0	0	0	110.8	I530 T534	I530-T532 PolarHBondContact O-N 2.92Å; T532-T534 VanDerWaalsContact C-N 3.34Å
533	S	31.6	Very low	51.8	Low	87 Å²	87	95.7 Å²	95.7	61%	0.608	50%	0.503	S	S	*	.			trans	-98.4	19.5	176.1	81.8	0	0	0	0	112	N531 P535	N531-S533 PolarHBondContact O-N 2.92Å; S533-P535 VanDerWaalsContact O-CD 3.23Å; S533-P535 WeakPolarHBondContact O-CD 3.19Å
534	T	25.7	Very low	48.5	Very low	109 Å²	109	104.9 Å²	104.9	67%	0.669	54%	0.539	S	S	*	.			trans	-82.2	103.2	147.1	49.2	0	0	0	0	107.2	T532 L536	T532-T534 VanDerWaalsContact C-N 3.34Å; T534-L536 PolarHBondContact O-N 2.87Å
535	P	28.9	Very low	45.3	Very low	97 Å²	97	111.6 Å²	111.6	63%	0.63	57%	0.57	S	S	*	*			trans	-55	137.2	150.9	27.5	-33.3	0	0	0	106.8	S533 K537	S533-P535 VanDerWaalsContact O-CD 3.23Å; S533-P535 WeakPolarHBondContact O-CD 3.19Å; P535-K537 PolarHBondContact O-N 2.83Å
536	L	28.9	Very low	41.9	Very low	164 Å²	164	117.8 Å²	117.8	86%	0.859	60%	0.601	S	S	*	*			trans	-70	74.5	166.8	-76.8	168.7	0	0	0	108.4	T534 N538	T534-L536 PolarHBondContact O-N 2.87Å; L536-N538 PolarHBondContact O-N 3.48Å
537	K	27.9	Very low	38.7	Very low	172 Å²	172	124 Å²	124	75%	0.748	63%	0.629	S	S	*	*			trans	-57.3	132	149.9	-75.2	-172.9	174.1	-175.6	0	106.2	P535 D539	P535-K537 PolarHBondContact O-N 2.83Å; K537-D539 VanDerWaalsContact C-N 3.26Å; K537-D539 PolarHBondContact O-N 2.86Å
538	N	25.4	Very low	35.4	Very low	150 Å²	150	134.2 Å²	134.2	80%	0.802	67%	0.674	S	S	*	*			trans	-65.6	90.4	171.3	-60.5	-38.7	0	0	0	108.5	L536 E540	L536-N538 PolarHBondContact O-N 3.48Å; N538-E540 PolarHBondContact O-N 2.98Å
539	D	29	Very low	32.3	Very low	154 Å²	154	135 Å²	135	82%	0.824	69%	0.685	S	S	*	*			trans	-66.8	109.2	149.8	-83.9	-24.4	0	0	0	105.9	K537	K537-D539 VanDerWaalsContact C-N 3.26Å; K537-D539 PolarHBondContact O-N 2.86Å
540	E	29.5	Very low	30	Very low	168 Å²	168	144.3 Å²	144.3	79%	0.785	73%	0.726	S	S	*	*			trans	-58.8	145.8	173.6	-57.5	176.6	138	0	0	109	N538	N538-E540 PolarHBondContact O-N 2.98Å
541	N	27.8	Very low	28.2	Very low	155 Å²	155	144.7 Å²	144.7	83%	0.829	74%	0.738	S	S	*	*			trans	73.4	95.5	-171.3	-38.8	-79.8	0	0	0	113.2
542	E	26.1	Very low	27.2	Very low	179 Å²	179	148.2 Å²	148.2	84%	0.836	76%	0.757	S	S	*	*				-152.8	96.5	64.9	-79.9	-171.5	156.4	0	0	112.8
543	H	27.2	Very low	26.8	Very low	163 Å²	163	149.8 Å²	149.8	76%	0.755	76%	0.761	S	S	*	*			trans	-102.8	85.7	164.9	-154.5	-38.9	0	0	0	110.1
544	Y	24.5	Very low	26.4	Very low	193 Å²	193	153.9 Å²	153.9	76%	0.757	78%	0.776	S	S	*	*			trans	-60.1	140	169.1	-115.3	-92.1	0	0	0	109.8
545	H	27.6	Very low	26.5	Very low	174 Å²	174	155.1 Å²	155.1	81%	0.806	78%	0.778	S	S	*	*			trans	53.7	70.3	179.1	-76	-62.2	0	0	0	117.7
546	M	22.8	Very low	26.2	Very low	132 Å²	132	156.4 Å²	156.4	65%	0.65	78%	0.784	S	S	*	*			trans	-81.7	152.6	145.4	-140.1	-152.8	-68	0	0	111.3
547	Q	27.3	Very low	26	Very low	152 Å²	152	153.2 Å²	153.2	71%	0.71	78%	0.776	S	S	*	*			trans	42.1	104.9	156.3	-70.1	173.5	4.8	0	0	120.4	S549	Q547-S549 PolarHBondContact O-N 2.75Å
548	K	24.3	Very low	26	Very low	217 Å²	217	152.1 Å²	152.1	94%	0.943	78%	0.778	S	S	*	*			trans	-80	91.7	135.3	-91.1	-173.8	174.3	177.8	0	109
549	S	25	Very low	26.1	Very low	88 Å²	88	149.7 Å²	149.7	62%	0.615	77%	0.773	S	S	*	*	S	Bend	trans	-161.1	112	161.3	-94.2	0	0	0	0	111.6	Q547	Q547-S549 PolarHBondContact O-N 2.75Å
550	F	26	Very low	26	Very low	195 Å²	195	149.4 Å²	149.4	86%	0.855	77%	0.771	S	S	*	*			trans	42.3	97.4	160.8	-74	-87.6	0	0	0	120.2
551	S	22.7	Very low	26	Very low	123 Å²	123	150 Å²	150	86%	0.86	77%	0.774	S	S	*	*			trans	-119.9	69.8	156.7	50.1	0	0	0	0	111.5
552	L	27.1	Very low	26.1	Very low	142 Å²	142	149.1 Å²	149.1	74%	0.743	77%	0.774	S	S	*	*			trans	-166.2	124.8	174.5	-98.4	162.8	0	0	0	107.2
553	L	27.1	Very low	26.1	Very low	132 Å²	132	148.7 Å²	148.7	69%	0.691	77%	0.77	S	S	*	*			cis	-121.8	150.6	-5.7	-71.8	79.6	0	0	0	109.7	N555	L553-N555 HydrophobicContact CD2-CB 4.35Å
554	N	23.3	Very low	26.2	Very low	173 Å²	173	150.9 Å²	150.9	93%	0.925	77%	0.771	S	S	*	*			trans	-96.2	112.9	149.5	-144.1	-5.3	0	0	0	106.3
555	N	28.1	Very low	26.4	Very low	134 Å²	134	147.7 Å²	147.7	72%	0.717	77%	0.771	S	S	*	*			trans	-149.2	143.9	172.3	-124.4	-14.1	0	0	0	111.1	L553	L553-N555 HydrophobicContact CD2-CB 4.35Å
556	T	23.2	Very low	26.5	Very low	124 Å²	124	147.8 Å²	147.8	76%	0.761	77%	0.77	S	S	*	*			trans	-80.5	164.5	-164.7	50.8	0	0	0	0	114
557	S	25	Very low	26.5	Very low	97 Å²	97	147.9 Å²	147.9	68%	0.678	77%	0.773	S	S	*	*			trans	113.5	126.2	142.3	-47.9	0	0	0	0	118.5
558	N	26.3	Very low	26.7	Very low	150 Å²	150	150.1 Å²	150.1	80%	0.802	78%	0.783	S	S	*	*			trans	86.3	141.7	143.7	-64.4	-19.3	0	0	0	122.9
559	S	29.3	Very low	26.8	Very low	98 Å²	98	145.9 Å²	145.9	69%	0.685	77%	0.771	S	S	*	*			trans	69.7	114.5	153.9	32.9	0	0	0	0	120.4
560	N	25.4	Very low	27.1	Very low	148 Å²	148	148.5 Å²	148.5	79%	0.791	78%	0.778	S	S	*	*				37.8	124.3	99.9	-54.5	-1.3	0	0	0	115.3
561	E	29.5	Very low	27.1	Very low	182 Å²	182	145.7 Å²	145.7	85%	0.85	77%	0.772	S	S	*	*			cis	-152.1	169.6	22	-95.9	160.6	135.6	0	0	108.3
562	V	30.9	Very low	27.5	Very low	136 Å²	136	145.6 Å²	145.6	82%	0.824	77%	0.771	S	S	*	*				-158.6	139.7	52.4	165.1	0	0	0	0	110.5
563	K	26.3	Very low	27.6	Very low	170 Å²	170	145.7 Å²	145.7	74%	0.739	77%	0.772	S	S	*	*			trans	-82.1	156.2	166	-68.2	172.3	171.3	170	0	109.5
564	R	29.2	Very low	27.5	Very low	209 Å²	209	146.6 Å²	146.6	79%	0.789	78%	0.777	S	S	*	*			cis	177.1	-166.1	43	-144.7	175.7	-55.7	-170.4	5.1	109.6
565	V	28.5	Very low	27.7	Very low	125 Å²	125	146.7 Å²	146.7	76%	0.758	77%	0.771	S	S	*	*			trans	96.9	114.7	159.7	-175	0	0	0	0	114.1
566	F	28.1	Very low	27.4	Very low	177 Å²	177	147.6 Å²	147.6	78%	0.776	78%	0.775	S	S	*	*			cis	-154.1	155.5	-12	-139.1	-91.6	0	0	0	109.8
567	D	24.6	Very low	27.7	Very low	133 Å²	133	148.5 Å²	148.5	71%	0.711	78%	0.776	S	S	*	*			trans	-74.1	148.5	178	-49.7	-93.9	0	0	0	113.2
568	Q	31.5	Very low	27.7	Very low	200 Å²	200	148.9 Å²	148.9	94%	0.935	78%	0.778	S	S	*	*			trans	-146.8	108.5	140.9	-121.1	176.1	23.7	0	0	111.8
569	N	26.4	Very low	27.9	Very low	127 Å²	127	146.1 Å²	146.1	68%	0.679	77%	0.77	S	S	*	*			trans	-68.4	141.3	169.3	-75.3	-47.4	0	0	0	110.6
570	N	29.5	Very low	27.8	Very low	143 Å²	143	149.8 Å²	149.8	77%	0.765	78%	0.776	S	S	*	*				-173.7	111.7	102.5	-94.2	-37.7	0	0	0	114.3
571	N	26.1	Very low	28	Very low	137 Å²	137	146.9 Å²	146.9	73%	0.733	77%	0.768	S	S	*	*			trans	16.7	119.8	135.1	-59.8	-28.8	0	0	0	119.4
572	S	31.9	Very low	27.9	Very low	120 Å²	120	145.9 Å²	145.9	84%	0.839	77%	0.768	S	S	*	*			trans	-142.9	81.2	134.1	48.7	0	0	0	0	111.7
573	N	29	Very low	27.7	Very low	144 Å²	144	145.1 Å²	145.1	77%	0.77	77%	0.767	S	S	*	*			trans	39.6	99	153.5	-58.5	-6.9	0	0	0	119.4
574	I	24.6	Very low	27.6	Very low	152 Å²	152	142.7 Å²	142.7	78%	0.779	77%	0.77	S	S	*	*			trans	-62	130.4	138.7	-66.9	168	0	0	0	107.6	L576	I574-L576 HydrophobicContact CG2-CB 4.38Å; I574-L576 HydrophobicContact CG2-CD1 4.12Å; I574-L576 HydrophobicContact CG2-CG 3.92Å
575	Q	27.8	Very low	27.3	Very low	174 Å²	174	141.4 Å²	141.4	81%	0.813	77%	0.77	S	S	*	*			trans	-120.4	78.8	165.8	-167.1	169.9	10.1	0	0	110.3
576	L	23.2	Very low	27.2	Very low	154 Å²	154	141.7 Å²	141.7	81%	0.806	77%	0.767	S	S	*	*			trans	-73.7	125.5	161.6	-80.3	165.1	0	0	0	108.4	I574	I574-L576 HydrophobicContact CG2-CB 4.38Å; I574-L576 HydrophobicContact CG2-CD1 4.12Å; I574-L576 HydrophobicContact CG2-CG 3.92Å
577	N	27.7	Very low	27.2	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	77%	0.773	S	S	*	*			trans	-133.5	123	154.2	-112.5	-11.6	0	0	0	109.4
578	S	26	Very low	27.1	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	78%	0.781	S	S	*	*			trans	-50	158.4	171.3	45.5	0	0	0	0	112.1
579	S	29.6	Very low	26.9	Very low	92 Å²	92	144.7 Å²	144.7	64%	0.643	78%	0.775	S	S	*	*				-176.3	165.9	64.3	43	0	0	0	0	113.5
580	H	28	Very low	27	Very low	175 Å²	175	142.7 Å²	142.7	81%	0.81	77%	0.771	S	S	*	*			trans	69	142	174.2	-61.1	-74.9	0	0	0	118.3
581	S	29.6	Very low	26.7	Very low	87 Å²	87	143.8 Å²	143.8	61%	0.608	78%	0.776	S	S	*	*				178.7	135.1	-56.1	45.9	0	0	0	0	109.3
582	L	27.6	Very low	26.8	Very low	162 Å²	162	142 Å²	142	85%	0.848	78%	0.775	S	S	*	*			trans	65.7	103.4	153.8	-67.2	165.1	0	0	0	119.8
583	C	25.5	Very low	26.6	Very low	119 Å²	119	143.6 Å²	143.6	80%	0.804	77%	0.774	S	S	*	*				81.4	147.4	113	-150.7	0	0	0	0	120
584	C	24.7	Very low	26.7	Very low	119 Å²	119	142.8 Å²	142.8	80%	0.804	78%	0.78	S	S	*	*			trans	-70.4	141	-177.5	-46.9	0	0	0	0	112.6
585	K	24.2	Very low	26.9	Very low	183 Å²	183	138.5 Å²	138.5	80%	0.796	77%	0.773	S	S	*	*			trans	-167.6	151.2	132.5	-110.6	177.2	173.8	-168.4	0	114
586	D	24.8	Very low	27	Very low	131 Å²	131	138.1 Å²	138.1	70%	0.701	78%	0.776	S	S	*	*			trans	44.5	106.8	146.2	-47.7	-26.5	0	0	0	119.4
587	L	29.3	Very low	27.3	Very low	170 Å²	170	136.5 Å²	136.5	89%	0.89	77%	0.772	S	S	*	*			trans	-130.2	93.4	156.3	-92.3	178.7	0	0	0	111.9
588	Y	22.2	Very low	27.4	Very low	228 Å²	228	136 Å²	136	89%	0.894	77%	0.774	S	S	*	*			trans	-153.3	81.2	155	-126.4	-76.9	0	0	0	110
589	H	28	Very low	27.5	Very low	175 Å²	175	136.8 Å²	136.8	81%	0.81	78%	0.777	S	S	*	*			trans	-165.1	121.5	151	-111.3	-63.1	0	0	0	114.7
590	S	26.7	Very low	27.5	Very low	85 Å²	85	137 Å²	137	59%	0.594	78%	0.784	S	S	*	*			trans	42.1	114.3	138.1	-55.2	0	0	0	0	122.6
591	L	24.2	Very low	27.4	Very low	165 Å²	165	135.1 Å²	135.1	86%	0.864	79%	0.785	S	S	*	*				42.2	123.8	115.8	-61.4	157.6	0	0	0	117.9
592	S	28	Very low	27.1	Very low	100 Å²	100	137 Å²	137	70%	0.699	79%	0.793	S	S	*	*				178.9	154.5	77.1	44.5	0	0	0	0	116.1
593	N	27.9	Very low	27	Very low	153 Å²	153	140.3 Å²	140.3	82%	0.818	79%	0.794	S	S	*	*			trans	79.2	142.6	148	-71.3	-15.2	0	0	0	125
594	S	32.2	Very low	26.9	Very low	128 Å²	128	142.4 Å²	142.4	90%	0.895	80%	0.796	S	S	*	*			trans	57.7	131.2	176.5	60.8	0	0	0	0	119.4
595	G	27.7	Very low	26.8	Very low	62 Å²	62	147.2 Å²	147.2	64%	0.639	80%	0.798	S	S	*	*			cis	174.2	167.9	-4.1	0	0	0	0	0	113.7
596	L	30	Very low	26.8	Very low	166 Å²	166	143.3 Å²	143.3	87%	0.869	79%	0.794	S	S	*	*			trans	69.2	100.8	-178.5	-67.1	105.5	0	0	0	115.5
597	T	30.3	Very low	26.9	Very low	119 Å²	119	143.9 Å²	143.9	73%	0.73	80%	0.796	S	S	*	*				73.7	130	79.5	58.4	0	0	0	0	114.4
598	T	30.1	Very low	26.8	Very low	133 Å²	133	146 Å²	146	82%	0.816	79%	0.794	S	S	*	*			cis	-145.1	162.5	10.7	5.4	0	0	0	0	111.1
599	P	27.1	Very low	27	Very low	121 Å²	121	142.4 Å²	142.4	79%	0.786	79%	0.785	S	S	*	*			trans	-100	154.7	-162.5	37.8	-35	0	0	0	116
600	A	28.9	Very low	27.1	Very low	95 Å²	95	140.7 Å²	140.7	79%	0.785	78%	0.78	S	S	*	*			trans	-110.2	138.9	154.1	0	0	0	0	0	109.3	V602	A600-V602 PolarHBondContact O-N 3.42Å
601	T	25.7	Very low	27.7	Very low	136 Å²	136	139.8 Å²	139.8	83%	0.834	77%	0.773	S	S	*	*			trans	-77.1	108.1	-165.6	51	0	0	0	0	114.1
602	V	25.1	Very low	28.7	Very low	128 Å²	128	138.4 Å²	138.4	78%	0.776	76%	0.762	S	S	*	*			trans	-79.1	115.2	159.9	177.9	0	0	0	0	109	A600 L604	A600-V602 PolarHBondContact O-N 3.42Å; V602-L604 HydrophobicContact CG1-CG 4.43Å; V602-L604 PolarHBondContact O-N 3.42Å; V602-L604 VanDerWaalsContact O-N 3.14Å
603	R	24.1	Very low	29.7	Very low	231 Å²	231	137.2 Å²	137.2	87%	0.872	75%	0.753	S	S	*	*			trans	-78.2	89	170.3	-78.8	-179.8	170.1	145.7	-4.5	110.2	R605	R603-R605 PolarHBondContact O-N 2.71Å; R603-R605 VanDerWaalsContact O-N 3.15Å
604	L	23.5	Very low	31	Very low	163 Å²	163	132.1 Å²	132.1	85%	0.853	73%	0.728	S	S	*	*			trans	-70.6	102.5	157.2	-74	173.9	0	0	0	108.3	V602 S606	V602-L604 HydrophobicContact CG1-CG 4.43Å; V602-L604 PolarHBondContact O-N 3.42Å; V602-L604 VanDerWaalsContact O-N 3.14Å; L604-S606 PolarHBondContact O-N 3.04Å
605	R	24.2	Very low	32.3	Very low	219 Å²	219	129.3 Å²	129.3	83%	0.826	71%	0.708	S	S	*	*			trans	-73.3	114	166.4	-92.2	-175.6	167.6	170.8	-5.2	108.5	R603 N607	R603-R605 PolarHBondContact O-N 2.71Å; R603-R605 VanDerWaalsContact O-N 3.15Å; R605-N607 PolarHBondContact O-N 3.18Å
606	S	24	Very low	33.4	Very low	102 Å²	102	126.8 Å²	126.8	71%	0.713	68%	0.681	S	S	*	*			trans	-71.2	91.4	167.4	55	0	0	0	0	110.2	L604	L604-S606 PolarHBondContact O-N 3.04Å
607	N	26	Very low	34.3	Very low	142 Å²	142	124 Å²	124	76%	0.759	66%	0.66	S	S	*	*			trans	-101.8	81.7	162.1	-78.6	23.1	0	0	0	108.1	R605 H609	R605-N607 PolarHBondContact O-N 3.18Å; N607-H609 PolarHBondContact O-N 3.1Å
608	Y	26.4	Very low	34.8	Very low	214 Å²	214	121.4 Å²	121.4	84%	0.839	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-66	123.3	158.7	-84.4	-85.6	0	0	0	107.3	I610	Y608-I610 PolarHBondContact O-N 3.46Å
609	H	27.7	Very low	35.1	Very low	154 Å²	154	117 Å²	117	71%	0.713	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-67.9	127	177.1	-131	-80.9	0	0	0	108.9	N607	N607-H609 PolarHBondContact O-N 3.1Å
610	I	29.2	Very low	35.2	Very low	138 Å²	138	117.3 Å²	117.3	71%	0.708	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-74.7	140	168.8	-60.3	172.7	0	0	0	106.3	Y608 E612	Y608-I610 PolarHBondContact O-N 3.46Å; I610-E612 PolarHBondContact O-N 2.88Å
611	P	38.7	Very low	35.2	Very low	67 Å²	67	117.8 Å²	117.8	44%	0.435	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-57.3	128.8	174.7	-22.7	33.1	0	0	0	109.9	S613 V721	P611-S613 PolarHBondContact O-N 3.46Å; P611-S613 VanDerWaalsContact O-N 3.09Å; P611-V721 HydrophobicContact CG-CG1 4.44Å
612	E	45.6	Very low	35.2	Very low	136 Å²	136	118.2 Å²	118.2	64%	0.636	61%	0.605	S	S	*	*			trans	-66.5	113.3	179	-63.2	-170.2	150.9	0	0	109.3	I610 V614	I610-E612 PolarHBondContact O-N 2.88Å; E612-V614 PolarHBondContact O-N 2.89Å
613	S	49.8	Very low	35.3	Very low	74 Å²	74	116.7 Å²	116.7	52%	0.517	60%	0.6	S	S	.	*			trans	-74.4	106.4	-178.9	51.8	0	0	0	0	109.8	P611	P611-S613 PolarHBondContact O-N 3.46Å; P611-S613 VanDerWaalsContact O-N 3.09Å
614	V	55.8	Low	35.5	Very low	46 Å²	46	115.6 Å²	115.6	28%	0.279	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.8	115.3	-174.8	-171.4	0	0	0	0	110.8	E612 V714 R723 E725	E612-V614 PolarHBondContact O-N 2.89Å; V614-V714 WeakPolarHBondContact CG1-O 3.32Å; V614-V714 WeakPolarHBondContact CG2-O 3.39Å; V614-R723 PolarHBondContact N-O 3.28Å; V614-R723 VanDerWaalsContact N-O 3.13Å; V614-E725 PolarHBondContact O-N 3.1Å
615	S	58.7	Low	35.6	Very low	69 Å²	69	116.5 Å²	116.5	48%	0.483	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.1	120.7	177.4	-164	0	0	0	0	111.5	Y617	S615-Y617 PolarHBondContact O-N 3.14Å; S615-Y617 VanDerWaalsContact O-N 3.12Å
616	A	51.8	Low	35.7	Very low	9 Å²	9	114.7 Å²	114.7	7%	0.074	60%	0.604	C	S	.	*			trans	-77.6	10.6	-173.4	0	0	0	0	0	115.1	A618 L619 V724 E725 L727	A616-A618 PolarHBondContact O-N 3.06Å; A616-L619 PolarHBondContact O-N 3.07Å; A616-V724 HydrophobicContact CB-CG1 4.06Å; A616-E725 WeakPolarHBondContact CB-O 3.39Å; A616-E725 PolarHBondContact N-O 3.23Å; A616-L727 HydrophobicContact CB-CD2 3.5Å; A616-L727 VanDerWaalsContact CB-CD2 3.5Å; A616-L727 HydrophobicContact CB-CG 4.11Å
617	Y	47	Very low	35.7	Very low	107 Å²	107	118.3 Å²	118.3	42%	0.42	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	33.9	174	-76.4	-73.5	0	0	0	114	S615 G799 I938	S615-Y617 PolarHBondContact O-N 3.14Å; S615-Y617 VanDerWaalsContact O-N 3.12Å; Y617-G799 PolarHBondContact OH-O 3.33Å; Y617-I938 HydrophobicContact CD1-CD1 3.89Å; Y617-I938 HydrophobicContact CE1-CD1 3.47Å; Y617-I938 VanDerWaalsContact CE1-CD1 3.47Å; Y617-I938 HydrophobicContact CE1-CG1 4.22Å
618	A	40.8	Very low	35.8	Very low	66 Å²	66	118.1 Å²	118.1	55%	0.545	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-118.7	4.3	174.7	0	0	0	0	0	113.2	A616 M620 K712	A616-A618 PolarHBondContact O-N 3.06Å; A618-M620 PolarHBondContact O-N 3.46Å; A618-M620 VanDerWaalsContact O-N 3.08Å; A618-K712 PolarHBondContact O-NZ 2.94Å
619	L	36.8	Very low	35.7	Very low	41 Å²	41	112.5 Å²	112.5	22%	0.215	61%	0.606	C	S	.	*			trans	-69.5	-3.6	-172.4	-89	163.9	0	0	0	116.5	A616 V703 N705 K712 Y733	A616-L619 PolarHBondContact O-N 3.07Å; L619-V703 HydrophobicContact CD2-CG1 4.41Å; L619-N705 HydrophobicContact CD1-CB 4.44Å; L619-K712 HydrophobicContact CD2-CD 4.22Å; L619-K712 HydrophobicContact CD2-CG 4.27Å; L619-Y733 HydrophobicContact CD1-CE1 3.74Å
620	M	29	Very low	35.8	Very low	127 Å²	127	113.2 Å²	113.2	63%	0.626	61%	0.607	S	S	*	*	S	Bend	trans	-111.8	147.6	172.7	-64.4	-143.9	-167.1	0	0	113.3	A618	A618-M620 PolarHBondContact O-N 3.46Å; A618-M620 VanDerWaalsContact O-N 3.08Å
621	T	30	Very low	35.6	Very low	104 Å²	104	112.9 Å²	112.9	64%	0.638	60%	0.602	S	S	*	*			trans	65.2	161.9	176.8	70.6	0	0	0	0	116.7	K712	T621-K712 PolarHBondContact O-NZ 3.42Å
622	N	25.6	Very low	35.1	Very low	146 Å²	146	114.9 Å²	114.9	78%	0.781	61%	0.606	S	S	*	*			trans	-160.7	149.9	170.2	-162	5.7	0	0	0	108.3
623	S	27.2	Very low	34.1	Very low	96 Å²	96	117.6 Å²	117.6	67%	0.671	61%	0.61	S	S	*	*			trans	56.9	104.2	166	-45	0	0	0	0	119.4
624	K	27.2	Very low	33.1	Very low	208 Å²	208	122.3 Å²	122.3	90%	0.904	62%	0.622	S	S	*	*				-175.9	146.2	95	-99.5	-171.7	175.5	-169.7	0	113
625	E	25.3	Very low	32	Very low	181 Å²	181	127.1 Å²	127.1	85%	0.846	64%	0.641	S	S	*	*			trans	-81.2	155.6	169.8	-59.8	153.2	127.4	0	0	111
626	M	27.8	Very low	30.5	Very low	181 Å²	181	130.8 Å²	130.8	89%	0.892	65%	0.65	S	S	*	*			trans	-158	113.3	154	-154.9	171.1	75.4	0	0	110.7
627	E	23.9	Very low	29.4	Very low	178 Å²	178	135.5 Å²	135.5	83%	0.832	68%	0.683	S	S	*	*			trans	-69	142.7	163.4	-60.4	-179.5	104.3	0	0	110.2
628	V	27	Very low	28.4	Very low	138 Å²	138	137.3 Å²	137.3	84%	0.836	70%	0.697	S	S	*	*			trans	-151.2	128.6	131	166.8	0	0	0	0	108.6
629	S	25.3	Very low	27.7	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	71%	0.705	S	S	*	*			trans	-61.6	160	178.6	-30.8	0	0	0	0	114.8
630	K	28.3	Very low	27.4	Very low	170 Å²	170	147.1 Å²	147.1	74%	0.739	73%	0.73	S	S	*	*				178.4	127.3	116	-97.8	171.3	173.6	-92.3	0	115.4
631	E	26.6	Very low	27.3	Very low	131 Å²	131	151.1 Å²	151.1	61%	0.612	74%	0.738	S	S	*	*				56.1	142.6	124.3	-61	-173.4	113.1	0	0	120.9
632	Q	27.2	Very low	27.1	Very low	109 Å²	109	151.7 Å²	151.7	51%	0.509	74%	0.737	S	S	.	*			cis	-168.8	152.1	6.4	-122.2	178.5	34.7	0	0	112.7
633	R	25.9	Very low	27.4	Very low	193 Å²	193	152.5 Å²	152.5	73%	0.728	74%	0.736	S	S	*	*			trans	67.2	152.3	154	-63.7	164.8	-178.1	159.8	4.5	117.4
634	F	28.6	Very low	27.5	Very low	172 Å²	172	155.3 Å²	155.3	75%	0.754	74%	0.738	S	S	*	*			cis	-131.2	175.6	16.2	-75.7	-93.5	0	0	0	111.6
635	H	32.4	Very low	27.7	Very low	147 Å²	147	153 Å²	153	68%	0.681	73%	0.73	S	S	*	*			cis	-146.1	-168.7	5.7	-130	-62.5	0	0	0	111.3
636	Q	26.3	Very low	28	Very low	146 Å²	146	151.4 Å²	151.4	68%	0.682	72%	0.723	S	S	*	*			trans	-78.7	175.4	-174.2	-65.7	136.6	-50.9	0	0	113.5
637	S	29.5	Very low	27.9	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	72%	0.716	S	S	*	*			cis	-158	136.4	36	-62.7	0	0	0	0	111.2
638	M	25.1	Very low	28.2	Very low	144 Å²	144	146.6 Å²	146.6	71%	0.709	72%	0.716	S	S	*	*				71.9	107.5	82.6	-79.8	-176.1	71.3	0	0	119
639	E	25.9	Very low	28	Very low	152 Å²	152	148.1 Å²	148.1	71%	0.71	72%	0.718	S	S	*	*			trans	89.7	149.3	134.2	-64	-172.4	143.2	0	0	125.6
640	H	31.4	Very low	28.2	Very low	161 Å²	161	148.7 Å²	148.7	75%	0.745	72%	0.722	S	S	*	*			trans	88.5	90.7	158	-76.1	-68	0	0	0	124.7
641	R	27.1	Very low	28.1	Very low	212 Å²	212	148.1 Å²	148.1	80%	0.8	73%	0.727	S	S	*	*				39.5	130.3	122	-82.6	-169.1	152.4	141.4	3.3	124.7
642	D	26.2	Very low	28	Very low	115 Å²	115	147.3 Å²	147.3	62%	0.615	74%	0.735	S	S	*	*				60.3	105.5	127.8	-49.5	-23	0	0	0	122.7
643	H	31.5	Very low	28.1	Very low	163 Å²	163	147.2 Å²	147.2	76%	0.755	75%	0.746	S	S	*	*				165.4	143.9	104.5	-93.1	-37.5	0	0	0	115.5
644	H	29.7	Very low	28.1	Very low	156 Å²	156	145.2 Å²	145.2	72%	0.722	75%	0.75	S	S	*	*			trans	41.7	138.4	145.3	-64.8	-56.9	0	0	0	121.6
645	Q	30.6	Very low	28	Very low	158 Å²	158	146.2 Å²	146.2	74%	0.738	76%	0.757	S	S	*	*			cis	-171	153.3	33	-129.8	176.2	8.6	0	0	114.1
646	H	30.9	Very low	27.5	Very low	149 Å²	149	144.3 Å²	144.3	69%	0.69	76%	0.759	S	S	*	*			trans	50.3	125.6	154	-74	-57.3	0	0	0	126.9
647	N	27.5	Very low	27.4	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	76%	0.762	S	S	*	*			trans	65.5	138.4	141.7	-56.5	7.8	0	0	0	118.8
648	S	29.1	Very low	27.1	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	77%	0.765	S	S	*	*			cis	-150.5	175.9	40.5	-58.1	0	0	0	0	114.9
649	L	23.6	Very low	27	Very low	170 Å²	170	143.3 Å²	143.3	89%	0.89	77%	0.77	S	S	*	*			trans	-62.2	142.4	-176	-53	111	0	0	0	115.6
650	S	28	Very low	27	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	77%	0.771	S	S	*	*				-172.4	137.3	123.6	57	0	0	0	0	113.9
651	L	27.9	Very low	26.6	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	77%	0.77	S	S	*	*			trans	28	119.1	161.1	-75.9	74.9	0	0	0	120.5
652	S	23.1	Very low	26.5	Very low	113 Å²	113	134.5 Å²	134.5	79%	0.79	77%	0.768	S	S	*	*			trans	-58.7	142.6	152.2	48.7	0	0	0	0	112.2
653	S	30.3	Very low	26.5	Very low	107 Å²	107	134.8 Å²	134.8	75%	0.748	77%	0.773	S	S	*	*			trans	-130.8	130.9	162.7	-68.4	0	0	0	0	108.5	Q655	S653-Q655 PolarHBondContact O-N 3.15Å
654	N	26.2	Very low	26.1	Very low	151 Å²	151	132.6 Å²	132.6	81%	0.807	77%	0.774	S	S	*	*			trans	-65.9	123.7	-173.3	-69	-11.5	0	0	0	110.9	C656	N654-C656 VanDerWaalsContact C-N 3.25Å; N654-C656 PolarHBondContact O-N 3.29Å
655	Q	24.8	Very low	25.8	Very low	193 Å²	193	133.9 Å²	133.9	90%	0.902	78%	0.78	S	S	*	*			trans	-77.7	78	169.4	-74.1	-174	-42.4	0	0	110.1	S653 A657	S653-Q655 PolarHBondContact O-N 3.15Å; Q655-A657 PolarHBondContact O-N 2.99Å
656	C	23.4	Very low	25.6	Very low	107 Å²	107	134.2 Å²	134.2	72%	0.723	79%	0.786	S	S	*	*			trans	-66.3	89.8	158.5	-67.9	0	0	0	0	108	N654 L658	N654-C656 VanDerWaalsContact C-N 3.25Å; N654-C656 PolarHBondContact O-N 3.29Å; C656-L658 VanDerWaalsContact C-N 3.25Å; C656-L658 PolarHBondContact O-N 3.1Å
657	A	23.2	Very low	25.2	Very low	90 Å²	90	134.9 Å²	134.9	74%	0.744	80%	0.795	S	S	*	*			trans	-71.1	80.8	177.5	0	0	0	0	0	110.1	Q655 T659	Q655-A657 PolarHBondContact O-N 2.99Å; A657-T659 PolarHBondContact O-N 3.34Å
658	L	23.8	Very low	25.1	Very low	156 Å²	156	132 Å²	132	82%	0.817	80%	0.798	S	S	*	*			trans	-63.3	106.8	169	-77.6	170.6	0	0	0	108.9	C656 V660	C656-L658 VanDerWaalsContact C-N 3.25Å; C656-L658 PolarHBondContact O-N 3.1Å; L658-V660 PolarHBondContact O-N 3.38Å
659	T	23.3	Very low	24.9	Very low	133 Å²	133	131.6 Å²	131.6	82%	0.816	80%	0.795	S	S	*	*			trans	-65.9	96.8	179.8	-36	0	0	0	0	109.8	A657 P661	A657-T659 PolarHBondContact O-N 3.34Å; T659-P661 WeakPolarHBondContact O-CD 3.17Å
660	V	24.9	Very low	24.9	Very low	121 Å²	121	133.8 Å²	133.8	73%	0.733	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-59	121.3	170.8	179.1	0	0	0	0	108	L658 S662	L658-V660 PolarHBondContact O-N 3.38Å; V660-S662 PolarHBondContact O-N 2.91Å
661	P	24.4	Very low	24.9	Very low	113 Å²	113	133.7 Å²	133.7	73%	0.734	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-60.4	131	173.4	-21.1	33.3	0	0	0	109.4	T659 T663	T659-P661 WeakPolarHBondContact O-CD 3.17Å; P661-T663 PolarHBondContact O-N 3.08Å; P661-T663 VanDerWaalsContact O-N 3.12Å
662	S	24.8	Very low	24.7	Very low	106 Å²	106	130.3 Å²	130.3	74%	0.741	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-56	116.3	-174.1	31.1	0	0	0	0	111.8	V660 P664	V660-S662 PolarHBondContact O-N 2.91Å; S662-P664 WeakPolarHBondContact O-CD 3.43Å
663	T	25.5	Very low	24.9	Very low	120 Å²	120	131.6 Å²	131.6	74%	0.736	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-63.3	122.7	170.3	48.4	0	0	0	0	109.2	P661 E665	P661-T663 PolarHBondContact O-N 3.08Å; P661-T663 VanDerWaalsContact O-N 3.12Å; T663-E665 PolarHBondContact O-N 3.46Å
664	P	23.7	Very low	24.7	Very low	117 Å²	117	131.5 Å²	131.5	76%	0.76	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-69.8	124.2	-179.8	27.7	-33.6	0	0	0	110.5	S662 L666	S662-P664 WeakPolarHBondContact O-CD 3.43Å; P664-L666 PolarHBondContact O-N 2.87Å
665	E	23.1	Very low	24.5	Very low	183 Å²	183	132.2 Å²	132.2	86%	0.855	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-64.1	124.8	176.3	-61.9	-173.2	147.6	0	0	111.1	T663	T663-E665 PolarHBondContact O-N 3.46Å
666	L	25.6	Very low	24.6	Very low	166 Å²	166	129.1 Å²	129.1	87%	0.869	76%	0.759	S	S	*	*			trans	-134.2	120.1	169.3	-79.2	175.9	0	0	0	111	P664	P664-L666 PolarHBondContact O-N 2.87Å
667	N	23.3	Very low	24.8	Very low	163 Å²	163	133.4 Å²	133.4	87%	0.872	77%	0.766	S	S	*	*			trans	-83.6	128.2	-176.1	-76.9	-65.2	0	0	0	112.7
668	G	24.7	Very low	24.9	Very low	79 Å²	79	134.4 Å²	134.4	81%	0.814	77%	0.767	S	S	*	*			trans	78.9	128.1	160.2	0	0	0	0	0	116
669	S	24.9	Very low	25.1	Very low	108 Å²	108	131 Å²	131	76%	0.755	75%	0.749	S	S	*	*			cis	-157.3	137.4	-1.7	55.4	0	0	0	0	111.4
670	Y	24.8	Very low	25.3	Very low	217 Å²	217	130.5 Å²	130.5	85%	0.851	75%	0.746	S	S	*	*			trans	4.1	111.7	169.4	-53.8	-79.9	0	0	0	119.5	V672	Y670-V672 HydrophobicContact CD1-CG2 4.34Å
671	S	26.8	Very low	25.5	Very low	106 Å²	106	129.5 Å²	129.5	74%	0.741	74%	0.735	S	S	*	*			trans	-128.1	89.4	143.1	60.5	0	0	0	0	108.7
672	V	24.1	Very low	25.7	Very low	87 Å²	87	129.9 Å²	129.9	53%	0.527	73%	0.731	S	S	.	*			trans	-100.7	120.4	178.9	176.1	0	0	0	0	109	Y670	Y670-V672 HydrophobicContact CD1-CG2 4.34Å
673	N	26.5	Very low	26.1	Very low	140 Å²	140	130.3 Å²	130.3	75%	0.749	73%	0.734	S	S	*	*			trans	59.6	95	169.4	-56.3	-15.8	0	0	0	117
674	T	26	Very low	26.4	Very low	105 Å²	105	131 Å²	131	64%	0.644	73%	0.733	S	S	*	*			trans	-95.4	128	154.2	-55.2	0	0	0	0	109.1	H676	T674-H676 PolarHBondContact O-N 3.12Å; T674-H676 VanDerWaalsContact O-N 3.15Å
675	L	23.6	Very low	26.9	Very low	166 Å²	166	128.7 Å²	128.7	87%	0.869	71%	0.714	S	S	*	*			trans	-67.6	109.2	173.2	-93.9	67.9	0	0	0	110.1
676	H	25.8	Very low	27.4	Very low	129 Å²	129	129.9 Å²	129.9	60%	0.597	71%	0.71	S	S	*	*			trans	-93.3	150	159.9	-96.5	-124.7	0	0	0	111.1	T674	T674-H676 PolarHBondContact O-N 3.12Å; T674-H676 VanDerWaalsContact O-N 3.15Å
677	K	28.2	Very low	27.8	Very low	197 Å²	197	128.4 Å²	128.4	86%	0.857	70%	0.703	S	S	*	*			trans	-58.7	140.4	176.4	-73.6	175.3	179.1	170	0	109.5	I679	K677-I679 PolarHBondContact O-N 2.81Å
678	S	24.4	Very low	28.1	Very low	110 Å²	110	124.9 Å²	124.9	77%	0.769	68%	0.683	S	S	*	*			trans	-58.1	102	170.9	52.7	0	0	0	0	110	T680	S678-T680 PolarHBondContact O-N 3.11Å; S678-T680 VanDerWaalsContact O-N 3.15Å
679	I	29.6	Very low	28.8	Very low	86 Å²	86	125 Å²	125	44%	0.441	67%	0.672	S	S	.	*			trans	-67.8	109.1	164.6	-65.4	176.8	0	0	0	105.9	L517 K677 I681	L517-I679 HydrophobicContact CD1-CD1 4.33Å; K677-I679 PolarHBondContact O-N 2.81Å; I679-I681 VanDerWaalsContact C-N 3.32Å; I679-I681 PolarHBondContact O-N 2.94Å
680	T	27	Very low	29.6	Very low	121 Å²	121	121.2 Å²	121.2	74%	0.742	64%	0.644	S	S	*	*			trans	-66.9	95	170.9	-52.3	0	0	0	0	108	S678 N682	S678-T680 PolarHBondContact O-N 3.11Å; S678-T680 VanDerWaalsContact O-N 3.15Å; T680-N682 PolarHBondContact O-N 2.87Å
681	I	28.5	Very low	30.2	Very low	101 Å²	101	115.7 Å²	115.7	52%	0.518	63%	0.628	S	S	.	*			trans	-58.6	126.5	166.1	-57.5	174.8	0	0	0	106.4	I679 S683 I685	I679-I681 VanDerWaalsContact C-N 3.32Å; I679-I681 PolarHBondContact O-N 2.94Å; I681-S683 PolarHBondContact O-N 3.36Å; I681-I685 HydrophobicContact CG2-CD1 3.98Å
682	N	29.4	Very low	31.2	Very low	120 Å²	120	111.6 Å²	111.6	64%	0.642	60%	0.597	S	S	*	*			trans	-56.9	129.9	175.7	-86.9	-5.7	0	0	0	109.1	T680 D684 I685	T680-N682 PolarHBondContact O-N 2.87Å; N682-D684 PolarHBondContact O-N 3.22Å; N682-I685 PolarHBondContact O-N 2.84Å
683	S	32.1	Very low	32.4	Very low	115 Å²	115	111 Å²	111	80%	0.804	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	2.5	-173.4	47.8	0	0	0	0	115.3	I681	I681-S683 PolarHBondContact O-N 3.36Å
684	D	31.3	Very low	33.5	Very low	135 Å²	135	106.9 Å²	106.9	72%	0.722	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-15.3	-177.7	-52.1	-44.7	0	0	0	112.8	N682 R686	N682-D684 PolarHBondContact O-N 3.22Å; D684-R686 VanDerWaalsContact C-N 3.3Å; D684-R686 PolarHBondContact O-N 3.26Å
685	I	35.4	Very low	35.1	Very low	69 Å²	69	104.5 Å²	104.5	35%	0.354	56%	0.563	S	S	.	*	S	Bend	trans	-71.9	91.3	166.6	-55.2	-178.6	0	0	0	107.7	L526 I681 N682 L687	L526-I685 HydrophobicContact CD1-CD1 4.17Å; L526-I685 HydrophobicContact CD2-CD1 3.9Å; I681-I685 HydrophobicContact CG2-CD1 3.98Å; N682-I685 PolarHBondContact O-N 2.84Å; I685-L687 PolarHBondContact O-N 2.75Å
686	R	33.4	Very low	37.4	Very low	207 Å²	207	101 Å²	101	78%	0.781	55%	0.545	S	S	*	.			trans	-60	111.8	167.9	-78.8	-176.2	169.8	177.7	-3.3	108.8	D684 L688	D684-R686 VanDerWaalsContact C-N 3.3Å; D684-R686 PolarHBondContact O-N 3.26Å; R686-L688 HydrophobicContact CB-CD1 4.11Å; R686-L688 HydrophobicContact CB-CG 4.15Å; R686-L688 PolarHBondContact O-N 2.95Å
687	L	33.1	Very low	40.1	Very low	135 Å²	135	95.4 Å²	95.4	71%	0.707	52%	0.519	S	S	*	.			trans	-65.9	67.7	161.1	-81.8	160.8	0	0	0	109.9	I685 S689	I685-L687 PolarHBondContact O-N 2.75Å; L687-S689 PolarHBondContact O-N 3.32Å
688	L	31.5	Very low	43.1	Very low	89 Å²	89	90 Å²	90	47%	0.466	50%	0.497	S	S	.	.			trans	-78.5	102.8	162.3	-78.8	160.5	0	0	0	106.4	R686 T690 Y720	R686-L688 HydrophobicContact CB-CD1 4.11Å; R686-L688 HydrophobicContact CB-CG 4.15Å; R686-L688 PolarHBondContact O-N 2.95Å; L688-T690 VanDerWaalsContact C-N 3.27Å; L688-T690 HydrophobicContact CB-CG2 4.27Å; L688-T690 PolarHBondContact O-N 3.5Å; L688-Y720 PolarHBondContact O-OH 2.98Å
689	S	37.5	Very low	46.4	Very low	83 Å²	83	84.7 Å²	84.7	58%	0.58	46%	0.46	S	S	*	.			trans	-59.8	96.3	157.4	52.7	0	0	0	0	107.3	L687 M691	L687-S689 PolarHBondContact O-N 3.32Å; S689-M691 PolarHBondContact O-N 3.07Å
690	T	42.8	Very low	49.5	Very low	28 Å²	28	82.4 Å²	82.4	17%	0.172	45%	0.447	C	S	.	.			trans	-73.7	77.6	-176	44.9	0	0	0	0	109.9	N531 L688 N692 I697 Y720	N531-T690 VanDerWaalsContact OD1-CG2 3.3Å; N531-T690 WeakPolarHBondContact OD1-CG2 3.48Å; L688-T690 VanDerWaalsContact C-N 3.27Å; L688-T690 HydrophobicContact CB-CG2 4.27Å; L688-T690 PolarHBondContact O-N 3.5Å; T690-N692 PolarHBondContact O-N 2.72Å; T690-N692 VanDerWaalsContact O-N 3.11Å; T690-I697 WeakPolarHBondContact O-CD1 3.22Å; T690-I697 WeakPolarHBondContact O-CG1 3.4Å; T690-Y720 PolarHBondContact OG1-OH 3.5Å
691	M	37.9	Very low	52.8	Low	101 Å²	101	76.6 Å²	76.6	50%	0.498	41%	0.412	S	S	.	.			trans	-65.9	112.3	177.9	-54.4	-160.7	88.3	0	0	109.2	S689 N693 G694 E695	S689-M691 PolarHBondContact O-N 3.07Å; M691-N693 PolarHBondContact O-N 2.93Å; M691-G694 WeakPolarHBondContact CE-O 3.44Å; M691-E695 VanDerWaalsContact CA-O 3.26Å; M691-E695 WeakPolarHBondContact CA-O 3.35Å
692	N	47.4	Very low	55.9	Low	19 Å²	19	72.6 Å²	72.6	10%	0.102	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-81.6	107	171.9	-150.8	21.9	0	0	0	107.1	Y504 T690 G694 E695 I697	Y504-N692 PolarHBondContact O-ND2 2.68Å; T690-N692 PolarHBondContact O-N 2.72Å; T690-N692 VanDerWaalsContact O-N 3.11Å; N692-G694 PolarHBondContact O-N 2.88Å; N692-E695 PolarHBondContact N-O 2.95Å; N692-E695 PolarHBondContact O-N 2.83Å; N692-I697 HydrophobicContact CB-CD1 4.41Å
693	N	48.9	Very low	59.1	Low	76 Å²	76	66.9 Å²	66.9	41%	0.406	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	21.9	-175.8	-59.2	-10.6	0	0	0	116.1	N501 E502 I503 M691	N501-N693 HydrophobicContact CB-CB 4.34Å; E502-N693 VanDerWaalsContact C-ND2 3.27Å; E502-N693 PolarHBondContact O-ND2 2.96Å; I503-N693 WeakPolarHBondContact CA-ND2 3.45Å; M691-N693 PolarHBondContact O-N 2.93Å
694	G	50.1	Low	61.9	Low	53 Å²	53	61.5 Å²	61.5	55%	0.546	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.9	-2	-179.4	0	0	0	0	0	115.5	M691 N692	M691-G694 WeakPolarHBondContact CE-O 3.44Å; N692-G694 PolarHBondContact O-N 2.88Å
695	E	59.6	Low	64.4	Low	54 Å²	54	57.2 Å²	57.2	25%	0.252	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-85.1	145.1	168.7	-69.7	-155.7	119.4	0	0	112.4	M691 N692 I697 N741 G742	M691-E695 VanDerWaalsContact CA-O 3.26Å; M691-E695 WeakPolarHBondContact CA-O 3.35Å; N692-E695 PolarHBondContact N-O 2.95Å; N692-E695 PolarHBondContact O-N 2.83Å; E695-I697 PolarHBondContact O-N 2.83Å; E695-N741 HydrophobicContact CB-CB 4.29Å; E695-N741 WeakPolarHBondContact OE2-CB 3.24Å; E695-N741 PolarHBondContact OE2-ND2 2.63Å; E695-G742 VanDerWaalsContact OE1-CA 3.23Å; E695-G742 WeakPolarHBondContact OE1-CA 3.43Å; E695-G742 PolarHBondContact OE1-N 2.87Å; E695-G742 PolarHBondContact OE2-N 2.88Å
696	L	71.2	Confident	66.6	Low	93 Å²	93	55.7 Å²	55.7	49%	0.487	30%	0.301	S	S	.	.			trans	-80.4	113.5	174.8	-164.4	96.2	0	0	0	110.1	Q698 P718	L696-Q698 PolarHBondContact O-N 2.8Å; L696-P718 HydrophobicContact CD2-CB 4.09Å; L696-P718 HydrophobicContact CD2-CG 4.45Å
697	I	83.2	Confident	68.7	Low	12 Å²	12	53.4 Å²	53.4	6%	0.062	29%	0.293	C	S	.	.			trans	-67	129.3	171.4	-63.1	-178.3	0	0	0	109.4	P506 T690 N692 E695 F699	P506-I697 HydrophobicContact CB-CD1 4.23Å; P506-I697 HydrophobicContact CB-CG1 4.46Å; T690-I697 WeakPolarHBondContact O-CD1 3.22Å; T690-I697 WeakPolarHBondContact O-CG1 3.4Å; N692-I697 HydrophobicContact CB-CD1 4.41Å; E695-I697 PolarHBondContact O-N 2.83Å; I697-F699 HydrophobicContact CG2-CD1 4.48Å; I697-F699 HydrophobicContact CG2-CE1 3.94Å; I697-F699 HydrophobicContact CG2-CZ 4Å
698	Q	90.6	Very high	70.5	Confident	82 Å²	82	48.4 Å²	48.4	38%	0.383	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	154.5	163.6	-64.1	-175.3	-0.3	0	0	110	L696 S739 T740	L696-Q698 PolarHBondContact O-N 2.8Å; Q698-S739 CarbonylContact O-C 3.56Å; Q698-S739 VanDerWaalsContact O-CA 3.32Å; Q698-S739 WeakPolarHBondContact O-CA 3.42Å; Q698-T740 PolarHBondContact N-O 2.58Å; Q698-T740 PolarHBondContact O-N 2.74Å; Q698-T740 PolarHBondContact O-OG1 2.77Å
699	F	93.8	Very high	72.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.9	172.6	-58.5	-69	0	0	0	110.5	P509 W527 T529 I697 Y715 T716 G717 E719 Y720 I737 R738	P509-F699 HydrophobicContact CB-CD1 4.11Å; P509-F699 HydrophobicContact CB-CE1 4.06Å; P509-F699 HydrophobicContact CG-CD1 4.09Å; P509-F699 HydrophobicContact CG-CE1 4.4Å; W527-F699 HydrophobicContact CZ2-CB 4.22Å; W527-F699 AromaticContact NE1-CD1 3.85Å; W527-F699 AromaticContact NE1-CD2 3.39Å; W527-F699 AromaticContact NE1-CE2 3.87Å; W527-F699 AromaticContact NE1-CG 3.37Å; T529-F699 HydrophobicContact CG2-CE1 3.43Å; T529-F699 VanDerWaalsContact CG2-CE1 3.43Å; T529-F699 HydrophobicContact CG2-CZ 3.6Å; I697-F699 HydrophobicContact CG2-CD1 4.48Å; I697-F699 HydrophobicContact CG2-CE1 3.94Å; I697-F699 HydrophobicContact CG2-CZ 4Å; F699-Y715 HydrophobicContact CB-CE1 4.49Å; F699-T716 VanDerWaalsContact O-CA 3.23Å; F699-T716 WeakPolarHBondContact O-CA 3.47Å; F699-G717 PolarHBondContact N-O 2.96Å; F699-G717 PolarHBondContact O-N 3.02Å; F699-E719 WeakPolarHBondContact CD2-O 3.46Å; F699-Y720 HydrophobicContact CE2-CD1 4.01Å; F699-Y720 HydrophobicContact CE2-CD2 4.27Å; F699-Y720 AromaticContact CE2-CE1 3.74Å; F699-Y720 HydrophobicContact CE2-CE1 3.74Å; F699-Y720 AromaticContact CE2-CE2 3.99Å; F699-Y720 HydrophobicContact CE2-CE2 3.99Å; F699-Y720 HydrophobicContact CE2-CG 4.27Å; F699-Y720 AromaticContact CE2-CZ 3.72Å; F699-Y720 HydrophobicContact CZ-CD1 4.09Å; F699-Y720 AromaticContact CZ-CE1 3.52Å; F699-Y720 HydrophobicContact CZ-CE1 3.52Å; F699-Y720 HydrophobicContact CZ-CE2 4.46Å; F699-Y720 AromaticContact CZ-CZ 3.73Å; F699-I737 HydrophobicContact CB-CD1 4.05Å; F699-I737 HydrophobicContact CB-CG1 4.41Å; F699-R738 CarbonylContact C-O 3.56Å; F699-R738 WeakPolarHBondContact CA-O 3.32Å
700	Q	94.8	Very high	74.8	Confident	37 Å²	37	46.8 Å²	46.8	17%	0.173	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	108.4	173.4	-179.6	162.6	79.7	0	0	109.9	V713 Y715 T716 I737 R738	Q700-V713 HydrophobicContact CG-CG1 3.98Å; Q700-V713 HydrophobicContact CG-CG2 3.91Å; Q700-Y715 WeakPolarHBondContact CA-O 3.41Å; Q700-T716 PolarHBondContact NE2-OG1 3.08Å; Q700-I737 WeakPolarHBondContact O-CA 3.3Å; Q700-I737 WeakPolarHBondContact O-CG1 3.36Å; Q700-R738 HydrophobicContact CB-CG 4.13Å; Q700-R738 PolarHBondContact N-O 3.04Å; Q700-R738 PolarHBondContact O-N 3.33Å; Q700-R738 VanDerWaalsContact O-N 3.07Å
701	L	96	Very high	77	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.5	178.5	173.9	72	0	0	0	109.6	L525 W527 V713 V714 Y715 C722 V724 F735 I737	L525-L701 HydrophobicContact CD1-CD1 4.48Å; L525-L701 HydrophobicContact CD1-CD2 4.08Å; W527-L701 HydrophobicContact CH2-CB 4.45Å; W527-L701 HydrophobicContact CH2-CD2 4.21Å; W527-L701 HydrophobicContact CZ3-CD1 4.49Å; W527-L701 HydrophobicContact CZ3-CD2 4.03Å; L701-V713 WeakPolarHBondContact O-CA 3.43Å; L701-V714 HydrophobicContact CD2-CG2 3.96Å; L701-V714 HydrophobicContact CG-CG2 3.92Å; L701-V714 PolarHBondContact O-N 3.11Å; L701-Y715 HydrophobicContact CB-CD1 4.46Å; L701-Y715 PolarHBondContact N-O 3.09Å; L701-Y715 VanDerWaalsContact N-O 3.09Å; L701-Y715 PolarHBondContact O-N 2.96Å; L701-C722 HydrophobicContact CD2-CB 3.99Å; L701-V724 HydrophobicContact CD2-CG2 4.18Å; L701-F735 HydrophobicContact CD1-CD1 4.36Å; L701-I737 HydrophobicContact CB-CD1 4.12Å; L701-I737 HydrophobicContact CB-CG1 4.26Å; L701-I737 HydrophobicContact CD1-CB 4.05Å; L701-I737 HydrophobicContact CD1-CD1 4.35Å
702	E	95.1	Very high	79.5	Confident	17 Å²	17	44.7 Å²	44.7	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.8	176.3	-54.2	-169.2	137.2	0	0	112.8	F711 K712 V713 F735 R736 Y748	E702-F711 HydrophobicContact CB-CB 4.03Å; E702-F711 HydrophobicContact CB-CD1 4.13Å; E702-F711 WeakPolarHBondContact OE2-CB 3.23Å; E702-K712 CarbonylContact C-O 3.57Å; E702-K712 WeakPolarHBondContact CA-O 3.39Å; E702-V713 HydrophobicContact CG-CG2 4.03Å; E702-F735 WeakPolarHBondContact O-CA 3.42Å; E702-R736 HydrophobicContact CB-CG 4.14Å; E702-R736 PolarHBondContact N-O 3.39Å; E702-R736 PolarHBondContact O-N 3.09Å; E702-R736 IonicContact OE2-CZ 3.2Å; E702-R736 IonicContact OE2-NE 3.47Å; E702-R736 PolarHBondContact OE2-NE 3.28Å; E702-R736 IonicContact OE2-NH2 2.8Å; E702-R736 PolarHBondContact OE2-NH2 3.16Å; E702-Y748 VanDerWaalsContact CD-OH 3.23Å; E702-Y748 HydrophobicContact CG-CE1 4.07Å; E702-Y748 PolarHBondContact OE1-OH 3.11Å; E702-Y748 PolarHBondContact OE2-OH 3.49Å
703	V	94.6	Very high	81.7	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143	177.3	73.4	0	0	0	0	112.9	L619 F711 K712 V714 Y733 R734 F735	L619-V703 HydrophobicContact CD2-CG1 4.41Å; V703-F711 WeakPolarHBondContact O-CA 3.36Å; V703-K712 PolarHBondContact N-O 3.43Å; V703-K712 PolarHBondContact O-N 3.17Å; V703-V714 HydrophobicContact CB-CG2 4.39Å; V703-V714 HydrophobicContact CG1-CG1 3.55Å; V703-V714 HydrophobicContact CG1-CG2 4.22Å; V703-Y733 HydrophobicContact CG2-CD1 3.72Å; V703-Y733 HydrophobicContact CG2-CG 4.28Å; V703-R734 CarbonylContact C-O 3.52Å; V703-R734 VanDerWaalsContact CA-O 3.31Å; V703-R734 WeakPolarHBondContact CA-O 3.3Å; V703-F735 HydrophobicContact CB-CD1 3.75Å; V703-F735 HydrophobicContact CB-CE1 3.68Å; V703-F735 HydrophobicContact CB-CZ 4.49Å; V703-F735 HydrophobicContact CG2-CD1 3.59Å; V703-F735 HydrophobicContact CG2-CD2 4.45Å; V703-F735 HydrophobicContact CG2-CE1 3.3Å; V703-F735 HydrophobicContact CG2-CE2 4.21Å; V703-F735 HydrophobicContact CG2-CG 4.18Å; V703-F735 HydrophobicContact CG2-CZ 3.64Å
704	D	91.2	Very high	83.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.2	163.4	164.1	48.3	0	0	0	109.7	G706 G709 F711 Y733 R734	D704-G706 PolarHBondContact O-N 2.93Å; D704-G706 VanDerWaalsContact O-N 3.1Å; D704-G709 WeakPolarHBondContact OD1-CA 3.12Å; D704-G709 PolarHBondContact OD1-N 3.41Å; D704-F711 HydrophobicContact CB-CD1 3.99Å; D704-F711 HydrophobicContact CB-CD2 4.23Å; D704-F711 HydrophobicContact CB-CE1 4.04Å; D704-F711 HydrophobicContact CB-CE2 4.27Å; D704-F711 HydrophobicContact CB-CG 4.09Å; D704-F711 HydrophobicContact CB-CZ 4.17Å; D704-Y733 WeakPolarHBondContact O-CA 3.17Å; D704-R734 HydrophobicContact CB-CB 4.3Å; D704-R734 PolarHBondContact N-O 2.73Å; D704-R734 PolarHBondContact O-N 3.28Å; D704-R734 IonicContact OD2-CZ 2.81Å; D704-R734 IonicContact OD2-NE 2.77Å; D704-R734 PolarHBondContact OD2-NE 2.91Å; D704-R734 IonicContact OD2-NH2 2.79Å; D704-R734 PolarHBondContact OD2-NH2 3.49Å
705	N	85.5	Confident	85.9	Confident	44 Å²	44	43.2 Å²	43.2	24%	0.235	24%	0.238	C	C	.	.			trans	-80.3	17	-174.2	72.7	5.5	0	0	0	114.7	L619 R707 T732 Y733	L619-N705 HydrophobicContact CD1-CB 4.44Å; N705-R707 PolarHBondContact O-N 3.39Å; N705-R707 VanDerWaalsContact OD1-CB 3.28Å; N705-R707 WeakPolarHBondContact OD1-CB 3.41Å; N705-R707 PolarHBondContact OD1-N 3.07Å; N705-T732 CarbonylContact C-O 3.44Å; N705-Y733 HydrophobicContact CB-CD1 4.38Å; N705-Y733 HydrophobicContact CB-CE1 3.96Å
706	G	80.6	Confident	87.5	Confident	37 Å²	37	43.9 Å²	43.9	38%	0.381	25%	0.246	S	C	.	.	S	Bend	trans	69.9	-9.5	-178.6	0	0	0	0	0	115.4	D704 G708 T732	D704-G706 PolarHBondContact O-N 2.93Å; D704-G706 VanDerWaalsContact O-N 3.1Å; G706-G708 VanDerWaalsContact C-N 3.25Å; G706-G708 PolarHBondContact O-N 2.85Å; G706-T732 WeakPolarHBondContact CA-O 3.13Å; G706-T732 PolarHBondContact N-O 3.29Å
707	R	78.3	Confident	88.4	Confident	160 Å²	160	39.8 Å²	39.8	60%	0.604	23%	0.226	S	C	*	.	S	Bend	trans	-83.1	-4.1	176.2	-50.5	-174.6	-173	-122.7	13.5	112	N705 E802	N705-R707 PolarHBondContact O-N 3.39Å; N705-R707 VanDerWaalsContact OD1-CB 3.28Å; N705-R707 WeakPolarHBondContact OD1-CB 3.41Å; N705-R707 PolarHBondContact OD1-N 3.07Å; R707-E802 IonicContact CZ-OE2 3.04Å; R707-E802 IonicContact NH2-OE1 2.74Å; R707-E802 IonicContact NH2-OE2 3.96Å; R707-E802 PolarHBondContact NH2-OE2 3.5Å
708	G	71	Confident	88.7	Confident	30 Å²	30	41.8 Å²	41.8	31%	0.309	24%	0.24	S	C	.	.	S	Bend	trans	85.6	47.9	179.3	0	0	0	0	0	112.8	G706	G706-G708 VanDerWaalsContact C-N 3.25Å; G706-G708 PolarHBondContact O-N 2.85Å
709	G	75.5	Confident	88.6	Confident	31 Å²	31	41.8 Å²	41.8	32%	0.32	24%	0.24	S	C	.	.			trans	-89.6	-177.9	169.9	0	0	0	0	0	112.6	D704	D704-G709 WeakPolarHBondContact OD1-CA 3.12Å; D704-G709 PolarHBondContact OD1-N 3.41Å
710	P	82.1	Confident	88.4	Confident	106 Å²	106	43 Å²	43	69%	0.688	25%	0.245	S	C	*	.			trans	-67.5	136	165.8	30.4	-33.2	0	0	0	109.7
711	F	90.6	Very high	88.3	Confident	36 Å²	36	42.3 Å²	42.3	16%	0.158	24%	0.243	C	C	.	.			trans	-57.5	142.1	166.2	-78.7	-93.3	0	0	0	110.3	E702 V703 D704 R734 R736 I751	E702-F711 HydrophobicContact CB-CB 4.03Å; E702-F711 HydrophobicContact CB-CD1 4.13Å; E702-F711 WeakPolarHBondContact OE2-CB 3.23Å; V703-F711 WeakPolarHBondContact O-CA 3.36Å; D704-F711 HydrophobicContact CB-CD1 3.99Å; D704-F711 HydrophobicContact CB-CD2 4.23Å; D704-F711 HydrophobicContact CB-CE1 4.04Å; D704-F711 HydrophobicContact CB-CE2 4.27Å; D704-F711 HydrophobicContact CB-CG 4.09Å; D704-F711 HydrophobicContact CB-CZ 4.17Å; F711-R734 HydrophobicContact CE1-CB 4.1Å; F711-R734 WeakPolarHBondContact CE1-O 3.47Å; F711-R734 HydrophobicContact CZ-CB 3.99Å; F711-R736 HydrophobicContact CD1-CG 3.75Å; F711-R736 HydrophobicContact CE1-CB 4.28Å; F711-R736 HydrophobicContact CE1-CG 3.75Å; F711-R736 HydrophobicContact CG-CG 4.4Å; F711-R736 HydrophobicContact CZ-CG 4.4Å; F711-I751 HydrophobicContact CE2-CD1 4.18Å; F711-I751 HydrophobicContact CZ-CD1 3.88Å; F711-I751 HydrophobicContact CZ-CG1 4.08Å; F711-I751 HydrophobicContact CZ-CG2 4.09Å
712	K	89.7	Confident	88.2	Confident	50 Å²	50	42.4 Å²	42.4	22%	0.217	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.5	175.1	-66	-155.5	177.6	-156.7	0	110.7	A618 L619 T621 E702 V703 V714	A618-K712 PolarHBondContact O-NZ 2.94Å; L619-K712 HydrophobicContact CD2-CD 4.22Å; L619-K712 HydrophobicContact CD2-CG 4.27Å; T621-K712 PolarHBondContact O-NZ 3.42Å; E702-K712 CarbonylContact C-O 3.57Å; E702-K712 WeakPolarHBondContact CA-O 3.39Å; V703-K712 PolarHBondContact N-O 3.43Å; V703-K712 PolarHBondContact O-N 3.17Å; K712-V714 PolarHBondContact O-N 2.85Å
713	V	93.2	Very high	88.1	Confident	68 Å²	68	43.2 Å²	43.2	41%	0.412	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	127.7	168	-179.1	0	0	0	0	109.6	Q700 L701 E702 T716	Q700-V713 HydrophobicContact CG-CG1 3.98Å; Q700-V713 HydrophobicContact CG-CG2 3.91Å; L701-V713 WeakPolarHBondContact O-CA 3.43Å; E702-V713 HydrophobicContact CG-CG2 4.03Å; V713-T716 WeakPolarHBondContact CG1-OG1 3.45Å
714	V	92.5	Very high	88	Confident	21 Å²	21	43.2 Å²	43.2	13%	0.127	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-12.4	173.3	-74.2	0	0	0	0	112.9	V614 L701 V703 K712 V724	V614-V714 WeakPolarHBondContact CG1-O 3.32Å; V614-V714 WeakPolarHBondContact CG2-O 3.39Å; L701-V714 HydrophobicContact CD2-CG2 3.96Å; L701-V714 HydrophobicContact CG-CG2 3.92Å; L701-V714 PolarHBondContact O-N 3.11Å; V703-V714 HydrophobicContact CB-CG2 4.39Å; V703-V714 HydrophobicContact CG1-CG1 3.55Å; V703-V714 HydrophobicContact CG1-CG2 4.22Å; K712-V714 PolarHBondContact O-N 2.85Å; V714-V724 HydrophobicContact CG2-CG2 4.08Å
715	Y	94.6	Very high	87.9	Confident	27 Å²	27	45.9 Å²	45.9	11%	0.106	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	145.3	172.3	168	-94.5	0	0	0	110.4	W527 F699 Q700 L701 G717 E719 C722	W527-Y715 HydrophobicContact CH2-CD1 4.02Å; W527-Y715 HydrophobicContact CH2-CE1 4.26Å; W527-Y715 HydrophobicContact CZ2-CD1 4.06Å; W527-Y715 AromaticContact CZ2-CE1 3.9Å; W527-Y715 HydrophobicContact CZ2-CE1 3.9Å; F699-Y715 HydrophobicContact CB-CE1 4.49Å; Q700-Y715 WeakPolarHBondContact CA-O 3.41Å; L701-Y715 HydrophobicContact CB-CD1 4.46Å; L701-Y715 PolarHBondContact N-O 3.09Å; L701-Y715 VanDerWaalsContact N-O 3.09Å; L701-Y715 PolarHBondContact O-N 2.96Å; Y715-G717 VanDerWaalsContact OH-CA 3.27Å; Y715-G717 WeakPolarHBondContact OH-CA 3.45Å; Y715-G717 PolarHBondContact OH-O 3.01Å; Y715-E719 VanDerWaalsContact OH-CB 3.28Å; Y715-E719 WeakPolarHBondContact OH-CB 3.42Å; Y715-E719 PolarHBondContact OH-N 3.08Å; Y715-C722 HydrophobicContact CD1-CB 4.46Å; Y715-C722 HydrophobicContact CD2-CB 4.39Å; Y715-C722 HydrophobicContact CG-CB 4.11Å
716	T	93.3	Very high	87.8	Confident	69 Å²	69	44.1 Å²	44.1	42%	0.423	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	116.6	170.5	-64.6	0	0	0	0	109.1	F699 Q700 V713	F699-T716 VanDerWaalsContact O-CA 3.23Å; F699-T716 WeakPolarHBondContact O-CA 3.47Å; Q700-T716 PolarHBondContact NE2-OG1 3.08Å; V713-T716 WeakPolarHBondContact CG1-OG1 3.45Å
717	G	91	Very high	88.2	Confident	6 Å²	6	42.6 Å²	42.6	6%	0.062	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	178.4	-176.2	0	0	0	0	0	113.4	F699 Y715	F699-G717 PolarHBondContact N-O 2.96Å; F699-G717 PolarHBondContact O-N 3.02Å; Y715-G717 VanDerWaalsContact OH-CA 3.27Å; Y715-G717 WeakPolarHBondContact OH-CA 3.45Å; Y715-G717 PolarHBondContact OH-O 3.01Å
718	P	88.9	Confident	88.6	Confident	55 Å²	55	37.4 Å²	37.4	36%	0.357	22%	0.217	S	C	.	.	S	Bend	trans	-84.5	-7.9	-171.1	34.6	-37.4	0	0	0	115.4	L696	L696-P718 HydrophobicContact CD2-CB 4.09Å; L696-P718 HydrophobicContact CD2-CG 4.45Å
719	E	88.5	Confident	89.4	Confident	82 Å²	82	37.1 Å²	37.1	38%	0.383	21%	0.208	S	C	.	.			trans	-73.3	150.1	-175.5	-58.4	-58.9	145.2	0	0	112.2	W527 F699 Y715 V721	W527-E719 WeakPolarHBondContact CZ2-O 3.33Å; W527-E719 PolarHBondContact NE1-O 3.44Å; F699-E719 WeakPolarHBondContact CD2-O 3.46Å; Y715-E719 VanDerWaalsContact OH-CB 3.28Å; Y715-E719 WeakPolarHBondContact OH-CB 3.42Å; Y715-E719 PolarHBondContact OH-N 3.08Å; E719-V721 VanDerWaalsContact C-N 3.31Å
720	Y	90.3	Very high	89.9	Confident	26 Å²	26	39.5 Å²	39.5	10%	0.102	21%	0.213	C	C	.	.	S	Bend	trans	-89.2	3.9	179.3	-69.1	-97	0	0	0	113.5	L526 W527 T529 L688 T690 F699	L526-Y720 WeakPolarHBondContact CD1-O 3.37Å; W527-Y720 PolarHBondContact N-O 3.11Å; T529-Y720 HydrophobicContact CG2-CE1 4.43Å; L688-Y720 PolarHBondContact O-OH 2.98Å; T690-Y720 PolarHBondContact OG1-OH 3.5Å; F699-Y720 HydrophobicContact CE2-CD1 4.01Å; F699-Y720 HydrophobicContact CE2-CD2 4.27Å; F699-Y720 AromaticContact CE2-CE1 3.74Å; F699-Y720 HydrophobicContact CE2-CE1 3.74Å; F699-Y720 AromaticContact CE2-CE2 3.99Å; F699-Y720 HydrophobicContact CE2-CE2 3.99Å; F699-Y720 HydrophobicContact CE2-CG 4.27Å; F699-Y720 AromaticContact CE2-CZ 3.72Å; F699-Y720 HydrophobicContact CZ-CD1 4.09Å; F699-Y720 AromaticContact CZ-CE1 3.52Å; F699-Y720 HydrophobicContact CZ-CE1 3.52Å; F699-Y720 HydrophobicContact CZ-CE2 4.46Å; F699-Y720 AromaticContact CZ-CZ 3.73Å
721	V	91.7	Very high	90.2	Very high	21 Å²	21	35.6 Å²	35.6	13%	0.127	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.5	-174.3	69.4	0	0	0	0	110.6	Q524 L525 L526 P611 E719	Q524-V721 HydrophobicContact CG-CG2 3.95Å; L525-V721 WeakPolarHBondContact O-CA 3.29Å; L525-V721 WeakPolarHBondContact O-CG2 3.32Å; L526-V721 HydrophobicContact CD1-CB 3.92Å; L526-V721 HydrophobicContact CD1-CG2 4.1Å; P611-V721 HydrophobicContact CG-CG1 4.44Å; E719-V721 VanDerWaalsContact C-N 3.31Å
722	C	93.2	Very high	90.3	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	141.7	171	174.9	0	0	0	0	110.7	Q524 L525 W527 L701 Y715	Q524-C722 CarbonylContact C-O 3.48Å; Q524-C722 WeakPolarHBondContact CA-O 3.41Å; L525-C722 PolarHBondContact N-O 3.1Å; L525-C722 PolarHBondContact O-N 2.79Å; W527-C722 HydrophobicContact CH2-CB 3.53Å; W527-C722 HydrophobicContact CZ3-CB 3.94Å; L701-C722 HydrophobicContact CD2-CB 3.99Å; Y715-C722 HydrophobicContact CD1-CB 4.46Å; Y715-C722 HydrophobicContact CD2-CB 4.39Å; Y715-C722 HydrophobicContact CG-CB 4.11Å
723	R	94	Very high	90.5	Very high	35 Å²	35	34.1 Å²	34.1	13%	0.132	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112	174.3	-174.3	176.3	173.3	105	1.7	109.2	E519 S522 Q524 V614 E725	E519-R723 IonicContact OE2-CZ 2.85Å; E519-R723 IonicContact OE2-NH1 3.14Å; E519-R723 PolarHBondContact OE2-NH1 3.43Å; E519-R723 IonicContact OE2-NH2 2.7Å; E519-R723 PolarHBondContact OE2-NH2 2.96Å; S522-R723 PolarHBondContact OG-NH2 3.31Å; Q524-R723 HydrophobicContact CB-CG 4.5Å; V614-R723 PolarHBondContact N-O 3.28Å; V614-R723 VanDerWaalsContact N-O 3.13Å; R723-E725 HydrophobicContact CG-CG 3.97Å; R723-E725 IonicContact CZ-OE1 3.21Å; R723-E725 IonicContact NE-OE1 2.7Å; R723-E725 PolarHBondContact NE-OE1 2.99Å; R723-E725 IonicContact NH2-OE1 2.72Å
724	V	92.5	Very high	90.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.9	178.4	-174.6	0	0	0	0	108.2	S522 I523 L525 A616 L701 V714 L727 F735	S522-V724 CarbonylContact C-O 3.6Å; S522-V724 VanDerWaalsContact CA-O 3.23Å; S522-V724 WeakPolarHBondContact CA-O 3.27Å; I523-V724 PolarHBondContact N-O 2.88Å; I523-V724 PolarHBondContact O-N 2.97Å; L525-V724 HydrophobicContact CD1-CG2 4.34Å; A616-V724 HydrophobicContact CB-CG1 4.06Å; L701-V724 HydrophobicContact CD2-CG2 4.18Å; V714-V724 HydrophobicContact CG2-CG2 4.08Å; V724-L727 HydrophobicContact CB-CD1 4.48Å; V724-L727 HydrophobicContact CG1-CD1 4.19Å; V724-L727 HydrophobicContact CG1-CD2 3.98Å; V724-L727 HydrophobicContact CG1-CG 4.23Å; V724-F735 HydrophobicContact CG2-CE1 4.31Å
725	E	89	Confident	90.7	Very high	57 Å²	57	31.5 Å²	31.5	27%	0.266	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	173.2	-171.9	-54.7	-163.1	135.8	0	0	112.1	V614 A616 R723 L727	V614-E725 PolarHBondContact O-N 3.1Å; A616-E725 WeakPolarHBondContact CB-O 3.39Å; A616-E725 PolarHBondContact N-O 3.23Å; R723-E725 HydrophobicContact CG-CG 3.97Å; R723-E725 IonicContact CZ-OE1 3.21Å; R723-E725 IonicContact NE-OE1 2.7Å; R723-E725 PolarHBondContact NE-OE1 2.99Å; R723-E725 IonicContact NH2-OE1 2.72Å; E725-L727 PolarHBondContact O-N 3.07Å
726	G	83.3	Confident	90.8	Very high	8 Å²	8	31.9 Å²	31.9	8%	0.082	17%	0.167	C	C	.	.	S	Bend	trans	66.4	23	175.6	0	0	0	0	0	114.6	N521	N521-G726 PolarHBondContact O-N 3.46Å
727	L	88.8	Confident	90.9	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-76.3	152.8	176.2	-61.4	165.8	0	0	0	110.4	N521 I523 A616 V724 E725 Y733 T756	N521-L727 WeakPolarHBondContact CB-O 3.38Å; N521-L727 WeakPolarHBondContact O-CB 3.41Å; N521-L727 PolarHBondContact O-N 2.67Å; I523-L727 HydrophobicContact CB-CD1 4.01Å; I523-L727 HydrophobicContact CD1-CD1 3.75Å; I523-L727 HydrophobicContact CG1-CD1 3.7Å; A616-L727 HydrophobicContact CB-CD2 3.5Å; A616-L727 VanDerWaalsContact CB-CD2 3.5Å; A616-L727 HydrophobicContact CB-CG 4.11Å; V724-L727 HydrophobicContact CB-CD1 4.48Å; V724-L727 HydrophobicContact CG1-CD1 4.19Å; V724-L727 HydrophobicContact CG1-CD2 3.98Å; V724-L727 HydrophobicContact CG1-CG 4.23Å; E725-L727 PolarHBondContact O-N 3.07Å; L727-Y733 HydrophobicContact CB-CD2 4.43Å; L727-Y733 HydrophobicContact CB-CE2 3.74Å; L727-Y733 HydrophobicContact CD2-CD1 3.95Å; L727-Y733 HydrophobicContact CD2-CD2 4.28Å; L727-Y733 HydrophobicContact CD2-CE1 3.61Å; L727-Y733 HydrophobicContact CD2-CE2 3.97Å; L727-Y733 HydrophobicContact CD2-CG 4.27Å; L727-Y733 HydrophobicContact CG-CE2 4.33Å; L727-T756 HydrophobicContact CB-CG2 3.75Å; L727-T756 HydrophobicContact CD1-CG2 4.08Å
728	H	86.5	Confident	91	Very high	51 Å²	51	29.1 Å²	29.1	24%	0.236	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-66.9	138.5	173.3	-62	-50.5	0	0	0	110.4	T731 Y733 T756 S801	H728-T731 WeakPolarHBondContact O-CB 3.26Å; H728-Y733 PolarHBondContact N-OH 3.16Å; H728-T756 WeakPolarHBondContact O-CB 3.49Å; H728-T756 WeakPolarHBondContact O-CG2 3.49Å; H728-T756 PolarHBondContact O-OG1 2.89Å; H728-S801 PolarHBondContact CE1-OG 3.27Å
729	L	87.3	Confident	91.2	Very high	23 Å²	23	26.5 Å²	26.5	12%	0.12	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	159.7	176.5	-69.4	165.5	0	0	0	111.5	S520 N521 T731 T756 A757 A760 F800	S520-L729 WeakPolarHBondContact O-CD2 3.49Å; N521-L729 HydrophobicContact CB-CD2 4.16Å; N521-L729 HydrophobicContact CB-CG 4.46Å; L729-T731 PolarHBondContact O-N 3.37Å; L729-T731 PolarHBondContact O-OG1 3.27Å; L729-T756 VanDerWaalsContact C-OG1 3.31Å; L729-T756 WeakPolarHBondContact CA-OG1 3.29Å; L729-A757 HydrophobicContact CD2-CB 4.4Å; L729-A760 HydrophobicContact CD1-CB 3.48Å; L729-A760 VanDerWaalsContact CD1-CB 3.48Å; L729-F800 HydrophobicContact CD1-CD1 4.34Å; L729-F800 HydrophobicContact CD1-CE1 3.9Å
730	N	87.1	Confident	91.2	Very high	82 Å²	82	23.3 Å²	23.3	44%	0.439	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	23.1	179.3	-166.4	27	0	0	0	114.4	K755 T756 A757	N730-K755 WeakPolarHBondContact O-CE 3.49Å; N730-K755 PolarHBondContact O-NZ 3.11Å; N730-K755 WeakPolarHBondContact OD1-CE 3.46Å; N730-K755 PolarHBondContact OD1-NZ 2.9Å; N730-T756 PolarHBondContact N-OG1 3.41Å; N730-T756 VanDerWaalsContact N-OG1 3.16Å; N730-A757 PolarHBondContact N-O 3.14Å
731	T	89.1	Confident	90.9	Very high	24 Å²	24	23 Å²	23	15%	0.147	12%	0.116	C	C	.	.			trans	-115.8	133.1	-169.4	-62.4	0	0	0	0	110.3	H728 L729 Y733 K755 T756	H728-T731 WeakPolarHBondContact O-CB 3.26Å; L729-T731 PolarHBondContact O-N 3.37Å; L729-T731 PolarHBondContact O-OG1 3.27Å; T731-Y733 HydrophobicContact CG2-CD2 4.06Å; T731-Y733 HydrophobicContact CG2-CE2 3.56Å; T731-K755 WeakPolarHBondContact O-CA 3.46Å; T731-T756 PolarHBondContact N-OG1 2.95Å; T731-T756 PolarHBondContact O-N 3.31Å; T731-T756 PolarHBondContact O-OG1 3.45Å
732	T	92.7	Very high	90.3	Very high	52 Å²	52	24.8 Å²	24.8	32%	0.319	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123.2	174.5	-55.3	0	0	0	0	109.3	N705 G706 E753	N705-T732 CarbonylContact C-O 3.44Å; G706-T732 WeakPolarHBondContact CA-O 3.13Å; G706-T732 PolarHBondContact N-O 3.29Å; T732-E753 HydrophobicContact CG2-CB 3.9Å
733	Y	93.6	Very high	89.5	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.2	174.3	-75.5	-89.8	0	0	0	110.1	L619 V703 D704 N705 L727 H728 T731 E753 I754 T756	L619-Y733 HydrophobicContact CD1-CE1 3.74Å; V703-Y733 HydrophobicContact CG2-CD1 3.72Å; V703-Y733 HydrophobicContact CG2-CG 4.28Å; D704-Y733 WeakPolarHBondContact O-CA 3.17Å; N705-Y733 HydrophobicContact CB-CD1 4.38Å; N705-Y733 HydrophobicContact CB-CE1 3.96Å; L727-Y733 HydrophobicContact CB-CD2 4.43Å; L727-Y733 HydrophobicContact CB-CE2 3.74Å; L727-Y733 HydrophobicContact CD2-CD1 3.95Å; L727-Y733 HydrophobicContact CD2-CD2 4.28Å; L727-Y733 HydrophobicContact CD2-CE1 3.61Å; L727-Y733 HydrophobicContact CD2-CE2 3.97Å; L727-Y733 HydrophobicContact CD2-CG 4.27Å; L727-Y733 HydrophobicContact CG-CE2 4.33Å; H728-Y733 PolarHBondContact N-OH 3.16Å; T731-Y733 HydrophobicContact CG2-CD2 4.06Å; T731-Y733 HydrophobicContact CG2-CE2 3.56Å; Y733-E753 WeakPolarHBondContact O-CA 3.37Å; Y733-I754 PolarHBondContact N-O 3.44Å; Y733-I754 PolarHBondContact O-N 3.47Å; Y733-T756 HydrophobicContact CD2-CG2 4.02Å; Y733-T756 HydrophobicContact CE2-CG2 3.98Å
734	R	94.1	Very high	88.9	Confident	34 Å²	34	23.8 Å²	23.8	13%	0.128	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121	174.5	-61.6	-163.7	-64	174.1	0.5	108.3	E359 V703 D704 F711 I751 V752 E753	E359-R734 IonicContact OE2-CZ 3.17Å; E359-R734 IonicContact OE2-NH1 2.67Å; E359-R734 PolarHBondContact OE2-NH1 3.05Å; E359-R734 IonicContact OE2-NH2 2.75Å; E359-R734 PolarHBondContact OE2-NH2 3.14Å; V703-R734 CarbonylContact C-O 3.52Å; V703-R734 VanDerWaalsContact CA-O 3.31Å; V703-R734 WeakPolarHBondContact CA-O 3.3Å; D704-R734 HydrophobicContact CB-CB 4.3Å; D704-R734 PolarHBondContact N-O 2.73Å; D704-R734 PolarHBondContact O-N 3.28Å; D704-R734 IonicContact OD2-CZ 2.81Å; D704-R734 IonicContact OD2-NE 2.77Å; D704-R734 PolarHBondContact OD2-NE 2.91Å; D704-R734 IonicContact OD2-NH2 2.79Å; D704-R734 PolarHBondContact OD2-NH2 3.49Å; F711-R734 HydrophobicContact CE1-CB 4.1Å; F711-R734 WeakPolarHBondContact CE1-O 3.47Å; F711-R734 HydrophobicContact CZ-CB 3.99Å; R734-I751 HydrophobicContact CB-CG2 3.79Å; R734-I751 HydrophobicContact CG-CG2 4.31Å; R734-V752 CarbonylContact C-O 3.51Å; R734-V752 WeakPolarHBondContact CA-O 3.41Å; R734-E753 WeakPolarHBondContact CD-OE1 3.45Å; R734-E753 HydrophobicContact CG-CG 4.19Å
735	F	95.6	Very high	88.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.1	177.7	-64.6	-88.3	0	0	0	111	I511 I523 L525 L701 E702 V703 V724 I751 V752 I754	I511-F735 HydrophobicContact CD1-CB 4.29Å; I523-F735 HydrophobicContact CB-CZ 4.33Å; I523-F735 HydrophobicContact CD1-CE2 3.73Å; I523-F735 HydrophobicContact CD1-CZ 3.93Å; I523-F735 HydrophobicContact CG2-CE2 4.24Å; I523-F735 HydrophobicContact CG2-CZ 4.27Å; L525-F735 HydrophobicContact CD1-CD1 3.49Å; L525-F735 VanDerWaalsContact CD1-CD1 3.49Å; L525-F735 HydrophobicContact CD1-CD2 4.3Å; L525-F735 HydrophobicContact CD1-CE1 3.51Å; L525-F735 HydrophobicContact CD1-CE2 4.32Å; L525-F735 HydrophobicContact CD1-CG 3.9Å; L525-F735 HydrophobicContact CD1-CZ 3.94Å; L525-F735 HydrophobicContact CD2-CB 4.09Å; L525-F735 HydrophobicContact CD2-CD1 4.42Å; L525-F735 HydrophobicContact CD2-CD2 4.32Å; L525-F735 HydrophobicContact CD2-CG 4.03Å; L701-F735 HydrophobicContact CD1-CD1 4.36Å; E702-F735 WeakPolarHBondContact O-CA 3.42Å; V703-F735 HydrophobicContact CB-CD1 3.75Å; V703-F735 HydrophobicContact CB-CE1 3.68Å; V703-F735 HydrophobicContact CB-CZ 4.49Å; V703-F735 HydrophobicContact CG2-CD1 3.59Å; V703-F735 HydrophobicContact CG2-CD2 4.45Å; V703-F735 HydrophobicContact CG2-CE1 3.3Å; V703-F735 HydrophobicContact CG2-CE2 4.21Å; V703-F735 HydrophobicContact CG2-CG 4.18Å; V703-F735 HydrophobicContact CG2-CZ 3.64Å; V724-F735 HydrophobicContact CG2-CE1 4.31Å; F735-I751 WeakPolarHBondContact O-CA 3.26Å; F735-V752 HydrophobicContact CB-CG2 3.88Å; F735-V752 PolarHBondContact N-O 2.88Å; F735-V752 PolarHBondContact O-N 2.91Å; F735-I754 HydrophobicContact CD2-CB 4.27Å; F735-I754 HydrophobicContact CD2-CD1 4.17Å; F735-I754 HydrophobicContact CD2-CG1 4.25Å; F735-I754 HydrophobicContact CE2-CB 4.15Å; F735-I754 HydrophobicContact CE2-CD1 4.49Å
736	R	95.3	Very high	88.7	Confident	35 Å²	35	24.1 Å²	24.1	13%	0.132	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.3	169.9	68.6	-176.7	-171.8	175.6	2.4	110	E702 F711 Y748 I751	E702-R736 HydrophobicContact CB-CG 4.14Å; E702-R736 PolarHBondContact N-O 3.39Å; E702-R736 PolarHBondContact O-N 3.09Å; E702-R736 IonicContact OE2-CZ 3.2Å; E702-R736 IonicContact OE2-NE 3.47Å; E702-R736 PolarHBondContact OE2-NE 3.28Å; E702-R736 IonicContact OE2-NH2 2.8Å; E702-R736 PolarHBondContact OE2-NH2 3.16Å; F711-R736 HydrophobicContact CD1-CG 3.75Å; F711-R736 HydrophobicContact CE1-CB 4.28Å; F711-R736 HydrophobicContact CE1-CG 3.75Å; F711-R736 HydrophobicContact CG-CG 4.4Å; F711-R736 HydrophobicContact CZ-CG 4.4Å; R736-Y748 HydrophobicContact CB-CD1 4.33Å; R736-Y748 HydrophobicContact CG-CD1 3.72Å; R736-Y748 HydrophobicContact CG-CE1 4.22Å; R736-Y748 HydrophobicContact CG-CG 4.17Å; R736-I751 HydrophobicContact CB-CG1 4.27Å
737	I	95.6	Very high	89	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.9	-176.8	-172.2	168.6	0	0	0	111.7	P509 I511 W527 F699 Q700 L701 Y748 S749	P509-I737 HydrophobicContact CB-CG2 4.36Å; P509-I737 HydrophobicContact CG-CB 4.5Å; P509-I737 HydrophobicContact CG-CG1 4.13Å; P509-I737 HydrophobicContact CG-CG2 4.03Å; I511-I737 HydrophobicContact CD1-CG2 3.85Å; I511-I737 HydrophobicContact CG1-CG2 3.52Å; W527-I737 HydrophobicContact CB-CD1 4.45Å; W527-I737 HydrophobicContact CD2-CD1 3.18Å; W527-I737 HydrophobicContact CE3-CD1 3.56Å; W527-I737 HydrophobicContact CG-CD1 3.61Å; W527-I737 HydrophobicContact CH2-CD1 3.82Å; W527-I737 HydrophobicContact CZ2-CD1 3.49Å; W527-I737 VanDerWaalsContact CZ2-CD1 3.49Å; W527-I737 HydrophobicContact CZ3-CD1 3.87Å; F699-I737 HydrophobicContact CB-CD1 4.05Å; F699-I737 HydrophobicContact CB-CG1 4.41Å; Q700-I737 WeakPolarHBondContact O-CA 3.3Å; Q700-I737 WeakPolarHBondContact O-CG1 3.36Å; L701-I737 HydrophobicContact CB-CD1 4.12Å; L701-I737 HydrophobicContact CB-CG1 4.26Å; L701-I737 HydrophobicContact CD1-CB 4.05Å; L701-I737 HydrophobicContact CD1-CD1 4.35Å; I737-Y748 CarbonylContact O-C 3.56Å; I737-S749 PolarHBondContact N-OG 3.09Å; I737-S749 WeakPolarHBondContact O-CB 3.44Å; I737-S749 PolarHBondContact O-N 3.29Å
738	R	93.7	Very high	89.2	Confident	17 Å²	17	27.5 Å²	27.5	6%	0.064	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.6	174.1	61.8	179.1	179.5	151.3	8.4	111.2	F699 Q700 Q745 S746 Y748	F699-R738 CarbonylContact C-O 3.56Å; F699-R738 WeakPolarHBondContact CA-O 3.32Å; Q700-R738 HydrophobicContact CB-CG 4.13Å; Q700-R738 PolarHBondContact N-O 3.04Å; Q700-R738 PolarHBondContact O-N 3.33Å; Q700-R738 VanDerWaalsContact O-N 3.07Å; R738-Q745 VanDerWaalsContact CZ-OE1 3.26Å; R738-S746 WeakPolarHBondContact CB-OG 3.46Å; R738-Y748 HydrophobicContact CB-CD1 3.83Å; R738-Y748 HydrophobicContact CB-CE1 4.09Å; R738-Y748 HydrophobicContact CB-CG 4.4Å; R738-Y748 VanDerWaalsContact CD-CE1 3.41Å; R738-Y748 VanDerWaalsContact CD-CZ 3.49Å; R738-Y748 HydrophobicContact CG-CD1 3.85Å; R738-Y748 HydrophobicContact CG-CE1 3.56Å; R738-Y748 PolarHBondContact NE-OH 2.86Å; R738-Y748 VanDerWaalsContact NE-OH 3.11Å
739	S	92.7	Very high	89.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	155.7	172.5	58.7	0	0	0	0	110.7	P506 P507 Q698 S746	P506-S739 WeakPolarHBondContact CB-OG 3.41Å; P506-S739 PolarHBondContact O-OG 2.68Å; P507-S739 PolarHBondContact O-OG 2.69Å; Q698-S739 CarbonylContact O-C 3.56Å; Q698-S739 VanDerWaalsContact O-CA 3.32Å; Q698-S739 WeakPolarHBondContact O-CA 3.42Å; S739-S746 PolarHBondContact N-OG 3.09Å; S739-S746 PolarHBondContact O-N 3.37Å; S739-S746 VanDerWaalsContact OG-CB 3.3Å; S739-S746 WeakPolarHBondContact OG-CB 3.35Å; S739-S746 PolarHBondContact OG-OG 3.06Å
740	T	89.2	Confident	89.7	Confident	16 Å²	16	31.2 Å²	31.2	10%	0.098	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.9	-180	57.8	0	0	0	0	109.7	Q698 A744 Q745	Q698-T740 PolarHBondContact N-O 2.58Å; Q698-T740 PolarHBondContact O-N 2.74Å; Q698-T740 PolarHBondContact O-OG1 2.77Å; T740-A744 WeakPolarHBondContact CA-O 3.39Å; T740-Q745 HydrophobicContact CG2-CB 3.93Å; T740-Q745 HydrophobicContact CG2-CG 3.75Å
741	N	84.6	Confident	89.9	Confident	18 Å²	18	31.2 Å²	31.2	10%	0.096	18%	0.18	C	C	.	.			trans	-110.9	-169.2	163.8	71.9	-28.7	0	0	0	109.2	P506 E695 I743 A744	P506-N741 WeakPolarHBondContact CD-OD1 3.45Å; E695-N741 HydrophobicContact CB-CB 4.29Å; E695-N741 WeakPolarHBondContact OE2-CB 3.24Å; E695-N741 PolarHBondContact OE2-ND2 2.63Å; N741-I743 PolarHBondContact O-N 3.13Å; N741-A744 PolarHBondContact N-O 2.93Å; N741-A744 VanDerWaalsContact N-O 3.09Å; N741-A744 PolarHBondContact OD1-N 3.4Å; N741-A744 PolarHBondContact OD1-O 3.49Å; N741-A744 VanDerWaalsContact OD1-O 3.06Å
742	G	78.2	Confident	90.2	Very high	60 Å²	60	30.8 Å²	30.8	62%	0.619	18%	0.178	S	C	*	.	S	Bend	trans	-68.9	-22	-177.9	0	0	0	0	0	113.5	E695	E695-G742 VanDerWaalsContact OE1-CA 3.23Å; E695-G742 WeakPolarHBondContact OE1-CA 3.43Å; E695-G742 PolarHBondContact OE1-N 2.87Å; E695-G742 PolarHBondContact OE2-N 2.88Å
743	I	75.7	Confident	90.3	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.051	19%	0.192	C	C	.	.	S	Bend	trans	-97.6	-47.6	-175.4	-67.8	148.2	0	0	0	112.4	N377 M378 F381 I503 N741	N377-I743 VanDerWaalsContact CB-O 3.24Å; N377-I743 WeakPolarHBondContact CB-O 3.18Å; N377-I743 PolarHBondContact ND2-O 3.27Å; M378-I743 HydrophobicContact CB-CG2 3.94Å; M378-I743 HydrophobicContact CG-CG2 4.14Å; F381-I743 HydrophobicContact CB-CG1 4.33Å; F381-I743 HydrophobicContact CD1-CD1 4.02Å; F381-I743 HydrophobicContact CD1-CG1 4.39Å; F381-I743 HydrophobicContact CD2-CD1 4.1Å; F381-I743 HydrophobicContact CD2-CG1 3.86Å; F381-I743 HydrophobicContact CE1-CD1 4.09Å; F381-I743 HydrophobicContact CE2-CD1 4.15Å; F381-I743 HydrophobicContact CE2-CG1 4.3Å; F381-I743 HydrophobicContact CG-CD1 4.05Å; F381-I743 HydrophobicContact CG-CG1 3.92Å; F381-I743 HydrophobicContact CZ-CD1 4.16Å; I503-I743 HydrophobicContact CB-CD1 4.1Å; I503-I743 HydrophobicContact CD1-CD1 3.57Å; I503-I743 HydrophobicContact CG1-CD1 4.43Å; I503-I743 HydrophobicContact CG2-CD1 3.67Å; N741-I743 PolarHBondContact O-N 3.13Å
744	A	82.2	Confident	90.3	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.041	20%	0.196	C	C	.	.			trans	-138.7	158.7	-166.6	0	0	0	0	0	114.4	N374 P505 T740 N741	N374-A744 HydrophobicContact CB-CB 4.23Å; P505-A744 HydrophobicContact CB-CB 3.94Å; T740-A744 WeakPolarHBondContact CA-O 3.39Å; N741-A744 PolarHBondContact N-O 2.93Å; N741-A744 VanDerWaalsContact N-O 3.09Å; N741-A744 PolarHBondContact OD1-N 3.4Å; N741-A744 PolarHBondContact OD1-O 3.49Å; N741-A744 VanDerWaalsContact OD1-O 3.06Å
745	Q	88.5	Confident	90.3	Very high	60 Å²	60	38.6 Å²	38.6	28%	0.28	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-114.5	130.8	175.6	-49.6	-168.4	-33.9	0	0	109.6	N374 R738 T740	N374-Q745 PolarHBondContact ND2-O 3.32Å; N374-Q745 PolarHBondContact OD1-N 3.02Å; R738-Q745 VanDerWaalsContact CZ-OE1 3.26Å; T740-Q745 HydrophobicContact CG2-CB 3.93Å; T740-Q745 HydrophobicContact CG2-CG 3.75Å
746	S	89.6	Confident	90.1	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.035	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-66.9	159.4	175	86.5	0	0	0	0	110.9	P506 R738 S739	P506-S746 VanDerWaalsContact O-CB 3.23Å; P506-S746 WeakPolarHBondContact O-CB 3.47Å; R738-S746 WeakPolarHBondContact CB-OG 3.46Å; S739-S746 PolarHBondContact N-OG 3.09Å; S739-S746 PolarHBondContact O-N 3.37Å; S739-S746 VanDerWaalsContact OG-CB 3.3Å; S739-S746 WeakPolarHBondContact OG-CB 3.35Å; S739-S746 PolarHBondContact OG-OG 3.06Å
747	A	89.1	Confident	89.9	Confident	44 Å²	44	38.6 Å²	38.6	36%	0.364	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-57.2	156.2	159.1	0	0	0	0	0	110.1	V508	V508-A747 HydrophobicContact CG2-CB 4.11Å
748	Y	92.2	Very high	89.5	Confident	40 Å²	40	45.4 Å²	45.4	16%	0.157	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-68.3	150	171	-70.9	-76.3	0	0	0	111.4	E702 R736 I737 R738	E702-Y748 VanDerWaalsContact CD-OH 3.23Å; E702-Y748 HydrophobicContact CG-CE1 4.07Å; E702-Y748 PolarHBondContact OE1-OH 3.11Å; E702-Y748 PolarHBondContact OE2-OH 3.49Å; R736-Y748 HydrophobicContact CB-CD1 4.33Å; R736-Y748 HydrophobicContact CG-CD1 3.72Å; R736-Y748 HydrophobicContact CG-CE1 4.22Å; R736-Y748 HydrophobicContact CG-CG 4.17Å; I737-Y748 CarbonylContact O-C 3.56Å; R738-Y748 HydrophobicContact CB-CD1 3.83Å; R738-Y748 HydrophobicContact CB-CE1 4.09Å; R738-Y748 HydrophobicContact CB-CG 4.4Å; R738-Y748 VanDerWaalsContact CD-CE1 3.41Å; R738-Y748 VanDerWaalsContact CD-CZ 3.49Å; R738-Y748 HydrophobicContact CG-CD1 3.85Å; R738-Y748 HydrophobicContact CG-CE1 3.56Å; R738-Y748 PolarHBondContact NE-OH 2.86Å; R738-Y748 VanDerWaalsContact NE-OH 3.11Å
749	S	93.7	Very high	89.3	Confident	13 Å²	13	46.6 Å²	46.6	9%	0.091	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-54.1	165.1	165	73.8	0	0	0	0	111.7	P509 I737 I751	P509-S749 VanDerWaalsContact O-CB 3.25Å; P509-S749 WeakPolarHBondContact O-CB 3.48Å; I737-S749 PolarHBondContact N-OG 3.09Å; I737-S749 WeakPolarHBondContact O-CB 3.44Å; I737-S749 PolarHBondContact O-N 3.29Å; S749-I751 PolarHBondContact O-N 3.47Å
750	D	91.2	Very high	89.1	Confident	139 Å²	139	46.9 Å²	46.9	74%	0.743	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-48.3	141	157.5	-67.5	-50.4	0	0	0	110.2	V752	D750-V752 PolarHBondContact O-N 3.22Å
751	I	92.4	Very high	89.2	Confident	81 Å²	81	49.3 Å²	49.3	42%	0.415	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-75.3	124.1	175.1	-63	167.6	0	0	0	107.9	F711 R734 F735 R736 S749	F711-I751 HydrophobicContact CE2-CD1 4.18Å; F711-I751 HydrophobicContact CZ-CD1 3.88Å; F711-I751 HydrophobicContact CZ-CG1 4.08Å; F711-I751 HydrophobicContact CZ-CG2 4.09Å; R734-I751 HydrophobicContact CB-CG2 3.79Å; R734-I751 HydrophobicContact CG-CG2 4.31Å; F735-I751 WeakPolarHBondContact O-CA 3.26Å; R736-I751 HydrophobicContact CB-CG1 4.27Å; S749-I751 PolarHBondContact O-N 3.47Å
752	V	94	Very high	89.6	Confident	16 Å²	16	48.7 Å²	48.7	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.2	174.2	-56	0	0	0	0	110.8	I511 L513 R734 F735 D750 I754	I511-V752 HydrophobicContact CB-CG1 4.28Å; I511-V752 HydrophobicContact CB-CG2 4.43Å; I511-V752 HydrophobicContact CD1-CG1 4.38Å; I511-V752 HydrophobicContact CD1-CG2 3.63Å; I511-V752 HydrophobicContact CG2-CG2 4.14Å; L513-V752 HydrophobicContact CD1-CB 4.1Å; L513-V752 HydrophobicContact CD1-CG1 3.84Å; L513-V752 HydrophobicContact CD2-CB 4.02Å; L513-V752 HydrophobicContact CD2-CG1 4.39Å; L513-V752 HydrophobicContact CD2-CG2 4.23Å; L513-V752 HydrophobicContact CG-CB 4.24Å; L513-V752 HydrophobicContact CG-CG1 4.06Å; R734-V752 CarbonylContact C-O 3.51Å; R734-V752 WeakPolarHBondContact CA-O 3.41Å; F735-V752 HydrophobicContact CB-CG2 3.88Å; F735-V752 PolarHBondContact N-O 2.88Å; F735-V752 PolarHBondContact O-N 2.91Å; D750-V752 PolarHBondContact O-N 3.22Å; V752-I754 HydrophobicContact CG2-CD1 4.22Å; V752-I754 HydrophobicContact CG2-CG1 4.25Å
753	E	94.3	Very high	90.3	Very high	133 Å²	133	48.2 Å²	48.2	62%	0.621	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.5	176	-54.8	-157.3	149	0	0	109.6	T732 Y733 R734	T732-E753 HydrophobicContact CG2-CB 3.9Å; Y733-E753 WeakPolarHBondContact O-CA 3.37Å; R734-E753 WeakPolarHBondContact CD-OE1 3.45Å; R734-E753 HydrophobicContact CG-CG 4.19Å
754	I	94.6	Very high	91.2	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.072	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.7	178.8	-51.9	179.6	0	0	0	108.5	L513 C516 V518 I523 L525 Y733 F735 V752	L513-I754 HydrophobicContact CD2-CD1 3.83Å; L513-I754 HydrophobicContact CD2-CG1 3.81Å; C516-I754 HydrophobicContact CB-CD1 4.27Å; V518-I754 HydrophobicContact CG2-CG2 3.68Å; I523-I754 HydrophobicContact CD1-CB 4.11Å; I523-I754 HydrophobicContact CD1-CG2 3.77Å; I523-I754 HydrophobicContact CG1-CG2 4.34Å; I523-I754 HydrophobicContact CG2-CD1 4.11Å; I523-I754 HydrophobicContact CG2-CG2 4.05Å; L525-I754 HydrophobicContact CD2-CD1 3.67Å; L525-I754 HydrophobicContact CG-CD1 4.33Å; Y733-I754 PolarHBondContact N-O 3.44Å; Y733-I754 PolarHBondContact O-N 3.47Å; F735-I754 HydrophobicContact CD2-CB 4.27Å; F735-I754 HydrophobicContact CD2-CD1 4.17Å; F735-I754 HydrophobicContact CD2-CG1 4.25Å; F735-I754 HydrophobicContact CE2-CB 4.15Å; F735-I754 HydrophobicContact CE2-CD1 4.49Å; V752-I754 HydrophobicContact CG2-CD1 4.22Å; V752-I754 HydrophobicContact CG2-CG1 4.25Å
755	K	93.5	Very high	91.6	Very high	104 Å²	104	49.5 Å²	49.5	45%	0.452	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131	-177.8	-166.6	178.2	178.5	-178.6	0	111.2	N730 T731	N730-K755 WeakPolarHBondContact O-CE 3.49Å; N730-K755 PolarHBondContact O-NZ 3.11Å; N730-K755 WeakPolarHBondContact OD1-CE 3.46Å; N730-K755 PolarHBondContact OD1-NZ 2.9Å; T731-K755 WeakPolarHBondContact O-CA 3.46Å
756	T	92.1	Very high	91.5	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	27%	0.271	C	S	.	.			trans	-65.8	164.9	173.2	53.2	0	0	0	0	112	I523 L727 H728 L729 N730 T731 Y733	I523-T756 HydrophobicContact CD1-CG2 3.92Å; I523-T756 HydrophobicContact CG1-CG2 4.23Å; L727-T756 HydrophobicContact CB-CG2 3.75Å; L727-T756 HydrophobicContact CD1-CG2 4.08Å; H728-T756 WeakPolarHBondContact O-CB 3.49Å; H728-T756 WeakPolarHBondContact O-CG2 3.49Å; H728-T756 PolarHBondContact O-OG1 2.89Å; L729-T756 VanDerWaalsContact C-OG1 3.31Å; L729-T756 WeakPolarHBondContact CA-OG1 3.29Å; N730-T756 PolarHBondContact N-OG1 3.41Å; N730-T756 VanDerWaalsContact N-OG1 3.16Å; T731-T756 PolarHBondContact N-OG1 2.95Å; T731-T756 PolarHBondContact O-N 3.31Å; T731-T756 PolarHBondContact O-OG1 3.45Å; Y733-T756 HydrophobicContact CD2-CG2 4.02Å; Y733-T756 HydrophobicContact CE2-CG2 3.98Å
757	A	90	Very high	91.2	Very high	30 Å²	30	55.4 Å²	55.4	25%	0.248	30%	0.296	C	S	.	.			trans	-58.3	141.8	-177.7	0	0	0	0	0	111.8	S520 L729 N730 L759	S520-A757 WeakPolarHBondContact O-CB 3.44Å; S520-A757 PolarHBondContact O-N 2.85Å; S520-A757 VanDerWaalsContact O-N 3.07Å; L729-A757 HydrophobicContact CD2-CB 4.4Å; N730-A757 PolarHBondContact N-O 3.14Å; A757-L759 VanDerWaalsContact C-N 3.35Å; A757-L759 PolarHBondContact O-N 2.75Å
758	R	88.6	Confident	90.9	Very high	143 Å²	143	54.1 Å²	54.1	54%	0.54	28%	0.284	S	S	.	.	S	Bend	trans	-66.1	-36.1	-179.7	-177.2	-178.7	66.5	117.1	-8.2	112.9	E958	R758-E958 IonicContact CZ-OE1 3.36Å; R758-E958 IonicContact NH1-OE1 3.96Å; R758-E958 PolarHBondContact NH1-OE1 3.04Å; R758-E958 IonicContact NH2-OE1 3.82Å; R758-E958 PolarHBondContact NH2-OE1 2.95Å
759	L	90	Very high	89.7	Confident	43 Å²	43	53 Å²	53	23%	0.225	28%	0.284	C	S	.	.	S	Bend	trans	-116.3	144	-172.3	-53.9	179.3	0	0	0	109.8	A757 S761 G956 E958	A757-L759 VanDerWaalsContact C-N 3.35Å; A757-L759 PolarHBondContact O-N 2.75Å; L759-S761 PolarHBondContact O-N 2.9Å; L759-S761 VanDerWaalsContact O-N 3.14Å; L759-G956 VanDerWaalsContact CD1-O 3.22Å; L759-G956 WeakPolarHBondContact CD1-O 3.45Å; L759-E958 HydrophobicContact CD1-CG 4.09Å
760	A	88.4	Confident	88.1	Confident	6 Å²	6	54.6 Å²	54.6	5%	0.05	30%	0.295	C	S	.	.			trans	-74.2	100	-179.9	0	0	0	0	0	111.4	L729 F762 F800 G956	L729-A760 HydrophobicContact CD1-CB 3.48Å; L729-A760 VanDerWaalsContact CD1-CB 3.48Å; A760-F762 HydrophobicContact CB-CD1 4.32Å; A760-F800 HydrophobicContact CB-CE1 3.56Å; A760-F800 HydrophobicContact CB-CZ 3.57Å; A760-G956 WeakPolarHBondContact O-CA 3.46Å; A760-G956 PolarHBondContact O-N 2.71Å
761	S	90.3	Very high	86.5	Confident	67 Å²	67	55.9 Å²	55.9	47%	0.469	30%	0.3	S	S	.	.			trans	-91.7	127.3	163.5	-169.7	0	0	0	0	109	S520 L759	S520-S761 WeakPolarHBondContact CB-O 3.28Å; S520-S761 PolarHBondContact OG-N 3.34Å; S520-S761 PolarHBondContact OG-O 2.86Å; L759-S761 PolarHBondContact O-N 2.9Å; L759-S761 VanDerWaalsContact O-N 3.14Å
762	F	92.7	Very high	85.3	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.018	30%	0.304	C	S	.	.			trans	-154.9	159	-175.1	70.6	-95.9	0	0	0	110.3	A760 D797 V798 F800 W807 P941 L953 S955	A760-F762 HydrophobicContact CB-CD1 4.32Å; F762-D797 WeakPolarHBondContact CA-OD1 3.33Å; F762-D797 WeakPolarHBondContact CB-OD1 3.44Å; F762-V798 HydrophobicContact CB-CB 3.71Å; F762-V798 HydrophobicContact CB-CG2 3.6Å; F762-F800 HydrophobicContact CD1-CZ 4.11Å; F762-F800 HydrophobicContact CE1-CZ 4.22Å; F762-W807 HydrophobicContact CE1-CB 3.85Å; F762-W807 HydrophobicContact CE1-CD2 4.04Å; F762-W807 HydrophobicContact CE1-CE3 4.22Å; F762-W807 AromaticContact CE1-CG 3.91Å; F762-W807 HydrophobicContact CE1-CG 3.91Å; F762-W807 HydrophobicContact CZ-CB 3.82Å; F762-W807 AromaticContact CZ-CD1 3.78Å; F762-W807 AromaticContact CZ-CD2 3.78Å; F762-W807 HydrophobicContact CZ-CD2 3.78Å; F762-W807 HydrophobicContact CZ-CE3 4.38Å; F762-W807 AromaticContact CZ-CG 3.52Å; F762-W807 HydrophobicContact CZ-CG 3.52Å; F762-P941 HydrophobicContact CD1-CG 4.39Å; F762-P941 HydrophobicContact CD2-CB 4.3Å; F762-P941 HydrophobicContact CD2-CG 3.99Å; F762-P941 HydrophobicContact CE1-CG 3.9Å; F762-P941 HydrophobicContact CE2-CB 3.46Å; F762-P941 VanDerWaalsContact CE2-CB 3.46Å; F762-P941 HydrophobicContact CE2-CG 3.47Å; F762-P941 VanDerWaalsContact CE2-CG 3.47Å; F762-P941 HydrophobicContact CG-CG 4.43Å; F762-P941 HydrophobicContact CZ-CB 3.62Å; F762-P941 HydrophobicContact CZ-CG 3.41Å; F762-P941 VanDerWaalsContact CZ-CG 3.41Å; F762-L953 HydrophobicContact CD2-CD2 3.73Å; F762-L953 HydrophobicContact CE2-CD1 3.74Å; F762-L953 HydrophobicContact CE2-CD2 3.45Å; F762-L953 VanDerWaalsContact CE2-CD2 3.45Å; F762-L953 HydrophobicContact CE2-CG 4.2Å; F762-L953 HydrophobicContact CZ-CD1 3.75Å; F762-L953 HydrophobicContact CZ-CD2 4.2Å; F762-L953 WeakPolarHBondContact O-CD2 3.43Å; F762-S955 PolarHBondContact N-OG 2.94Å; F762-S955 PolarHBondContact O-OG 2.93Å
763	V	94.3	Very high	84.6	Confident	51 Å²	51	55.2 Å²	55.2	31%	0.309	31%	0.305	S	S	.	.			trans	-125.5	176.5	175.7	-62.4	0	0	0	0	110.1	G796 D797	V763-G796 CarbonylContact O-C 3.25Å; V763-G796 VanDerWaalsContact O-CA 3.26Å; V763-G796 WeakPolarHBondContact O-CA 3.36Å; V763-D797 HydrophobicContact CG2-CB 4.49Å; V763-D797 WeakPolarHBondContact CG2-OD2 3.36Å; V763-D797 PolarHBondContact N-OD1 3.39Å; V763-D797 PolarHBondContact O-N 3.37Å
764	M	93.8	Very high	84.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-84.6	133.1	174.4	-58.4	-52.8	-72	0	0	111.3	P766 L776 G780 I783 L794 L795 W809 I943 L953	M764-P766 VanDerWaalsContact O-CD 3.29Å; M764-P766 WeakPolarHBondContact O-CD 3.2Å; M764-L776 HydrophobicContact CB-CD1 3.86Å; M764-L776 HydrophobicContact CB-CD2 4.27Å; M764-L776 HydrophobicContact CG-CD1 4.42Å; M764-L776 WeakPolarHBondContact O-CD2 3.21Å; M764-G780 WeakPolarHBondContact CB-O 3.42Å; M764-G780 PolarHBondContact N-O 3.43Å; M764-I783 HydrophobicContact CG-CD1 3.98Å; M764-I783 HydrophobicContact CG-CG1 4.18Å; M764-L794 HydrophobicContact CB-CD2 3.86Å; M764-L794 VanDerWaalsContact CE-C 3.47Å; M764-L794 HydrophobicContact CE-CB 4.08Å; M764-L794 HydrophobicContact CE-CD2 4.2Å; M764-L794 VanDerWaalsContact CE-O 3.28Å; M764-L794 WeakPolarHBondContact CE-O 3.46Å; M764-L795 WeakPolarHBondContact CE-O 3.27Å; M764-W809 HydrophobicContact CE-CH2 4.07Å; M764-W809 HydrophobicContact CG-CH2 4.46Å; M764-W809 HydrophobicContact SD-CH2 3.65Å; M764-W809 HydrophobicContact SD-CZ3 4.47Å; M764-I943 HydrophobicContact CE-CG2 3.76Å; M764-L953 HydrophobicContact SD-CD2 4.31Å
765	N	90.8	Very high	84.2	Confident	41 Å²	41	55.2 Å²	55.2	22%	0.219	30%	0.303	C	S	.	.			trans	-80	110.6	179.9	176.8	-6.1	0	0	0	110.2	L767 S768 L794 L795 D797	N765-L767 PolarHBondContact O-N 2.84Å; N765-L767 WeakPolarHBondContact OD1-CB 2.94Å; N765-L767 PolarHBondContact OD1-N 3.11Å; N765-S768 WeakPolarHBondContact O-CB 3.47Å; N765-S768 PolarHBondContact O-N 2.91Å; N765-S768 PolarHBondContact O-OG 3.05Å; N765-L794 VanDerWaalsContact O-CD2 3.29Å; N765-L794 WeakPolarHBondContact O-CD2 3.41Å; N765-L795 PolarHBondContact N-O 3.26Å; N765-D797 HydrophobicContact CB-CB 4.31Å
766	P	85.8	Confident	84.1	Confident	81 Å²	81	52.2 Å²	52.2	53%	0.526	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.5	-177.9	28	-35.3	0	0	0	113.9	M764 S768 L776	M764-P766 VanDerWaalsContact O-CD 3.29Å; M764-P766 WeakPolarHBondContact O-CD 3.2Å; P766-S768 VanDerWaalsContact C-N 3.33Å; P766-L776 HydrophobicContact CB-CD2 3.97Å; P766-L776 HydrophobicContact CG-CD2 4.5Å
767	L	84.3	Confident	84.1	Confident	107 Å²	107	54 Å²	54	56%	0.56	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.5	176.4	-54.8	177	0	0	0	112.6	N765	N765-L767 PolarHBondContact O-N 2.84Å; N765-L767 WeakPolarHBondContact OD1-CB 2.94Å; N765-L767 PolarHBondContact OD1-N 3.11Å
768	S	81.5	Confident	84.1	Confident	17 Å²	17	59.2 Å²	59.2	12%	0.119	34%	0.342	C	S	.	.	S	Bend	trans	-81.3	-17.4	-174	69.5	0	0	0	0	115	N765 P766 L795 K831	N765-S768 WeakPolarHBondContact O-CB 3.47Å; N765-S768 PolarHBondContact O-N 2.91Å; N765-S768 PolarHBondContact O-OG 3.05Å; P766-S768 VanDerWaalsContact C-N 3.33Å; S768-L795 PolarHBondContact OG-N 2.76Å; S768-K831 WeakPolarHBondContact O-CD 3.41Å; S768-K831 WeakPolarHBondContact O-CE 3.29Å; S768-K831 WeakPolarHBondContact O-CG 3.46Å
769	G	67.4	Low	84.2	Confident	16 Å²	16	55.5 Å²	55.5	17%	0.165	33%	0.332	C	S	.	.	S	Bend	trans	-139.1	166.2	-175.7	0	0	0	0	0	112.7
770	P	59.8	Low	84.4	Confident	47 Å²	47	54 Å²	54	31%	0.305	33%	0.327	S	S	.	.			trans	-67.4	142.6	-179	28.2	-34.8	0	0	0	112	S772 R792	P770-S772 PolarHBondContact O-N 3.45Å; P770-R792 HydrophobicContact CG-CG 4.39Å
771	I	57.4	Low	84.7	Confident	167 Å²	167	54.6 Å²	54.6	86%	0.856	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.3	-178.5	-57.9	171	0	0	0	112
772	S	68.5	Low	85	Confident	71 Å²	71	51.7 Å²	51.7	50%	0.497	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	119.3	177	42.8	0	0	0	0	112.8	P770	P770-S772 PolarHBondContact O-N 3.45Å
773	G	79.4	Confident	85.1	Confident	11 Å²	11	51.5 Å²	51.5	11%	0.113	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.7	-33.9	167.6	0	0	0	0	0	115.2	A785 Q786 D788	G773-A785 WeakPolarHBondContact O-CA 3.16Å; G773-Q786 PolarHBondContact O-N 3.41Å; G773-D788 WeakPolarHBondContact CA-OD2 3.49Å
774	L	89.7	Confident	85	Confident	18 Å²	18	50.4 Å²	50.4	9%	0.094	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.5	175.7	-59.1	-171.8	0	0	0	111.9	I783 A785 R792 L794 L945	L774-I783 HydrophobicContact CB-CG2 4.35Å; L774-I783 HydrophobicContact CD1-CG2 4.41Å; L774-A785 HydrophobicContact CD2-CB 3.63Å; L774-R792 HydrophobicContact CD1-CB 3.61Å; L774-R792 HydrophobicContact CD2-CB 4.44Å; L774-R792 HydrophobicContact CG-CB 3.76Å; L774-R792 HydrophobicContact CG-CG 4.34Å; L774-L794 HydrophobicContact CB-CD1 4.17Å; L774-L794 HydrophobicContact CD1-CB 4.37Å; L774-L794 HydrophobicContact CD1-CD1 3.77Å; L774-L945 HydrophobicContact CD2-CB 3.84Å
775	K	90.1	Very high	84.9	Confident	129 Å²	129	50.8 Å²	50.8	56%	0.561	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.9	172.9	-173	171.4	-177.2	175	0	110.2	S784 Q786	K775-S784 PolarHBondContact N-O 2.91Å; K775-S784 PolarHBondContact O-N 3.18Å; K775-Q786 HydrophobicContact CB-CG 4.38Å
776	L	91.4	Very high	84.7	Confident	42 Å²	42	54.2 Å²	54.2	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.2	169.1	-168.8	65.1	0	0	0	109.8	M764 P766 I783	M764-L776 HydrophobicContact CB-CD1 3.86Å; M764-L776 HydrophobicContact CB-CD2 4.27Å; M764-L776 HydrophobicContact CG-CD1 4.42Å; M764-L776 WeakPolarHBondContact O-CD2 3.21Å; P766-L776 HydrophobicContact CB-CD2 3.97Å; P766-L776 HydrophobicContact CG-CD2 4.5Å; L776-I783 HydrophobicContact CD1-CG1 3.83Å
777	A	92.5	Very high	84.6	Confident	42 Å²	42	51.3 Å²	51.3	35%	0.347	31%	0.307	S	S	.	.			trans	-81.3	163.9	172.5	0	0	0	0	0	111.8	D779 G780 T782	A777-D779 WeakPolarHBondContact CB-OD1 3.42Å; A777-D779 PolarHBondContact O-N 2.91Å; A777-G780 PolarHBondContact O-N 3.08Å; A777-T782 PolarHBondContact N-O 3.48Å
778	S	89.6	Confident	84.6	Confident	140 Å²	140	49.7 Å²	49.7	98%	0.979	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-0.8	-179.9	58.2	0	0	0	0	114.8
779	D	91.4	Very high	84.7	Confident	64 Å²	64	54.1 Å²	54.1	34%	0.342	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-12.7	170.1	70.9	-10.6	0	0	0	112.9	A777 C781 T782 R952	A777-D779 WeakPolarHBondContact CB-OD1 3.42Å; A777-D779 PolarHBondContact O-N 2.91Å; D779-C781 PolarHBondContact O-N 2.76Å; D779-C781 VanDerWaalsContact O-N 3.17Å; D779-C781 PolarHBondContact OD1-N 3.46Å; D779-T782 PolarHBondContact OD1-N 2.97Å; D779-T782 PolarHBondContact OD1-OG1 2.82Å; D779-T782 PolarHBondContact OD2-OG1 3.22Å; D779-R952 IonicContact OD2-NE 3.58Å
780	G	92.3	Very high	85.8	Confident	11 Å²	11	58.9 Å²	58.9	11%	0.113	34%	0.343	C	S	.	.	S	Bend	trans	70.5	-4.8	-173.3	0	0	0	0	0	114.7	M764 A777	M764-G780 WeakPolarHBondContact CB-O 3.42Å; M764-G780 PolarHBondContact N-O 3.43Å; A777-G780 PolarHBondContact O-N 3.08Å
781	C	95.6	Very high	87.3	Confident	20 Å²	20	57.7 Å²	57.7	14%	0.135	33%	0.334	C	S	.	.	S	Bend	trans	-103.7	-26	-175.6	-66	0	0	0	0	113.1	D779 R952 L953	D779-C781 PolarHBondContact O-N 2.76Å; D779-C781 VanDerWaalsContact O-N 3.17Å; D779-C781 PolarHBondContact OD1-N 3.46Å; C781-R952 WeakPolarHBondContact O-CA 3.42Å; C781-L953 HydrophobicContact CB-CB 4.13Å; C781-L953 WeakPolarHBondContact O-CB 3.45Å; C781-L953 PolarHBondContact O-N 2.86Å
782	T	95.8	Very high	89	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.2	-173.3	-47.9	0	0	0	0	111.8	A777 D779 R950 R952	A777-T782 PolarHBondContact N-O 3.48Å; D779-T782 PolarHBondContact OD1-N 2.97Å; D779-T782 PolarHBondContact OD1-OG1 2.82Å; D779-T782 PolarHBondContact OD2-OG1 3.22Å; T782-R950 HydrophobicContact CG2-CG 4.31Å; T782-R952 HydrophobicContact CG2-CB 4.41Å; T782-R952 WeakPolarHBondContact OG1-CD 3.48Å
783	I	94.8	Very high	90.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.1	178.8	-40.5	90.6	0	0	0	109.5	M764 L774 L776 L794 W809 I943 L945 R950 V951	M764-I783 HydrophobicContact CG-CD1 3.98Å; M764-I783 HydrophobicContact CG-CG1 4.18Å; L774-I783 HydrophobicContact CB-CG2 4.35Å; L774-I783 HydrophobicContact CD1-CG2 4.41Å; L776-I783 HydrophobicContact CD1-CG1 3.83Å; I783-L794 HydrophobicContact CG2-CD1 4.45Å; I783-W809 HydrophobicContact CD1-CH2 4.31Å; I783-W809 HydrophobicContact CD1-CZ3 3.64Å; I783-I943 HydrophobicContact CD1-CD1 4.45Å; I783-L945 HydrophobicContact CB-CD1 3.99Å; I783-L945 HydrophobicContact CG2-CD1 3.88Å; I783-R950 WeakPolarHBondContact O-CA 3.35Å; I783-V951 PolarHBondContact N-O 2.82Å; I783-V951 PolarHBondContact O-N 2.97Å
784	S	93.3	Very high	90.9	Very high	28 Å²	28	47.8 Å²	47.8	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122	174	-54	0	0	0	0	110.9	K775 R950	K775-S784 PolarHBondContact N-O 2.91Å; K775-S784 PolarHBondContact O-N 3.18Å; S784-R950 WeakPolarHBondContact OG-CD 3.32Å; S784-R950 WeakPolarHBondContact OG-CG 3.45Å
785	A	92.6	Very high	91.2	Very high	8 Å²	8	47.4 Å²	47.4	7%	0.066	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	138	165.5	0	0	0	0	0	110	G773 L774 L945 H947 T949	G773-A785 WeakPolarHBondContact O-CA 3.16Å; L774-A785 HydrophobicContact CD2-CB 3.63Å; A785-L945 HydrophobicContact CB-CB 3.99Å; A785-H947 CarbonylContact C-O 3.53Å; A785-H947 WeakPolarHBondContact CB-O 3.2Å; A785-T949 PolarHBondContact N-O 3.01Å
786	Q	86.2	Confident	91.4	Very high	113 Å²	113	41.3 Å²	41.3	53%	0.528	24%	0.244	S	C	.	.			trans	-96.7	15.8	-168.8	-55.4	-148.3	-76.8	0	0	114.8	G773 K775 Y948	G773-Q786 PolarHBondContact O-N 3.41Å; K775-Q786 HydrophobicContact CB-CG 4.38Å; Q786-Y948 WeakPolarHBondContact O-CE1 3.43Å; Q786-Y948 PolarHBondContact O-OH 2.81Å
787	G	83.4	Confident	91.4	Very high	20 Å²	20	42.9 Å²	42.9	21%	0.206	25%	0.252	C	S	.	.	S	Bend	trans	109.6	-8.7	179.8	0	0	0	0	0	115.2	H947	G787-H947 PolarHBondContact N-O 3.2Å; G787-H947 VanDerWaalsContact N-O 3.16Å
788	D	83	Confident	91.3	Very high	74 Å²	74	41.1 Å²	41.1	40%	0.396	24%	0.237	S	C	.	.			trans	-58.4	140.9	178.3	-76.9	-9.3	0	0	0	112.2	G773 H947	G773-D788 WeakPolarHBondContact CA-OD2 3.49Å; D788-H947 WeakPolarHBondContact O-CA 3.5Å; D788-H947 PolarHBondContact O-N 2.81Å
789	V	85.3	Confident	91.3	Very high	109 Å²	109	34.8 Å²	34.8	66%	0.661	19%	0.194	S	C	*	.	S	Bend	trans	-80.7	-24.7	-176.8	-175.1	0	0	0	0	112.3
790	E	89.4	Confident	91.3	Very high	117 Å²	117	32 Å²	32	55%	0.547	18%	0.179	S	C	.	.	S	Bend	trans	-81.4	130	179	-64.2	-176.6	171.7	0	0	111.1	R792	E790-R792 IonicContact OE2-CZ 2.68Å; E790-R792 IonicContact OE2-NH1 2.75Å; E790-R792 PolarHBondContact OE2-NH1 3.05Å; E790-R792 IonicContact OE2-NH2 3.26Å; E790-R792 PolarHBondContact OE2-NH2 3.45Å
791	D	91.3	Very high	91.1	Very high	21 Å²	21	32.3 Å²	32.3	11%	0.112	18%	0.179	C	C	.	.			trans	-66.2	138.7	170.3	-102.2	-101.1	0	0	0	111.1	D832 K833 M834 S944 L945 S946	D791-D832 CarbonylContact O-C 3.54Å; D791-K833 PolarHBondContact O-N 2.94Å; D791-M834 HydrophobicContact CB-CB 4Å; D791-S944 WeakPolarHBondContact OD1-CB 3.21Å; D791-S944 PolarHBondContact OD1-OG 3.28Å; D791-L945 PolarHBondContact OD1-N 2.98Å; D791-S946 WeakPolarHBondContact OD2-CB 3.5Å; D791-S946 PolarHBondContact OD2-OG 3.39Å
792	R	92.6	Very high	90.7	Very high	32 Å²	32	34.1 Å²	34.1	12%	0.121	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.3	175.1	-62.5	-58.6	-170.4	-127.4	-8.5	110.2	P770 L774 E790 K831 S944 L945	P770-R792 HydrophobicContact CG-CG 4.39Å; L774-R792 HydrophobicContact CD1-CB 3.61Å; L774-R792 HydrophobicContact CD2-CB 4.44Å; L774-R792 HydrophobicContact CG-CB 3.76Å; L774-R792 HydrophobicContact CG-CG 4.34Å; E790-R792 IonicContact OE2-CZ 2.68Å; E790-R792 IonicContact OE2-NH1 2.75Å; E790-R792 PolarHBondContact OE2-NH1 3.05Å; E790-R792 IonicContact OE2-NH2 3.26Å; E790-R792 PolarHBondContact OE2-NH2 3.45Å; R792-K831 WeakPolarHBondContact CA-O 3.36Å; R792-S944 WeakPolarHBondContact O-CA 3.23Å; R792-S944 WeakPolarHBondContact O-CB 3.29Å; R792-L945 PolarHBondContact N-O 3.32Å; R792-L945 PolarHBondContact O-N 3.43Å
793	V	94.1	Very high	90.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137.2	177.2	-170.2	0	0	0	0	110.8	L795 V829 S830 K831 K833 L835 I943	V793-L795 HydrophobicContact CG1-CD2 4.11Å; V793-V829 HydrophobicContact CG1-CG1 4.14Å; V793-S830 WeakPolarHBondContact CG2-O 3.41Å; V793-K831 HydrophobicContact CB-CD 4.11Å; V793-K831 HydrophobicContact CG1-CD 4.48Å; V793-K831 PolarHBondContact N-O 3.05Å; V793-K833 WeakPolarHBondContact CG2-O 3.15Å; V793-L835 HydrophobicContact CG1-CD1 3.97Å; V793-L835 HydrophobicContact CG2-CB 4.44Å; V793-I943 WeakPolarHBondContact CA-O 3.38Å
794	L	94.8	Very high	90.2	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.052	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.3	171.3	-130	147.1	0	0	0	109	M764 N765 L774 I783 I943	M764-L794 HydrophobicContact CB-CD2 3.86Å; M764-L794 VanDerWaalsContact CE-C 3.47Å; M764-L794 HydrophobicContact CE-CB 4.08Å; M764-L794 HydrophobicContact CE-CD2 4.2Å; M764-L794 VanDerWaalsContact CE-O 3.28Å; M764-L794 WeakPolarHBondContact CE-O 3.46Å; N765-L794 VanDerWaalsContact O-CD2 3.29Å; N765-L794 WeakPolarHBondContact O-CD2 3.41Å; L774-L794 HydrophobicContact CB-CD1 4.17Å; L774-L794 HydrophobicContact CD1-CB 4.37Å; L774-L794 HydrophobicContact CD1-CD1 3.77Å; I783-L794 HydrophobicContact CG2-CD1 4.45Å; L794-I943 HydrophobicContact CB-CG2 4.19Å; L794-I943 PolarHBondContact N-O 2.76Å; L794-I943 PolarHBondContact O-N 3.14Å; L794-I943 VanDerWaalsContact O-N 3.13Å
795	L	96.1	Very high	90.2	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.047	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	153.3	-175.8	-57.4	-177	0	0	0	112.1	M764 N765 S768 V793 A825 V829 P941 A942	M764-L795 WeakPolarHBondContact CE-O 3.27Å; N765-L795 PolarHBondContact N-O 3.26Å; S768-L795 PolarHBondContact OG-N 2.76Å; V793-L795 HydrophobicContact CG1-CD2 4.11Å; L795-A825 HydrophobicContact CD2-CB 3.89Å; L795-V829 HydrophobicContact CD1-CG1 4.4Å; L795-V829 HydrophobicContact CD2-CG1 4.03Å; L795-P941 CarbonylContact C-O 3.45Å; L795-P941 WeakPolarHBondContact CA-O 3.17Å; L795-A942 HydrophobicContact CD2-CB 3.63Å
796	G	94.4	Very high	90.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.01	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-62.8	159.3	165.6	0	0	0	0	0	112.4	V763 Y940 P941	V763-G796 CarbonylContact O-C 3.25Å; V763-G796 VanDerWaalsContact O-CA 3.26Å; V763-G796 WeakPolarHBondContact O-CA 3.36Å; G796-Y940 WeakPolarHBondContact O-CD1 3.31Å; G796-P941 PolarHBondContact N-O 3.22Å
797	D	90.8	Very high	91	Very high	75 Å²	75	32 Å²	32	40%	0.401	18%	0.177	S	C	.	.	S	Bend	trans	-77.2	-38.7	171.6	65.1	-23.1	0	0	0	112.5	F762 V763 N765	F762-D797 WeakPolarHBondContact CA-OD1 3.33Å; F762-D797 WeakPolarHBondContact CB-OD1 3.44Å; V763-D797 HydrophobicContact CG2-CB 4.49Å; V763-D797 WeakPolarHBondContact CG2-OD2 3.36Å; V763-D797 PolarHBondContact N-OD1 3.39Å; V763-D797 PolarHBondContact O-N 3.37Å; N765-D797 HydrophobicContact CB-CB 4.31Å
798	V	90.3	Very high	91.7	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.03	18%	0.176	C	C	.	.	S	Bend	trans	-84.3	133.3	173.6	-176.4	0	0	0	0	111.2	F762 F800 P941	F762-V798 HydrophobicContact CB-CB 3.71Å; F762-V798 HydrophobicContact CB-CG2 3.6Å; V798-F800 HydrophobicContact CG1-CD1 4.15Å; V798-F800 HydrophobicContact CG1-CE1 3.65Å; V798-F800 HydrophobicContact CG1-CZ 4.41Å; V798-P941 WeakPolarHBondContact O-CD 3.45Å
799	G	90.8	Very high	92.4	Very high	8 Å²	8	29.4 Å²	29.4	8%	0.082	16%	0.157	C	C	.	.			trans	-114	146.7	170.8	0	0	0	0	0	112.5	Y617 F939	Y617-G799 PolarHBondContact OH-O 3.33Å; G799-F939 WeakPolarHBondContact CA-O 3.41Å
800	F	91.3	Very high	92.9	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-110.5	141.8	-174.1	-51.1	-52.7	0	0	0	112.8	L729 A760 F762 V798 H805 W807 F894 F939 P941	L729-F800 HydrophobicContact CD1-CD1 4.34Å; L729-F800 HydrophobicContact CD1-CE1 3.9Å; A760-F800 HydrophobicContact CB-CE1 3.56Å; A760-F800 HydrophobicContact CB-CZ 3.57Å; F762-F800 HydrophobicContact CD1-CZ 4.11Å; F762-F800 HydrophobicContact CE1-CZ 4.22Å; V798-F800 HydrophobicContact CG1-CD1 4.15Å; V798-F800 HydrophobicContact CG1-CE1 3.65Å; V798-F800 HydrophobicContact CG1-CZ 4.41Å; F800-H805 AromaticContact CD1-CD2 3.82Å; F800-H805 AromaticContact CD1-CE1 3.8Å; F800-H805 AromaticContact CD1-CG 3.89Å; F800-H805 AromaticContact CD1-ND1 3.89Å; F800-H805 AromaticContact CD1-NE2 3.76Å; F800-H805 HydrophobicContact CD2-CB 4.27Å; F800-H805 AromaticContact CD2-CD2 3.98Å; F800-H805 AromaticContact CE1-ND1 3.85Å; F800-H805 HydrophobicContact CE2-CB 4.05Å; F800-H805 AromaticContact CG-CD2 3.6Å; F800-H805 AromaticContact CG-CG 3.93Å; F800-H805 AromaticContact CG-NE2 3.89Å; F800-H805 HydrophobicContact CZ-CB 4.25Å; F800-W807 HydrophobicContact CD2-CZ3 4.21Å; F800-W807 HydrophobicContact CE2-CE3 4.18Å; F800-W807 HydrophobicContact CE2-CH2 4.12Å; F800-W807 AromaticContact CE2-CZ3 3.63Å; F800-W807 HydrophobicContact CE2-CZ3 3.63Å; F800-F894 HydrophobicContact CB-CD1 4.39Å; F800-F894 HydrophobicContact CB-CE1 4.36Å; F800-F894 HydrophobicContact CD2-CD1 4.41Å; F800-F939 PolarHBondContact N-O 3.18Å; F800-F939 PolarHBondContact O-N 3.39Å; F800-P941 HydrophobicContact CD2-CG 4.46Å; F800-P941 HydrophobicContact CE2-CG 3.65Å; F800-P941 HydrophobicContact CZ-CG 4.2Å
801	S	88.2	Confident	93.3	Very high	16 Å²	16	20.6 Å²	20.6	11%	0.112	11%	0.11	C	C	.	.	S	Bend	trans	-140.1	-12	175.6	67.1	0	0	0	0	114.4	H728 N937	H728-S801 PolarHBondContact CE1-OG 3.27Å; S801-N937 WeakPolarHBondContact CB-O 3.38Å
802	E	86.9	Confident	93.4	Very high	59 Å²	59	22.1 Å²	22.1	28%	0.276	12%	0.117	S	C	.	.	S	Bend	trans	-143.5	157.2	177.4	-65.8	-163.4	161.1	0	0	109.6	R707 H805	R707-E802 IonicContact CZ-OE2 3.04Å; R707-E802 IonicContact NH2-OE1 2.74Å; R707-E802 IonicContact NH2-OE2 3.96Å; R707-E802 PolarHBondContact NH2-OE2 3.5Å; E802-H805 PolarHBondContact O-NE2 3Å
803	G	88.5	Confident	93.4	Very high	20 Å²	20	26 Å²	26	21%	0.206	14%	0.137	C	C	.	.	S	Bend	trans	78.2	-175.2	177.8	0	0	0	0	0	115.3	C896	G803-C896 VanDerWaalsContact O-CB 3.23Å; G803-C896 WeakPolarHBondContact O-CB 3.46Å; G803-C896 PolarHBondContact O-N 3.14Å; G803-C896 PolarHBondContact O-SG 2.88Å
804	I	91.8	Very high	93.4	Very high	63 Å²	63	27.5 Å²	27.5	32%	0.323	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130	-179	-47.4	180	0	0	0	108.9	R893 F894 D895 V959	I804-R893 HydrophobicContact CG2-CG 4.47Å; I804-F894 WeakPolarHBondContact CA-O 3.14Å; I804-D895 HydrophobicContact CD1-CB 4.37Å; I804-D895 HydrophobicContact CG1-CB 4.05Å; I804-D895 HydrophobicContact CG2-CB 4.05Å; I804-V959 HydrophobicContact CB-CG2 4.48Å; I804-V959 HydrophobicContact CG2-CG1 3.76Å; I804-V959 HydrophobicContact CG2-CG2 4.14Å; I804-V959 WeakPolarHBondContact O-CG2 3.47Å
805	H	93.7	Very high	93.3	Very high	16 Å²	16	29.2 Å²	29.2	7%	0.074	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.2	-172.6	-53.2	-76.6	0	0	0	110.8	F800 E802 W807 R893 F894	F800-H805 AromaticContact CD1-CD2 3.82Å; F800-H805 AromaticContact CD1-CE1 3.8Å; F800-H805 AromaticContact CD1-CG 3.89Å; F800-H805 AromaticContact CD1-ND1 3.89Å; F800-H805 AromaticContact CD1-NE2 3.76Å; F800-H805 HydrophobicContact CD2-CB 4.27Å; F800-H805 AromaticContact CD2-CD2 3.98Å; F800-H805 AromaticContact CE1-ND1 3.85Å; F800-H805 HydrophobicContact CE2-CB 4.05Å; F800-H805 AromaticContact CG-CD2 3.6Å; F800-H805 AromaticContact CG-CG 3.93Å; F800-H805 AromaticContact CG-NE2 3.89Å; F800-H805 HydrophobicContact CZ-CB 4.25Å; E802-H805 PolarHBondContact O-NE2 3Å; H805-W807 HydrophobicContact CB-CE3 4.41Å; H805-W807 HydrophobicContact CB-CZ3 4.09Å; H805-R893 WeakPolarHBondContact O-CA 3.48Å; H805-F894 PolarHBondContact N-O 3.11Å; H805-F894 PolarHBondContact O-N 3.21Å
806	Y	96.2	Very high	93.1	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.039	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.4	175.5	-178.2	-108.2	0	0	0	110.8	E808 G891 V892 R893 Y904 L957 E958 P960	Y806-E808 HydrophobicContact CE1-CG 3.77Å; Y806-E808 VanDerWaalsContact CE1-OE1 3.3Å; Y806-E808 WeakPolarHBondContact CE1-OE1 3.47Å; Y806-E808 WeakPolarHBondContact OH-CG 3.34Å; Y806-E808 PolarHBondContact OH-OE1 3.3Å; Y806-G891 WeakPolarHBondContact OH-CA 2.82Å; Y806-V892 WeakPolarHBondContact CA-O 3.27Å; Y806-V892 VanDerWaalsContact CD2-O 3.28Å; Y806-V892 WeakPolarHBondContact CD2-O 3.42Å; Y806-R893 HydrophobicContact CD2-CB 3.95Å; Y806-Y904 AromaticContact CE2-CD2 3.91Å; Y806-Y904 HydrophobicContact CE2-CD2 3.91Å; Y806-Y904 HydrophobicContact CE2-CE2 4.38Å; Y806-Y904 HydrophobicContact CE2-CG 4.31Å; Y806-L957 HydrophobicContact CD1-CB 3.78Å; Y806-L957 HydrophobicContact CD1-CD1 4.12Å; Y806-L957 HydrophobicContact CE1-CB 4.32Å; Y806-L957 HydrophobicContact CE1-CD1 3.91Å; Y806-E958 VanDerWaalsContact CD1-O 3.25Å; Y806-E958 WeakPolarHBondContact CD1-O 3.36Å; Y806-P960 HydrophobicContact CD1-CG 4.22Å; Y806-P960 HydrophobicContact CD2-CG 4.1Å; Y806-P960 HydrophobicContact CE1-CG 4.06Å; Y806-P960 HydrophobicContact CE2-CG 3.92Å; Y806-P960 VanDerWaalsContact CG-CD 3.48Å; Y806-P960 HydrophobicContact CG-CG 4.25Å
807	W	97.8	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.9	174	63.3	95.6	0	0	0	110.3	F762 F800 H805 W809 I824 G891 V892 F894 P941 L953	F762-W807 HydrophobicContact CE1-CB 3.85Å; F762-W807 HydrophobicContact CE1-CD2 4.04Å; F762-W807 HydrophobicContact CE1-CE3 4.22Å; F762-W807 AromaticContact CE1-CG 3.91Å; F762-W807 HydrophobicContact CE1-CG 3.91Å; F762-W807 HydrophobicContact CZ-CB 3.82Å; F762-W807 AromaticContact CZ-CD1 3.78Å; F762-W807 AromaticContact CZ-CD2 3.78Å; F762-W807 HydrophobicContact CZ-CD2 3.78Å; F762-W807 HydrophobicContact CZ-CE3 4.38Å; F762-W807 AromaticContact CZ-CG 3.52Å; F762-W807 HydrophobicContact CZ-CG 3.52Å; F800-W807 HydrophobicContact CD2-CZ3 4.21Å; F800-W807 HydrophobicContact CE2-CE3 4.18Å; F800-W807 HydrophobicContact CE2-CH2 4.12Å; F800-W807 AromaticContact CE2-CZ3 3.63Å; F800-W807 HydrophobicContact CE2-CZ3 3.63Å; H805-W807 HydrophobicContact CB-CE3 4.41Å; H805-W807 HydrophobicContact CB-CZ3 4.09Å; W807-W809 AromaticContact CD1-NE1 3.7Å; W807-W809 AromaticContact NE1-CE2 3.95Å; W807-W809 AromaticContact NE1-NE1 3.42Å; W807-I824 HydrophobicContact CH2-CG2 3.63Å; W807-I824 HydrophobicContact CZ2-CG2 3.87Å; W807-G891 WeakPolarHBondContact O-CA 3.44Å; W807-V892 HydrophobicContact CD2-CB 4.15Å; W807-V892 HydrophobicContact CH2-CB 4.5Å; W807-V892 HydrophobicContact CH2-CG1 3.95Å; W807-V892 HydrophobicContact CZ2-CB 3.88Å; W807-V892 HydrophobicContact CZ2-CG1 3.51Å; W807-V892 PolarHBondContact N-O 3.42Å; W807-V892 PolarHBondContact O-N 3.24Å; W807-F894 HydrophobicContact CH2-CB 4.09Å; W807-F894 HydrophobicContact CZ3-CB 4.16Å; W807-P941 HydrophobicContact CH2-CB 4.45Å; W807-P941 HydrophobicContact CH2-CG 4.19Å; W807-P941 HydrophobicContact CZ2-CB 3.78Å; W807-P941 HydrophobicContact CZ2-CG 4Å; W807-L953 HydrophobicContact CB-CD1 4.42Å; W807-L953 HydrophobicContact CG-CD1 4.43Å
808	E	98	Very high	93	Very high	40 Å²	40	33.2 Å²	33.2	19%	0.187	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.6	-176.3	-76.4	175.2	-179.4	0	0	112.7	Y806 I889 I890 V954 L957	Y806-E808 HydrophobicContact CE1-CG 3.77Å; Y806-E808 VanDerWaalsContact CE1-OE1 3.3Å; Y806-E808 WeakPolarHBondContact CE1-OE1 3.47Å; Y806-E808 WeakPolarHBondContact OH-CG 3.34Å; Y806-E808 PolarHBondContact OH-OE1 3.3Å; E808-I889 HydrophobicContact CB-CG2 3.84Å; E808-I889 HydrophobicContact CG-CG2 3.84Å; E808-I890 CarbonylContact C-O 3.55Å; E808-I890 WeakPolarHBondContact CA-O 3.12Å; E808-V954 HydrophobicContact CB-CB 4.26Å; E808-V954 PolarHBondContact N-O 3.41Å; E808-V954 PolarHBondContact O-N 3.36Å; E808-L957 HydrophobicContact CB-CD1 3.81Å; E808-L957 HydrophobicContact CG-CD1 3.61Å
809	W	98	Very high	93.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	111.2	175.6	-66	109.9	0	0	0	109.6	M764 I783 W807 F822 I889 I890 I943 V951 L953	M764-W809 HydrophobicContact CE-CH2 4.07Å; M764-W809 HydrophobicContact CG-CH2 4.46Å; M764-W809 HydrophobicContact SD-CH2 3.65Å; M764-W809 HydrophobicContact SD-CZ3 4.47Å; I783-W809 HydrophobicContact CD1-CH2 4.31Å; I783-W809 HydrophobicContact CD1-CZ3 3.64Å; W807-W809 AromaticContact CD1-NE1 3.7Å; W807-W809 AromaticContact NE1-CE2 3.95Å; W807-W809 AromaticContact NE1-NE1 3.42Å; W809-F822 HydrophobicContact CB-CD1 3.85Å; W809-F822 HydrophobicContact CB-CE1 3.79Å; W809-F822 AromaticContact CD1-CD1 3.39Å; W809-F822 AromaticContact CD1-CG 3.95Å; W809-F822 AromaticContact CD2-CD1 3.88Å; W809-F822 HydrophobicContact CD2-CD1 3.88Å; W809-F822 HydrophobicContact CD2-CE1 4.21Å; W809-F822 AromaticContact CG-CD1 3.45Å; W809-F822 HydrophobicContact CG-CD1 3.45Å; W809-F822 VanDerWaalsContact CG-CD1 3.45Å; W809-F822 AromaticContact CG-CE1 3.82Å; W809-F822 HydrophobicContact CG-CE1 3.82Å; W809-F822 HydrophobicContact CG-CG 4.35Å; W809-F822 AromaticContact NE1-CD1 3.72Å; W809-I889 CarbonylContact O-C 3.55Å; W809-I889 WeakPolarHBondContact O-CA 3.08Å; W809-I890 HydrophobicContact CB-CB 4.33Å; W809-I890 PolarHBondContact N-O 3.18Å; W809-I890 PolarHBondContact O-N 3.21Å; W809-I943 HydrophobicContact CD2-CD1 4.33Å; W809-I943 HydrophobicContact CE3-CD1 3.99Å; W809-I943 HydrophobicContact CH2-CB 3.95Å; W809-I943 HydrophobicContact CH2-CD1 4.1Å; W809-I943 HydrophobicContact CH2-CG2 4.02Å; W809-I943 HydrophobicContact CZ2-CB 3.95Å; W809-I943 HydrophobicContact CZ2-CD1 4.46Å; W809-I943 HydrophobicContact CZ2-CG2 4.47Å; W809-I943 HydrophobicContact CZ3-CD1 3.88Å; W809-V951 HydrophobicContact CB-CG1 3.84Å; W809-V951 HydrophobicContact CD2-CG1 4.45Å; W809-V951 HydrophobicContact CE3-CG1 3.87Å; W809-L953 HydrophobicContact CD2-CD1 4.37Å; W809-L953 HydrophobicContact CE3-CB 4.07Å; W809-L953 HydrophobicContact CE3-CD1 4.17Å; W809-L953 HydrophobicContact CH2-CB 4.39Å; W809-L953 HydrophobicContact CH2-CD1 4.05Å; W809-L953 HydrophobicContact CZ2-CD1 4.22Å; W809-L953 HydrophobicContact CZ3-CB 3.71Å; W809-L953 HydrophobicContact CZ3-CD1 4Å; W809-L953 HydrophobicContact CZ3-CG 4.37Å
810	N	96.9	Very high	93.5	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.2	173.5	-176.3	-16.9	0	0	0	109.9	E812 T887 V951 R952	N810-E812 PolarHBondContact O-N 3.29Å; N810-T887 PolarHBondContact ND2-OG1 3.47Å; N810-T887 WeakPolarHBondContact OD1-CB 3.48Å; N810-T887 PolarHBondContact OD1-OG1 3.06Å; N810-T887 VanDerWaalsContact OD1-OG1 3.07Å; N810-V951 CarbonylContact O-C 3.36Å; N810-V951 VanDerWaalsContact O-CA 3.3Å; N810-V951 WeakPolarHBondContact O-CA 3.4Å; N810-V951 VanDerWaalsContact O-CG1 3.26Å; N810-V951 WeakPolarHBondContact O-CG1 3.45Å; N810-R952 PolarHBondContact N-O 3.11Å; N810-R952 PolarHBondContact O-N 2.98Å
811	V	96.2	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	92.4	177.9	-171	0	0	0	0	110.2	F822 I867 I869 T887 T888 I890 T949 V951	V811-F822 HydrophobicContact CG2-CZ 4.15Å; V811-I867 HydrophobicContact CB-CG2 4.26Å; V811-I867 HydrophobicContact CG1-CD1 4.5Å; V811-I867 HydrophobicContact CG1-CG2 3.91Å; V811-I867 HydrophobicContact CG2-CD1 4.3Å; V811-I869 HydrophobicContact CG1-CD1 4.32Å; V811-I869 WeakPolarHBondContact O-CD1 3.25Å; V811-T887 WeakPolarHBondContact O-CG2 3.44Å; V811-T888 PolarHBondContact N-O 3.47Å; V811-I890 HydrophobicContact CG2-CD1 3.49Å; V811-I890 VanDerWaalsContact CG2-CD1 3.49Å; V811-T949 HydrophobicContact CG1-CG2 4.43Å; V811-V951 HydrophobicContact CG1-CG2 4.37Å; V811-V951 HydrophobicContact CG2-CG1 4.31Å; V811-V951 HydrophobicContact CG2-CG2 4.27Å
812	E	94.1	Very high	94.3	Very high	54 Å²	54	35.3 Å²	35.3	25%	0.252	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	-30	-178.3	-57.7	-173.3	160.8	0	0	113.4	N810 R950 R952	N810-E812 PolarHBondContact O-N 3.29Å; E812-R950 HydrophobicContact CB-CG 4.3Å; E812-R950 PolarHBondContact N-O 3.02Å; E812-R950 IonicContact OE2-CZ 3.22Å; E812-R950 IonicContact OE2-NE 3.58Å; E812-R950 PolarHBondContact OE2-NE 3.09Å; E812-R950 IonicContact OE2-NH2 2.79Å; E812-R950 PolarHBondContact OE2-NH2 2.91Å; E812-R952 HydrophobicContact CG-CB 4.18Å; E812-R952 WeakPolarHBondContact OE1-CB 3.13Å; E812-R952 WeakPolarHBondContact OE1-CD 3.42Å
813	Q	93.7	Very high	94.8	Very high	113 Å²	113	32.5 Å²	32.5	53%	0.528	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141.6	177.1	-158.4	178.5	-0.9	0	0	111.3	I869 T949 R950	Q813-I869 VanDerWaalsContact C-CD1 3.46Å; Q813-I869 VanDerWaalsContact CA-CD1 3.44Å; Q813-T949 CarbonylContact O-C 3.55Å; Q813-T949 WeakPolarHBondContact O-CA 3.47Å; Q813-R950 HydrophobicContact CB-CB 3.73Å; Q813-R950 PolarHBondContact N-O 3.04Å; Q813-R950 VanDerWaalsContact N-O 3.07Å; Q813-R950 PolarHBondContact O-N 3.38Å
814	Y	94	Very high	95.3	Very high	31 Å²	31	31.5 Å²	31.5	12%	0.122	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	129.5	179.4	178.4	-128.6	0	0	0	109.9	G818 P820 N847 S848 I867 I869 Y948 T949	Y814-G818 VanDerWaalsContact CE2-O 3.26Å; Y814-G818 WeakPolarHBondContact CE2-O 3.13Å; Y814-G818 PolarHBondContact OH-O 2.7Å; Y814-P820 HydrophobicContact CE2-CG 4.36Å; Y814-N847 WeakPolarHBondContact OH-CA 3.47Å; Y814-S848 WeakPolarHBondContact CE1-OG 3.4Å; Y814-I867 HydrophobicContact CD1-CB 3.73Å; Y814-I867 HydrophobicContact CD1-CD1 4.47Å; Y814-I867 HydrophobicContact CD1-CG2 3.4Å; Y814-I867 VanDerWaalsContact CD1-CG2 3.4Å; Y814-I867 HydrophobicContact CE1-CB 3.8Å; Y814-I867 HydrophobicContact CE1-CD1 4.38Å; Y814-I867 HydrophobicContact CE1-CG2 4.03Å; Y814-I867 HydrophobicContact CG-CB 4.49Å; Y814-I867 HydrophobicContact CG-CG2 3.89Å; Y814-I869 VanDerWaalsContact N-CD1 3.3Å; Y814-Y948 WeakPolarHBondContact CA-O 3.45Å; Y814-T949 HydrophobicContact CD2-CG2 4.12Å
815	D	92	Very high	95.5	Very high	47 Å²	47	28.5 Å²	28.5	25%	0.251	14%	0.143	S	C	.	.			trans	-92.7	2.8	-178.3	82.6	-21.7	0	0	0	114.8	K817 Y948	D815-K817 VanDerWaalsContact C-N 3.28Å; D815-K817 PolarHBondContact O-N 3.15Å; D815-K817 WeakPolarHBondContact OD1-CB 3.36Å; D815-K817 PolarHBondContact OD1-N 3.06Å; D815-K817 VanDerWaalsContact OD2-CD 3.29Å; D815-K817 WeakPolarHBondContact OD2-CD 3.44Å; D815-K817 WeakPolarHBondContact OD2-CE 3.49Å; D815-K817 IonicContact OD2-NZ 3.13Å; D815-K817 PolarHBondContact OD2-NZ 3.39Å; D815-Y948 PolarHBondContact N-O 3.03Å
816	G	91.9	Very high	95.6	Very high	37 Å²	37	28.7 Å²	28.7	38%	0.381	14%	0.144	S	C	.	.	S	Bend	trans	78.8	0.1	-179.7	0	0	0	0	0	115.5
817	K	92.1	Very high	95.4	Very high	130 Å²	130	30.6 Å²	30.6	57%	0.565	16%	0.162	S	C	*	.	S	Bend	trans	-99.1	-44.4	-177.7	-56.1	179.4	-159.2	130.2	0	113	D815 H947	D815-K817 VanDerWaalsContact C-N 3.28Å; D815-K817 PolarHBondContact O-N 3.15Å; D815-K817 WeakPolarHBondContact OD1-CB 3.36Å; D815-K817 PolarHBondContact OD1-N 3.06Å; D815-K817 VanDerWaalsContact OD2-CD 3.29Å; D815-K817 WeakPolarHBondContact OD2-CD 3.44Å; D815-K817 WeakPolarHBondContact OD2-CE 3.49Å; D815-K817 IonicContact OD2-NZ 3.13Å; D815-K817 PolarHBondContact OD2-NZ 3.39Å; K817-H947 HydrophobicContact CB-CB 4.3Å
818	G	91	Very high	95.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.01	19%	0.191	C	C	.	.			trans	-67.1	163.8	179.4	0	0	0	0	0	113.7	Y814 P820	Y814-G818 VanDerWaalsContact CE2-O 3.26Å; Y814-G818 WeakPolarHBondContact CE2-O 3.13Å; Y814-G818 PolarHBondContact OH-O 2.7Å; G818-P820 VanDerWaalsContact C-CD 3.43Å; G818-P820 WeakPolarHBondContact O-CD 3.37Å
819	Q	94.7	Very high	95	Very high	79 Å²	79	35 Å²	35	37%	0.369	18%	0.183	S	C	.	.			trans	-123.9	65	176.6	-66.5	-176.9	44.7	0	0	110.1	S821 M834 Y845 L846	Q819-S821 PolarHBondContact O-N 3.35Å; Q819-S821 PolarHBondContact O-OG 3.49Å; Q819-M834 HydrophobicContact CB-SD 4.44Å; Q819-Y845 HydrophobicContact CB-CD2 4.24Å; Q819-Y845 VanDerWaalsContact OE1-CE2 3.23Å; Q819-L846 WeakPolarHBondContact CA-O 3.5Å
820	P	96.6	Very high	94.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.			trans	-57.8	135.9	-174.6	27.9	-38.1	0	0	0	111.1	Y814 G818 F822 L846 I867 S944 L945 T949	Y814-P820 HydrophobicContact CE2-CG 4.36Å; G818-P820 VanDerWaalsContact C-CD 3.43Å; G818-P820 WeakPolarHBondContact O-CD 3.37Å; P820-F822 HydrophobicContact CB-CE2 4.04Å; P820-F822 HydrophobicContact CB-CZ 3.93Å; P820-F822 HydrophobicContact CG-CE2 4.29Å; P820-F822 HydrophobicContact CG-CZ 4.41Å; P820-L846 PolarHBondContact O-N 2.76Å; P820-I867 HydrophobicContact CG-CD1 3.38Å; P820-S944 WeakPolarHBondContact CA-O 3.41Å; P820-L945 HydrophobicContact CB-CD2 3.55Å; P820-T949 HydrophobicContact CB-CG2 4.2Å; P820-T949 HydrophobicContact CG-CG2 4.22Å
821	S	97.7	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.8	-171.1	-59.8	0	0	0	0	110.8	Q819 M834 M844 Y845 I943 S944	Q819-S821 PolarHBondContact O-N 3.35Å; Q819-S821 PolarHBondContact O-OG 3.49Å; S821-M834 WeakPolarHBondContact OG-CG 3.21Å; S821-M844 WeakPolarHBondContact CA-O 3.38Å; S821-Y845 WeakPolarHBondContact OG-CB 3.49Å; S821-I943 CarbonylContact O-C 3.52Å; S821-I943 VanDerWaalsContact O-CA 3.27Å; S821-I943 WeakPolarHBondContact O-CA 3.42Å; S821-S944 WeakPolarHBondContact CB-OG 3.5Å; S821-S944 PolarHBondContact N-O 3.35Å; S821-S944 PolarHBondContact O-N 3.06Å
822	F	98.4	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.8	-172.9	-53.5	-82.2	0	0	0	110.5	W809 V811 P820 A843 M844 L846 I890 V892 F903 I943 V951	W809-F822 HydrophobicContact CB-CD1 3.85Å; W809-F822 HydrophobicContact CB-CE1 3.79Å; W809-F822 AromaticContact CD1-CD1 3.39Å; W809-F822 AromaticContact CD1-CG 3.95Å; W809-F822 AromaticContact CD2-CD1 3.88Å; W809-F822 HydrophobicContact CD2-CD1 3.88Å; W809-F822 HydrophobicContact CD2-CE1 4.21Å; W809-F822 AromaticContact CG-CD1 3.45Å; W809-F822 HydrophobicContact CG-CD1 3.45Å; W809-F822 VanDerWaalsContact CG-CD1 3.45Å; W809-F822 AromaticContact CG-CE1 3.82Å; W809-F822 HydrophobicContact CG-CE1 3.82Å; W809-F822 HydrophobicContact CG-CG 4.35Å; W809-F822 AromaticContact NE1-CD1 3.72Å; V811-F822 HydrophobicContact CG2-CZ 4.15Å; P820-F822 HydrophobicContact CB-CE2 4.04Å; P820-F822 HydrophobicContact CB-CZ 3.93Å; P820-F822 HydrophobicContact CG-CE2 4.29Å; P820-F822 HydrophobicContact CG-CZ 4.41Å; F822-A843 CarbonylContact O-C 3.59Å; F822-A843 WeakPolarHBondContact O-CA 3.21Å; F822-A843 WeakPolarHBondContact O-CB 3.43Å; F822-M844 PolarHBondContact N-O 2.9Å; F822-M844 PolarHBondContact O-N 2.86Å; F822-L846 HydrophobicContact CD2-CD1 3.56Å; F822-L846 HydrophobicContact CE2-CD1 3.67Å; F822-I890 HydrophobicContact CB-CG2 4.31Å; F822-I890 HydrophobicContact CD2-CB 4.37Å; F822-I890 HydrophobicContact CD2-CD1 4.42Å; F822-I890 HydrophobicContact CD2-CG1 4.19Å; F822-I890 HydrophobicContact CD2-CG2 4.21Å; F822-I890 HydrophobicContact CE2-CD1 3.89Å; F822-I890 HydrophobicContact CE2-CG1 4.14Å; F822-I890 HydrophobicContact CG-CG2 4.31Å; F822-I890 HydrophobicContact CZ-CD1 4.09Å; F822-V892 HydrophobicContact CB-CG2 4.46Å; F822-F903 WeakPolarHBondContact O-CE1 3.13Å; F822-F903 WeakPolarHBondContact O-CZ 3.41Å; F822-I943 HydrophobicContact CD1-CD1 3.93Å; F822-I943 HydrophobicContact CD1-CG1 3.84Å; F822-I943 HydrophobicContact CE1-CD1 3.55Å; F822-I943 HydrophobicContact CE1-CG1 3.85Å; F822-V951 HydrophobicContact CE1-CG1 3.99Å; F822-V951 HydrophobicContact CE1-CG2 4.32Å; F822-V951 HydrophobicContact CZ-CG1 4.48Å; F822-V951 HydrophobicContact CZ-CG2 4.33Å
823	G	98.2	Very high	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-131.6	174.9	0	0	0	0	0	113.1	W842 A942	G823-W842 WeakPolarHBondContact CA-O 3.42Å; G823-A942 PolarHBondContact N-O 3.48Å; G823-A942 PolarHBondContact O-N 3.29Å
824	I	97.9	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.4	-178.4	64.8	178.2	0	0	0	111.7	W807 W842 F894 L901 L918 F939 Y940	W807-I824 HydrophobicContact CH2-CG2 3.63Å; W807-I824 HydrophobicContact CZ2-CG2 3.87Å; I824-W842 HydrophobicContact CG1-CB 4.18Å; I824-W842 HydrophobicContact CG1-CE3 4.13Å; I824-W842 PolarHBondContact N-O 3.25Å; I824-W842 PolarHBondContact O-N 3.05Å; I824-F894 HydrophobicContact CD1-CD1 4.4Å; I824-F894 HydrophobicContact CD1-CD2 3.68Å; I824-F894 HydrophobicContact CD1-CE1 4.25Å; I824-F894 HydrophobicContact CD1-CE2 3.53Å; I824-F894 HydrophobicContact CD1-CG 4.14Å; I824-F894 HydrophobicContact CD1-CZ 3.83Å; I824-F894 HydrophobicContact CG2-CG 4.4Å; I824-L901 HydrophobicContact CD1-CD1 4.3Å; I824-L901 HydrophobicContact CD1-CD2 4.28Å; I824-L901 HydrophobicContact CG1-CD1 4.46Å; I824-L901 HydrophobicContact CG1-CD2 4Å; I824-L901 HydrophobicContact CG2-CD1 4.08Å; I824-L918 HydrophobicContact CD1-CD1 4.06Å; I824-F939 HydrophobicContact CB-CB 4.46Å; I824-F939 HydrophobicContact CD1-CB 4.21Å; I824-F939 HydrophobicContact CD1-CD1 3.78Å; I824-F939 HydrophobicContact CD1-CE1 4.49Å; I824-F939 HydrophobicContact CD1-CG 4.18Å; I824-F939 HydrophobicContact CG1-CD1 4.38Å; I824-Y940 CarbonylContact C-O 3.33Å; I824-Y940 WeakPolarHBondContact CA-O 3.36Å
825	A	96.8	Very high	94.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.8	172.4	0	0	0	0	0	113.6	L795 V829 L835 F840 F939 Y940 A942	L795-A825 HydrophobicContact CD2-CB 3.89Å; A825-V829 HydrophobicContact CB-CB 3.89Å; A825-V829 HydrophobicContact CB-CG1 3.63Å; A825-V829 HydrophobicContact CB-CG2 4.25Å; A825-L835 HydrophobicContact CB-CD1 4.03Å; A825-F840 CarbonylContact C-O 3.57Å; A825-F840 WeakPolarHBondContact CA-O 3.49Å; A825-F840 WeakPolarHBondContact CB-O 3.3Å; A825-F939 WeakPolarHBondContact O-CA 3.34Å; A825-Y940 PolarHBondContact N-O 3.5Å; A825-Y940 PolarHBondContact O-N 3.1Å; A825-A942 HydrophobicContact CB-CB 3.83Å
826	L	95.2	Very high	94.8	Very high	19 Å²	19	34 Å²	34	10%	0.099	18%	0.18	C	C	.	.			trans	-79.3	155.3	159.2	-55.5	-178.6	0	0	0	109.6	Q828 V829 F840 W842 N937 I938 F939	L826-Q828 PolarHBondContact O-N 3.44Å; L826-V829 WeakPolarHBondContact O-CG1 3.42Å; L826-V829 PolarHBondContact O-N 2.99Å; L826-V829 VanDerWaalsContact O-N 3.09Å; L826-F840 HydrophobicContact CB-CB 4.4Å; L826-F840 HydrophobicContact CD1-CD1 4.32Å; L826-F840 PolarHBondContact N-O 3.11Å; L826-W842 HydrophobicContact CD1-CH2 4.29Å; L826-W842 HydrophobicContact CG-CH2 4.21Å; L826-W842 HydrophobicContact CG-CZ3 4.05Å; L826-N937 HydrophobicContact CD2-CB 3.88Å; L826-I938 VanDerWaalsContact CD2-O 3.3Å; L826-I938 WeakPolarHBondContact CD2-O 3.25Å; L826-F939 HydrophobicContact CD2-CD1 3.64Å; L826-F939 HydrophobicContact CD2-CE1 3.61Å; L826-F939 HydrophobicContact CD2-CG 4.11Å; L826-F939 HydrophobicContact CD2-CZ 4.06Å; L826-F939 HydrophobicContact CG-CD1 4.46Å; L826-F939 HydrophobicContact CG-CE1 4.32Å
827	A	92.6	Very high	95	Very high	51 Å²	51	36.7 Å²	36.7	42%	0.421	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.4	-177.2	0	0	0	0	0	113.7	V829 K831 Y940	A827-V829 VanDerWaalsContact C-N 3.26Å; A827-V829 PolarHBondContact O-N 2.86Å; A827-K831 PolarHBondContact O-NZ 3.22Å; A827-Y940 HydrophobicContact CB-CE2 4.17Å
828	Q	93.5	Very high	95.2	Very high	129 Å²	129	31.6 Å²	31.6	60%	0.603	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.5	-179.3	-63.6	81.9	-3.2	0	0	115.2	L826 F840	L826-Q828 PolarHBondContact O-N 3.44Å; Q828-F840 HydrophobicContact CB-CD1 4Å; Q828-F840 HydrophobicContact CB-CD2 3.96Å; Q828-F840 HydrophobicContact CB-CE1 4.15Å; Q828-F840 HydrophobicContact CB-CE2 4.1Å; Q828-F840 HydrophobicContact CB-CG 3.91Å; Q828-F840 HydrophobicContact CB-CZ 4.2Å
829	V	94.7	Very high	95.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	18%	0.181	C	C	.	.	S	Bend	trans	-55.2	139.7	-175.5	67.3	0	0	0	0	113.6	V793 L795 A825 L826 A827 K831 L835 F840	V793-V829 HydrophobicContact CG1-CG1 4.14Å; L795-V829 HydrophobicContact CD1-CG1 4.4Å; L795-V829 HydrophobicContact CD2-CG1 4.03Å; A825-V829 HydrophobicContact CB-CB 3.89Å; A825-V829 HydrophobicContact CB-CG1 3.63Å; A825-V829 HydrophobicContact CB-CG2 4.25Å; L826-V829 WeakPolarHBondContact O-CG1 3.42Å; L826-V829 PolarHBondContact O-N 2.99Å; L826-V829 VanDerWaalsContact O-N 3.09Å; A827-V829 VanDerWaalsContact C-N 3.26Å; A827-V829 PolarHBondContact O-N 2.86Å; V829-K831 HydrophobicContact CG1-CD 4.12Å; V829-K831 WeakPolarHBondContact O-CD 3.22Å; V829-K831 PolarHBondContact O-N 2.85Å; V829-K831 PolarHBondContact O-NZ 3.22Å; V829-L835 HydrophobicContact CG2-CD1 4.28Å; V829-F840 HydrophobicContact CB-CB 3.89Å; V829-F840 HydrophobicContact CG2-CB 4.41Å
830	S	94.3	Very high	95.4	Very high	22 Å²	22	35.1 Å²	35.1	15%	0.154	18%	0.177	C	C	.	.			trans	-53.8	119.9	172.9	-56	0	0	0	0	109.8	V793 D832 K833 D838	V793-S830 WeakPolarHBondContact CG2-O 3.41Å; S830-D832 VanDerWaalsContact C-N 3.31Å; S830-D832 WeakPolarHBondContact CB-OD1 3.47Å; S830-K833 PolarHBondContact OG-NZ 2.8Å; S830-D838 WeakPolarHBondContact CB-OD2 3.47Å; S830-D838 PolarHBondContact N-OD2 3Å; S830-D838 PolarHBondContact OG-OD2 3.4Å
831	K	93	Very high	95.4	Very high	44 Å²	44	35.1 Å²	35.1	19%	0.191	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.3	-178.5	-54.1	-58.9	-174.6	-58.2	0	113.4	S768 R792 V793 A827 V829	S768-K831 WeakPolarHBondContact O-CD 3.41Å; S768-K831 WeakPolarHBondContact O-CE 3.29Å; S768-K831 WeakPolarHBondContact O-CG 3.46Å; R792-K831 WeakPolarHBondContact CA-O 3.36Å; V793-K831 HydrophobicContact CB-CD 4.11Å; V793-K831 HydrophobicContact CG1-CD 4.48Å; V793-K831 PolarHBondContact N-O 3.05Å; A827-K831 PolarHBondContact O-NZ 3.22Å; V829-K831 HydrophobicContact CG1-CD 4.12Å; V829-K831 WeakPolarHBondContact O-CD 3.22Å; V829-K831 PolarHBondContact O-N 2.85Å; V829-K831 PolarHBondContact O-NZ 3.22Å
832	D	91.4	Very high	95.4	Very high	86 Å²	86	35.3 Å²	35.3	46%	0.46	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	7.5	-173.6	58.3	-52.6	0	0	0	113.8	D791 S830	D791-D832 CarbonylContact O-C 3.54Å; S830-D832 VanDerWaalsContact C-N 3.31Å; S830-D832 WeakPolarHBondContact CB-OD1 3.47Å
833	K	92.2	Very high	95.4	Very high	81 Å²	81	35.3 Å²	35.3	35%	0.352	18%	0.178	S	C	.	.	S	Bend	trans	-136.9	173.1	-170.3	-61.5	179.4	-161	137.3	0	112	D791 V793 S830 Q837	D791-K833 PolarHBondContact O-N 2.94Å; V793-K833 WeakPolarHBondContact CG2-O 3.15Å; S830-K833 PolarHBondContact OG-NZ 2.8Å; K833-Q837 HydrophobicContact CB-CB 4.46Å
834	M	95.1	Very high	95.4	Very high	31 Å²	31	35.3 Å²	35.3	15%	0.153	18%	0.178	C	C	.	.			trans	-68.8	140.7	170.2	-174.8	167.5	49.9	0	0	110.8	D791 Q819 S821 G836 Q837 Y845 L854	D791-M834 HydrophobicContact CB-CB 4Å; Q819-M834 HydrophobicContact CB-SD 4.44Å; S821-M834 WeakPolarHBondContact OG-CG 3.21Å; M834-G836 PolarHBondContact O-N 3.49Å; M834-Q837 HydrophobicContact CB-CB 4.35Å; M834-Q837 VanDerWaalsContact N-OE1 3.12Å; M834-Q837 WeakPolarHBondContact O-CB 3.44Å; M834-Q837 PolarHBondContact O-N 2.97Å; M834-Y845 HydrophobicContact SD-CG 4.48Å; M834-L854 HydrophobicContact CE-CD2 3.69Å; M834-L854 HydrophobicContact CG-CD2 4.2Å; M834-L854 HydrophobicContact SD-CD2 4.22Å
835	L	97.5	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	128.1	-178.7	179	67.5	0	0	0	110.9	V793 A825 V829 A843 L854 A942 S944	V793-L835 HydrophobicContact CG1-CD1 3.97Å; V793-L835 HydrophobicContact CG2-CB 4.44Å; A825-L835 HydrophobicContact CB-CD1 4.03Å; V829-L835 HydrophobicContact CG2-CD1 4.28Å; L835-A843 HydrophobicContact CB-CB 4.29Å; L835-A843 HydrophobicContact CD2-CB 3.85Å; L835-A843 HydrophobicContact CG-CB 3.85Å; L835-A843 WeakPolarHBondContact O-CB 3.15Å; L835-L854 WeakPolarHBondContact O-CD2 3.46Å; L835-A942 HydrophobicContact CD1-CB 3.65Å; L835-A942 HydrophobicContact CD2-CB 3.59Å; L835-A942 WeakPolarHBondContact CD2-O 3.35Å; L835-A942 HydrophobicContact CG-CB 4.28Å; L835-S944 PolarHBondContact N-OG 3.15Å
836	G	96.7	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	0.8	-174.7	0	0	0	0	0	114.5	M834 D838 G841 H855 R856 G857	M834-G836 PolarHBondContact O-N 3.49Å; G836-D838 PolarHBondContact O-N 3.2Å; G836-G841 WeakPolarHBondContact CA-O 3.27Å; G836-H855 CarbonylContact O-C 3.48Å; G836-H855 WeakPolarHBondContact O-CA 3.37Å; G836-H855 PolarHBondContact O-N 3.15Å; G836-R856 PolarHBondContact O-N 2.82Å; G836-G857 PolarHBondContact O-N 3.14Å
837	Q	96.5	Very high	95.4	Very high	93 Å²	93	37.3 Å²	37.3	44%	0.435	19%	0.187	S	C	.	.	S	Bend	trans	-74.7	-9.4	173.3	-159.3	167.1	30.1	0	0	113.2	K833 M834 G857	K833-Q837 HydrophobicContact CB-CB 4.46Å; M834-Q837 HydrophobicContact CB-CB 4.35Å; M834-Q837 VanDerWaalsContact N-OE1 3.12Å; M834-Q837 WeakPolarHBondContact O-CB 3.44Å; M834-Q837 PolarHBondContact O-N 2.97Å; Q837-G857 PolarHBondContact O-N 2.95Å
838	D	95.3	Very high	95.5	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.123	19%	0.185	C	C	.	.	S	Bend	trans	-121.8	-172.4	170.4	73	18.1	0	0	0	112.1	S830 G836 F840 G841 R856	S830-D838 WeakPolarHBondContact CB-OD2 3.47Å; S830-D838 PolarHBondContact N-OD2 3Å; S830-D838 PolarHBondContact OG-OD2 3.4Å; G836-D838 PolarHBondContact O-N 3.2Å; D838-F840 PolarHBondContact OD1-N 3.32Å; D838-G841 PolarHBondContact OD1-N 3.21Å; D838-R856 VanDerWaalsContact O-CA 3.3Å; D838-R856 WeakPolarHBondContact O-CA 3.39Å; D838-R856 PolarHBondContact O-N 3.17Å
839	E	94.8	Very high	95.5	Very high	88 Å²	88	39 Å²	39	41%	0.411	19%	0.19	S	C	.	.	S	Bend	trans	-86.1	2	-177.8	77.4	175.2	139.5	0	0	116.2	H855 R856	E839-H855 PolarHBondContact O-CE1 3.24Å; E839-R856 HydrophobicContact CB-CG 3.76Å; E839-R856 IonicContact OE2-CZ 3.55Å; E839-R856 IonicContact OE2-NH1 2.74Å; E839-R856 PolarHBondContact OE2-NH1 3.11Å; E839-R856 IonicContact OE2-NH2 3.14Å; E839-R856 PolarHBondContact OE2-NH2 3.39Å
840	F	95.9	Very high	95.6	Very high	66 Å²	66	42.3 Å²	42.3	29%	0.289	20%	0.202	S	C	.	.	S	Bend	trans	-108.8	-11.2	-176.4	-56.8	-60	0	0	0	113.3	A825 L826 Q828 V829 D838 W842	A825-F840 CarbonylContact C-O 3.57Å; A825-F840 WeakPolarHBondContact CA-O 3.49Å; A825-F840 WeakPolarHBondContact CB-O 3.3Å; L826-F840 HydrophobicContact CB-CB 4.4Å; L826-F840 HydrophobicContact CD1-CD1 4.32Å; L826-F840 PolarHBondContact N-O 3.11Å; Q828-F840 HydrophobicContact CB-CD1 4Å; Q828-F840 HydrophobicContact CB-CD2 3.96Å; Q828-F840 HydrophobicContact CB-CE1 4.15Å; Q828-F840 HydrophobicContact CB-CE2 4.1Å; Q828-F840 HydrophobicContact CB-CG 3.91Å; Q828-F840 HydrophobicContact CB-CZ 4.2Å; V829-F840 HydrophobicContact CB-CB 3.89Å; V829-F840 HydrophobicContact CG2-CB 4.41Å; D838-F840 PolarHBondContact OD1-N 3.32Å; F840-W842 WeakPolarHBondContact O-CZ3 3.47Å
841	G	96.6	Very high	95.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	152.1	172.7	0	0	0	0	0	113.8	G836 D838 H855	G836-G841 WeakPolarHBondContact CA-O 3.27Å; D838-G841 PolarHBondContact OD1-N 3.21Å; G841-H855 PolarHBondContact O-ND1 3.49Å
842	W	97.9	Very high	96	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	123.2	170.8	-62.9	-92.8	0	0	0	108.9	G823 I824 L826 F840 H855 L901 F915 L918 I920 F939	G823-W842 WeakPolarHBondContact CA-O 3.42Å; I824-W842 HydrophobicContact CG1-CB 4.18Å; I824-W842 HydrophobicContact CG1-CE3 4.13Å; I824-W842 PolarHBondContact N-O 3.25Å; I824-W842 PolarHBondContact O-N 3.05Å; L826-W842 HydrophobicContact CD1-CH2 4.29Å; L826-W842 HydrophobicContact CG-CH2 4.21Å; L826-W842 HydrophobicContact CG-CZ3 4.05Å; F840-W842 WeakPolarHBondContact O-CZ3 3.47Å; W842-H855 AromaticContact CD1-CD2 3.92Å; W842-H855 AromaticContact CD1-CE1 3.79Å; W842-H855 AromaticContact CD1-CG 3.48Å; W842-H855 VanDerWaalsContact CD1-CG 3.48Å; W842-H855 AromaticContact CD1-ND1 3.41Å; W842-H855 AromaticContact CE2-CE1 3.25Å; W842-H855 AromaticContact CE2-ND1 3.56Å; W842-H855 AromaticContact CE2-NE2 3.82Å; W842-H855 AromaticContact CG-ND1 3.94Å; W842-H855 AromaticContact CZ2-CE1 3.43Å; W842-H855 VanDerWaalsContact CZ2-CE1 3.43Å; W842-H855 WeakPolarHBondContact CZ2-CE1 3.32Å; W842-H855 AromaticContact NE1-CD2 3.49Å; W842-H855 PolarHBondContact NE1-CD2 2.94Å; W842-H855 AromaticContact NE1-CE1 3.04Å; W842-H855 PolarHBondContact NE1-CE1 3.17Å; W842-H855 AromaticContact NE1-CG 3.44Å; W842-H855 AromaticContact NE1-ND1 3.16Å; W842-H855 PolarHBondContact NE1-ND1 3.13Å; W842-H855 VanDerWaalsContact NE1-ND1 3.16Å; W842-H855 AromaticContact NE1-NE2 3.24Å; W842-H855 PolarHBondContact NE1-NE2 2.91Å; W842-L901 HydrophobicContact CB-CD2 3.99Å; W842-F915 HydrophobicContact CB-CD2 3.92Å; W842-F915 HydrophobicContact CB-CE2 3.9Å; W842-F915 HydrophobicContact CB-CG 4.37Å; W842-F915 HydrophobicContact CB-CZ 4.33Å; W842-F915 AromaticContact CD1-CD1 3.64Å; W842-F915 AromaticContact CD1-CE1 3.9Å; W842-F915 AromaticContact CD1-CG 3.8Å; W842-F915 HydrophobicContact CG-CD2 4.44Å; W842-F915 HydrophobicContact CG-CG 4.41Å; W842-L918 VanDerWaalsContact CD1-CD2 3.46Å; W842-L918 HydrophobicContact CD2-CD2 3.73Å; W842-L918 HydrophobicContact CG-CD2 3.71Å; W842-L918 HydrophobicContact CZ2-CD2 4.27Å; W842-L918 VanDerWaalsContact NE1-CD2 3.31Å; W842-I920 HydrophobicContact CH2-CD1 4.18Å; W842-I920 HydrophobicContact CZ2-CD1 3.77Å; W842-F939 HydrophobicContact CE3-CD1 4.37Å; W842-F939 HydrophobicContact CE3-CE1 4.26Å; W842-F939 AromaticContact CH2-CE1 3.99Å; W842-F939 HydrophobicContact CH2-CE1 3.99Å; W842-F939 AromaticContact CZ3-CD1 3.98Å; W842-F939 HydrophobicContact CZ3-CD1 3.98Å; W842-F939 AromaticContact CZ3-CE1 3.67Å; W842-F939 HydrophobicContact CZ3-CE1 3.67Å
843	A	98.3	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	165.3	-171.8	0	0	0	0	0	114.8	F822 L835 F853 L854	F822-A843 CarbonylContact O-C 3.59Å; F822-A843 WeakPolarHBondContact O-CA 3.21Å; F822-A843 WeakPolarHBondContact O-CB 3.43Å; L835-A843 HydrophobicContact CB-CB 4.29Å; L835-A843 HydrophobicContact CD2-CB 3.85Å; L835-A843 HydrophobicContact CG-CB 3.85Å; L835-A843 WeakPolarHBondContact O-CB 3.15Å; A843-F853 CarbonylContact O-C 3.07Å; A843-F853 WeakPolarHBondContact O-CA 3.2Å; A843-L854 PolarHBondContact N-O 3.45Å; A843-L854 PolarHBondContact O-N 3.23Å
844	M	98.2	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.3	151.2	-179.7	169.9	67.4	0	0	108.8	S821 F822 L846 S851 W852 F853 I890 F903	S821-M844 WeakPolarHBondContact CA-O 3.38Å; F822-M844 PolarHBondContact N-O 2.9Å; F822-M844 PolarHBondContact O-N 2.86Å; M844-L846 HydrophobicContact CE-CD1 4.14Å; M844-L846 HydrophobicContact CE-CD2 4.25Å; M844-L846 HydrophobicContact CE-CG 4.46Å; M844-L846 HydrophobicContact CG-CD1 4.25Å; M844-L846 HydrophobicContact CG-CG 4.42Å; M844-S851 PolarHBondContact SD-OG 3.28Å; M844-W852 CarbonylContact C-O 3.58Å; M844-W852 VanDerWaalsContact CA-O 3.28Å; M844-W852 WeakPolarHBondContact CA-O 3.46Å; M844-W852 WeakPolarHBondContact CG-O 3.44Å; M844-F853 HydrophobicContact CB-CD1 3.95Å; M844-F853 HydrophobicContact CB-CE1 4.33Å; M844-F853 HydrophobicContact CG-CD1 4.08Å; M844-F853 HydrophobicContact CG-CE1 4.25Å; M844-F853 HydrophobicContact SD-CD1 4.34Å; M844-F853 HydrophobicContact SD-CE1 3.9Å; M844-I890 HydrophobicContact CE-CG2 3.71Å; M844-F903 HydrophobicContact CB-CD1 3.94Å; M844-F903 HydrophobicContact CB-CD2 3.71Å; M844-F903 HydrophobicContact CB-CE1 3.94Å; M844-F903 HydrophobicContact CB-CE2 3.7Å; M844-F903 HydrophobicContact CB-CG 3.83Å; M844-F903 HydrophobicContact CB-CZ 3.83Å; M844-F903 HydrophobicContact CE-CB 3.57Å; M844-F903 HydrophobicContact CE-CD1 4.08Å; M844-F903 HydrophobicContact CE-CG 3.88Å; M844-F903 VanDerWaalsContact N-CZ 3.31Å; M844-F903 HydrophobicContact SD-CB 3.99Å; M844-F903 HydrophobicContact SD-CD2 4.46Å; M844-F903 HydrophobicContact SD-CG 4.18Å
845	Y	97.7	Very high	96.6	Very high	18 Å²	18	32.8 Å²	32.8	7%	0.071	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	148.1	170.4	77.3	-93.4	0	0	0	110.7	Q819 S821 M834 S851 W852 L854 H859	Q819-Y845 HydrophobicContact CB-CD2 4.24Å; Q819-Y845 VanDerWaalsContact OE1-CE2 3.23Å; S821-Y845 WeakPolarHBondContact OG-CB 3.49Å; M834-Y845 HydrophobicContact SD-CG 4.48Å; Y845-S851 VanDerWaalsContact O-CA 3.24Å; Y845-S851 WeakPolarHBondContact O-CA 3.42Å; Y845-W852 HydrophobicContact CD1-CB 3.97Å; Y845-W852 HydrophobicContact CD2-CE3 4.04Å; Y845-W852 HydrophobicContact CE1-CB 3.46Å; Y845-W852 VanDerWaalsContact CE1-CB 3.46Å; Y845-W852 HydrophobicContact CE1-CG 4.07Å; Y845-W852 HydrophobicContact CE2-CB 4.34Å; Y845-W852 AromaticContact CE2-CD2 3.91Å; Y845-W852 HydrophobicContact CE2-CD2 3.91Å; Y845-W852 AromaticContact CE2-CE3 3.47Å; Y845-W852 HydrophobicContact CE2-CE3 3.47Å; Y845-W852 VanDerWaalsContact CE2-CE3 3.47Å; Y845-W852 HydrophobicContact CE2-CG 4.32Å; Y845-W852 HydrophobicContact CE2-CZ3 4.03Å; Y845-W852 AromaticContact CZ-CD2 3.78Å; Y845-W852 AromaticContact CZ-CE3 3.86Å; Y845-W852 AromaticContact CZ-CG 3.75Å; Y845-W852 PolarHBondContact N-O 2.85Å; Y845-W852 PolarHBondContact O-N 3.35Å; Y845-L854 HydrophobicContact CD1-CB 3.78Å; Y845-L854 HydrophobicContact CD1-CD2 3.87Å; Y845-L854 HydrophobicContact CD1-CG 4.38Å; Y845-L854 HydrophobicContact CE1-CB 4.11Å; Y845-L854 HydrophobicContact CE1-CD2 4.23Å; Y845-H859 HydrophobicContact CE1-CB 4.03Å; Y845-H859 PolarHBondContact OH-ND1 3.28Å
846	L	97.1	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.9	-174.8	-55.6	95.4	0	0	0	111.9	Q819 P820 F822 M844 R850 I867 I890 L905	Q819-L846 WeakPolarHBondContact CA-O 3.5Å; P820-L846 PolarHBondContact O-N 2.76Å; F822-L846 HydrophobicContact CD2-CD1 3.56Å; F822-L846 HydrophobicContact CE2-CD1 3.67Å; M844-L846 HydrophobicContact CE-CD1 4.14Å; M844-L846 HydrophobicContact CE-CD2 4.25Å; M844-L846 HydrophobicContact CE-CG 4.46Å; M844-L846 HydrophobicContact CG-CD1 4.25Å; M844-L846 HydrophobicContact CG-CG 4.42Å; L846-R850 WeakPolarHBondContact CA-O 3.33Å; L846-I867 HydrophobicContact CB-CD1 4.08Å; L846-I867 HydrophobicContact CB-CG1 4.02Å; L846-I867 HydrophobicContact CD2-CG1 4.48Å; L846-I890 HydrophobicContact CD1-CG1 4.14Å; L846-I890 HydrophobicContact CD2-CG1 4.32Å; L846-L905 HydrophobicContact CD2-CD1 4.05Å
847	N	94.9	Very high	96.5	Very high	43 Å²	43	40.9 Å²	40.9	23%	0.23	20%	0.196	C	C	.	.			trans	-123.5	-171.3	160.4	70.1	28.1	0	0	0	110.7	Y814 K849 R850 G866 I867	Y814-N847 WeakPolarHBondContact OH-CA 3.47Å; N847-K849 PolarHBondContact O-N 3.43Å; N847-K849 PolarHBondContact OD1-N 3.31Å; N847-R850 PolarHBondContact N-O 3.05Å; N847-R850 PolarHBondContact OD1-N 3.01Å; N847-R850 PolarHBondContact OD1-O 3.38Å; N847-G866 CarbonylContact O-C 3.51Å; N847-G866 WeakPolarHBondContact O-CA 3.35Å; N847-I867 PolarHBondContact O-N 3.45Å
848	S	94.6	Very high	96.5	Very high	54 Å²	54	43.8 Å²	43.8	38%	0.378	21%	0.21	S	C	.	.	S	Bend	trans	-59.8	-5.1	179.9	-45.2	0	0	0	0	116.4	Y814 I867	Y814-S848 WeakPolarHBondContact CE1-OG 3.4Å; S848-I867 WeakPolarHBondContact CA-O 3.48Å
849	K	93.7	Very high	96.5	Very high	161 Å²	161	48.6 Å²	48.6	70%	0.7	23%	0.231	S	C	*	.	S	Bend	trans	-135	-35.3	-174.6	-64	-175.4	178.8	-179.4	0	114.8	N847 G865	N847-K849 PolarHBondContact O-N 3.43Å; N847-K849 PolarHBondContact OD1-N 3.31Å; K849-G865 CarbonylContact O-C 3.44Å; K849-G865 PolarHBondContact O-N 3.29Å
850	R	95.9	Very high	96.4	Very high	73 Å²	73	49.4 Å²	49.4	28%	0.275	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	160.9	-169	-63.5	-163.5	173.4	-167.6	-9	112.7	L846 N847 W852 R862 T863 D864 G865	L846-R850 WeakPolarHBondContact CA-O 3.33Å; N847-R850 PolarHBondContact N-O 3.05Å; N847-R850 PolarHBondContact OD1-N 3.01Å; N847-R850 PolarHBondContact OD1-O 3.38Å; R850-W852 HydrophobicContact CB-CE3 4.45Å; R850-W852 HydrophobicContact CB-CH2 3.93Å; R850-W852 HydrophobicContact CB-CZ3 3.85Å; R850-R862 VanDerWaalsContact CD-NE 3.35Å; R850-T863 WeakPolarHBondContact CA-O 3.14Å; R850-T863 WeakPolarHBondContact CB-O 3.26Å; R850-D864 IonicContact CZ-OD1 2.68Å; R850-D864 IonicContact CZ-OD2 3.3Å; R850-D864 VanDerWaalsContact CZ-OD2 3.26Å; R850-D864 IonicContact NE-OD1 2.69Å; R850-D864 PolarHBondContact NE-OD1 3.28Å; R850-D864 IonicContact NE-OD2 2.82Å; R850-D864 IonicContact NH2-OD1 2.77Å; R850-D864 PolarHBondContact NH2-OD1 3.43Å; R850-D864 IonicContact NH2-OD2 3.58Å; R850-D864 PolarHBondContact NH2-OD2 3.49Å; R850-G865 CarbonylContact C-O 3.59Å; R850-G865 WeakPolarHBondContact CA-O 3.44Å
851	S	97.2	Very high	96.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	164.7	168.5	74.5	0	0	0	0	112.5	M844 Y845 R862 T863 G865 H910	M844-S851 PolarHBondContact SD-OG 3.28Å; Y845-S851 VanDerWaalsContact O-CA 3.24Å; Y845-S851 WeakPolarHBondContact O-CA 3.42Å; S851-R862 WeakPolarHBondContact O-CA 3.2Å; S851-T863 PolarHBondContact N-O 2.51Å; S851-T863 PolarHBondContact O-N 2.8Å; S851-G865 PolarHBondContact N-O 3.42Å; S851-G865 VanDerWaalsContact N-O 3.13Å; S851-H910 PolarHBondContact OG-CD2 3.41Å; S851-H910 PolarHBondContact OG-NE2 3.48Å
852	W	97.6	Very high	96.2	Very high	30 Å²	30	56.4 Å²	56.4	11%	0.114	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	150.6	174	-65.3	-107.6	0	0	0	109	M844 Y845 R850 R860 R862	M844-W852 CarbonylContact C-O 3.58Å; M844-W852 VanDerWaalsContact CA-O 3.28Å; M844-W852 WeakPolarHBondContact CA-O 3.46Å; M844-W852 WeakPolarHBondContact CG-O 3.44Å; Y845-W852 HydrophobicContact CD1-CB 3.97Å; Y845-W852 HydrophobicContact CD2-CE3 4.04Å; Y845-W852 HydrophobicContact CE1-CB 3.46Å; Y845-W852 VanDerWaalsContact CE1-CB 3.46Å; Y845-W852 HydrophobicContact CE1-CG 4.07Å; Y845-W852 HydrophobicContact CE2-CB 4.34Å; Y845-W852 AromaticContact CE2-CD2 3.91Å; Y845-W852 HydrophobicContact CE2-CD2 3.91Å; Y845-W852 AromaticContact CE2-CE3 3.47Å; Y845-W852 HydrophobicContact CE2-CE3 3.47Å; Y845-W852 VanDerWaalsContact CE2-CE3 3.47Å; Y845-W852 HydrophobicContact CE2-CG 4.32Å; Y845-W852 HydrophobicContact CE2-CZ3 4.03Å; Y845-W852 AromaticContact CZ-CD2 3.78Å; Y845-W852 AromaticContact CZ-CE3 3.86Å; Y845-W852 AromaticContact CZ-CG 3.75Å; Y845-W852 PolarHBondContact N-O 2.85Å; Y845-W852 PolarHBondContact O-N 3.35Å; R850-W852 HydrophobicContact CB-CE3 4.45Å; R850-W852 HydrophobicContact CB-CH2 3.93Å; R850-W852 HydrophobicContact CB-CZ3 3.85Å; W852-R860 WeakPolarHBondContact CA-O 3.46Å; W852-R862 HydrophobicContact CD2-CG 4.28Å; W852-R862 HydrophobicContact CG-CB 4.41Å; W852-R862 HydrophobicContact CG-CG 4.49Å; W852-R862 HydrophobicContact CZ2-CG 4.02Å; W852-R862 VanDerWaalsContact CZ2-NE 3.27Å
853	F	97.9	Very high	96	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	148.2	166	-49.8	-39.8	0	0	0	110.6	A843 M844 H859 R860 D861 F903 P912 A914 F915	A843-F853 CarbonylContact O-C 3.07Å; A843-F853 WeakPolarHBondContact O-CA 3.2Å; M844-F853 HydrophobicContact CB-CD1 3.95Å; M844-F853 HydrophobicContact CB-CE1 4.33Å; M844-F853 HydrophobicContact CG-CD1 4.08Å; M844-F853 HydrophobicContact CG-CE1 4.25Å; M844-F853 HydrophobicContact SD-CD1 4.34Å; M844-F853 HydrophobicContact SD-CE1 3.9Å; F853-H859 CarbonylContact O-C 3.5Å; F853-H859 WeakPolarHBondContact O-CA 3.44Å; F853-R860 HydrophobicContact CB-CG 3.87Å; F853-R860 HydrophobicContact CD2-CG 4.4Å; F853-R860 PolarHBondContact N-O 3.44Å; F853-R860 PolarHBondContact O-N 3.49Å; F853-D861 HydrophobicContact CD2-CB 3.59Å; F853-D861 HydrophobicContact CE2-CB 3.7Å; F853-F903 AromaticContact CD1-CD2 3.99Å; F853-F903 HydrophobicContact CD1-CD2 3.99Å; F853-F903 HydrophobicContact CD1-CE2 4.19Å; F853-F903 AromaticContact CE1-CD2 3.71Å; F853-F903 HydrophobicContact CE1-CD2 3.71Å; F853-F903 HydrophobicContact CE1-CE2 4.37Å; F853-P912 HydrophobicContact CE2-CG 4.18Å; F853-P912 WeakPolarHBondContact CZ-O 3.39Å; F853-A914 HydrophobicContact CB-CB 4.43Å; F853-A914 HydrophobicContact CD1-CB 3.59Å; F853-A914 HydrophobicContact CD2-CB 3.62Å; F853-A914 HydrophobicContact CE1-CB 3.62Å; F853-A914 HydrophobicContact CE2-CB 3.65Å; F853-A914 HydrophobicContact CG-CB 3.61Å; F853-A914 HydrophobicContact CZ-CB 3.64Å; F853-F915 HydrophobicContact CB-CE2 4.22Å; F853-F915 HydrophobicContact CB-CZ 3.99Å
854	L	97.8	Very high	95.8	Very high	6 Å²	6	63 Å²	63	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	129.4	-173.1	178.4	63.3	0	0	0	112.5	M834 L835 A843 Y845 E858 H859 F915	M834-L854 HydrophobicContact CE-CD2 3.69Å; M834-L854 HydrophobicContact CG-CD2 4.2Å; M834-L854 HydrophobicContact SD-CD2 4.22Å; L835-L854 WeakPolarHBondContact O-CD2 3.46Å; A843-L854 PolarHBondContact N-O 3.45Å; A843-L854 PolarHBondContact O-N 3.23Å; Y845-L854 HydrophobicContact CD1-CB 3.78Å; Y845-L854 HydrophobicContact CD1-CD2 3.87Å; Y845-L854 HydrophobicContact CD1-CG 4.38Å; Y845-L854 HydrophobicContact CE1-CB 4.11Å; Y845-L854 HydrophobicContact CE1-CD2 4.23Å; L854-E858 WeakPolarHBondContact CA-O 3.33Å; L854-H859 HydrophobicContact CD1-CB 4.48Å; L854-F915 WeakPolarHBondContact O-CZ 3.41Å
855	H	96.9	Very high	95.3	Very high	29 Å²	29	64 Å²	64	13%	0.134	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	142.9	171.5	176.4	57.1	0	0	0	109.4	G836 E839 G841 W842 G857 E858 F915	G836-H855 CarbonylContact O-C 3.48Å; G836-H855 WeakPolarHBondContact O-CA 3.37Å; G836-H855 PolarHBondContact O-N 3.15Å; E839-H855 PolarHBondContact O-CE1 3.24Å; G841-H855 PolarHBondContact O-ND1 3.49Å; W842-H855 AromaticContact CD1-CD2 3.92Å; W842-H855 AromaticContact CD1-CE1 3.79Å; W842-H855 AromaticContact CD1-CG 3.48Å; W842-H855 VanDerWaalsContact CD1-CG 3.48Å; W842-H855 AromaticContact CD1-ND1 3.41Å; W842-H855 AromaticContact CE2-CE1 3.25Å; W842-H855 AromaticContact CE2-ND1 3.56Å; W842-H855 AromaticContact CE2-NE2 3.82Å; W842-H855 AromaticContact CG-ND1 3.94Å; W842-H855 AromaticContact CZ2-CE1 3.43Å; W842-H855 VanDerWaalsContact CZ2-CE1 3.43Å; W842-H855 WeakPolarHBondContact CZ2-CE1 3.32Å; W842-H855 AromaticContact NE1-CD2 3.49Å; W842-H855 PolarHBondContact NE1-CD2 2.94Å; W842-H855 AromaticContact NE1-CE1 3.04Å; W842-H855 PolarHBondContact NE1-CE1 3.17Å; W842-H855 AromaticContact NE1-CG 3.44Å; W842-H855 AromaticContact NE1-ND1 3.16Å; W842-H855 PolarHBondContact NE1-ND1 3.13Å; W842-H855 VanDerWaalsContact NE1-ND1 3.16Å; W842-H855 AromaticContact NE1-NE2 3.24Å; W842-H855 PolarHBondContact NE1-NE2 2.91Å; H855-G857 PolarHBondContact O-N 2.92Å; H855-G857 VanDerWaalsContact O-N 3.07Å; H855-E858 PolarHBondContact N-O 2.87Å; H855-E858 PolarHBondContact O-N 3.41Å; H855-F915 HydrophobicContact CB-CD1 4.46Å; H855-F915 HydrophobicContact CB-CE1 3.56Å; H855-F915 HydrophobicContact CB-CZ 3.95Å
856	R	96	Very high	95	Very high	128 Å²	128	63.4 Å²	63.4	48%	0.483	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	21	-177.3	-64.5	167.2	-175.2	-92.6	-12.6	114.2	G836 D838 E839 E858	G836-R856 PolarHBondContact O-N 2.82Å; D838-R856 VanDerWaalsContact O-CA 3.3Å; D838-R856 WeakPolarHBondContact O-CA 3.39Å; D838-R856 PolarHBondContact O-N 3.17Å; E839-R856 HydrophobicContact CB-CG 3.76Å; E839-R856 IonicContact OE2-CZ 3.55Å; E839-R856 IonicContact OE2-NH1 2.74Å; E839-R856 PolarHBondContact OE2-NH1 3.11Å; E839-R856 IonicContact OE2-NH2 3.14Å; E839-R856 PolarHBondContact OE2-NH2 3.39Å; R856-E858 PolarHBondContact O-N 3.1Å
857	G	95.7	Very high	94.9	Very high	41 Å²	41	63.7 Å²	63.7	42%	0.423	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-5.1	-171.8	0	0	0	0	0	115	G836 Q837 H855	G836-G857 PolarHBondContact O-N 3.14Å; Q837-G857 PolarHBondContact O-N 2.95Å; H855-G857 PolarHBondContact O-N 2.92Å; H855-G857 VanDerWaalsContact O-N 3.07Å
858	E	96.1	Very high	94.8	Very high	155 Å²	155	68 Å²	68	72%	0.724	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.9	175.2	-65.1	-168	160.3	0	0	110.7	L854 H855 R856	L854-E858 WeakPolarHBondContact CA-O 3.33Å; H855-E858 PolarHBondContact N-O 2.87Å; H855-E858 PolarHBondContact O-N 3.41Å; R856-E858 PolarHBondContact O-N 3.1Å
859	H	95.1	Very high	94.3	Very high	124 Å²	124	68 Å²	68	57%	0.574	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.9	175.7	65.4	174.9	0	0	0	112.6	Y845 F853 L854	Y845-H859 HydrophobicContact CE1-CB 4.03Å; Y845-H859 PolarHBondContact OH-ND1 3.28Å; F853-H859 CarbonylContact O-C 3.5Å; F853-H859 WeakPolarHBondContact O-CA 3.44Å; L854-H859 HydrophobicContact CD1-CB 4.48Å
860	R	93.8	Very high	93.5	Very high	104 Å²	104	64.2 Å²	64.2	39%	0.392	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	170	-177.7	71.9	-179	-149.8	102	-10.4	113.1	W852 F853 R862 A914	W852-R860 WeakPolarHBondContact CA-O 3.46Å; F853-R860 HydrophobicContact CB-CG 3.87Å; F853-R860 HydrophobicContact CD2-CG 4.4Å; F853-R860 PolarHBondContact N-O 3.44Å; F853-R860 PolarHBondContact O-N 3.49Å; R860-R862 PolarHBondContact O-N 3.04Å; R860-A914 PolarHBondContact NE-O 3.33Å; R860-A914 PolarHBondContact NH2-O 2.86Å
861	D	93.2	Very high	92.1	Very high	62 Å²	62	67.9 Å²	67.9	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.7	63	169.4	-58.8	-122.2	0	0	0	113.4	F853 T863 P912	F853-D861 HydrophobicContact CD2-CB 3.59Å; F853-D861 HydrophobicContact CE2-CB 3.7Å; D861-T863 PolarHBondContact O-N 3.32Å; D861-T863 VanDerWaalsContact O-N 3.13Å; D861-T863 PolarHBondContact O-OG1 3.32Å; D861-P912 WeakPolarHBondContact OD1-CG 3.08Å
862	R	95.4	Very high	90.1	Very high	152 Å²	152	72.5 Å²	72.5	57%	0.574	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	104.3	-179.7	-177.3	-178.8	-168.1	-165.6	3.5	111.1	R850 S851 W852 R860	R850-R862 VanDerWaalsContact CD-NE 3.35Å; S851-R862 WeakPolarHBondContact O-CA 3.2Å; W852-R862 HydrophobicContact CD2-CG 4.28Å; W852-R862 HydrophobicContact CG-CB 4.41Å; W852-R862 HydrophobicContact CG-CG 4.49Å; W852-R862 HydrophobicContact CZ2-CG 4.02Å; W852-R862 VanDerWaalsContact CZ2-NE 3.27Å; R860-R862 PolarHBondContact O-N 3.04Å
863	T	93.6	Very high	87.8	Confident	36 Å²	36	78.7 Å²	78.7	22%	0.221	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.6	-178.4	-58.3	0	0	0	0	111	R850 S851 D861 H910	R850-T863 WeakPolarHBondContact CA-O 3.14Å; R850-T863 WeakPolarHBondContact CB-O 3.26Å; S851-T863 PolarHBondContact N-O 2.51Å; S851-T863 PolarHBondContact O-N 2.8Å; D861-T863 PolarHBondContact O-N 3.32Å; D861-T863 VanDerWaalsContact O-N 3.13Å; D861-T863 PolarHBondContact O-OG1 3.32Å; T863-H910 VanDerWaalsContact CG2-CE1 3.5Å; T863-H910 WeakPolarHBondContact CG2-CE1 3.33Å
864	D	92.6	Very high	85.6	Confident	106 Å²	106	82.8 Å²	82.8	57%	0.567	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	133.5	169.8	-89.3	-61.8	0	0	0	110.7	R850	R850-D864 IonicContact CZ-OD1 2.68Å; R850-D864 IonicContact CZ-OD2 3.3Å; R850-D864 VanDerWaalsContact CZ-OD2 3.26Å; R850-D864 IonicContact NE-OD1 2.69Å; R850-D864 PolarHBondContact NE-OD1 3.28Å; R850-D864 IonicContact NE-OD2 2.82Å; R850-D864 IonicContact NH2-OD1 2.77Å; R850-D864 PolarHBondContact NH2-OD1 3.43Å; R850-D864 IonicContact NH2-OD2 3.58Å; R850-D864 PolarHBondContact NH2-OD2 3.49Å
865	G	89.3	Confident	83	Confident	22 Å²	22	88.9 Å²	88.9	23%	0.227	43%	0.432	C	S	.	.			trans	126.6	124.1	-165.5	0	0	0	0	0	109.8	K849 R850 S851	K849-G865 CarbonylContact O-C 3.44Å; K849-G865 PolarHBondContact O-N 3.29Å; R850-G865 CarbonylContact C-O 3.59Å; R850-G865 WeakPolarHBondContact CA-O 3.44Å; S851-G865 PolarHBondContact N-O 3.42Å; S851-G865 VanDerWaalsContact N-O 3.13Å
866	G	91.4	Very high	80.7	Confident	6 Å²	6	92.8 Å²	92.8	6%	0.062	45%	0.454	C	S	.	.			trans	-163.1	177.7	-171	0	0	0	0	0	111	N847 K868	N847-G866 CarbonylContact O-C 3.51Å; N847-G866 WeakPolarHBondContact O-CA 3.35Å; G866-K868 PolarHBondContact O-N 2.86Å
867	I	95.1	Very high	78.7	Confident	6 Å²	6	96.1 Å²	96.1	3%	0.031	47%	0.472	C	S	.	.			trans	-70.2	119.9	-168.5	-60.6	171.3	0	0	0	110.9	V811 Y814 P820 L846 N847 S848 I869	V811-I867 HydrophobicContact CB-CG2 4.26Å; V811-I867 HydrophobicContact CG1-CD1 4.5Å; V811-I867 HydrophobicContact CG1-CG2 3.91Å; V811-I867 HydrophobicContact CG2-CD1 4.3Å; Y814-I867 HydrophobicContact CD1-CB 3.73Å; Y814-I867 HydrophobicContact CD1-CD1 4.47Å; Y814-I867 HydrophobicContact CD1-CG2 3.4Å; Y814-I867 VanDerWaalsContact CD1-CG2 3.4Å; Y814-I867 HydrophobicContact CE1-CB 3.8Å; Y814-I867 HydrophobicContact CE1-CD1 4.38Å; Y814-I867 HydrophobicContact CE1-CG2 4.03Å; Y814-I867 HydrophobicContact CG-CB 4.49Å; Y814-I867 HydrophobicContact CG-CG2 3.89Å; P820-I867 HydrophobicContact CG-CD1 3.38Å; L846-I867 HydrophobicContact CB-CD1 4.08Å; L846-I867 HydrophobicContact CB-CG1 4.02Å; L846-I867 HydrophobicContact CD2-CG1 4.48Å; N847-I867 PolarHBondContact O-N 3.45Å; S848-I867 WeakPolarHBondContact CA-O 3.48Å; I867-I869 HydrophobicContact CG2-CG1 4.46Å
868	K	91.2	Very high	76.3	Confident	133 Å²	133	102.2 Å²	102.2	58%	0.578	50%	0.495	S	S	*	.			trans	-115	135.4	169.8	-61.7	174.7	-174.1	173.1	0	109	G866 T888	G866-K868 PolarHBondContact O-N 2.86Å; K868-T888 PolarHBondContact N-OG1 2.84Å; K868-T888 PolarHBondContact O-N 3.19Å; K868-T888 PolarHBondContact O-OG1 2.96Å
869	I	84.8	Confident	73.7	Confident	54 Å²	54	98.8 Å²	98.8	28%	0.277	49%	0.488	S	S	.	.			trans	-127.4	119.4	164.4	-58.4	-178.6	0	0	0	105.8	V811 Q813 Y814 I867 L885 I886	V811-I869 HydrophobicContact CG1-CD1 4.32Å; V811-I869 WeakPolarHBondContact O-CD1 3.25Å; Q813-I869 VanDerWaalsContact C-CD1 3.46Å; Q813-I869 VanDerWaalsContact CA-CD1 3.44Å; Y814-I869 VanDerWaalsContact N-CD1 3.3Å; I867-I869 HydrophobicContact CG2-CG1 4.46Å; I869-L885 HydrophobicContact CG2-CD2 4.09Å; I869-I886 WeakPolarHBondContact CA-O 3.49Å
870	I	77.6	Confident	71.1	Confident	82 Å²	82	99 Å²	99	42%	0.421	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116.2	-176.4	-55.2	175.3	0	0	0	107.7	Q872 I886	I870-Q872 HydrophobicContact CG2-CG 4.48Å; I870-Q872 PolarHBondContact O-N 2.82Å; I870-I886 HydrophobicContact CB-CB 4.32Å; I870-I886 PolarHBondContact N-O 3.12Å; I870-I886 PolarHBondContact O-N 3.4Å
871	Q	66.3	Low	68.6	Low	149 Å²	149	103 Å²	103	70%	0.696	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	107.1	164.5	-70.5	176.6	-21.3	0	0	107.6	E873 L885	Q871-E873 PolarHBondContact O-N 2.84Å; Q871-L885 HydrophobicContact CG-CD1 4.04Å; Q871-L885 HydrophobicContact CG-CG 4.03Å
872	Q	55.8	Low	66.1	Low	98 Å²	98	106.3 Å²	106.3	46%	0.458	54%	0.539	S	S	.	.			trans	-82.5	110.3	166.2	-87.5	-170.7	-25.3	0	0	109.2	I870 I874 I886	I870-Q872 HydrophobicContact CG2-CG 4.48Å; I870-Q872 PolarHBondContact O-N 2.82Å; Q872-I874 PolarHBondContact O-N 3.01Å; Q872-I886 HydrophobicContact CG-CD1 4.07Å
873	E	48.4	Very low	64	Low	160 Å²	160	103.3 Å²	103.3	75%	0.748	54%	0.538	S	S	*	.			trans	-69.6	95.3	160	-68	-170.5	156.4	0	0	108.6	Q871 N875	Q871-E873 PolarHBondContact O-N 2.84Å; E873-N875 PolarHBondContact O-N 3.48Å
874	I	51	Low	62.1	Low	85 Å²	85	104.6 Å²	104.6	44%	0.436	55%	0.548	S	S	.	.			trans	-67.5	105.2	172.6	-56.7	179.8	0	0	0	107.5	Q872 D876	Q872-I874 PolarHBondContact O-N 3.01Å; I874-D876 HydrophobicContact CG2-CB 4.06Å; I874-D876 WeakPolarHBondContact CG2-OD2 3.49Å; I874-D876 PolarHBondContact O-N 3.48Å
875	N	44.5	Very low	60.9	Low	135 Å²	135	103.2 Å²	103.2	72%	0.722	54%	0.54	S	S	*	.			trans	-76.5	33.2	-175.5	-107.5	-68.5	0	0	0	113.9	E873 K877	E873-N875 PolarHBondContact O-N 3.48Å; N875-K877 PolarHBondContact O-N 3.12Å
876	D	48.6	Very low	60.2	Low	111 Å²	111	105.9 Å²	105.9	59%	0.594	55%	0.549	S	S	*	.			trans	-80.9	100.3	174.1	-82	-37.5	0	0	0	110.5	I874 N878 S879	I874-D876 HydrophobicContact CG2-CB 4.06Å; I874-D876 WeakPolarHBondContact CG2-OD2 3.49Å; I874-D876 PolarHBondContact O-N 3.48Å; D876-N878 PolarHBondContact O-N 3.24Å; D876-S879 PolarHBondContact O-N 3.17Å
877	K	52.7	Low	60.1	Low	198 Å²	198	107 Å²	107	86%	0.861	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-3.2	-177.3	-65.2	-176.7	177.6	178.8	0	115.7	N875	N875-K877 PolarHBondContact O-N 3.12Å
878	N	45.8	Very low	60.1	Low	169 Å²	169	106.9 Å²	106.9	90%	0.904	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	16.8	-174.1	-71.2	-13.9	0	0	0	113.9	D876	D876-N878 PolarHBondContact O-N 3.24Å
879	S	41.5	Very low	60.3	Low	83 Å²	83	103 Å²	103	58%	0.58	54%	0.539	S	S	*	.	S	Bend	trans	-125.2	133.4	179	-169.2	0	0	0	0	112.9	D876 Q881	D876-S879 PolarHBondContact O-N 3.17Å; S879-Q881 PolarHBondContact O-N 2.94Å
880	T	41	Very low	61	Low	129 Å²	129	100.4 Å²	100.4	79%	0.791	53%	0.526	S	S	*	.			trans	-78.2	105.4	178.4	47.4	0	0	0	0	111.5	N882	T880-N882 PolarHBondContact O-N 2.86Å
881	Q	40	Very low	61.9	Low	188 Å²	188	96.6 Å²	96.6	88%	0.879	51%	0.506	S	S	*	.			trans	36.8	71.3	159.1	-66.6	-172.5	-12.6	0	0	116.4	S879	S879-Q881 PolarHBondContact O-N 2.94Å
882	N	41.7	Very low	63.4	Low	130 Å²	130	89.5 Å²	89.5	70%	0.695	47%	0.473	S	S	*	.			trans	-123.7	86.1	159.7	-92.8	-38.3	0	0	0	109.5	T880 S884	T880-N882 PolarHBondContact O-N 2.86Å; N882-S884 PolarHBondContact O-N 3.03Å; N882-S884 VanDerWaalsContact O-N 3.15Å
883	T	50.1	Low	65.4	Low	90 Å²	90	85.6 Å²	85.6	55%	0.552	45%	0.454	S	S	*	.			trans	-75.9	94.5	173.7	4.2	0	0	0	0	109.8	L885	T883-L885 PolarHBondContact O-N 3.08Å
884	S	54.6	Low	67.6	Low	63 Å²	63	78 Å²	78	44%	0.441	42%	0.419	S	S	.	.			trans	-66.9	102.9	173.9	-62.5	0	0	0	0	110.6	N882 I886	N882-S884 PolarHBondContact O-N 3.03Å; N882-S884 VanDerWaalsContact O-N 3.15Å; S884-I886 PolarHBondContact O-N 3.29Å
885	L	67.9	Low	69.6	Low	76 Å²	76	74 Å²	74	40%	0.398	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	118.9	168.1	-92.4	76.5	0	0	0	109.7	I869 Q871 T883 T887	I869-L885 HydrophobicContact CG2-CD2 4.09Å; Q871-L885 HydrophobicContact CG-CD1 4.04Å; Q871-L885 HydrophobicContact CG-CG 4.03Å; T883-L885 PolarHBondContact O-N 3.08Å; L885-T887 HydrophobicContact CB-CG2 4.26Å; L885-T887 PolarHBondContact O-N 2.83Å
886	I	75.2	Confident	71.8	Confident	79 Å²	79	67.8 Å²	67.8	41%	0.405	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.8	163	-59.7	176.9	0	0	0	106.8	I869 I870 Q872 S884	I869-I886 WeakPolarHBondContact CA-O 3.49Å; I870-I886 HydrophobicContact CB-CB 4.32Å; I870-I886 PolarHBondContact N-O 3.12Å; I870-I886 PolarHBondContact O-N 3.4Å; Q872-I886 HydrophobicContact CG-CD1 4.07Å; S884-I886 PolarHBondContact O-N 3.29Å
887	T	87.7	Confident	73.5	Confident	29 Å²	29	69.5 Å²	69.5	18%	0.178	37%	0.37	C	S	.	.			trans	-107.2	160.3	179.2	38.2	0	0	0	0	109.9	N810 V811 L885	N810-T887 PolarHBondContact ND2-OG1 3.47Å; N810-T887 WeakPolarHBondContact OD1-CB 3.48Å; N810-T887 PolarHBondContact OD1-OG1 3.06Å; N810-T887 VanDerWaalsContact OD1-OG1 3.07Å; V811-T887 WeakPolarHBondContact O-CG2 3.44Å; L885-T887 HydrophobicContact CB-CG2 4.26Å; L885-T887 PolarHBondContact O-N 2.83Å
888	T	95.1	Very high	75.2	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129	175.6	-59.3	0	0	0	0	110	V811 K868 I890 L905 N906	V811-T888 PolarHBondContact N-O 3.47Å; K868-T888 PolarHBondContact N-OG1 2.84Å; K868-T888 PolarHBondContact O-N 3.19Å; K868-T888 PolarHBondContact O-OG1 2.96Å; T888-I890 HydrophobicContact CG2-CD1 3.97Å; T888-I890 HydrophobicContact CG2-CG1 4.48Å; T888-L905 HydrophobicContact CG2-CD1 3.55Å; T888-L905 HydrophobicContact CG2-CG 4.45Å; T888-N906 WeakPolarHBondContact CA-OD1 3.49Å
889	I	96.6	Very high	77.4	Confident	52 Å²	52	58.1 Å²	58.1	27%	0.267	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	124.7	175	-58	175.7	0	0	0	108.6	E808 W809 L905 N906	E808-I889 HydrophobicContact CB-CG2 3.84Å; E808-I889 HydrophobicContact CG-CG2 3.84Å; W809-I889 CarbonylContact O-C 3.55Å; W809-I889 WeakPolarHBondContact O-CA 3.08Å; I889-L905 WeakPolarHBondContact O-CA 3.47Å; I889-N906 PolarHBondContact N-OD1 2.81Å; I889-N906 PolarHBondContact O-N 2.87Å
890	I	97.9	Very high	79.9	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109.7	173.1	-57.2	86.2	0	0	0	108.4	E808 W809 V811 F822 M844 L846 T888 F903 Y904 L905	E808-I890 CarbonylContact C-O 3.55Å; E808-I890 WeakPolarHBondContact CA-O 3.12Å; W809-I890 HydrophobicContact CB-CB 4.33Å; W809-I890 PolarHBondContact N-O 3.18Å; W809-I890 PolarHBondContact O-N 3.21Å; V811-I890 HydrophobicContact CG2-CD1 3.49Å; V811-I890 VanDerWaalsContact CG2-CD1 3.49Å; F822-I890 HydrophobicContact CB-CG2 4.31Å; F822-I890 HydrophobicContact CD2-CB 4.37Å; F822-I890 HydrophobicContact CD2-CD1 4.42Å; F822-I890 HydrophobicContact CD2-CG1 4.19Å; F822-I890 HydrophobicContact CD2-CG2 4.21Å; F822-I890 HydrophobicContact CE2-CD1 3.89Å; F822-I890 HydrophobicContact CE2-CG1 4.14Å; F822-I890 HydrophobicContact CG-CG2 4.31Å; F822-I890 HydrophobicContact CZ-CD1 4.09Å; M844-I890 HydrophobicContact CE-CG2 3.71Å; L846-I890 HydrophobicContact CD1-CG1 4.14Å; L846-I890 HydrophobicContact CD2-CG1 4.32Å; T888-I890 HydrophobicContact CG2-CD1 3.97Å; T888-I890 HydrophobicContact CG2-CG1 4.48Å; I890-F903 HydrophobicContact CG2-CD1 4.49Å; I890-Y904 CarbonylContact C-O 3.57Å; I890-Y904 WeakPolarHBondContact CA-O 3.42Å; I890-L905 HydrophobicContact CG1-CD1 4.1Å
891	G	97.7	Very high	82.6	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	143.3	172.4	0	0	0	0	0	111.7	Y806 W807 F903 Y904	Y806-G891 WeakPolarHBondContact OH-CA 2.82Å; W807-G891 WeakPolarHBondContact O-CA 3.44Å; G891-F903 CarbonylContact O-C 3.11Å; G891-F903 WeakPolarHBondContact O-CA 3.36Å; G891-Y904 PolarHBondContact N-O 3.45Å; G891-Y904 PolarHBondContact O-N 2.89Å
892	V	98.2	Very high	85.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.5	177.9	-172.1	0	0	0	0	108.5	Y806 W807 F822 L901 F903	Y806-V892 WeakPolarHBondContact CA-O 3.27Å; Y806-V892 VanDerWaalsContact CD2-O 3.28Å; Y806-V892 WeakPolarHBondContact CD2-O 3.42Å; W807-V892 HydrophobicContact CD2-CB 4.15Å; W807-V892 HydrophobicContact CH2-CB 4.5Å; W807-V892 HydrophobicContact CH2-CG1 3.95Å; W807-V892 HydrophobicContact CZ2-CB 3.88Å; W807-V892 HydrophobicContact CZ2-CG1 3.51Å; W807-V892 PolarHBondContact N-O 3.42Å; W807-V892 PolarHBondContact O-N 3.24Å; F822-V892 HydrophobicContact CB-CG2 4.46Å; V892-L901 HydrophobicContact CG1-CD1 3.72Å; V892-F903 HydrophobicContact CB-CD1 4.48Å; V892-F903 HydrophobicContact CB-CE1 4.4Å; V892-F903 HydrophobicContact CG1-CD1 4.35Å; V892-F903 HydrophobicContact CG1-CE1 3.91Å; V892-F903 HydrophobicContact CG2-CD1 4Å; V892-F903 HydrophobicContact CG2-CE1 3.9Å
893	R	96.8	Very high	87.9	Confident	17 Å²	17	35.5 Å²	35.5	6%	0.064	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.9	177.4	-176.6	174.2	175.7	-94	-1.4	109.7	I804 H805 Y806 L901 A902 Y904 V959 E962	I804-R893 HydrophobicContact CG2-CG 4.47Å; H805-R893 WeakPolarHBondContact O-CA 3.48Å; Y806-R893 HydrophobicContact CD2-CB 3.95Å; R893-L901 WeakPolarHBondContact O-CA 3.35Å; R893-A902 PolarHBondContact N-O 3.48Å; R893-A902 PolarHBondContact O-N 3.1Å; R893-Y904 HydrophobicContact CB-CD2 4.37Å; R893-Y904 HydrophobicContact CB-CE2 3.75Å; R893-V959 HydrophobicContact CG-CG1 4.23Å; R893-V959 VanDerWaalsContact NE-CG1 3.32Å; R893-E962 IonicContact CZ-OE1 2.83Å; R893-E962 IonicContact NH1-OE1 2.69Å; R893-E962 PolarHBondContact NH1-OE1 3.34Å; R893-E962 IonicContact NH2-OE1 3.86Å; R893-E962 PolarHBondContact NH2-OE1 3.31Å
894	F	95.5	Very high	90.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	115.2	178.1	-178.2	-128.9	0	0	0	111.2	F800 I804 H805 W807 I824 C896 H900 L901 L918 F939	F800-F894 HydrophobicContact CB-CD1 4.39Å; F800-F894 HydrophobicContact CB-CE1 4.36Å; F800-F894 HydrophobicContact CD2-CD1 4.41Å; I804-F894 WeakPolarHBondContact CA-O 3.14Å; H805-F894 PolarHBondContact N-O 3.11Å; H805-F894 PolarHBondContact O-N 3.21Å; W807-F894 HydrophobicContact CH2-CB 4.09Å; W807-F894 HydrophobicContact CZ3-CB 4.16Å; I824-F894 HydrophobicContact CD1-CD1 4.4Å; I824-F894 HydrophobicContact CD1-CD2 3.68Å; I824-F894 HydrophobicContact CD1-CE1 4.25Å; I824-F894 HydrophobicContact CD1-CE2 3.53Å; I824-F894 HydrophobicContact CD1-CG 4.14Å; I824-F894 HydrophobicContact CD1-CZ 3.83Å; I824-F894 HydrophobicContact CG2-CG 4.4Å; F894-C896 HydrophobicContact CE1-CB 4.35Å; F894-C896 WeakPolarHBondContact CE1-SG 3.38Å; F894-H900 WeakPolarHBondContact CD2-O 3.36Å; F894-L901 HydrophobicContact CB-CD1 3.92Å; F894-L901 HydrophobicContact CD2-CB 4.43Å; F894-L901 HydrophobicContact CD2-CD1 4.12Å; F894-L901 HydrophobicContact CG-CD1 4.36Å; F894-L918 HydrophobicContact CD2-CD1 4.25Å; F894-L918 HydrophobicContact CE2-CB 4.47Å; F894-L918 HydrophobicContact CE2-CD1 3.73Å; F894-F939 HydrophobicContact CE1-CB 3.7Å; F894-F939 AromaticContact CE1-CD2 3.9Å; F894-F939 HydrophobicContact CE1-CD2 3.9Å; F894-F939 AromaticContact CE1-CG 3.93Å; F894-F939 HydrophobicContact CE1-CG 3.93Å; F894-F939 HydrophobicContact CZ-CB 4.06Å; F894-F939 HydrophobicContact CZ-CD1 4.39Å; F894-F939 AromaticContact CZ-CD2 3.64Å; F894-F939 HydrophobicContact CZ-CD2 3.64Å; F894-F939 HydrophobicContact CZ-CE2 4.16Å; F894-F939 AromaticContact CZ-CG 3.78Å; F894-F939 HydrophobicContact CZ-CG 3.78Å
895	D	93.3	Very high	92.1	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	106.5	172.7	175.8	-19.4	0	0	0	108.3	I804 E897 R898 G899 H900	I804-D895 HydrophobicContact CD1-CB 4.37Å; I804-D895 HydrophobicContact CG1-CB 4.05Å; I804-D895 HydrophobicContact CG2-CB 4.05Å; D895-E897 VanDerWaalsContact C-N 3.29Å; D895-E897 PolarHBondContact O-N 3.1Å; D895-E897 WeakPolarHBondContact OD1-CA 3.29Å; D895-E897 WeakPolarHBondContact OD1-CB 3.42Å; D895-E897 PolarHBondContact OD1-N 2.83Å; D895-R898 PolarHBondContact OD1-N 3.43Å; D895-R898 WeakPolarHBondContact OD2-CD 3.4Å; D895-R898 WeakPolarHBondContact OD2-CG 3.47Å; D895-R898 IonicContact OD2-NE 2.72Å; D895-G899 CarbonylContact O-C 3.55Å; D895-G899 WeakPolarHBondContact O-CA 3.03Å; D895-G899 PolarHBondContact O-N 2.89Å; D895-H900 HydrophobicContact CB-CB 4.21Å; D895-H900 PolarHBondContact N-O 3Å; D895-H900 PolarHBondContact O-N 3.18Å
896	C	89.8	Confident	93.3	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.02	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-24.4	-179.8	-51.7	0	0	0	0	112.2	G803 F894 N919	G803-C896 VanDerWaalsContact O-CB 3.23Å; G803-C896 WeakPolarHBondContact O-CB 3.46Å; G803-C896 PolarHBondContact O-N 3.14Å; G803-C896 PolarHBondContact O-SG 2.88Å; F894-C896 HydrophobicContact CE1-CB 4.35Å; F894-C896 WeakPolarHBondContact CE1-SG 3.38Å; C896-N919 PolarHBondContact O-ND2 3.31Å
897	E	84.8	Confident	94.1	Very high	147 Å²	147	28.9 Å²	28.9	69%	0.687	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-47.5	-173.3	-57.2	-174.2	-174.8	0	0	110.7	D895 G899	D895-E897 VanDerWaalsContact C-N 3.29Å; D895-E897 PolarHBondContact O-N 3.1Å; D895-E897 WeakPolarHBondContact OD1-CA 3.29Å; D895-E897 WeakPolarHBondContact OD1-CB 3.42Å; D895-E897 PolarHBondContact OD1-N 2.83Å; E897-G899 VanDerWaalsContact C-N 3.34Å
898	R	88.5	Confident	94.3	Very high	129 Å²	129	34.1 Å²	34.1	49%	0.487	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.1	170.3	-58.2	-177.3	-178	165.6	-3.6	112.2	D895 H900 E962	D895-R898 PolarHBondContact OD1-N 3.43Å; D895-R898 WeakPolarHBondContact OD2-CD 3.4Å; D895-R898 WeakPolarHBondContact OD2-CG 3.47Å; D895-R898 IonicContact OD2-NE 2.72Å; R898-H900 HydrophobicContact CB-CB 4.35Å; R898-H900 PolarHBondContact O-CD2 3.25Å; R898-E962 IonicContact CZ-OE2 2.73Å; R898-E962 VanDerWaalsContact NH1-CD 3.32Å; R898-E962 IonicContact NH1-OE1 3.73Å; R898-E962 PolarHBondContact NH1-OE1 3.46Å; R898-E962 IonicContact NH1-OE2 2.76Å; R898-E962 PolarHBondContact NH1-OE2 3.44Å; R898-E962 IonicContact NH2-OE2 3.73Å
899	G	90.8	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	43.9	-170.1	0	0	0	0	0	111.1	D895 E897 T916 N917 L918	D895-G899 CarbonylContact O-C 3.55Å; D895-G899 WeakPolarHBondContact O-CA 3.03Å; D895-G899 PolarHBondContact O-N 2.89Å; E897-G899 VanDerWaalsContact C-N 3.34Å; G899-T916 CarbonylContact O-C 3.41Å; G899-T916 VanDerWaalsContact O-C 3.25Å; G899-T916 VanDerWaalsContact O-CA 3.3Å; G899-T916 WeakPolarHBondContact O-CA 2.9Å; G899-N917 PolarHBondContact O-N 2.83Å; G899-L918 WeakPolarHBondContact O-CB 3.43Å; G899-L918 WeakPolarHBondContact O-CG 3.38Å; G899-L918 PolarHBondContact O-N 3.45Å
900	H	94.8	Very high	94.2	Very high	39 Å²	39	36 Å²	36	18%	0.181	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.2	-179.7	-70.9	-170.7	0	0	0	110.6	F894 D895 R898 I913 F915	F894-H900 WeakPolarHBondContact CD2-O 3.36Å; D895-H900 HydrophobicContact CB-CB 4.21Å; D895-H900 PolarHBondContact N-O 3Å; D895-H900 PolarHBondContact O-N 3.18Å; R898-H900 HydrophobicContact CB-CB 4.35Å; R898-H900 PolarHBondContact O-CD2 3.25Å; H900-I913 HydrophobicContact CB-CG2 3.95Å; H900-F915 VanDerWaalsContact CA-O 3.32Å; H900-F915 WeakPolarHBondContact CA-O 3.46Å
901	L	96.7	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.2	168.6	-173	68.5	0	0	0	108.8	I824 W842 V892 R893 F894 F903 I913 A914 F915 L918	I824-L901 HydrophobicContact CD1-CD1 4.3Å; I824-L901 HydrophobicContact CD1-CD2 4.28Å; I824-L901 HydrophobicContact CG1-CD1 4.46Å; I824-L901 HydrophobicContact CG1-CD2 4Å; I824-L901 HydrophobicContact CG2-CD1 4.08Å; W842-L901 HydrophobicContact CB-CD2 3.99Å; V892-L901 HydrophobicContact CG1-CD1 3.72Å; R893-L901 WeakPolarHBondContact O-CA 3.35Å; F894-L901 HydrophobicContact CB-CD1 3.92Å; F894-L901 HydrophobicContact CD2-CB 4.43Å; F894-L901 HydrophobicContact CD2-CD1 4.12Å; F894-L901 HydrophobicContact CG-CD1 4.36Å; L901-F903 HydrophobicContact CD2-CE2 3.99Å; L901-F903 HydrophobicContact CD2-CZ 3.69Å; L901-F903 HydrophobicContact CG-CE2 4.1Å; L901-F903 HydrophobicContact CG-CZ 4.01Å; L901-I913 WeakPolarHBondContact O-CG2 3.12Å; L901-A914 WeakPolarHBondContact O-CB 3.3Å; L901-A914 PolarHBondContact O-N 2.87Å; L901-F915 HydrophobicContact CB-CB 4.33Å; L901-F915 HydrophobicContact CB-CD2 4.27Å; L901-F915 HydrophobicContact CD2-CD2 3.87Å; L901-F915 HydrophobicContact CD2-CE2 4.36Å; L901-F915 PolarHBondContact N-O 3.12Å; L901-F915 PolarHBondContact O-N 2.92Å; L901-L918 HydrophobicContact CB-CD1 3.71Å
902	A	96.6	Very high	93.5	Very high	12 Å²	12	41.2 Å²	41.2	10%	0.099	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	155.5	176.9	0	0	0	0	0	110.4	R893	R893-A902 PolarHBondContact N-O 3.48Å; R893-A902 PolarHBondContact O-N 3.1Å
903	F	97.6	Very high	93.3	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.013	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.4	-176.8	-65.1	-80.4	0	0	0	111.4	F822 M844 F853 I890 G891 V892 L901 H910 A914	F822-F903 WeakPolarHBondContact O-CE1 3.13Å; F822-F903 WeakPolarHBondContact O-CZ 3.41Å; M844-F903 HydrophobicContact CB-CD1 3.94Å; M844-F903 HydrophobicContact CB-CD2 3.71Å; M844-F903 HydrophobicContact CB-CE1 3.94Å; M844-F903 HydrophobicContact CB-CE2 3.7Å; M844-F903 HydrophobicContact CB-CG 3.83Å; M844-F903 HydrophobicContact CB-CZ 3.83Å; M844-F903 HydrophobicContact CE-CB 3.57Å; M844-F903 HydrophobicContact CE-CD1 4.08Å; M844-F903 HydrophobicContact CE-CG 3.88Å; M844-F903 VanDerWaalsContact N-CZ 3.31Å; M844-F903 HydrophobicContact SD-CB 3.99Å; M844-F903 HydrophobicContact SD-CD2 4.46Å; M844-F903 HydrophobicContact SD-CG 4.18Å; F853-F903 AromaticContact CD1-CD2 3.99Å; F853-F903 HydrophobicContact CD1-CD2 3.99Å; F853-F903 HydrophobicContact CD1-CE2 4.19Å; F853-F903 AromaticContact CE1-CD2 3.71Å; F853-F903 HydrophobicContact CE1-CD2 3.71Å; F853-F903 HydrophobicContact CE1-CE2 4.37Å; I890-F903 HydrophobicContact CG2-CD1 4.49Å; G891-F903 CarbonylContact O-C 3.11Å; G891-F903 WeakPolarHBondContact O-CA 3.36Å; V892-F903 HydrophobicContact CB-CD1 4.48Å; V892-F903 HydrophobicContact CB-CE1 4.4Å; V892-F903 HydrophobicContact CG1-CD1 4.35Å; V892-F903 HydrophobicContact CG1-CE1 3.91Å; V892-F903 HydrophobicContact CG2-CD1 4Å; V892-F903 HydrophobicContact CG2-CE1 3.9Å; L901-F903 HydrophobicContact CD2-CE2 3.99Å; L901-F903 HydrophobicContact CD2-CZ 3.69Å; L901-F903 HydrophobicContact CG-CE2 4.1Å; L901-F903 HydrophobicContact CG-CZ 4.01Å; F903-H910 PolarHBondContact O-N 3.35Å; F903-A914 HydrophobicContact CD2-CB 3.61Å; F903-A914 HydrophobicContact CE2-CB 3.59Å
904	Y	97	Very high	93.1	Very high	16 Å²	16	43.7 Å²	43.7	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.5	178	-66.4	-109.8	0	0	0	108.9	Y806 I890 G891 R893 G907 E908 P909 P960	Y806-Y904 AromaticContact CE2-CD2 3.91Å; Y806-Y904 HydrophobicContact CE2-CD2 3.91Å; Y806-Y904 HydrophobicContact CE2-CE2 4.38Å; Y806-Y904 HydrophobicContact CE2-CG 4.31Å; I890-Y904 CarbonylContact C-O 3.57Å; I890-Y904 WeakPolarHBondContact CA-O 3.42Å; G891-Y904 PolarHBondContact N-O 3.45Å; G891-Y904 PolarHBondContact O-N 2.89Å; R893-Y904 HydrophobicContact CB-CD2 4.37Å; R893-Y904 HydrophobicContact CB-CE2 3.75Å; Y904-G907 WeakPolarHBondContact CD1-O 3.2Å; Y904-E908 CarbonylContact C-O 3.51Å; Y904-E908 WeakPolarHBondContact CA-O 3.41Å; Y904-E908 WeakPolarHBondContact CB-O 3.3Å; Y904-P909 HydrophobicContact CD1-CB 4.41Å; Y904-P909 HydrophobicContact CD1-CG 4.2Å; Y904-P909 HydrophobicContact CE1-CB 4.22Å; Y904-P909 HydrophobicContact CE1-CG 3.81Å; Y904-P960 HydrophobicContact CE1-CB 3.92Å; Y904-P960 HydrophobicContact CE1-CG 4.14Å
905	L	95.2	Very high	93.1	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.099	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	111.6	178.5	-167.3	72.2	0	0	0	109.1	L846 T888 I889 I890 G907 E908 H910	L846-L905 HydrophobicContact CD2-CD1 4.05Å; T888-L905 HydrophobicContact CG2-CD1 3.55Å; T888-L905 HydrophobicContact CG2-CG 4.45Å; I889-L905 WeakPolarHBondContact O-CA 3.47Å; I890-L905 HydrophobicContact CG1-CD1 4.1Å; L905-G907 VanDerWaalsContact C-N 3.26Å; L905-G907 PolarHBondContact O-N 2.75Å; L905-E908 PolarHBondContact N-O 2.92Å; L905-E908 PolarHBondContact O-N 3.35Å; L905-H910 HydrophobicContact CB-CB 3.72Å
906	N	93.7	Very high	93	Very high	93 Å²	93	47.9 Å²	47.9	50%	0.497	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	35.9	-174.6	-45.3	-52.3	0	0	0	113.7	T888 I889	T888-N906 WeakPolarHBondContact CA-OD1 3.49Å; I889-N906 PolarHBondContact N-OD1 2.81Å; I889-N906 PolarHBondContact O-N 2.87Å
907	G	91.6	Very high	92.8	Very high	42 Å²	42	53.8 Å²	53.8	43%	0.433	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	-21.1	179.4	0	0	0	0	0	115.1	Y904 L905	Y904-G907 WeakPolarHBondContact CD1-O 3.2Å; L905-G907 VanDerWaalsContact C-N 3.26Å; L905-G907 PolarHBondContact O-N 2.75Å
908	E	92.5	Very high	92.7	Very high	139 Å²	139	47.1 Å²	47.1	65%	0.65	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.2	-178.5	-65	-59.7	154.9	0	0	112.5	Y904 L905 H910	Y904-E908 CarbonylContact C-O 3.51Å; Y904-E908 WeakPolarHBondContact CA-O 3.41Å; Y904-E908 WeakPolarHBondContact CB-O 3.3Å; L905-E908 PolarHBondContact N-O 2.92Å; L905-E908 PolarHBondContact O-N 3.35Å; E908-H910 PolarHBondContact O-N 3.44Å
909	P	94.4	Very high	91.6	Very high	76 Å²	76	43.2 Å²	43.2	49%	0.494	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	123	174.6	-21	31.4	0	0	0	112	Y904	Y904-P909 HydrophobicContact CD1-CB 4.41Å; Y904-P909 HydrophobicContact CD1-CG 4.2Å; Y904-P909 HydrophobicContact CE1-CB 4.22Å; Y904-P909 HydrophobicContact CE1-CG 3.81Å
910	H	94.5	Very high	89.9	Confident	17 Å²	17	46.5 Å²	46.5	8%	0.079	27%	0.27	C	S	.	.			trans	-108.7	83.6	-171.1	-167.3	74.2	0	0	0	112.7	S851 T863 F903 L905 E908	S851-H910 PolarHBondContact OG-CD2 3.41Å; S851-H910 PolarHBondContact OG-NE2 3.48Å; T863-H910 VanDerWaalsContact CG2-CE1 3.5Å; T863-H910 WeakPolarHBondContact CG2-CE1 3.33Å; F903-H910 PolarHBondContact O-N 3.35Å; L905-H910 HydrophobicContact CB-CB 3.72Å; E908-H910 PolarHBondContact O-N 3.44Å
911	G	89.2	Confident	87.7	Confident	39 Å²	39	51.7 Å²	51.7	40%	0.402	29%	0.292	S	S	.	.	S	Bend	trans	88.6	-174.3	-176.9	0	0	0	0	0	113.4
912	P	92.5	Very high	85.1	Confident	73 Å²	73	58.8 Å²	58.8	47%	0.474	33%	0.325	S	S	.	.	S	Bend	trans	-72.8	172.4	178.3	32.1	-34.8	0	0	0	111.5	F853 D861 A914	F853-P912 HydrophobicContact CE2-CG 4.18Å; F853-P912 WeakPolarHBondContact CZ-O 3.39Å; D861-P912 WeakPolarHBondContact OD1-CG 3.08Å; P912-A914 PolarHBondContact O-N 3.33Å
913	I	93.2	Very high	82.1	Confident	69 Å²	69	61.4 Å²	61.4	35%	0.354	35%	0.354	S	S	.	.			trans	-56.5	112.8	172.9	-58	179.4	0	0	0	109.2	H900 L901 F915 T916	H900-I913 HydrophobicContact CB-CG2 3.95Å; L901-I913 WeakPolarHBondContact O-CG2 3.12Å; I913-F915 WeakPolarHBondContact CG2-O 3.34Å; I913-F915 PolarHBondContact O-N 2.91Å; I913-T916 HydrophobicContact CB-CG2 4.49Å; I913-T916 HydrophobicContact CG2-CG2 3.81Å
914	A	94	Very high	79.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	39%	0.391	C	S	.	.	S	Bend	trans	-68.1	-33.6	-165.9	0	0	0	0	0	113.3	F853 R860 L901 F903 P912	F853-A914 HydrophobicContact CB-CB 4.43Å; F853-A914 HydrophobicContact CD1-CB 3.59Å; F853-A914 HydrophobicContact CD2-CB 3.62Å; F853-A914 HydrophobicContact CE1-CB 3.62Å; F853-A914 HydrophobicContact CE2-CB 3.65Å; F853-A914 HydrophobicContact CG-CB 3.61Å; F853-A914 HydrophobicContact CZ-CB 3.64Å; R860-A914 PolarHBondContact NE-O 3.33Å; R860-A914 PolarHBondContact NH2-O 2.86Å; L901-A914 WeakPolarHBondContact O-CB 3.3Å; L901-A914 PolarHBondContact O-N 2.87Å; F903-A914 HydrophobicContact CD2-CB 3.61Å; F903-A914 HydrophobicContact CE2-CB 3.59Å; P912-A914 PolarHBondContact O-N 3.33Å
915	F	94.8	Very high	76.1	Confident	20 Å²	20	76.5 Å²	76.5	9%	0.088	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-147.1	147.7	172.7	-56.1	-83.4	0	0	0	110.4	W842 F853 L854 H855 H900 L901 I913 L918	W842-F915 HydrophobicContact CB-CD2 3.92Å; W842-F915 HydrophobicContact CB-CE2 3.9Å; W842-F915 HydrophobicContact CB-CG 4.37Å; W842-F915 HydrophobicContact CB-CZ 4.33Å; W842-F915 AromaticContact CD1-CD1 3.64Å; W842-F915 AromaticContact CD1-CE1 3.9Å; W842-F915 AromaticContact CD1-CG 3.8Å; W842-F915 HydrophobicContact CG-CD2 4.44Å; W842-F915 HydrophobicContact CG-CG 4.41Å; F853-F915 HydrophobicContact CB-CE2 4.22Å; F853-F915 HydrophobicContact CB-CZ 3.99Å; L854-F915 WeakPolarHBondContact O-CZ 3.41Å; H855-F915 HydrophobicContact CB-CD1 4.46Å; H855-F915 HydrophobicContact CB-CE1 3.56Å; H855-F915 HydrophobicContact CB-CZ 3.95Å; H900-F915 VanDerWaalsContact CA-O 3.32Å; H900-F915 WeakPolarHBondContact CA-O 3.46Å; L901-F915 HydrophobicContact CB-CB 4.33Å; L901-F915 HydrophobicContact CB-CD2 4.27Å; L901-F915 HydrophobicContact CD2-CD2 3.87Å; L901-F915 HydrophobicContact CD2-CE2 4.36Å; L901-F915 PolarHBondContact N-O 3.12Å; L901-F915 PolarHBondContact O-N 2.92Å; I913-F915 WeakPolarHBondContact CG2-O 3.34Å; I913-F915 PolarHBondContact O-N 2.91Å; F915-L918 HydrophobicContact CB-CD1 3.97Å; F915-L918 HydrophobicContact CB-CD2 3.84Å; F915-L918 HydrophobicContact CB-CG 4Å; F915-L918 HydrophobicContact CG-CD2 4.49Å
916	T	91.9	Very high	73	Confident	69 Å²	69	80.8 Å²	80.8	42%	0.423	46%	0.458	S	S	.	.			trans	-133.3	163.5	176.5	65.2	0	0	0	0	109.9	G899 I913 L918	G899-T916 CarbonylContact O-C 3.41Å; G899-T916 VanDerWaalsContact O-C 3.25Å; G899-T916 VanDerWaalsContact O-CA 3.3Å; G899-T916 WeakPolarHBondContact O-CA 2.9Å; I913-T916 HydrophobicContact CB-CG2 4.49Å; I913-T916 HydrophobicContact CG2-CG2 3.81Å; T916-L918 PolarHBondContact O-N 3.39Å
917	N	83.7	Confident	70.1	Confident	128 Å²	128	83.7 Å²	83.7	68%	0.684	47%	0.474	S	S	*	.			trans	57.5	28	-179.7	-58.2	-87.1	0	0	0	114.1	G899 N919	G899-N917 PolarHBondContact O-N 2.83Å; N917-N919 PolarHBondContact O-N 3.03Å
918	L	83.2	Confident	67.3	Low	7 Å²	7	90.3 Å²	90.3	4%	0.037	49%	0.493	C	S	.	.			trans	-58.8	-14	-179.3	-71.8	167.7	0	0	0	114.4	I824 W842 F894 G899 L901 F915 T916 I920 F939	I824-L918 HydrophobicContact CD1-CD1 4.06Å; W842-L918 VanDerWaalsContact CD1-CD2 3.46Å; W842-L918 HydrophobicContact CD2-CD2 3.73Å; W842-L918 HydrophobicContact CG-CD2 3.71Å; W842-L918 HydrophobicContact CZ2-CD2 4.27Å; W842-L918 VanDerWaalsContact NE1-CD2 3.31Å; F894-L918 HydrophobicContact CD2-CD1 4.25Å; F894-L918 HydrophobicContact CE2-CB 4.47Å; F894-L918 HydrophobicContact CE2-CD1 3.73Å; G899-L918 WeakPolarHBondContact O-CB 3.43Å; G899-L918 WeakPolarHBondContact O-CG 3.38Å; G899-L918 PolarHBondContact O-N 3.45Å; L901-L918 HydrophobicContact CB-CD1 3.71Å; F915-L918 HydrophobicContact CB-CD1 3.97Å; F915-L918 HydrophobicContact CB-CD2 3.84Å; F915-L918 HydrophobicContact CB-CG 4Å; F915-L918 HydrophobicContact CG-CD2 4.49Å; T916-L918 PolarHBondContact O-N 3.39Å; L918-I920 PolarHBondContact O-N 3.4Å; L918-F939 VanDerWaalsContact O-CZ 3.29Å; L918-F939 WeakPolarHBondContact O-CZ 3.48Å
919	N	66.6	Low	64.5	Low	47 Å²	47	91.5 Å²	91.5	25%	0.251	50%	0.504	S	S	.	.			trans	-67.7	71.2	170	-76.9	-41.9	0	0	0	112.1	C896 N917 K921	C896-N919 PolarHBondContact O-ND2 3.31Å; N917-N919 PolarHBondContact O-N 3.03Å; N919-K921 VanDerWaalsContact C-N 3.27Å; N919-K921 PolarHBondContact O-N 3.27Å
920	I	54.8	Low	61.5	Low	68 Å²	68	91 Å²	91	35%	0.349	51%	0.512	S	S	.	.			trans	-64.2	88.2	170.2	-58.9	172.4	0	0	0	108.3	W842 L918 Q922 N937	W842-I920 HydrophobicContact CH2-CD1 4.18Å; W842-I920 HydrophobicContact CZ2-CD1 3.77Å; L918-I920 PolarHBondContact O-N 3.4Å; I920-Q922 PolarHBondContact O-N 3.24Å; I920-N937 PolarHBondContact O-ND2 3.31Å; I920-N937 VanDerWaalsContact O-ND2 3.09Å
921	K	48.5	Very low	58.7	Low	149 Å²	149	96.8 Å²	96.8	65%	0.648	54%	0.544	S	S	*	.			trans	-56.2	121.2	154.9	-61.7	152.1	-169.5	156.6	0	105.8	N919 G923	N919-K921 VanDerWaalsContact C-N 3.27Å; N919-K921 PolarHBondContact O-N 3.27Å; K921-G923 VanDerWaalsContact C-N 3.27Å; K921-G923 PolarHBondContact O-N 3.44Å
922	Q	41.3	Very low	56.1	Low	149 Å²	149	101.9 Å²	101.9	70%	0.696	56%	0.562	S	S	*	*			trans	-62.3	96.3	166.8	-78.7	-177.2	-40.3	0	0	108	I920 D924	I920-Q922 PolarHBondContact O-N 3.24Å; Q922-D924 PolarHBondContact O-N 3.08Å
923	G	33.5	Very low	53.9	Low	67 Å²	67	105.5 Å²	105.5	69%	0.691	57%	0.57	S	S	*	*			trans	-83.2	63.7	178.3	0	0	0	0	0	109.9	K921 K925	K921-G923 VanDerWaalsContact C-N 3.27Å; K921-G923 PolarHBondContact O-N 3.44Å; G923-K925 PolarHBondContact O-N 3.3Å
924	D	36.2	Very low	51.8	Low	151 Å²	151	110 Å²	110	81%	0.807	59%	0.588	S	S	*	*			trans	-61.2	131.5	174.6	-102.6	-32.6	0	0	0	109.9	Q922	Q922-D924 PolarHBondContact O-N 3.08Å
925	K	33.2	Very low	50	Low	185 Å²	185	118.5 Å²	118.5	80%	0.804	62%	0.624	S	S	*	*			trans	-80.7	152.4	173.5	-64.9	164.6	-174.5	166.4	0	107.3	G923	G923-K925 PolarHBondContact O-N 3.3Å
926	S	29.7	Very low	48.7	Very low	109 Å²	109	121.5 Å²	121.5	76%	0.762	64%	0.641	S	S	*	*			trans	54.2	89.6	-176.2	47.1	0	0	0	0	115.2
927	N	32.1	Very low	48.3	Very low	153 Å²	153	119.8 Å²	119.8	82%	0.818	63%	0.629	S	S	*	*				-157.7	159.4	93.5	-89.2	-24.9	0	0	0	111.8
928	Q	33.4	Very low	48.6	Very low	181 Å²	181	116 Å²	116	85%	0.846	61%	0.608	S	S	*	*			trans	-93.8	158.9	165	-71.4	178.9	-28.1	0	0	108.8
929	D	32.6	Very low	49.2	Very low	165 Å²	165	115.7 Å²	115.7	88%	0.882	61%	0.607	S	S	*	*	S	Bend	trans	67.5	142.8	-175.7	-53.2	-32.7	0	0	0	116.5
930	G	33	Very low	50.6	Low	64 Å²	64	116.1 Å²	116.1	66%	0.66	61%	0.605	S	S	*	*	S	Bend	trans	103.2	114.3	173.8	0	0	0	0	0	116	N932	G930-N932 PolarHBondContact O-N 3.41Å
931	D	36.1	Very low	52.6	Low	139 Å²	139	112.9 Å²	112.9	74%	0.743	59%	0.589	S	S	*	*			trans	-45.3	73.9	-178.9	-169.7	33.4	0	0	0	116.8	K933	D931-K933 PolarHBondContact O-N 3.48Å
932	N	34.2	Very low	54.9	Low	147 Å²	147	105.8 Å²	105.8	79%	0.786	56%	0.558	S	S	*	*			trans	-69.4	87	-175.4	-102.1	-45.1	0	0	0	113.7	G930 K934	G930-N932 PolarHBondContact O-N 3.41Å; N932-K934 PolarHBondContact O-N 3.38Å
933	K	45.4	Very low	57.6	Low	148 Å²	148	98.7 Å²	98.7	64%	0.643	53%	0.525	S	S	*	.			trans	-69.6	114.5	168.1	-84.7	173.6	-179.9	149.3	0	110.9	D931 K935	D931-K933 PolarHBondContact O-N 3.48Å; K933-K935 PolarHBondContact O-N 3.04Å
934	K	49.8	Very low	60.6	Low	165 Å²	165	95.5 Å²	95.5	72%	0.717	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-60.9	117.1	-174.9	-63.7	153.2	-171.2	158.6	0	111.1	N932 L936	N932-K934 PolarHBondContact O-N 3.38Å; K934-L936 PolarHBondContact O-N 3.41Å
935	K	55.9	Low	63.4	Low	177 Å²	177	88.4 Å²	88.4	77%	0.77	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-67.8	126.5	167.8	-155.2	170.7	-174.2	176.9	0	108.5	K933	K933-K935 PolarHBondContact O-N 3.04Å
936	L	68.3	Low	66.2	Low	84 Å²	84	79.8 Å²	79.8	44%	0.44	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-87.2	144	173.9	-79.1	162.3	0	0	0	109.6	K934	K934-L936 PolarHBondContact O-N 3.41Å
937	N	83.4	Confident	69.3	Low	33 Å²	33	76.4 Å²	76.4	18%	0.176	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-82.9	152.2	175.2	-67.8	-17.7	0	0	0	110.5	S801 L826 I920 F939	S801-N937 WeakPolarHBondContact CB-O 3.38Å; L826-N937 HydrophobicContact CD2-CB 3.88Å; I920-N937 PolarHBondContact O-ND2 3.31Å; I920-N937 VanDerWaalsContact O-ND2 3.09Å; N937-F939 HydrophobicContact CB-CD2 4.4Å; N937-F939 HydrophobicContact CB-CE2 3.68Å; N937-F939 HydrophobicContact CB-CZ 3.87Å
938	I	89.8	Confident	72.2	Confident	48 Å²	48	75.3 Å²	75.3	25%	0.246	37%	0.374	C	S	.	.			trans	-111.5	118.3	175.2	-58.6	171.3	0	0	0	107.6	Y617 L826 Y940	Y617-I938 HydrophobicContact CD1-CD1 3.89Å; Y617-I938 HydrophobicContact CE1-CD1 3.47Å; Y617-I938 VanDerWaalsContact CE1-CD1 3.47Å; Y617-I938 HydrophobicContact CE1-CG1 4.22Å; L826-I938 VanDerWaalsContact CD2-O 3.3Å; L826-I938 WeakPolarHBondContact CD2-O 3.25Å; I938-Y940 HydrophobicContact CB-CE2 4.35Å; I938-Y940 HydrophobicContact CG2-CD2 4.43Å; I938-Y940 HydrophobicContact CG2-CE2 3.75Å
939	F	94.7	Very high	75.1	Confident	1 Å²	1	66.8 Å²	66.8	0%	0.004	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-104.3	120.2	-178.7	-61.7	-91.7	0	0	0	110.2	G799 F800 I824 A825 L826 W842 F894 L918 N937	G799-F939 WeakPolarHBondContact CA-O 3.41Å; F800-F939 PolarHBondContact N-O 3.18Å; F800-F939 PolarHBondContact O-N 3.39Å; I824-F939 HydrophobicContact CB-CB 4.46Å; I824-F939 HydrophobicContact CD1-CB 4.21Å; I824-F939 HydrophobicContact CD1-CD1 3.78Å; I824-F939 HydrophobicContact CD1-CE1 4.49Å; I824-F939 HydrophobicContact CD1-CG 4.18Å; I824-F939 HydrophobicContact CG1-CD1 4.38Å; A825-F939 WeakPolarHBondContact O-CA 3.34Å; L826-F939 HydrophobicContact CD2-CD1 3.64Å; L826-F939 HydrophobicContact CD2-CE1 3.61Å; L826-F939 HydrophobicContact CD2-CG 4.11Å; L826-F939 HydrophobicContact CD2-CZ 4.06Å; L826-F939 HydrophobicContact CG-CD1 4.46Å; L826-F939 HydrophobicContact CG-CE1 4.32Å; W842-F939 HydrophobicContact CE3-CD1 4.37Å; W842-F939 HydrophobicContact CE3-CE1 4.26Å; W842-F939 AromaticContact CH2-CE1 3.99Å; W842-F939 HydrophobicContact CH2-CE1 3.99Å; W842-F939 AromaticContact CZ3-CD1 3.98Å; W842-F939 HydrophobicContact CZ3-CD1 3.98Å; W842-F939 AromaticContact CZ3-CE1 3.67Å; W842-F939 HydrophobicContact CZ3-CE1 3.67Å; F894-F939 HydrophobicContact CE1-CB 3.7Å; F894-F939 AromaticContact CE1-CD2 3.9Å; F894-F939 HydrophobicContact CE1-CD2 3.9Å; F894-F939 AromaticContact CE1-CG 3.93Å; F894-F939 HydrophobicContact CE1-CG 3.93Å; F894-F939 HydrophobicContact CZ-CB 4.06Å; F894-F939 HydrophobicContact CZ-CD1 4.39Å; F894-F939 AromaticContact CZ-CD2 3.64Å; F894-F939 HydrophobicContact CZ-CD2 3.64Å; F894-F939 HydrophobicContact CZ-CE2 4.16Å; F894-F939 AromaticContact CZ-CG 3.78Å; F894-F939 HydrophobicContact CZ-CG 3.78Å; L918-F939 VanDerWaalsContact O-CZ 3.29Å; L918-F939 WeakPolarHBondContact O-CZ 3.48Å; N937-F939 HydrophobicContact CB-CD2 4.4Å; N937-F939 HydrophobicContact CB-CE2 3.68Å; N937-F939 HydrophobicContact CB-CZ 3.87Å
940	Y	95.9	Very high	78.1	Confident	56 Å²	56	63.4 Å²	63.4	22%	0.22	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.7	176.4	-62.8	-93.3	0	0	0	109.7	G796 I824 A825 A827 I938 A942	G796-Y940 WeakPolarHBondContact O-CD1 3.31Å; I824-Y940 CarbonylContact C-O 3.33Å; I824-Y940 WeakPolarHBondContact CA-O 3.36Å; A825-Y940 PolarHBondContact N-O 3.5Å; A825-Y940 PolarHBondContact O-N 3.1Å; A827-Y940 HydrophobicContact CB-CE2 4.17Å; I938-Y940 HydrophobicContact CB-CE2 4.35Å; I938-Y940 HydrophobicContact CG2-CD2 4.43Å; I938-Y940 HydrophobicContact CG2-CE2 3.75Å; Y940-A942 PolarHBondContact O-N 3.03Å
941	P	97.5	Very high	81.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	135.5	159.4	-27	37.1	0	0	0	110	F762 L795 G796 V798 F800 W807	F762-P941 HydrophobicContact CD1-CG 4.39Å; F762-P941 HydrophobicContact CD2-CB 4.3Å; F762-P941 HydrophobicContact CD2-CG 3.99Å; F762-P941 HydrophobicContact CE1-CG 3.9Å; F762-P941 HydrophobicContact CE2-CB 3.46Å; F762-P941 VanDerWaalsContact CE2-CB 3.46Å; F762-P941 HydrophobicContact CE2-CG 3.47Å; F762-P941 VanDerWaalsContact CE2-CG 3.47Å; F762-P941 HydrophobicContact CG-CG 4.43Å; F762-P941 HydrophobicContact CZ-CB 3.62Å; F762-P941 HydrophobicContact CZ-CG 3.41Å; F762-P941 VanDerWaalsContact CZ-CG 3.41Å; L795-P941 CarbonylContact C-O 3.45Å; L795-P941 WeakPolarHBondContact CA-O 3.17Å; G796-P941 PolarHBondContact N-O 3.22Å; V798-P941 WeakPolarHBondContact O-CD 3.45Å; F800-P941 HydrophobicContact CD2-CG 4.46Å; F800-P941 HydrophobicContact CE2-CG 3.65Å; F800-P941 HydrophobicContact CZ-CG 4.2Å; W807-P941 HydrophobicContact CH2-CB 4.45Å; W807-P941 HydrophobicContact CH2-CG 4.19Å; W807-P941 HydrophobicContact CZ2-CB 3.78Å; W807-P941 HydrophobicContact CZ2-CG 4Å
942	A	97.5	Very high	84	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	146.9	-174.8	0	0	0	0	0	111.6	L795 G823 A825 L835 Y940	L795-A942 HydrophobicContact CD2-CB 3.63Å; G823-A942 PolarHBondContact N-O 3.48Å; G823-A942 PolarHBondContact O-N 3.29Å; A825-A942 HydrophobicContact CB-CB 3.83Å; L835-A942 HydrophobicContact CD1-CB 3.65Å; L835-A942 HydrophobicContact CD2-CB 3.59Å; L835-A942 WeakPolarHBondContact CD2-O 3.35Å; L835-A942 HydrophobicContact CG-CB 4.28Å; Y940-A942 PolarHBondContact O-N 3.03Å
943	I	97	Very high	87	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	144	175	-168.7	175.2	0	0	0	109	M764 I783 V793 L794 W809 S821 F822 L945 V951	M764-I943 HydrophobicContact CE-CG2 3.76Å; I783-I943 HydrophobicContact CD1-CD1 4.45Å; V793-I943 WeakPolarHBondContact CA-O 3.38Å; L794-I943 HydrophobicContact CB-CG2 4.19Å; L794-I943 PolarHBondContact N-O 2.76Å; L794-I943 PolarHBondContact O-N 3.14Å; L794-I943 VanDerWaalsContact O-N 3.13Å; W809-I943 HydrophobicContact CD2-CD1 4.33Å; W809-I943 HydrophobicContact CE3-CD1 3.99Å; W809-I943 HydrophobicContact CH2-CB 3.95Å; W809-I943 HydrophobicContact CH2-CD1 4.1Å; W809-I943 HydrophobicContact CH2-CG2 4.02Å; W809-I943 HydrophobicContact CZ2-CB 3.95Å; W809-I943 HydrophobicContact CZ2-CD1 4.46Å; W809-I943 HydrophobicContact CZ2-CG2 4.47Å; W809-I943 HydrophobicContact CZ3-CD1 3.88Å; S821-I943 CarbonylContact O-C 3.52Å; S821-I943 VanDerWaalsContact O-CA 3.27Å; S821-I943 WeakPolarHBondContact O-CA 3.42Å; F822-I943 HydrophobicContact CD1-CD1 3.93Å; F822-I943 HydrophobicContact CD1-CG1 3.84Å; F822-I943 HydrophobicContact CE1-CD1 3.55Å; F822-I943 HydrophobicContact CE1-CG1 3.85Å; I943-L945 HydrophobicContact CD1-CD1 4.12Å; I943-L945 HydrophobicContact CD1-CD2 3.85Å; I943-L945 HydrophobicContact CD1-CG 3.93Å; I943-L945 HydrophobicContact CG1-CD2 4.11Å; I943-L945 HydrophobicContact CG1-CG 4.1Å; I943-V951 HydrophobicContact CD1-CB 4.15Å; I943-V951 HydrophobicContact CD1-CG1 4.34Å; I943-V951 HydrophobicContact CD1-CG2 4.26Å
944	S	95.8	Very high	89.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.4	156.9	78.9	0	0	0	0	111.6	D791 R792 P820 S821 L835	D791-S944 WeakPolarHBondContact OD1-CB 3.21Å; D791-S944 PolarHBondContact OD1-OG 3.28Å; R792-S944 WeakPolarHBondContact O-CA 3.23Å; R792-S944 WeakPolarHBondContact O-CB 3.29Å; P820-S944 WeakPolarHBondContact CA-O 3.41Å; S821-S944 WeakPolarHBondContact CB-OG 3.5Å; S821-S944 PolarHBondContact N-O 3.35Å; S821-S944 PolarHBondContact O-N 3.06Å; L835-S944 PolarHBondContact N-OG 3.15Å
945	L	95.3	Very high	91.7	Very high	1 Å²	1	40 Å²	40	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.2	-179.6	-62.8	179.5	0	0	0	110.8	L774 I783 A785 D791 R792 P820 I943 T949 V951	L774-L945 HydrophobicContact CD2-CB 3.84Å; I783-L945 HydrophobicContact CB-CD1 3.99Å; I783-L945 HydrophobicContact CG2-CD1 3.88Å; A785-L945 HydrophobicContact CB-CB 3.99Å; D791-L945 PolarHBondContact OD1-N 2.98Å; R792-L945 PolarHBondContact N-O 3.32Å; R792-L945 PolarHBondContact O-N 3.43Å; P820-L945 HydrophobicContact CB-CD2 3.55Å; I943-L945 HydrophobicContact CD1-CD1 4.12Å; I943-L945 HydrophobicContact CD1-CD2 3.85Å; I943-L945 HydrophobicContact CD1-CG 3.93Å; I943-L945 HydrophobicContact CG1-CD2 4.11Å; I943-L945 HydrophobicContact CG1-CG 4.1Å; L945-T949 HydrophobicContact CD2-CG2 3.85Å; L945-V951 HydrophobicContact CD1-CG2 4.26Å; L945-V951 HydrophobicContact CD2-CG2 3.74Å
946	S	93.2	Very high	93.4	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.028	16%	0.157	C	C	.	.			trans	-141.1	170.8	169.9	50.2	0	0	0	0	110.4	D791 T949	D791-S946 WeakPolarHBondContact OD2-CB 3.5Å; D791-S946 PolarHBondContact OD2-OG 3.39Å; S946-T949 WeakPolarHBondContact O-CB 3.4Å; S946-T949 PolarHBondContact O-OG1 3.07Å
947	H	94	Very high	94.6	Very high	39 Å²	39	31.2 Å²	31.2	18%	0.181	15%	0.149	C	C	.	.	S	Bend	trans	55.4	-153.2	-179.4	-66.5	-83.9	0	0	0	113.1	A785 G787 D788 K817 T949	A785-H947 CarbonylContact C-O 3.53Å; A785-H947 WeakPolarHBondContact CB-O 3.2Å; G787-H947 PolarHBondContact N-O 3.2Å; G787-H947 VanDerWaalsContact N-O 3.16Å; D788-H947 WeakPolarHBondContact O-CA 3.5Å; D788-H947 PolarHBondContact O-N 2.81Å; K817-H947 HydrophobicContact CB-CB 4.3Å; H947-T949 VanDerWaalsContact C-N 3.35Å; H947-T949 PolarHBondContact O-N 3.06Å
948	Y	93.8	Very high	95	Very high	129 Å²	129	35.5 Å²	35.5	51%	0.506	17%	0.167	S	C	.	.	S	Bend	trans	-88.9	76.7	175.6	-72.3	-69.7	0	0	0	110.2	Q786 Y814 D815	Q786-Y948 WeakPolarHBondContact O-CE1 3.43Å; Q786-Y948 PolarHBondContact O-OH 2.81Å; Y814-Y948 WeakPolarHBondContact CA-O 3.45Å; D815-Y948 PolarHBondContact N-O 3.03Å
949	T	94.3	Very high	95.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132	177.4	-47.2	0	0	0	0	110.4	A785 V811 Q813 Y814 P820 L945 S946 H947 V951	A785-T949 PolarHBondContact N-O 3.01Å; V811-T949 HydrophobicContact CG1-CG2 4.43Å; Q813-T949 CarbonylContact O-C 3.55Å; Q813-T949 WeakPolarHBondContact O-CA 3.47Å; Y814-T949 HydrophobicContact CD2-CG2 4.12Å; P820-T949 HydrophobicContact CB-CG2 4.2Å; P820-T949 HydrophobicContact CG-CG2 4.22Å; L945-T949 HydrophobicContact CD2-CG2 3.85Å; S946-T949 WeakPolarHBondContact O-CB 3.4Å; S946-T949 PolarHBondContact O-OG1 3.07Å; H947-T949 VanDerWaalsContact C-N 3.35Å; H947-T949 PolarHBondContact O-N 3.06Å; T949-V951 HydrophobicContact CG2-CG2 4.06Å
950	R	95	Very high	94.7	Very high	94 Å²	94	37.3 Å²	37.3	36%	0.355	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131	175	176.2	175.6	156.2	135.4	-1.9	109.6	T782 I783 S784 E812 Q813	T782-R950 HydrophobicContact CG2-CG 4.31Å; I783-R950 WeakPolarHBondContact O-CA 3.35Å; S784-R950 WeakPolarHBondContact OG-CD 3.32Å; S784-R950 WeakPolarHBondContact OG-CG 3.45Å; E812-R950 HydrophobicContact CB-CG 4.3Å; E812-R950 PolarHBondContact N-O 3.02Å; E812-R950 IonicContact OE2-CZ 3.22Å; E812-R950 IonicContact OE2-NE 3.58Å; E812-R950 PolarHBondContact OE2-NE 3.09Å; E812-R950 IonicContact OE2-NH2 2.79Å; E812-R950 PolarHBondContact OE2-NH2 2.91Å; Q813-R950 HydrophobicContact CB-CB 3.73Å; Q813-R950 PolarHBondContact N-O 3.04Å; Q813-R950 VanDerWaalsContact N-O 3.07Å; Q813-R950 PolarHBondContact O-N 3.38Å
951	V	96.4	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.8	-176.1	-166	0	0	0	0	109.7	I783 W809 N810 V811 F822 I943 L945 T949	I783-V951 PolarHBondContact N-O 2.82Å; I783-V951 PolarHBondContact O-N 2.97Å; W809-V951 HydrophobicContact CB-CG1 3.84Å; W809-V951 HydrophobicContact CD2-CG1 4.45Å; W809-V951 HydrophobicContact CE3-CG1 3.87Å; N810-V951 CarbonylContact O-C 3.36Å; N810-V951 VanDerWaalsContact O-CA 3.3Å; N810-V951 WeakPolarHBondContact O-CA 3.4Å; N810-V951 VanDerWaalsContact O-CG1 3.26Å; N810-V951 WeakPolarHBondContact O-CG1 3.45Å; V811-V951 HydrophobicContact CG1-CG2 4.37Å; V811-V951 HydrophobicContact CG2-CG1 4.31Å; V811-V951 HydrophobicContact CG2-CG2 4.27Å; F822-V951 HydrophobicContact CE1-CG1 3.99Å; F822-V951 HydrophobicContact CE1-CG2 4.32Å; F822-V951 HydrophobicContact CZ-CG1 4.48Å; F822-V951 HydrophobicContact CZ-CG2 4.33Å; I943-V951 HydrophobicContact CD1-CB 4.15Å; I943-V951 HydrophobicContact CD1-CG1 4.34Å; I943-V951 HydrophobicContact CD1-CG2 4.26Å; L945-V951 HydrophobicContact CD1-CG2 4.26Å; L945-V951 HydrophobicContact CD2-CG2 3.74Å; T949-V951 HydrophobicContact CG2-CG2 4.06Å
952	R	96.9	Very high	92.3	Very high	97 Å²	97	43.9 Å²	43.9	37%	0.366	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.2	175.6	-173.6	166.7	-178	-81.5	-7.3	111.4	D779 C781 T782 N810 E812	D779-R952 IonicContact OD2-NE 3.58Å; C781-R952 WeakPolarHBondContact O-CA 3.42Å; T782-R952 HydrophobicContact CG2-CB 4.41Å; T782-R952 WeakPolarHBondContact OG1-CD 3.48Å; N810-R952 PolarHBondContact N-O 3.11Å; N810-R952 PolarHBondContact O-N 2.98Å; E812-R952 HydrophobicContact CG-CB 4.18Å; E812-R952 WeakPolarHBondContact OE1-CB 3.13Å; E812-R952 WeakPolarHBondContact OE1-CD 3.42Å
953	L	97.9	Very high	89.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.8	174	177.6	63.9	0	0	0	111.3	F762 M764 C781 W807 W809	F762-L953 HydrophobicContact CD2-CD2 3.73Å; F762-L953 HydrophobicContact CE2-CD1 3.74Å; F762-L953 HydrophobicContact CE2-CD2 3.45Å; F762-L953 VanDerWaalsContact CE2-CD2 3.45Å; F762-L953 HydrophobicContact CE2-CG 4.2Å; F762-L953 HydrophobicContact CZ-CD1 3.75Å; F762-L953 HydrophobicContact CZ-CD2 4.2Å; F762-L953 WeakPolarHBondContact O-CD2 3.43Å; M764-L953 HydrophobicContact SD-CD2 4.31Å; C781-L953 HydrophobicContact CB-CB 4.13Å; C781-L953 WeakPolarHBondContact O-CB 3.45Å; C781-L953 PolarHBondContact O-N 2.86Å; W807-L953 HydrophobicContact CB-CD1 4.42Å; W807-L953 HydrophobicContact CG-CD1 4.43Å; W809-L953 HydrophobicContact CD2-CD1 4.37Å; W809-L953 HydrophobicContact CE3-CB 4.07Å; W809-L953 HydrophobicContact CE3-CD1 4.17Å; W809-L953 HydrophobicContact CH2-CB 4.39Å; W809-L953 HydrophobicContact CH2-CD1 4.05Å; W809-L953 HydrophobicContact CZ2-CD1 4.22Å; W809-L953 HydrophobicContact CZ3-CB 3.71Å; W809-L953 HydrophobicContact CZ3-CD1 4Å; W809-L953 HydrophobicContact CZ3-CG 4.37Å
954	V	97	Very high	86.8	Confident	48 Å²	48	56.8 Å²	56.8	29%	0.291	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	100.5	165	-172.7	0	0	0	0	108.1	E808 L957	E808-V954 HydrophobicContact CB-CB 4.26Å; E808-V954 PolarHBondContact N-O 3.41Å; E808-V954 PolarHBondContact O-N 3.36Å; V954-L957 HydrophobicContact CB-CD1 4.41Å; V954-L957 HydrophobicContact CG1-CD1 4.01Å; V954-L957 HydrophobicContact CG1-CD2 3.9Å; V954-L957 HydrophobicContact CG1-CG 4.08Å
955	S	95.2	Very high	83.6	Confident	24 Å²	24	62.6 Å²	62.6	17%	0.168	33%	0.325	C	S	.	.			trans	-99.7	174.5	174.4	60.3	0	0	0	0	110.8	F762	F762-S955 PolarHBondContact N-OG 2.94Å; F762-S955 PolarHBondContact O-OG 2.93Å
956	G	92.2	Very high	80.6	Confident	29 Å²	29	67.8 Å²	67.8	30%	0.299	36%	0.361	S	S	.	.	S	Bend	trans	76.9	20.7	-179.2	0	0	0	0	0	115.1	L759 A760	L759-G956 VanDerWaalsContact CD1-O 3.22Å; L759-G956 WeakPolarHBondContact CD1-O 3.45Å; A760-G956 WeakPolarHBondContact O-CA 3.46Å; A760-G956 PolarHBondContact O-N 2.71Å
957	L	93.6	Very high	77.5	Confident	48 Å²	48	73.3 Å²	73.3	25%	0.251	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-86.8	157.8	-178.7	-62.5	179.2	0	0	0	112.7	Y806 E808 V954	Y806-L957 HydrophobicContact CD1-CB 3.78Å; Y806-L957 HydrophobicContact CD1-CD1 4.12Å; Y806-L957 HydrophobicContact CE1-CB 4.32Å; Y806-L957 HydrophobicContact CE1-CD1 3.91Å; E808-L957 HydrophobicContact CB-CD1 3.81Å; E808-L957 HydrophobicContact CG-CD1 3.61Å; V954-L957 HydrophobicContact CB-CD1 4.41Å; V954-L957 HydrophobicContact CG1-CD1 4.01Å; V954-L957 HydrophobicContact CG1-CD2 3.9Å; V954-L957 HydrophobicContact CG1-CG 4.08Å
958	E	92.7	Very high	74.4	Confident	123 Å²	123	78.8 Å²	78.8	58%	0.575	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-74.7	146.5	169.9	-62.4	-157.1	111.4	0	0	111.2	R758 L759 Y806 P960	R758-E958 IonicContact CZ-OE1 3.36Å; R758-E958 IonicContact NH1-OE1 3.96Å; R758-E958 PolarHBondContact NH1-OE1 3.04Å; R758-E958 IonicContact NH2-OE1 3.82Å; R758-E958 PolarHBondContact NH2-OE1 2.95Å; L759-E958 HydrophobicContact CD1-CG 4.09Å; Y806-E958 VanDerWaalsContact CD1-O 3.25Å; Y806-E958 WeakPolarHBondContact CD1-O 3.36Å; E958-P960 WeakPolarHBondContact O-CD 3.48Å
959	V	90.9	Very high	71.5	Confident	50 Å²	50	77.2 Å²	77.2	30%	0.303	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-72.9	124.5	176	179.3	0	0	0	0	109.3	I804 R893	I804-V959 HydrophobicContact CB-CG2 4.48Å; I804-V959 HydrophobicContact CG2-CG1 3.76Å; I804-V959 HydrophobicContact CG2-CG2 4.14Å; I804-V959 WeakPolarHBondContact O-CG2 3.47Å; R893-V959 HydrophobicContact CG-CG1 4.23Å; R893-V959 VanDerWaalsContact NE-CG1 3.32Å
960	P	87.4	Confident	68.6	Low	37 Å²	37	81.5 Å²	81.5	24%	0.24	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-58.1	140.7	173.8	-25	34.1	0	0	0	111.8	Y806 Y904 E958	Y806-P960 HydrophobicContact CD1-CG 4.22Å; Y806-P960 HydrophobicContact CD2-CG 4.1Å; Y806-P960 HydrophobicContact CE1-CG 4.06Å; Y806-P960 HydrophobicContact CE2-CG 3.92Å; Y806-P960 VanDerWaalsContact CG-CD 3.48Å; Y806-P960 HydrophobicContact CG-CG 4.25Å; Y904-P960 HydrophobicContact CE1-CB 3.92Å; Y904-P960 HydrophobicContact CE1-CG 4.14Å; E958-P960 WeakPolarHBondContact O-CD 3.48Å
961	S	76.6	Confident	65.4	Low	107 Å²	107	86.2 Å²	86.2	75%	0.748	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-57	136.6	171.5	-58.6	0	0	0	0	110.6	S963	S961-S963 PolarHBondContact O-N 3.48Å; S961-S963 VanDerWaalsContact O-N 3.13Å
962	E	65.2	Low	62.2	Low	87 Å²	87	90.7 Å²	90.7	41%	0.407	53%	0.531	S	S	.	.			trans	-69.9	102.8	159.3	-71.1	175.4	178.6	0	0	106.6	R893 R898	R893-E962 IonicContact CZ-OE1 2.83Å; R893-E962 IonicContact NH1-OE1 2.69Å; R893-E962 PolarHBondContact NH1-OE1 3.34Å; R893-E962 IonicContact NH2-OE1 3.86Å; R893-E962 PolarHBondContact NH2-OE1 3.31Å; R898-E962 IonicContact CZ-OE2 2.73Å; R898-E962 VanDerWaalsContact NH1-CD 3.32Å; R898-E962 IonicContact NH1-OE1 3.73Å; R898-E962 PolarHBondContact NH1-OE1 3.46Å; R898-E962 IonicContact NH1-OE2 2.76Å; R898-E962 PolarHBondContact NH1-OE2 3.44Å; R898-E962 IonicContact NH2-OE2 3.73Å
963	S	45.9	Very low	58.8	Low	71 Å²	71	94.9 Å²	94.9	50%	0.497	56%	0.555	S	S	.	*			trans	-71.1	141.8	171.6	52.6	0	0	0	0	109.9	S961 D965	S961-S963 PolarHBondContact O-N 3.48Å; S961-S963 VanDerWaalsContact O-N 3.13Å; S963-D965 WeakPolarHBondContact CB-OD2 3.43Å; S963-D965 PolarHBondContact O-N 3.37Å; S963-D965 PolarHBondContact OG-OD2 3.49Å
964	E	32.6	Very low	55.6	Low	201 Å²	201	106 Å²	106	94%	0.939	60%	0.599	S	S	*	*			trans	-80.7	47.9	-176.7	-62.3	-171.4	153.1	0	0	111.7
965	D	30	Very low	52.1	Low	122 Å²	122	110.1 Å²	110.1	65%	0.652	62%	0.619	S	S	*	*			trans	-83.7	128.9	-166.4	-77	-49.6	0	0	0	115	S963	S963-D965 WeakPolarHBondContact CB-OD2 3.43Å; S963-D965 PolarHBondContact O-N 3.37Å; S963-D965 PolarHBondContact OG-OD2 3.49Å
966	S	32	Very low	49	Very low	109 Å²	109	116.6 Å²	116.6	76%	0.762	65%	0.651	S	S	*	*			trans	63.6	77.8	155.8	64.6	0	0	0	0	118.4	D968	S966-D968 PolarHBondContact O-N 2.8Å
967	S	28.2	Very low	45.8	Very low	120 Å²	120	120.1 Å²	120.1	84%	0.839	67%	0.671	S	S	*	*			trans	-77.8	99.1	141.5	61.4	0	0	0	0	109	S969	S967-S969 PolarHBondContact O-N 2.7Å
968	D	29.3	Very low	42.8	Very low	154 Å²	154	126.2 Å²	126.2	82%	0.824	70%	0.703	S	S	*	*			trans	-72.6	118	-176.4	-174.4	12.8	0	0	0	112.6	S966	S966-D968 PolarHBondContact O-N 2.8Å
969	S	32.7	Very low	39.7	Very low	97 Å²	97	125.5 Å²	125.5	68%	0.678	71%	0.711	S	S	*	*			trans	-159.6	80.4	166.4	68.4	0	0	0	0	112.5	S967	S967-S969 PolarHBondContact O-N 2.7Å
970	S	32.1	Very low	36.9	Very low	91 Å²	91	129.1 Å²	129.1	64%	0.636	73%	0.734	S	S	*	*			trans	28.8	122.8	143.6	63.3	0	0	0	0	120.9
971	E	28	Very low	33.9	Very low	194 Å²	194	133.4 Å²	133.4	91%	0.907	76%	0.762	S	S	*	*			trans	67.9	137.2	152.1	-59.7	173.1	-153.9	0	0	117.1
972	A	29.7	Very low	31.6	Very low	93 Å²	93	136.9 Å²	136.9	77%	0.769	77%	0.766	S	S	*	*			cis	-148.5	-171.4	16.3	0	0	0	0	0	112.4
973	E	26	Very low	29.8	Very low	185 Å²	185	142.5 Å²	142.5	86%	0.864	79%	0.79	S	S	*	*			trans	-52.5	138.5	179.3	-56	164.4	115.2	0	0	114.2
974	Y	30.7	Very low	28.8	Very low	236 Å²	236	147.2 Å²	147.2	93%	0.925	80%	0.803	S	S	*	*				-160.5	139.5	120.8	-119	-75.5	0	0	0	112.1
975	D	24	Very low	28.7	Very low	135 Å²	135	147.5 Å²	147.5	72%	0.722	80%	0.802	S	S	*	*			trans	-78.2	136.6	179.7	177.4	25.5	0	0	0	112.4
976	L	29.8	Very low	28.5	Very low	160 Å²	160	148.6 Å²	148.6	84%	0.838	81%	0.808	S	S	*	*			trans	-175.3	127.3	133.8	-102.1	160.9	0	0	0	113.3
977	S	25.4	Very low	28.4	Very low	102 Å²	102	149 Å²	149	71%	0.713	81%	0.81	S	S	*	*			trans	-62.5	144.6	178.9	59.1	0	0	0	0	115.4
978	L	28.7	Very low	28.6	Very low	176 Å²	176	150 Å²	150	92%	0.921	81%	0.812	S	S	*	*			trans	-114.6	115.5	165.2	-124.1	161.1	0	0	0	109.2
979	S	28.9	Very low	28.7	Very low	108 Å²	108	145.9 Å²	145.9	76%	0.755	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-89.6	129.5	-170.2	38.4	0	0	0	0	113.4
980	T	30.7	Very low	28.7	Very low	127 Å²	127	147.4 Å²	147.4	78%	0.779	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-74.7	139.7	168.8	18.7	0	0	0	0	111.2	Q982	T980-Q982 PolarHBondContact O-N 2.82Å
981	P	25.7	Very low	28.4	Very low	127 Å²	127	152 Å²	152	83%	0.825	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-79.6	118.4	171.6	31.2	-31.8	0	0	0	110.4
982	Q	29	Very low	28.6	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	83%	0.827	S	S	*	*			trans	-126.9	160.7	166.1	-82.9	-164.7	-22.9	0	0	111.8	T980	T980-Q982 PolarHBondContact O-N 2.82Å
983	F	27.2	Very low	28.4	Very low	205 Å²	205	157.8 Å²	157.8	90%	0.899	83%	0.829	S	S	*	*			trans	-72	140.4	-161.2	-72.4	-102.6	0	0	0	113.4	F985	F983-F985 PolarHBondContact O-N 3.18Å
984	H	25.1	Very low	29	Very low	169 Å²	169	154.1 Å²	154.1	78%	0.782	82%	0.821	S	S	*	*			trans	-66.8	121.5	167.7	-93	-87.6	0	0	0	111.2
985	F	29.1	Very low	28.9	Very low	207 Å²	207	149.2 Å²	149.2	91%	0.908	81%	0.81	S	S	*	*			trans	-129.9	133.5	143.4	-100.2	-85.8	0	0	0	108.6	F983	F983-F985 PolarHBondContact O-N 3.18Å
986	N	25.5	Very low	29.1	Very low	145 Å²	145	149.4 Å²	149.4	78%	0.775	81%	0.811	S	S	*	*			trans	-83.8	137.8	-174.2	-67.6	-21.6	0	0	0	111.2
987	S	30.6	Very low	29.3	Very low	117 Å²	117	150.8 Å²	150.8	82%	0.818	81%	0.812	S	S	*	*			trans	-143.6	159.3	153.7	-163.3	0	0	0	0	110.4
988	T	33.4	Very low	29.4	Very low	141 Å²	141	152.8 Å²	152.8	87%	0.865	82%	0.815	S	S	*	*			trans	-75.7	161.4	-174.1	49.4	0	0	0	0	112.1
989	G	29.9	Very low	29.6	Very low	69 Å²	69	151.1 Å²	151.1	71%	0.711	81%	0.807	S	S	*	*			trans	-139.8	164.1	177.5	0	0	0	0	0	113.3
990	S	33.1	Very low	29.7	Very low	129 Å²	129	151.9 Å²	151.9	90%	0.902	80%	0.803	S	S	*	*			trans	-165.2	147.7	154.1	-83.6	0	0	0	0	109.3
991	K	26.2	Very low	29.8	Very low	188 Å²	188	151.8 Å²	151.8	82%	0.817	80%	0.797	S	S	*	*			trans	-112.6	140.1	170	-69	180	176.9	179.8	0	108.5
992	H	31.3	Very low	30	Very low	200 Å²	200	151.8 Å²	151.8	93%	0.926	79%	0.79	S	S	*	*			trans	-155.6	146.6	138.8	-96.9	-38	0	0	0	112.4
993	Y	26.2	Very low	30.2	Very low	207 Å²	207	149.9 Å²	149.9	81%	0.812	79%	0.786	S	S	*	*			trans	-82.1	177.5	165.9	-86.5	-77	0	0	0	108.6
994	P	38.3	Very low	30.2	Very low	108 Å²	108	144.9 Å²	144.9	70%	0.701	78%	0.777	S	S	*	*			cis	-157.1	159.9	38.6	45.9	-23.8	0	0	0	121.9
995	I	30.1	Very low	30.6	Very low	134 Å²	134	142 Å²	142	69%	0.687	78%	0.776	S	S	*	*				48.1	127.5	123.7	-53.4	176.7	0	0	0	121.2
996	D	27.9	Very low	30.5	Very low	139 Å²	139	139 Å²	139	74%	0.743	77%	0.769	S	S	*	*			trans	50.8	130.1	152.5	-55.9	-9.5	0	0	0	123.4
997	H	33.5	Very low	30.9	Very low	189 Å²	189	138.3 Å²	138.3	88%	0.875	77%	0.765	S	S	*	*				-161.4	156.1	103.3	-112.8	-84.6	0	0	0	113.1
998	N	28.1	Very low	30.9	Very low	143 Å²	143	140.9 Å²	140.9	77%	0.765	76%	0.764	S	S	*	*			trans	-68.9	154.6	175.1	-80.8	-34.4	0	0	0	113.3
999	D	33.1	Very low	30.9	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	76%	0.759	S	S	*	*				-162.7	116.4	114.9	-112.5	-27.5	0	0	0	116.1
1000	N	30.5	Very low	31	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	76%	0.761	S	S	*	*			trans	45.8	146.1	130.7	-81.6	-54.1	0	0	0	126
1001	N	31.6	Very low	31	Very low	124 Å²	124	143 Å²	143	66%	0.663	75%	0.747	S	S	*	*			trans	96.3	98.7	142.5	-71.4	-27.2	0	0	0	122.9
1002	N	30.8	Very low	31.1	Very low	128 Å²	128	142.5 Å²	142.5	68%	0.684	75%	0.745	S	S	*	*				100.9	138.7	110.5	-71.5	-20.1	0	0	0	123
1003	N	32.3	Very low	31.2	Very low	140 Å²	140	140.5 Å²	140.5	75%	0.749	74%	0.741	S	S	*	*			trans	69.2	118.7	159.2	-58.8	-19.8	0	0	0	118
1004	S	27.6	Very low	31.3	Very low	100 Å²	100	137.6 Å²	137.6	70%	0.699	74%	0.738	S	S	*	*			cis	100.3	156.1	25.8	81.6	0	0	0	0	114.6
1005	S	33	Very low	30.9	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	74%	0.74	S	S	*	*			trans	74.9	148.8	-172	79.1	0	0	0	0	116.4
1006	N	28.3	Very low	30.8	Very low	144 Å²	144	137.8 Å²	137.8	77%	0.77	74%	0.743	S	S	*	*			cis	-170.7	177.7	-43.7	-111	16.2	0	0	0	109.6
1007	N	32.9	Very low	30.9	Very low	130 Å²	130	141.2 Å²	141.2	70%	0.695	75%	0.747	S	S	*	*			trans	92	115.6	172	-53.9	3.1	0	0	0	113.7
1008	E	30.8	Very low	31	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	74%	0.741	S	S	*	*				70.4	135.6	61.5	-65.6	172.5	-174.5	0	0	112.1
1009	S	33	Very low	31	Very low	109 Å²	109	139.1 Å²	139.1	76%	0.762	75%	0.748	S	S	*	*			cis	-159.1	167.9	-6.3	54.6	0	0	0	0	108.9
1010	E	32.1	Very low	31	Very low	161 Å²	161	138.3 Å²	138.3	75%	0.752	75%	0.75	S	S	*	*			cis	-126.7	-132.2	-1.9	-145.8	-136.7	128	0	0	108.5	K1012	E1010-K1012 PolarHBondContact OE1-N 3.3Å
1011	N	33.4	Very low	30.8	Very low	112 Å²	112	138.9 Å²	138.9	60%	0.599	76%	0.759	S	S	*	*			cis	-140.8	160.7	-6.4	175	-104.9	0	0	0	110.5
1012	K	28.8	Very low	30.7	Very low	178 Å²	178	138.8 Å²	138.8	77%	0.774	77%	0.766	S	S	*	*			trans	-131.6	139.7	167.5	-70.7	177.9	-179.9	172.2	0	112.5	E1010	E1010-K1012 PolarHBondContact OE1-N 3.3Å
1013	N	33.2	Very low	30.4	Very low	159 Å²	159	140.6 Å²	140.6	85%	0.85	78%	0.775	S	S	*	*			trans	-140.3	147.9	155.8	-117.6	-42.5	0	0	0	111.6
1014	I	27.9	Very low	30.3	Very low	146 Å²	146	141 Å²	141	75%	0.749	78%	0.782	S	S	*	*			trans	-109	119.4	-161.5	-60.7	163.6	0	0	0	110.5
1015	V	30.3	Very low	30.4	Very low	122 Å²	122	147.4 Å²	147.4	74%	0.739	79%	0.791	S	S	*	*			trans	-142.4	119.8	155.1	-175.8	0	0	0	0	109.8	Y1017	V1015-Y1017 HydrophobicContact CG1-CD2 3.55Å; V1015-Y1017 HydrophobicContact CG1-CE2 3.76Å
1016	T	26.8	Very low	30	Very low	123 Å²	123	147 Å²	147	76%	0.755	79%	0.788	S	S	*	*			trans	-100.9	125.5	167.7	48.2	0	0	0	0	110.3
1017	Y	30.1	Very low	30.1	Very low	212 Å²	212	145.3 Å²	145.3	83%	0.831	78%	0.783	S	S	*	*			trans	-140.3	140.6	160.7	-83.6	-70.7	0	0	0	111	V1015	V1015-Y1017 HydrophobicContact CG1-CD2 3.55Å; V1015-Y1017 HydrophobicContact CG1-CE2 3.76Å
1018	P	36.3	Very low	30	Very low	114 Å²	114	145.3 Å²	145.3	74%	0.74	79%	0.788	S	S	*	*			trans	-87.2	160.9	179.6	35.8	-35.2	0	0	0	112.6	P1020	P1018-P1020 WeakPolarHBondContact O-CD 3Å
1019	L	27.7	Very low	29.9	Very low	174 Å²	174	141.6 Å²	141.6	91%	0.911	79%	0.786	S	S	*	*			trans	-70.1	135.7	170.8	-77	73.3	0	0	0	111.5
1020	P	33.4	Very low	29.8	Very low	124 Å²	124	142.3 Å²	142.3	81%	0.805	79%	0.789	S	S	*	*			trans	-104.1	142.3	157.3	35.3	-27.8	0	0	0	112	P1018	P1018-P1020 WeakPolarHBondContact O-CD 3Å
1021	T	26.2	Very low	29.6	Very low	137 Å²	137	141 Å²	141	84%	0.84	80%	0.795	S	S	*	*			trans	-74.4	129.9	-177.2	47.9	0	0	0	0	114.4
1022	C	29.1	Very low	29.3	Very low	122 Å²	122	143 Å²	143	82%	0.824	81%	0.805	S	S	*	*			trans	-142.6	117.1	148.2	-80	0	0	0	0	107.2
1023	L	25.8	Very low	29.3	Very low	165 Å²	165	146 Å²	146	86%	0.864	81%	0.811	S	S	*	*				48.8	96.6	77.2	-74.5	172.1	0	0	0	114.1
1024	V	30.1	Very low	29	Very low	148 Å²	148	146.7 Å²	146.7	90%	0.897	81%	0.806	S	S	*	*				-168.2	147.9	113	142.1	0	0	0	0	111.2
1025	R	29.9	Very low	29.1	Very low	236 Å²	236	146.1 Å²	146.1	89%	0.891	81%	0.813	S	S	*	*			trans	-72.1	145.4	179.5	-98.2	174.7	166.6	159.9	-7	114.1
1026	S	25.2	Very low	29.1	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	81%	0.809	S	S	*	*				-84.5	151.1	129.7	-156.6	0	0	0	0	107.4
1027	T	29.9	Very low	29.2	Very low	108 Å²	108	144.5 Å²	144.5	66%	0.663	81%	0.811	S	S	*	*			cis	-152	153.2	39.3	45	0	0	0	0	113.6
1028	T	29.6	Very low	29.6	Very low	130 Å²	130	139.7 Å²	139.7	80%	0.798	81%	0.806	S	S	*	*			trans	54.7	156.3	143.7	57.2	0	0	0	0	123.7
1029	A	28.9	Very low	29.3	Very low	93 Å²	93	141 Å²	141	77%	0.769	81%	0.807	S	S	*	*			trans	87	146.6	166	0	0	0	0	0	116.2
1030	P	31.6	Very low	29.5	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	80%	0.799	S	S	*	*				-120.6	142.8	-117.4	38.4	-29.2	0	0	0	116.4
1031	C	27.4	Very low	29.4	Very low	132 Å²	132	139.8 Å²	139.8	89%	0.892	80%	0.799	S	S	*	*			trans	-92.4	114.9	178.7	-75.1	0	0	0	0	113.8
1032	I	26.4	Very low	29.6	Very low	156 Å²	156	140 Å²	140	80%	0.8	79%	0.793	S	S	*	*			trans	-32.3	131.7	156.6	-62.5	155.8	0	0	0	112.6
1033	R	29.6	Very low	29.6	Very low	241 Å²	241	144.5 Å²	144.5	91%	0.909	79%	0.793	S	S	*	*			trans	-118.1	135.2	151.2	-79.3	-168.1	175.2	-167	0.2	110
1034	K	27.1	Very low	29.8	Very low	172 Å²	172	144.3 Å²	144.3	75%	0.748	79%	0.792	S	S	*	*			trans	-72.3	165.9	168.3	-57.2	179	-178.8	179.7	0	109.5
1035	P	30.8	Very low	30.2	Very low	135 Å²	135	142.1 Å²	142.1	88%	0.877	78%	0.781	S	S	*	*				-122.9	153.8	100	35.6	-33.9	0	0	0	112.9
1036	S	29.3	Very low	30.1	Very low	94 Å²	94	140.3 Å²	140.3	66%	0.657	78%	0.78	S	S	*	*			trans	-154.5	111.1	176.2	58.6	0	0	0	0	111.1
1037	S	30	Very low	30.3	Very low	116 Å²	116	145.8 Å²	145.8	81%	0.811	79%	0.791	S	S	*	*			trans	-148.9	124	168.1	51.8	0	0	0	0	108
1038	P	38.1	Very low	30.1	Very low	111 Å²	111	145.5 Å²	145.5	72%	0.721	79%	0.793	S	S	*	*			trans	-115.4	174.8	-159.9	43.1	-35.5	0	0	0	115.7
1039	D	30.3	Very low	30.1	Very low	143 Å²	143	145.5 Å²	145.5	77%	0.765	79%	0.793	S	S	*	*			trans	53.4	127.4	154.3	-57	-38.6	0	0	0	119.9
1040	T	31.6	Very low	30.1	Very low	122 Å²	122	147.6 Å²	147.6	75%	0.748	80%	0.796	S	S	*	*				-166.6	122	81	-69.6	0	0	0	0	113.4
1041	L	29.8	Very low	29.8	Very low	150 Å²	150	149 Å²	149	79%	0.785	80%	0.796	S	S	*	*			trans	34.8	130.1	145.1	-47.8	174.4	0	0	0	120.5
1042	L	30.8	Very low	30.4	Very low	140 Å²	140	147.6 Å²	147.6	73%	0.733	79%	0.785	S	S	*	*				-173.4	139.3	76.3	-89.7	168.5	0	0	0	114.5
1043	R	29.7	Very low	30.5	Very low	217 Å²	217	149 Å²	149	82%	0.819	79%	0.786	S	S	*	*			trans	49.8	119.5	151.7	-59.9	174.8	-179.4	-175.8	-0.3	119.9
1044	L	29.8	Very low	30.3	Very low	162 Å²	162	144.7 Å²	144.7	85%	0.848	78%	0.78	S	S	*	*				69.8	146.9	52.9	-61.9	171.4	0	0	0	115.6
1045	P	38.2	Very low	30.5	Very low	102 Å²	102	144.6 Å²	144.6	66%	0.662	79%	0.786	S	S	*	*				-146.5	-179.3	-56.7	40.9	-21.8	0	0	0	115.3
1046	K	27.2	Very low	30.5	Very low	197 Å²	197	143.1 Å²	143.1	86%	0.857	77%	0.774	S	S	*	*			trans	41.8	122.7	149	-70.4	175.7	178.8	-178.3	0	121.2
1047	K	30.2	Very low	30.6	Very low	216 Å²	216	147.7 Å²	147.7	94%	0.939	78%	0.783	S	S	*	*				-173.1	164.8	112.1	-106.7	176.4	-178.2	-177.6	0	113.4
1048	S	26.4	Very low	30.6	Very low	101 Å²	101	146.7 Å²	146.7	71%	0.706	78%	0.776	S	S	*	*			trans	-106.9	160.2	174.5	52.2	0	0	0	0	111.4
1049	T	28.9	Very low	30.5	Very low	130 Å²	130	152.8 Å²	152.8	80%	0.798	78%	0.784	S	S	*	*				178.5	135.9	123.3	33.1	0	0	0	0	114.3
1050	V	29.1	Very low	30.8	Very low	137 Å²	137	155.3 Å²	155.3	83%	0.83	81%	0.813	S	S	*	*			trans	79.7	133.4	135.9	172.7	0	0	0	0	121.5
1051	L	25.1	Very low	30.7	Very low	156 Å²	156	157 Å²	157	82%	0.817	82%	0.816	S	S	*	*			trans	-90.7	-167	171.4	-77.4	118.8	0	0	0	111.3
1052	P	39.3	Very low	30.8	Very low	102 Å²	102	157.3 Å²	157.3	66%	0.662	82%	0.818	S	S	*	*			cis	-129.1	175.1	-38.8	26.7	-7.1	0	0	0	112.9
1053	K	29	Very low	30.8	Very low	186 Å²	186	158.3 Å²	158.3	81%	0.809	82%	0.823	S	S	*	*				169.7	141.8	115.3	-93.8	178.3	179.7	-178.6	0	115.2
1054	L	25.9	Very low	30.8	Very low	149 Å²	149	154.8 Å²	154.8	78%	0.78	82%	0.823	S	S	*	*			trans	1.2	138.7	146	-67.3	147.6	0	0	0	120
1055	I	31.2	Very low	30.9	Very low	171 Å²	171	154.4 Å²	154.4	88%	0.877	82%	0.821	S	S	*	*				-164.7	154.6	113.6	-98.8	156.5	0	0	0	110.1
1056	T	30.7	Very low	30.4	Very low	104 Å²	104	157.9 Å²	157.9	64%	0.638	83%	0.832	S	S	*	*			trans	-109.3	146.3	-179.5	42.9	0	0	0	0	112.3
1057	F	31.2	Very low	30.6	Very low	190 Å²	190	155.1 Å²	155.1	83%	0.833	83%	0.83	S	S	*	*				165	135.1	117.3	-103.1	-81.1	0	0	0	115
1058	S	31.3	Very low	30.7	Very low	95 Å²	95	150.4 Å²	150.4	66%	0.664	82%	0.822	S	S	*	*			trans	13.6	130.9	152.4	63.2	0	0	0	0	122.4
1059	R	35.7	Very low	31	Very low	238 Å²	238	154.5 Å²	154.5	90%	0.898	83%	0.831	S	S	*	*				-172.1	166	97.6	-108.3	-179.2	171	175.6	-2.8	111.9
1060	S	35.2	Very low	31.2	Very low	196 Å²	196	156.7 Å²	156.7	100%	1.371	84%	0.835	S	S	*	*			trans	63.4	0	-169.5	76.3	0	0	0	0	114.5

Retrieved 1,060 of 1,060 residues in 1215.8 ms (Link to these results)

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